data_9EQS
# 
_entry.id   9EQS 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9EQS         pdb_00009eqs 10.2210/pdb9eqs/pdb 
WWPDB D_1292137433 ?            ?                   
# 
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 2025-04-02 ? 
2 'Structure model' 1 1 2025-04-23 ? 
3 'Structure model' 1 2 2025-05-14 ? 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
# 
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.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_CSD'          
4  2 'Structure model' '_citation.journal_id_ISSN'         
5  2 'Structure model' '_citation.pdbx_database_id_DOI'    
6  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
7  2 'Structure model' '_citation.title'                   
8  2 'Structure model' '_citation.year'                    
9  2 'Structure model' '_citation_author.identifier_ORCID' 
10 2 'Structure model' '_citation_author.name'             
11 3 'Structure model' '_citation.journal_volume'          
12 3 'Structure model' '_citation.page_first'              
13 3 'Structure model' '_citation.page_last'               
14 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EQS 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
5 robin.owen@diamond.ac.uk    Robin   Owen  ? 'principal investigator/group leader' 0000-0002-2104-7057 
6 Michael.Hough@diamond.ac.uk Michael Hough ? 'principal investigator/group leader' 0000-0001-7377-6713 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Owen, R.L.'   1 ? 
'Hough, M.A.'  2 ? 
'Worrall, J.'  3 ? 
'Williams, L.' 4 ? 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Iucrj 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            12 
_citation.language                  ? 
_citation.page_first                358 
_citation.page_last                 371 
_citation.title                     
'Damage before destruction? X-ray-induced changes in single-pulse serial femtosecond crystallography.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1107/S2052252525002660 
_citation.pdbx_database_id_PubMed   40227256 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Williams, L.J.'     1  ? 
primary 'Thompson, A.J.'     2  ? 
primary 'Dijkstal, P.'       3  ? 
primary 'Appleby, M.'        4  ? 
primary 'Assmann, G.'        5  ? 
primary 'Dworkowski, F.S.N.' 6  ? 
primary 'Hiller, N.'         7  ? 
primary 'Huang, C.Y.'        8  ? 
primary 'Mason, T.'          9  ? 
primary 'Perrett, S.'        10 ? 
primary 'Prat, E.'           11 ? 
primary 'Voulot, D.'         12 ? 
primary 'Pedrini, B.'        13 ? 
primary 'Beale, J.H.'        14 ? 
primary 'Hough, M.A.'        15 ? 
primary 'Worrall, J.A.R.'    16 ? 
primary 'Owen, R.L.'         17 ? 
# 
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     nat 'Thaumatin I'        22228.043 1   ? ? ? ? 
2 non-polymer syn 'L(+)-TARTARIC ACID' 150.087   1   ? ? ? ? 
3 water       nat water                18.015    184 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        Thaumatin-1 
# 
_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       
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_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 'L(+)-TARTARIC ACID' TLA 
3 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   THR n 
1 3   PHE n 
1 4   GLU n 
1 5   ILE n 
1 6   VAL n 
1 7   ASN n 
1 8   ARG n 
1 9   CYS n 
1 10  SER n 
1 11  TYR n 
1 12  THR n 
1 13  VAL n 
1 14  TRP n 
1 15  ALA n 
1 16  ALA n 
1 17  ALA n 
1 18  SER n 
1 19  LYS n 
1 20  GLY n 
1 21  ASP n 
1 22  ALA n 
1 23  ALA n 
1 24  LEU n 
1 25  ASP n 
1 26  ALA n 
1 27  GLY n 
1 28  GLY n 
1 29  ARG n 
1 30  GLN n 
1 31  LEU n 
1 32  ASN n 
1 33  SER n 
1 34  GLY n 
1 35  GLU n 
1 36  SER n 
1 37  TRP n 
1 38  THR n 
1 39  ILE n 
1 40  ASN n 
1 41  VAL n 
1 42  GLU n 
1 43  PRO n 
1 44  GLY n 
1 45  THR n 
1 46  ASN n 
1 47  GLY n 
1 48  GLY n 
1 49  LYS n 
1 50  ILE n 
1 51  TRP n 
1 52  ALA n 
1 53  ARG n 
1 54  THR n 
1 55  ASP n 
1 56  CYS n 
1 57  TYR n 
1 58  PHE n 
1 59  ASP n 
1 60  ASP n 
1 61  SER n 
1 62  GLY n 
1 63  SER n 
1 64  GLY n 
1 65  ILE n 
1 66  CYS n 
1 67  LYS n 
1 68  THR n 
1 69  GLY n 
1 70  ASP n 
1 71  CYS n 
1 72  GLY n 
1 73  GLY n 
1 74  LEU n 
1 75  LEU n 
1 76  ARG n 
1 77  CYS n 
1 78  LYS n 
1 79  ARG n 
1 80  PHE n 
1 81  GLY n 
1 82  ARG n 
1 83  PRO n 
1 84  PRO n 
1 85  THR n 
1 86  THR n 
1 87  LEU n 
1 88  ALA n 
1 89  GLU n 
1 90  PHE n 
1 91  SER n 
1 92  LEU n 
1 93  ASN n 
1 94  GLN n 
1 95  TYR n 
1 96  GLY n 
1 97  LYS n 
1 98  ASP n 
1 99  TYR n 
1 100 ILE n 
1 101 ASP n 
1 102 ILE n 
1 103 SER n 
1 104 ASN n 
1 105 ILE n 
1 106 LYS n 
1 107 GLY n 
1 108 PHE n 
1 109 ASN n 
1 110 VAL n 
1 111 PRO n 
1 112 MET n 
1 113 ASP n 
1 114 PHE n 
1 115 SER n 
1 116 PRO n 
1 117 THR n 
1 118 THR n 
1 119 ARG n 
1 120 GLY n 
1 121 CYS n 
1 122 ARG n 
1 123 GLY n 
1 124 VAL n 
1 125 ARG n 
1 126 CYS n 
1 127 ALA n 
1 128 ALA n 
1 129 ASP n 
1 130 ILE n 
1 131 VAL n 
1 132 GLY n 
1 133 GLN n 
1 134 CYS n 
1 135 PRO n 
1 136 ALA n 
1 137 LYS n 
1 138 LEU n 
1 139 LYS n 
1 140 ALA n 
1 141 PRO n 
1 142 GLY n 
1 143 GLY n 
1 144 GLY n 
1 145 CYS n 
1 146 ASN n 
1 147 ASP n 
1 148 ALA n 
1 149 CYS n 
1 150 THR n 
1 151 VAL n 
1 152 PHE n 
1 153 GLN n 
1 154 THR n 
1 155 SER n 
1 156 GLU n 
1 157 TYR n 
1 158 CYS n 
1 159 CYS n 
1 160 THR n 
1 161 THR n 
1 162 GLY n 
1 163 LYS n 
1 164 CYS n 
1 165 GLY n 
1 166 PRO n 
1 167 THR n 
1 168 GLU n 
1 169 TYR n 
1 170 SER n 
1 171 ARG n 
1 172 PHE n 
1 173 PHE n 
1 174 LYS n 
1 175 ARG n 
1 176 LEU n 
1 177 CYS n 
1 178 PRO n 
1 179 ASP n 
1 180 ALA n 
1 181 PHE n 
1 182 SER n 
1 183 TYR n 
1 184 VAL n 
1 185 LEU n 
1 186 ASP n 
1 187 LYS n 
1 188 PRO n 
1 189 THR n 
1 190 THR n 
1 191 VAL n 
1 192 THR n 
1 193 CYS n 
1 194 PRO n 
1 195 GLY n 
1 196 SER n 
1 197 SER n 
1 198 ASN n 
1 199 TYR n 
1 200 ARG n 
1 201 VAL n 
1 202 THR n 
1 203 PHE n 
1 204 CYS n 
1 205 PRO n 
1 206 THR n 
1 207 ALA n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           207 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Thaumatococcus daniellii' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      4621 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE              ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE             ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE           ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'      ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE             ? 'C3 H7 N O2 S'   121.158 
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  
HOH non-polymer         . WATER                ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE           ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE              ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE               ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE           ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE        ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE              ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE               ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE            ? 'C4 H9 N O3'     119.119 
TLA non-polymer         . 'L(+)-TARTARIC ACID' ? 'C4 H6 O6'       150.087 
TRP 'L-peptide linking' y TRYPTOPHAN           ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE             ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE               ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ALA 1   1   1   ALA ALA A . n 
A 1 2   THR 2   2   2   THR THR A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLU 4   4   4   GLU GLU A . n 
A 1 5   ILE 5   5   5   ILE ILE A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   ASN 7   7   7   ASN ASN A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   CYS 9   9   9   CYS CYS A . n 
A 1 10  SER 10  10  10  SER SER A . n 
A 1 11  TYR 11  11  11  TYR TYR A . n 
A 1 12  THR 12  12  12  THR THR A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  TRP 14  14  14  TRP TRP A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  ALA 16  16  16  ALA ALA A . n 
A 1 17  ALA 17  17  17  ALA ALA A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  ASP 21  21  21  ASP ASP A . n 
A 1 22  ALA 22  22  22  ALA ALA A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  LEU 24  24  24  LEU LEU A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  GLY 28  28  28  GLY GLY A . n 
A 1 29  ARG 29  29  29  ARG ARG A . n 
A 1 30  GLN 30  30  30  GLN GLN A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  ASN 32  32  32  ASN ASN A . n 
A 1 33  SER 33  33  33  SER SER A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  TRP 37  37  37  TRP TRP A . n 
A 1 38  THR 38  38  38  THR THR A . n 
A 1 39  ILE 39  39  39  ILE ILE A . n 
A 1 40  ASN 40  40  40  ASN ASN A . n 
A 1 41  VAL 41  41  41  VAL VAL A . n 
A 1 42  GLU 42  42  42  GLU GLU A . n 
A 1 43  PRO 43  43  43  PRO PRO A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  THR 45  45  45  THR THR A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLY 47  47  47  GLY GLY A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  LYS 49  49  49  LYS LYS A . n 
A 1 50  ILE 50  50  50  ILE ILE A . n 
A 1 51  TRP 51  51  51  TRP TRP A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  ARG 53  53  53  ARG ARG A . n 
A 1 54  THR 54  54  54  THR THR A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  CYS 56  56  56  CYS CYS A . n 
A 1 57  TYR 57  57  57  TYR TYR A . n 
A 1 58  PHE 58  58  58  PHE PHE A . n 
A 1 59  ASP 59  59  59  ASP ASP A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  SER 61  61  61  SER SER A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  SER 63  63  63  SER SER A . n 
A 1 64  GLY 64  64  64  GLY GLY A . n 
A 1 65  ILE 65  65  65  ILE ILE A . n 
A 1 66  CYS 66  66  66  CYS CYS A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  GLY 69  69  69  GLY GLY A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  CYS 71  71  71  CYS CYS A . n 
A 1 72  GLY 72  72  72  GLY GLY A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  CYS 77  77  77  CYS CYS A . n 
A 1 78  LYS 78  78  78  LYS LYS A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  PHE 80  80  80  PHE PHE A . n 
A 1 81  GLY 81  81  81  GLY GLY A . n 
A 1 82  ARG 82  82  82  ARG ARG A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  PRO 84  84  84  PRO PRO A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  THR 86  86  86  THR THR A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  ALA 88  88  88  ALA ALA A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  PHE 90  90  90  PHE PHE A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  LEU 92  92  92  LEU LEU A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  GLN 94  94  94  GLN GLN A . n 
A 1 95  TYR 95  95  95  TYR TYR A . n 
A 1 96  GLY 96  96  96  GLY GLY A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ASP 98  98  98  ASP ASP A . n 
A 1 99  TYR 99  99  99  TYR TYR A . n 
A 1 100 ILE 100 100 100 ILE ILE A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 ASN 104 104 104 ASN ASN A . n 
A 1 105 ILE 105 105 105 ILE ILE A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 GLY 107 107 107 GLY GLY A . n 
A 1 108 PHE 108 108 108 PHE PHE A . n 
A 1 109 ASN 109 109 109 ASN ASN A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 PRO 111 111 111 PRO PRO A . n 
A 1 112 MET 112 112 112 MET MET A . n 
A 1 113 ASP 113 113 113 ASP ASP A . n 
A 1 114 PHE 114 114 114 PHE PHE A . n 
A 1 115 SER 115 115 115 SER SER A . n 
A 1 116 PRO 116 116 116 PRO PRO A . n 
A 1 117 THR 117 117 117 THR THR A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ARG 119 119 119 ARG ARG A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 CYS 121 121 121 CYS CYS A . n 
A 1 122 ARG 122 122 122 ARG ARG A . n 
A 1 123 GLY 123 123 123 GLY GLY A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 CYS 126 126 126 CYS CYS A . n 
A 1 127 ALA 127 127 127 ALA ALA A . n 
A 1 128 ALA 128 128 128 ALA ALA A . n 
A 1 129 ASP 129 129 129 ASP ASP A . n 
A 1 130 ILE 130 130 130 ILE ILE A . n 
A 1 131 VAL 131 131 131 VAL VAL A . n 
A 1 132 GLY 132 132 132 GLY GLY A . n 
A 1 133 GLN 133 133 133 GLN GLN A . n 
A 1 134 CYS 134 134 134 CYS CYS A . n 
A 1 135 PRO 135 135 135 PRO PRO A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 LYS 137 137 137 LYS LYS A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 GLY 142 142 142 GLY GLY A . n 
A 1 143 GLY 143 143 143 GLY GLY A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 CYS 145 145 145 CYS CYS A . n 
A 1 146 ASN 146 146 146 ASN ASN A . n 
A 1 147 ASP 147 147 147 ASP ASP A . n 
A 1 148 ALA 148 148 148 ALA ALA A . n 
A 1 149 CYS 149 149 149 CYS CYS A . n 
A 1 150 THR 150 150 150 THR THR A . n 
A 1 151 VAL 151 151 151 VAL VAL A . n 
A 1 152 PHE 152 152 152 PHE PHE A . n 
A 1 153 GLN 153 153 153 GLN GLN A . n 
A 1 154 THR 154 154 154 THR THR A . n 
A 1 155 SER 155 155 155 SER SER A . n 
A 1 156 GLU 156 156 156 GLU GLU A . n 
A 1 157 TYR 157 157 157 TYR TYR A . n 
A 1 158 CYS 158 158 158 CYS CYS A . n 
A 1 159 CYS 159 159 159 CYS CYS A . n 
A 1 160 THR 160 160 160 THR THR A . n 
A 1 161 THR 161 161 161 THR THR A . n 
A 1 162 GLY 162 162 162 GLY GLY A . n 
A 1 163 LYS 163 163 163 LYS LYS A . n 
A 1 164 CYS 164 164 164 CYS CYS A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 PRO 166 166 166 PRO PRO A . n 
A 1 167 THR 167 167 167 THR THR A . n 
A 1 168 GLU 168 168 168 GLU GLU A . n 
A 1 169 TYR 169 169 169 TYR TYR A . n 
A 1 170 SER 170 170 170 SER SER A . n 
A 1 171 ARG 171 171 171 ARG ARG A . n 
A 1 172 PHE 172 172 172 PHE PHE A . n 
A 1 173 PHE 173 173 173 PHE PHE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ARG 175 175 175 ARG ARG A . n 
A 1 176 LEU 176 176 176 LEU LEU A . n 
A 1 177 CYS 177 177 177 CYS CYS A . n 
A 1 178 PRO 178 178 178 PRO PRO A . n 
A 1 179 ASP 179 179 179 ASP ASP A . n 
A 1 180 ALA 180 180 180 ALA ALA A . n 
A 1 181 PHE 181 181 181 PHE PHE A . n 
A 1 182 SER 182 182 182 SER SER A . n 
A 1 183 TYR 183 183 183 TYR TYR A . n 
A 1 184 VAL 184 184 184 VAL VAL A . n 
A 1 185 LEU 185 185 185 LEU LEU A . n 
A 1 186 ASP 186 186 186 ASP ASP A . n 
A 1 187 LYS 187 187 187 LYS LYS A . n 
A 1 188 PRO 188 188 188 PRO PRO A . n 
A 1 189 THR 189 189 189 THR THR A . n 
A 1 190 THR 190 190 190 THR THR A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 THR 192 192 192 THR THR A . n 
A 1 193 CYS 193 193 193 CYS CYS A . n 
A 1 194 PRO 194 194 194 PRO PRO A . n 
A 1 195 GLY 195 195 195 GLY GLY A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 SER 197 197 197 SER SER A . n 
A 1 198 ASN 198 198 198 ASN ASN A . n 
A 1 199 TYR 199 199 199 TYR TYR A . n 
A 1 200 ARG 200 200 200 ARG ARG A . n 
A 1 201 VAL 201 201 201 VAL VAL A . n 
A 1 202 THR 202 202 202 THR THR A . n 
A 1 203 PHE 203 203 203 PHE PHE A . n 
A 1 204 CYS 204 204 204 CYS CYS A . n 
A 1 205 PRO 205 205 205 PRO PRO A . n 
A 1 206 THR 206 206 206 THR THR A . n 
A 1 207 ALA 207 207 ?   ?   ?   A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 TLA 1   301 301 TLA TLA A . 
C 3 HOH 1   401 401 HOH HOH A . 
C 3 HOH 2   402 402 HOH HOH A . 
C 3 HOH 3   403 403 HOH HOH A . 
C 3 HOH 4   404 405 HOH HOH A . 
C 3 HOH 5   405 404 HOH HOH A . 
C 3 HOH 6   406 408 HOH HOH A . 
C 3 HOH 7   407 406 HOH HOH A . 
C 3 HOH 8   408 407 HOH HOH A . 
C 3 HOH 9   409 409 HOH HOH A . 
C 3 HOH 10  410 410 HOH HOH A . 
C 3 HOH 11  411 411 HOH HOH A . 
C 3 HOH 12  412 414 HOH HOH A . 
C 3 HOH 13  413 412 HOH HOH A . 
C 3 HOH 14  414 413 HOH HOH A . 
C 3 HOH 15  415 415 HOH HOH A . 
C 3 HOH 16  416 417 HOH HOH A . 
C 3 HOH 17  417 418 HOH HOH A . 
C 3 HOH 18  418 419 HOH HOH A . 
C 3 HOH 19  419 420 HOH HOH A . 
C 3 HOH 20  420 423 HOH HOH A . 
C 3 HOH 21  421 421 HOH HOH A . 
C 3 HOH 22  422 422 HOH HOH A . 
C 3 HOH 23  423 424 HOH HOH A . 
C 3 HOH 24  424 416 HOH HOH A . 
C 3 HOH 25  425 428 HOH HOH A . 
C 3 HOH 26  426 427 HOH HOH A . 
C 3 HOH 27  427 426 HOH HOH A . 
C 3 HOH 28  428 425 HOH HOH A . 
C 3 HOH 29  429 429 HOH HOH A . 
C 3 HOH 30  430 431 HOH HOH A . 
C 3 HOH 31  431 430 HOH HOH A . 
C 3 HOH 32  432 434 HOH HOH A . 
C 3 HOH 33  433 448 HOH HOH A . 
C 3 HOH 34  434 432 HOH HOH A . 
C 3 HOH 35  435 437 HOH HOH A . 
C 3 HOH 36  436 435 HOH HOH A . 
C 3 HOH 37  437 433 HOH HOH A . 
C 3 HOH 38  438 436 HOH HOH A . 
C 3 HOH 39  439 438 HOH HOH A . 
C 3 HOH 40  440 439 HOH HOH A . 
C 3 HOH 41  441 440 HOH HOH A . 
C 3 HOH 42  442 442 HOH HOH A . 
C 3 HOH 43  443 441 HOH HOH A . 
C 3 HOH 44  444 445 HOH HOH A . 
C 3 HOH 45  445 443 HOH HOH A . 
C 3 HOH 46  446 450 HOH HOH A . 
C 3 HOH 47  447 446 HOH HOH A . 
C 3 HOH 48  448 449 HOH HOH A . 
C 3 HOH 49  449 497 HOH HOH A . 
C 3 HOH 50  450 444 HOH HOH A . 
C 3 HOH 51  451 447 HOH HOH A . 
C 3 HOH 52  452 451 HOH HOH A . 
C 3 HOH 53  453 452 HOH HOH A . 
C 3 HOH 54  454 453 HOH HOH A . 
C 3 HOH 55  455 454 HOH HOH A . 
C 3 HOH 56  456 457 HOH HOH A . 
C 3 HOH 57  457 455 HOH HOH A . 
C 3 HOH 58  458 458 HOH HOH A . 
C 3 HOH 59  459 456 HOH HOH A . 
C 3 HOH 60  460 461 HOH HOH A . 
C 3 HOH 61  461 460 HOH HOH A . 
C 3 HOH 62  462 459 HOH HOH A . 
C 3 HOH 63  463 462 HOH HOH A . 
C 3 HOH 64  464 463 HOH HOH A . 
C 3 HOH 65  465 467 HOH HOH A . 
C 3 HOH 66  466 466 HOH HOH A . 
C 3 HOH 67  467 465 HOH HOH A . 
C 3 HOH 68  468 464 HOH HOH A . 
C 3 HOH 69  469 472 HOH HOH A . 
C 3 HOH 70  470 468 HOH HOH A . 
C 3 HOH 71  471 470 HOH HOH A . 
C 3 HOH 72  472 471 HOH HOH A . 
C 3 HOH 73  473 480 HOH HOH A . 
C 3 HOH 74  474 469 HOH HOH A . 
C 3 HOH 75  475 474 HOH HOH A . 
C 3 HOH 76  476 473 HOH HOH A . 
C 3 HOH 77  477 478 HOH HOH A . 
C 3 HOH 78  478 476 HOH HOH A . 
C 3 HOH 79  479 479 HOH HOH A . 
C 3 HOH 80  480 477 HOH HOH A . 
C 3 HOH 81  481 481 HOH HOH A . 
C 3 HOH 82  482 475 HOH HOH A . 
C 3 HOH 83  483 482 HOH HOH A . 
C 3 HOH 84  484 484 HOH HOH A . 
C 3 HOH 85  485 486 HOH HOH A . 
C 3 HOH 86  486 488 HOH HOH A . 
C 3 HOH 87  487 485 HOH HOH A . 
C 3 HOH 88  488 487 HOH HOH A . 
C 3 HOH 89  489 489 HOH HOH A . 
C 3 HOH 90  490 490 HOH HOH A . 
C 3 HOH 91  491 492 HOH HOH A . 
C 3 HOH 92  492 493 HOH HOH A . 
C 3 HOH 93  493 494 HOH HOH A . 
C 3 HOH 94  494 491 HOH HOH A . 
C 3 HOH 95  495 496 HOH HOH A . 
C 3 HOH 96  496 498 HOH HOH A . 
C 3 HOH 97  497 495 HOH HOH A . 
C 3 HOH 98  498 501 HOH HOH A . 
C 3 HOH 99  499 500 HOH HOH A . 
C 3 HOH 100 500 499 HOH HOH A . 
C 3 HOH 101 501 505 HOH HOH A . 
C 3 HOH 102 502 503 HOH HOH A . 
C 3 HOH 103 503 502 HOH HOH A . 
C 3 HOH 104 504 504 HOH HOH A . 
C 3 HOH 105 505 508 HOH HOH A . 
C 3 HOH 106 506 509 HOH HOH A . 
C 3 HOH 107 507 506 HOH HOH A . 
C 3 HOH 108 508 511 HOH HOH A . 
C 3 HOH 109 509 507 HOH HOH A . 
C 3 HOH 110 510 483 HOH HOH A . 
C 3 HOH 111 511 513 HOH HOH A . 
C 3 HOH 112 512 512 HOH HOH A . 
C 3 HOH 113 513 514 HOH HOH A . 
C 3 HOH 114 514 510 HOH HOH A . 
C 3 HOH 115 515 516 HOH HOH A . 
C 3 HOH 116 516 517 HOH HOH A . 
C 3 HOH 117 517 515 HOH HOH A . 
C 3 HOH 118 518 520 HOH HOH A . 
C 3 HOH 119 519 518 HOH HOH A . 
C 3 HOH 120 520 522 HOH HOH A . 
C 3 HOH 121 521 521 HOH HOH A . 
C 3 HOH 122 522 519 HOH HOH A . 
C 3 HOH 123 523 523 HOH HOH A . 
C 3 HOH 124 524 524 HOH HOH A . 
C 3 HOH 125 525 525 HOH HOH A . 
C 3 HOH 126 526 549 HOH HOH A . 
C 3 HOH 127 527 527 HOH HOH A . 
C 3 HOH 128 528 529 HOH HOH A . 
C 3 HOH 129 529 528 HOH HOH A . 
C 3 HOH 130 530 531 HOH HOH A . 
C 3 HOH 131 531 526 HOH HOH A . 
C 3 HOH 132 532 530 HOH HOH A . 
C 3 HOH 133 533 532 HOH HOH A . 
C 3 HOH 134 534 533 HOH HOH A . 
C 3 HOH 135 535 534 HOH HOH A . 
C 3 HOH 136 536 536 HOH HOH A . 
C 3 HOH 137 537 537 HOH HOH A . 
C 3 HOH 138 538 535 HOH HOH A . 
C 3 HOH 139 539 539 HOH HOH A . 
C 3 HOH 140 540 538 HOH HOH A . 
C 3 HOH 141 541 540 HOH HOH A . 
C 3 HOH 142 542 541 HOH HOH A . 
C 3 HOH 143 543 542 HOH HOH A . 
C 3 HOH 144 544 543 HOH HOH A . 
C 3 HOH 145 545 544 HOH HOH A . 
C 3 HOH 146 546 545 HOH HOH A . 
C 3 HOH 147 547 546 HOH HOH A . 
C 3 HOH 148 548 548 HOH HOH A . 
C 3 HOH 149 549 547 HOH HOH A . 
C 3 HOH 150 550 550 HOH HOH A . 
C 3 HOH 151 551 553 HOH HOH A . 
C 3 HOH 152 552 551 HOH HOH A . 
C 3 HOH 153 553 552 HOH HOH A . 
C 3 HOH 154 554 554 HOH HOH A . 
C 3 HOH 155 555 555 HOH HOH A . 
C 3 HOH 156 556 556 HOH HOH A . 
C 3 HOH 157 557 557 HOH HOH A . 
C 3 HOH 158 558 558 HOH HOH A . 
C 3 HOH 159 559 559 HOH HOH A . 
C 3 HOH 160 560 560 HOH HOH A . 
C 3 HOH 161 561 561 HOH HOH A . 
C 3 HOH 162 562 562 HOH HOH A . 
C 3 HOH 163 563 563 HOH HOH A . 
C 3 HOH 164 564 564 HOH HOH A . 
C 3 HOH 165 565 565 HOH HOH A . 
C 3 HOH 166 566 566 HOH HOH A . 
C 3 HOH 167 567 568 HOH HOH A . 
C 3 HOH 168 568 567 HOH HOH A . 
C 3 HOH 169 569 569 HOH HOH A . 
C 3 HOH 170 570 570 HOH HOH A . 
C 3 HOH 171 571 571 HOH HOH A . 
C 3 HOH 172 572 572 HOH HOH A . 
C 3 HOH 173 573 573 HOH HOH A . 
C 3 HOH 174 574 574 HOH HOH A . 
C 3 HOH 175 575 575 HOH HOH A . 
C 3 HOH 176 576 576 HOH HOH A . 
C 3 HOH 177 577 577 HOH HOH A . 
C 3 HOH 178 578 578 HOH HOH A . 
C 3 HOH 179 579 579 HOH HOH A . 
C 3 HOH 180 580 580 HOH HOH A . 
C 3 HOH 181 581 581 HOH HOH A . 
C 3 HOH 182 582 582 HOH HOH A . 
C 3 HOH 183 583 583 HOH HOH A . 
C 3 HOH 184 584 584 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 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EQS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     58.500 
_cell.length_a_esd                 ? 
_cell.length_b                     58.500 
_cell.length_b_esd                 ? 
_cell.length_c                     151.250 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9EQS 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9EQS 
_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             2.91 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.75 
_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          'BATCH MODE' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    
;100 mg of thaumatin (Sigma-T7638) was dissolved in 1 ml of MiniQ water, reaching a concentration of 100 mg/ml with solutions vortexed to ensure complete dissolution. Subsequently, 200 uL of the thaumatin solution was mixed with 200 ul of 1.6 M (Na, K, tartrate) crystallization solution
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_diffrn.ambient_temp_details             'room temperature' 
_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   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'PSI JUNGFRAU 8M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-09-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0306 
_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                      'FREE ELECTRON LASER' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SwissFEL ARAMIS BEAMLINE ESC' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0306 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ESC 
_diffrn_source.pdbx_synchrotron_site       'SwissFEL ARAMIS' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EQS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.46 
_reflns.d_resolution_low                               32 
_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                                     46664 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                69.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          2.58 
_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                                   0.832 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.348 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    1.47 
_reflns_shell.d_res_low                                     1.50 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2257 
_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                               ? 
_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                                  0.329 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  1.280 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_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]                            0.346 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.346 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.693 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               19.727 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.941 
_refine.correlation_coeff_Fo_to_Fc_free          0.912 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9EQS 
_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                            1.460 
_refine.ls_d_res_low                             32.000 
_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                     46553 
_refine.ls_number_reflns_R_free                  2345 
_refine.ls_number_reflns_R_work                  44208 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.948 
_refine.ls_percent_reflns_R_free                 5.037 
_refine.ls_R_factor_all                          0.213 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2430 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2117 
_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                      0.255 
_refine.ls_wR_factor_R_work                      0.227 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_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               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.069 
_refine.pdbx_overall_ESU_R_Free                  0.073 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_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                             1.679 
_refine.overall_SU_ML                            0.061 
_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                    0.9595 
_refine.pdbx_average_fsc_free                    0.9510 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.460 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             184 
_refine_hist.number_atoms_total               1739 
_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        1545 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_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' ? 0.009  0.012  1659 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.016  1478 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.597  1.810  2270 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.574  1.759  3434 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.788  5.000  225  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 8.256  5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.637 10.000 255  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.666 10.000 71   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  242  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  2033 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  405  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.212  0.200  264  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  1309 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.184  0.200  831  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  892  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.260  0.200  120  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.142  0.200  6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  43   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.157  0.200  11   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.812  1.893  843  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.787  1.891  843  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.637  3.399  1057 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.654  3.401  1058 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.677  2.199  816  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.679  2.200  815  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.138  3.887  1203 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.138  3.887  1203 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.909  21.090 1851 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.563  19.521 1810 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.460 1.498  3362 . 166 3196 100.0000 . 0.348 . . 0.347 . . . . . 0.347 . 20 . 0.904 0.890 0.365 
'X-RAY DIFFRACTION' 1.498 1.539  3297 . 171 3126 100.0000 . 0.319 . . 0.318 . . . . . 0.314 . 20 . 0.922 0.917 0.324 
'X-RAY DIFFRACTION' 1.539 1.583  3200 . 155 3045 100.0000 . 0.284 . . 0.284 . . . . . 0.280 . 20 . 0.938 0.941 0.296 
'X-RAY DIFFRACTION' 1.583 1.632  3104 . 148 2955 99.9678  . 0.266 . . 0.266 . . . . . 0.261 . 20 . 0.948 0.948 0.282 
'X-RAY DIFFRACTION' 1.632 1.685  3008 . 161 2847 100.0000 . 0.239 . . 0.237 . . . . . 0.235 . 20 . 0.959 0.944 0.270 
'X-RAY DIFFRACTION' 1.685 1.744  2940 . 175 2765 100.0000 . 0.216 . . 0.215 . . . . . 0.211 . 20 . 0.966 0.957 0.240 
'X-RAY DIFFRACTION' 1.744 1.810  2823 . 143 2679 99.9646  . 0.203 . . 0.202 . . . . . 0.198 . 20 . 0.971 0.958 0.232 
'X-RAY DIFFRACTION' 1.810 1.884  2752 . 133 2619 100.0000 . 0.196 . . 0.195 . . . . . 0.193 . 20 . 0.973 0.966 0.229 
'X-RAY DIFFRACTION' 1.884 1.967  2607 . 123 2484 100.0000 . 0.189 . . 0.187 . . . . . 0.188 . 20 . 0.976 0.971 0.214 
'X-RAY DIFFRACTION' 1.967 2.063  2514 . 115 2399 100.0000 . 0.176 . . 0.175 . . . . . 0.181 . 20 . 0.980 0.975 0.189 
'X-RAY DIFFRACTION' 2.063 2.174  2423 . 131 2292 100.0000 . 0.177 . . 0.177 . . . . . 0.183 . 20 . 0.979 0.978 0.192 
'X-RAY DIFFRACTION' 2.174 2.305  2259 . 97  2162 100.0000 . 0.175 . . 0.174 . . . . . 0.183 . 20 . 0.981 0.979 0.188 
'X-RAY DIFFRACTION' 2.305 2.463  2167 . 103 2064 100.0000 . 0.180 . . 0.178 . . . . . 0.192 . 20 . 0.979 0.973 0.203 
'X-RAY DIFFRACTION' 2.463 2.659  2018 . 115 1903 100.0000 . 0.188 . . 0.186 . . . . . 0.200 . 20 . 0.977 0.964 0.222 
'X-RAY DIFFRACTION' 2.659 2.911  1858 . 90  1768 100.0000 . 0.195 . . 0.192 . . . . . 0.215 . 20 . 0.973 0.941 0.237 
'X-RAY DIFFRACTION' 2.911 3.251  1703 . 80  1623 100.0000 . 0.196 . . 0.194 . . . . . 0.218 . 20 . 0.975 0.960 0.240 
'X-RAY DIFFRACTION' 3.251 3.748  1514 . 90  1424 100.0000 . 0.201 . . 0.200 . . . . . 0.229 . 20 . 0.975 0.972 0.209 
'X-RAY DIFFRACTION' 3.748 4.574  1313 . 57  1256 100.0000 . 0.197 . . 0.197 . . . . . 0.214 . 20 . 0.971 0.966 0.199 
'X-RAY DIFFRACTION' 4.574 6.404  1047 . 52  995  100.0000 . 0.260 . . 0.256 . . . . . 0.292 . 20 . 0.958 0.912 0.326 
'X-RAY DIFFRACTION' 6.404 32.000 661  . 40  606  97.7307  . 0.399 . . 0.393 . . . . . 0.727 . 20 . 0.924 0.932 0.501 
# 
_struct.entry_id                     9EQS 
_struct.title                        '8fs pulse duration 100uJ pulse energy thaumatin' 
_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        9EQS 
_struct_keywords.text            'radiation damage, XFEL, pulse duration and intensity, disulphides, PLANT PROTEIN' 
_struct_keywords.pdbx_keywords   'PLANT PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    THM1_THADA 
_struct_ref.pdbx_db_accession          P02883 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_struct_ref.pdbx_align_begin           23 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9EQS 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 207 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02883 
_struct_ref_seq.db_align_beg                  23 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  229 
_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       207 
# 
_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 
# 
_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 ASP A 129 ? CYS A 134 ? ASP A 129 CYS A 134 1 ? 6  
HELX_P HELX_P2 AA2 PRO A 135 ? LYS A 139 ? PRO A 135 LYS A 139 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 147 ? GLN A 153 ? ASP A 147 GLN A 153 1 ? 7  
HELX_P HELX_P4 AA4 THR A 154 ? CYS A 159 ? THR A 154 CYS A 159 1 ? 6  
HELX_P HELX_P5 AA5 THR A 167 ? CYS A 177 ? THR A 167 CYS A 177 1 ? 11 
# 
_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 
disulf1 disulf ? ? A CYS 9   SG ? ? ? 1_555 A CYS 204 SG ? ? A CYS 9   A CYS 204 1_555 ? ? ? ? ? ? ? 2.001 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.027 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.026 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 1.990 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.048 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 2.011 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.944 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 9   ? CYS A 204 ? CYS A 9   ? 1_555 CYS A 204 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 56  ? CYS A 66  ? CYS A 56  ? 1_555 CYS A 66  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 71  ? CYS A 77  ? CYS A 71  ? 1_555 CYS A 77  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 121 ? CYS A 193 ? CYS A 121 ? 1_555 CYS A 193 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 126 ? CYS A 177 ? CYS A 126 ? 1_555 CYS A 177 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 134 ? CYS A 145 ? CYS A 134 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
7 CYS A 149 ? CYS A 158 ? CYS A 149 ? 1_555 CYS A 158 ? 1_555 SG SG . . . None 'Disulfide bridge' 
8 CYS A 159 A CYS A 164 ? CYS A 159 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
9 CYS A 159 B CYS A 164 ? CYS A 159 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           83 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           PRO 
_struct_mon_prot_cis.auth_seq_id            83 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    84 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     84 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       5.38 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
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 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? parallel      
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-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 SER A 36  ? ASN A 40  ? SER A 36  ASN A 40  
AA1 2 THR A 2   ? ASN A 7   ? THR A 2   ASN A 7   
AA1 3 TYR A 199 ? PHE A 203 ? TYR A 199 PHE A 203 
AA1 4 MET A 112 ? PRO A 116 ? MET A 112 PRO A 116 
AA1 5 VAL A 124 ? CYS A 126 ? VAL A 124 CYS A 126 
AA2 1 ALA A 23  ? LEU A 31  ? ALA A 23  LEU A 31  
AA2 2 VAL A 13  ? SER A 18  ? VAL A 13  SER A 18  
AA2 3 GLY A 48  ? PHE A 58  ? GLY A 48  PHE A 58  
AA2 4 LEU A 87  ? GLN A 94  ? LEU A 87  GLN A 94  
AA2 5 LYS A 97  ? SER A 103 ? LYS A 97  SER A 103 
AA2 6 ALA A 180 ? PHE A 181 ? ALA A 180 PHE A 181 
AA3 1 GLY A 64  ? THR A 68  ? GLY A 64  THR A 68  
AA3 2 GLY A 48  ? PHE A 58  ? GLY A 48  PHE A 58  
AA3 3 LEU A 87  ? GLN A 94  ? LEU A 87  GLN A 94  
AA3 4 LYS A 97  ? SER A 103 ? LYS A 97  SER A 103 
AA3 5 VAL A 191 ? PRO A 194 ? VAL A 191 PRO A 194 
# 
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 O TRP A 37  ? O TRP A 37  N ILE A 5   ? N ILE A 5   
AA1 2 3 N VAL A 6   ? N VAL A 6   O VAL A 201 ? O VAL A 201 
AA1 3 4 O ARG A 200 ? O ARG A 200 N SER A 115 ? N SER A 115 
AA1 4 5 N PHE A 114 ? N PHE A 114 O VAL A 124 ? O VAL A 124 
AA2 1 2 O LEU A 31  ? O LEU A 31  N VAL A 13  ? N VAL A 13  
AA2 2 3 N TRP A 14  ? N TRP A 14  O ARG A 53  ? O ARG A 53  
AA2 3 4 N GLY A 48  ? N GLY A 48  O PHE A 90  ? O PHE A 90  
AA2 4 5 N GLN A 94  ? N GLN A 94  O LYS A 97  ? O LYS A 97  
AA2 5 6 N ILE A 102 ? N ILE A 102 O PHE A 181 ? O PHE A 181 
AA3 1 2 O ILE A 65  ? O ILE A 65  N TYR A 57  ? N TYR A 57  
AA3 2 3 N GLY A 48  ? N GLY A 48  O PHE A 90  ? O PHE A 90  
AA3 3 4 N GLN A 94  ? N GLN A 94  O LYS A 97  ? O LYS A 97  
AA3 4 5 N ILE A 100 ? N ILE A 100 O VAL A 191 ? O VAL A 191 
# 
_pdbx_entry_details.entry_id                   9EQS 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 523 ? ? O A HOH 529 ? ? 2.04 
2 1 O A HOH 479 ? ? O A HOH 492 ? ? 2.13 
3 1 O A HOH 498 ? ? O A HOH 556 ? ? 2.18 
4 1 O A HOH 401 ? ? O A HOH 553 ? ? 2.19 
# 
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 ASP A 25  ? ? 57.73   -138.12 
2 1 CYS A 71  ? ? -115.17 70.01   
3 1 SER A 196 ? ? 71.80   31.03   
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 76  ? ? 0.077 'SIDE CHAIN' 
2 1 ARG A 119 ? ? 0.072 'SIDE CHAIN' 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     ALA 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      207 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    ALA 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     207 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HOH O    O N N 137 
HOH H1   H N N 138 
HOH H2   H N N 139 
ILE N    N N N 140 
ILE CA   C N S 141 
ILE C    C N N 142 
ILE O    O N N 143 
ILE CB   C N S 144 
ILE CG1  C N N 145 
ILE CG2  C N N 146 
ILE CD1  C N N 147 
ILE OXT  O N N 148 
ILE H    H N N 149 
ILE H2   H N N 150 
ILE HA   H N N 151 
ILE HB   H N N 152 
ILE HG12 H N N 153 
ILE HG13 H N N 154 
ILE HG21 H N N 155 
ILE HG22 H N N 156 
ILE HG23 H N N 157 
ILE HD11 H N N 158 
ILE HD12 H N N 159 
ILE HD13 H N N 160 
ILE HXT  H N N 161 
LEU N    N N N 162 
LEU CA   C N S 163 
LEU C    C N N 164 
LEU O    O N N 165 
LEU CB   C N N 166 
LEU CG   C N N 167 
LEU CD1  C N N 168 
LEU CD2  C N N 169 
LEU OXT  O N N 170 
LEU H    H N N 171 
LEU H2   H N N 172 
LEU HA   H N N 173 
LEU HB2  H N N 174 
LEU HB3  H N N 175 
LEU HG   H N N 176 
LEU HD11 H N N 177 
LEU HD12 H N N 178 
LEU HD13 H N N 179 
LEU HD21 H N N 180 
LEU HD22 H N N 181 
LEU HD23 H N N 182 
LEU HXT  H N N 183 
LYS N    N N N 184 
LYS CA   C N S 185 
LYS C    C N N 186 
LYS O    O N N 187 
LYS CB   C N N 188 
LYS CG   C N N 189 
LYS CD   C N N 190 
LYS CE   C N N 191 
LYS NZ   N N N 192 
LYS OXT  O N N 193 
LYS H    H N N 194 
LYS H2   H N N 195 
LYS HA   H N N 196 
LYS HB2  H N N 197 
LYS HB3  H N N 198 
LYS HG2  H N N 199 
LYS HG3  H N N 200 
LYS HD2  H N N 201 
LYS HD3  H N N 202 
LYS HE2  H N N 203 
LYS HE3  H N N 204 
LYS HZ1  H N N 205 
LYS HZ2  H N N 206 
LYS HZ3  H N N 207 
LYS HXT  H N N 208 
MET N    N N N 209 
MET CA   C N S 210 
MET C    C N N 211 
MET O    O N N 212 
MET CB   C N N 213 
MET CG   C N N 214 
MET SD   S N N 215 
MET CE   C N N 216 
MET OXT  O N N 217 
MET H    H N N 218 
MET H2   H N N 219 
MET HA   H N N 220 
MET HB2  H N N 221 
MET HB3  H N N 222 
MET HG2  H N N 223 
MET HG3  H N N 224 
MET HE1  H N N 225 
MET HE2  H N N 226 
MET HE3  H N N 227 
MET HXT  H N N 228 
PHE N    N N N 229 
PHE CA   C N S 230 
PHE C    C N N 231 
PHE O    O N N 232 
PHE CB   C N N 233 
PHE CG   C Y N 234 
PHE CD1  C Y N 235 
PHE CD2  C Y N 236 
PHE CE1  C Y N 237 
PHE CE2  C Y N 238 
PHE CZ   C Y N 239 
PHE OXT  O N N 240 
PHE H    H N N 241 
PHE H2   H N N 242 
PHE HA   H N N 243 
PHE HB2  H N N 244 
PHE HB3  H N N 245 
PHE HD1  H N N 246 
PHE HD2  H N N 247 
PHE HE1  H N N 248 
PHE HE2  H N N 249 
PHE HZ   H N N 250 
PHE HXT  H N N 251 
PRO N    N N N 252 
PRO CA   C N S 253 
PRO C    C N N 254 
PRO O    O N N 255 
PRO CB   C N N 256 
PRO CG   C N N 257 
PRO CD   C N N 258 
PRO OXT  O N N 259 
PRO H    H N N 260 
PRO HA   H N N 261 
PRO HB2  H N N 262 
PRO HB3  H N N 263 
PRO HG2  H N N 264 
PRO HG3  H N N 265 
PRO HD2  H N N 266 
PRO HD3  H N N 267 
PRO HXT  H N N 268 
SER N    N N N 269 
SER CA   C N S 270 
SER C    C N N 271 
SER O    O N N 272 
SER CB   C N N 273 
SER OG   O N N 274 
SER OXT  O N N 275 
SER H    H N N 276 
SER H2   H N N 277 
SER HA   H N N 278 
SER HB2  H N N 279 
SER HB3  H N N 280 
SER HG   H N N 281 
SER HXT  H N N 282 
THR N    N N N 283 
THR CA   C N S 284 
THR C    C N N 285 
THR O    O N N 286 
THR CB   C N R 287 
THR OG1  O N N 288 
THR CG2  C N N 289 
THR OXT  O N N 290 
THR H    H N N 291 
THR H2   H N N 292 
THR HA   H N N 293 
THR HB   H N N 294 
THR HG1  H N N 295 
THR HG21 H N N 296 
THR HG22 H N N 297 
THR HG23 H N N 298 
THR HXT  H N N 299 
TLA O1   O N N 300 
TLA O11  O N N 301 
TLA C1   C N N 302 
TLA C2   C N R 303 
TLA O2   O N N 304 
TLA C3   C N R 305 
TLA O3   O N N 306 
TLA C4   C N N 307 
TLA O4   O N N 308 
TLA O41  O N N 309 
TLA H11  H N N 310 
TLA H2   H N N 311 
TLA HA   H N N 312 
TLA H3   H N N 313 
TLA HB   H N N 314 
TLA H41  H N N 315 
TRP N    N N N 316 
TRP CA   C N S 317 
TRP C    C N N 318 
TRP O    O N N 319 
TRP CB   C N N 320 
TRP CG   C Y N 321 
TRP CD1  C Y N 322 
TRP CD2  C Y N 323 
TRP NE1  N Y N 324 
TRP CE2  C Y N 325 
TRP CE3  C Y N 326 
TRP CZ2  C Y N 327 
TRP CZ3  C Y N 328 
TRP CH2  C Y N 329 
TRP OXT  O N N 330 
TRP H    H N N 331 
TRP H2   H N N 332 
TRP HA   H N N 333 
TRP HB2  H N N 334 
TRP HB3  H N N 335 
TRP HD1  H N N 336 
TRP HE1  H N N 337 
TRP HE3  H N N 338 
TRP HZ2  H N N 339 
TRP HZ3  H N N 340 
TRP HH2  H N N 341 
TRP HXT  H N N 342 
TYR N    N N N 343 
TYR CA   C N S 344 
TYR C    C N N 345 
TYR O    O N N 346 
TYR CB   C N N 347 
TYR CG   C Y N 348 
TYR CD1  C Y N 349 
TYR CD2  C Y N 350 
TYR CE1  C Y N 351 
TYR CE2  C Y N 352 
TYR CZ   C Y N 353 
TYR OH   O N N 354 
TYR OXT  O N N 355 
TYR H    H N N 356 
TYR H2   H N N 357 
TYR HA   H N N 358 
TYR HB2  H N N 359 
TYR HB3  H N N 360 
TYR HD1  H N N 361 
TYR HD2  H N N 362 
TYR HE1  H N N 363 
TYR HE2  H N N 364 
TYR HH   H N N 365 
TYR HXT  H N N 366 
VAL N    N N N 367 
VAL CA   C N S 368 
VAL C    C N N 369 
VAL O    O N N 370 
VAL CB   C N N 371 
VAL CG1  C N N 372 
VAL CG2  C N N 373 
VAL OXT  O N N 374 
VAL H    H N N 375 
VAL H2   H N N 376 
VAL HA   H N N 377 
VAL HB   H N N 378 
VAL HG11 H N N 379 
VAL HG12 H N N 380 
VAL HG13 H N N 381 
VAL HG21 H N N 382 
VAL HG22 H N N 383 
VAL HG23 H N N 384 
VAL HXT  H N N 385 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HOH O   H1   sing N N 129 
HOH O   H2   sing N N 130 
ILE N   CA   sing N N 131 
ILE N   H    sing N N 132 
ILE N   H2   sing N N 133 
ILE CA  C    sing N N 134 
ILE CA  CB   sing N N 135 
ILE CA  HA   sing N N 136 
ILE C   O    doub N N 137 
ILE C   OXT  sing N N 138 
ILE CB  CG1  sing N N 139 
ILE CB  CG2  sing N N 140 
ILE CB  HB   sing N N 141 
ILE CG1 CD1  sing N N 142 
ILE CG1 HG12 sing N N 143 
ILE CG1 HG13 sing N N 144 
ILE CG2 HG21 sing N N 145 
ILE CG2 HG22 sing N N 146 
ILE CG2 HG23 sing N N 147 
ILE CD1 HD11 sing N N 148 
ILE CD1 HD12 sing N N 149 
ILE CD1 HD13 sing N N 150 
ILE OXT HXT  sing N N 151 
LEU N   CA   sing N N 152 
LEU N   H    sing N N 153 
LEU N   H2   sing N N 154 
LEU CA  C    sing N N 155 
LEU CA  CB   sing N N 156 
LEU CA  HA   sing N N 157 
LEU C   O    doub N N 158 
LEU C   OXT  sing N N 159 
LEU CB  CG   sing N N 160 
LEU CB  HB2  sing N N 161 
LEU CB  HB3  sing N N 162 
LEU CG  CD1  sing N N 163 
LEU CG  CD2  sing N N 164 
LEU CG  HG   sing N N 165 
LEU CD1 HD11 sing N N 166 
LEU CD1 HD12 sing N N 167 
LEU CD1 HD13 sing N N 168 
LEU CD2 HD21 sing N N 169 
LEU CD2 HD22 sing N N 170 
LEU CD2 HD23 sing N N 171 
LEU OXT HXT  sing N N 172 
LYS N   CA   sing N N 173 
LYS N   H    sing N N 174 
LYS N   H2   sing N N 175 
LYS CA  C    sing N N 176 
LYS CA  CB   sing N N 177 
LYS CA  HA   sing N N 178 
LYS C   O    doub N N 179 
LYS C   OXT  sing N N 180 
LYS CB  CG   sing N N 181 
LYS CB  HB2  sing N N 182 
LYS CB  HB3  sing N N 183 
LYS CG  CD   sing N N 184 
LYS CG  HG2  sing N N 185 
LYS CG  HG3  sing N N 186 
LYS CD  CE   sing N N 187 
LYS CD  HD2  sing N N 188 
LYS CD  HD3  sing N N 189 
LYS CE  NZ   sing N N 190 
LYS CE  HE2  sing N N 191 
LYS CE  HE3  sing N N 192 
LYS NZ  HZ1  sing N N 193 
LYS NZ  HZ2  sing N N 194 
LYS NZ  HZ3  sing N N 195 
LYS OXT HXT  sing N N 196 
MET N   CA   sing N N 197 
MET N   H    sing N N 198 
MET N   H2   sing N N 199 
MET CA  C    sing N N 200 
MET CA  CB   sing N N 201 
MET CA  HA   sing N N 202 
MET C   O    doub N N 203 
MET C   OXT  sing N N 204 
MET CB  CG   sing N N 205 
MET CB  HB2  sing N N 206 
MET CB  HB3  sing N N 207 
MET CG  SD   sing N N 208 
MET CG  HG2  sing N N 209 
MET CG  HG3  sing N N 210 
MET SD  CE   sing N N 211 
MET CE  HE1  sing N N 212 
MET CE  HE2  sing N N 213 
MET CE  HE3  sing N N 214 
MET OXT HXT  sing N N 215 
PHE N   CA   sing N N 216 
PHE N   H    sing N N 217 
PHE N   H2   sing N N 218 
PHE CA  C    sing N N 219 
PHE CA  CB   sing N N 220 
PHE CA  HA   sing N N 221 
PHE C   O    doub N N 222 
PHE C   OXT  sing N N 223 
PHE CB  CG   sing N N 224 
PHE CB  HB2  sing N N 225 
PHE CB  HB3  sing N N 226 
PHE CG  CD1  doub Y N 227 
PHE CG  CD2  sing Y N 228 
PHE CD1 CE1  sing Y N 229 
PHE CD1 HD1  sing N N 230 
PHE CD2 CE2  doub Y N 231 
PHE CD2 HD2  sing N N 232 
PHE CE1 CZ   doub Y N 233 
PHE CE1 HE1  sing N N 234 
PHE CE2 CZ   sing Y N 235 
PHE CE2 HE2  sing N N 236 
PHE CZ  HZ   sing N N 237 
PHE OXT HXT  sing N N 238 
PRO N   CA   sing N N 239 
PRO N   CD   sing N N 240 
PRO N   H    sing N N 241 
PRO CA  C    sing N N 242 
PRO CA  CB   sing N N 243 
PRO CA  HA   sing N N 244 
PRO C   O    doub N N 245 
PRO C   OXT  sing N N 246 
PRO CB  CG   sing N N 247 
PRO CB  HB2  sing N N 248 
PRO CB  HB3  sing N N 249 
PRO CG  CD   sing N N 250 
PRO CG  HG2  sing N N 251 
PRO CG  HG3  sing N N 252 
PRO CD  HD2  sing N N 253 
PRO CD  HD3  sing N N 254 
PRO OXT HXT  sing N N 255 
SER N   CA   sing N N 256 
SER N   H    sing N N 257 
SER N   H2   sing N N 258 
SER CA  C    sing N N 259 
SER CA  CB   sing N N 260 
SER CA  HA   sing N N 261 
SER C   O    doub N N 262 
SER C   OXT  sing N N 263 
SER CB  OG   sing N N 264 
SER CB  HB2  sing N N 265 
SER CB  HB3  sing N N 266 
SER OG  HG   sing N N 267 
SER OXT HXT  sing N N 268 
THR N   CA   sing N N 269 
THR N   H    sing N N 270 
THR N   H2   sing N N 271 
THR CA  C    sing N N 272 
THR CA  CB   sing N N 273 
THR CA  HA   sing N N 274 
THR C   O    doub N N 275 
THR C   OXT  sing N N 276 
THR CB  OG1  sing N N 277 
THR CB  CG2  sing N N 278 
THR CB  HB   sing N N 279 
THR OG1 HG1  sing N N 280 
THR CG2 HG21 sing N N 281 
THR CG2 HG22 sing N N 282 
THR CG2 HG23 sing N N 283 
THR OXT HXT  sing N N 284 
TLA O1  C1   doub N N 285 
TLA O11 C1   sing N N 286 
TLA O11 H11  sing N N 287 
TLA C1  C2   sing N N 288 
TLA C2  O2   sing N N 289 
TLA C2  C3   sing N N 290 
TLA C2  H2   sing N N 291 
TLA O2  HA   sing N N 292 
TLA C3  O3   sing N N 293 
TLA C3  C4   sing N N 294 
TLA C3  H3   sing N N 295 
TLA O3  HB   sing N N 296 
TLA C4  O4   doub N N 297 
TLA C4  O41  sing N N 298 
TLA O41 H41  sing N N 299 
TRP N   CA   sing N N 300 
TRP N   H    sing N N 301 
TRP N   H2   sing N N 302 
TRP CA  C    sing N N 303 
TRP CA  CB   sing N N 304 
TRP CA  HA   sing N N 305 
TRP C   O    doub N N 306 
TRP C   OXT  sing N N 307 
TRP CB  CG   sing N N 308 
TRP CB  HB2  sing N N 309 
TRP CB  HB3  sing N N 310 
TRP CG  CD1  doub Y N 311 
TRP CG  CD2  sing Y N 312 
TRP CD1 NE1  sing Y N 313 
TRP CD1 HD1  sing N N 314 
TRP CD2 CE2  doub Y N 315 
TRP CD2 CE3  sing Y N 316 
TRP NE1 CE2  sing Y N 317 
TRP NE1 HE1  sing N N 318 
TRP CE2 CZ2  sing Y N 319 
TRP CE3 CZ3  doub Y N 320 
TRP CE3 HE3  sing N N 321 
TRP CZ2 CH2  doub Y N 322 
TRP CZ2 HZ2  sing N N 323 
TRP CZ3 CH2  sing Y N 324 
TRP CZ3 HZ3  sing N N 325 
TRP CH2 HH2  sing N N 326 
TRP OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_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   4AXR 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_data_reduction.diffrn_id             1 
_pdbx_serial_crystallography_data_reduction.frames_total          ? 
_pdbx_serial_crystallography_data_reduction.xfel_pulse_events     ? 
_pdbx_serial_crystallography_data_reduction.frame_hits            ? 
_pdbx_serial_crystallography_data_reduction.crystal_hits          ? 
_pdbx_serial_crystallography_data_reduction.droplet_hits          ? 
_pdbx_serial_crystallography_data_reduction.frames_failed_index   ? 
_pdbx_serial_crystallography_data_reduction.frames_indexed        5716 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      ? 
_pdbx_serial_crystallography_data_reduction.xfel_run_numbers      ? 
_pdbx_serial_crystallography_data_reduction.lattices_merged       ? 
# 
_pdbx_serial_crystallography_measurement.diffrn_id                    1 
_pdbx_serial_crystallography_measurement.pulse_energy                 100 
_pdbx_serial_crystallography_measurement.pulse_duration               8 
_pdbx_serial_crystallography_measurement.xfel_pulse_repetition_rate   100 
_pdbx_serial_crystallography_measurement.pulse_photon_energy          12.03 
_pdbx_serial_crystallography_measurement.photons_per_pulse            ? 
_pdbx_serial_crystallography_measurement.source_size                  ? 
_pdbx_serial_crystallography_measurement.source_distance              ? 
_pdbx_serial_crystallography_measurement.focal_spot_size              7.98 
_pdbx_serial_crystallography_measurement.collimation                  ? 
_pdbx_serial_crystallography_measurement.collection_time_total        ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_pdbx_serial_crystallography_sample_delivery_fixed_target.diffrn_id                       1 
_pdbx_serial_crystallography_sample_delivery_fixed_target.description                     ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_holding                  'polymer fixed target' 
_pdbx_serial_crystallography_sample_delivery_fixed_target.support_base                    ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_unit_size                ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.crystals_per_unit               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_solvent                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_dehydration_prevention   'thin film' 
_pdbx_serial_crystallography_sample_delivery_fixed_target.motion_control                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_horizontal             ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_vertical               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.details                         ? 
# 
_atom_sites.entry_id                    9EQS 
_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]   0.017094 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.017094 
_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]   0.006612 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 0.8669   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N N   . ALA A 1 1   ? 21.919  -10.978 -9.899  1.000 27.708 0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.478  -12.389 -10.038 1.000 25.897 0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.447  -12.434 -11.148 1.000 22.243 0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.692  -11.488 -11.342 1.000 25.055 0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.873  -12.905 -8.756  1.000 29.000 0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.466  -13.551 -11.863 1.000 20.126 0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.580  -13.729 -12.995 0.340 19.576 0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.610  -13.774 -13.009 0.660 19.672 0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.499  -14.732 -12.588 1.000 19.088 0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.797  -15.750 -11.986 1.000 21.212 0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.375  -14.156 -14.234 0.340 21.484 0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.427  -14.412 -14.133 0.660 23.108 0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.670  -15.543 -14.172 0.340 21.171 0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.412  -13.496 -14.594 0.660 27.112 0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.718  -13.458 -14.358 0.340 22.129 0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.576  -14.719 -15.348 0.660 23.636 0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.250  -14.362 -12.903 1.000 18.037 0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.105  -15.237 -12.708 1.000 17.263 0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.484  -15.469 -14.074 1.000 16.729 0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.153  -14.484 -14.739 1.000 19.233 0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.045  -14.590 -11.814 1.000 18.022 0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.367  -14.561 -10.329 1.000 18.168 0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.375  -13.736 -9.836  1.000 19.927 0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.719  -15.413 -9.451  1.000 17.959 0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.684  -13.730 -8.489  1.000 20.665 0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.020  -15.387 -8.108  1.000 18.779 0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 15.976  -14.525 -7.634  1.000 17.757 0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.312  -16.738 -14.446 1.000 14.653 0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.530  -17.046 -15.625 1.000 14.744 0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.164  -17.531 -15.164 1.000 14.577 0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.088  -18.414 -14.310 1.000 16.374 0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.185  -18.103 -16.502 1.000 17.577 0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.485  -18.208 -17.850 1.000 19.671 0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.028  -19.293 -18.777 1.000 23.120 0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.148  -20.431 -18.376 1.000 21.757 0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.306  -18.944 -19.939 1.000 25.714 0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.151  -16.838 -15.650 1.000 13.452 0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.779  -17.106 -15.269 1.000 14.315 0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.113  -17.755 -16.482 1.000 14.680 0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.011  -17.128 -17.546 1.000 15.621 0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.047  -15.844 -14.794 1.000 16.258 0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.757  -15.203 -13.593 1.000 18.133 0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.604   -16.217 -14.460 1.000 16.253 0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.382  -13.755 -13.361 1.000 23.123 0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.632   -18.974 -16.296 1.000 14.102 0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.176   -19.807 -17.400 1.000 13.823 0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.706   -20.154 -17.171 1.000 13.055 0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.370   -20.660 -16.103 1.000 12.717 0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 10.010  -21.080 -17.553 1.000 14.910 0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.469   -21.874 -18.753 1.000 15.034 0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.482  -20.732 -17.743 1.000 16.820 0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.849   -19.915 -18.160 1.000 12.573 0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.456   -20.311 -18.043 1.000 12.389 0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.247   -21.626 -18.800 1.000 13.538 0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.131   -21.599 -20.011 1.000 15.137 0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.515   -19.245 -18.578 1.000 13.024 0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.089   -19.707 -18.408 1.000 13.490 0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.823   -20.604 -17.593 1.000 13.726 0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.201   -19.135 -19.208 1.000 14.172 0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.200   -22.752 -18.092 1.000 12.824 0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.879   -24.058 -18.661 1.000 12.709 0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.386   -24.351 -18.589 1.000 13.502 0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.943   -25.396 -19.052 1.000 13.706 0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.741   -25.135 -17.994 1.000 14.257 0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.735   -26.482 -18.694 1.000 14.865 0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.638   -27.490 -18.102 1.000 16.486 0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.011   -27.046 -18.303 1.000 15.388 0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.067   -27.376 -17.569 1.000 18.429 0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.937   -28.095 -16.452 1.000 19.772 0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.247  -26.858 -17.865 1.000 18.404 0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.584   -23.427 -18.043 1.000 12.827 0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.152   -23.657 -18.009 1.000 13.059 0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.574   -23.598 -19.417 1.000 15.367 0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.143   -22.929 -20.266 1.000 15.047 0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.450   -22.601 -17.159 1.000 13.846 0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.111   -22.425 -15.485 1.000 14.490 0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.637  -24.155 -19.577 1.000 15.122 0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.323  -24.133 -20.859 0.770 17.837 0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.361  -24.151 -20.840 0.230 18.058 0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.024  -22.799 -21.095 1.000 20.102 0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.491  -22.527 -22.207 1.000 23.562 0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.287  -25.299 -20.989 0.770 20.418 0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.406  -25.247 -20.870 0.230 19.418 0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.276  -25.257 -19.971 0.770 21.683 0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -1.962  -26.413 -20.194 0.230 21.099 0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.087  -21.956 -20.066 1.000 17.337 0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.766  -20.685 -20.128 1.000 16.878 0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.731  -19.579 -19.931 1.000 14.983 0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.670  -19.823 -19.353 1.000 17.269 0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.864  -20.613 -19.059 1.000 18.352 0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.448  -21.095 -17.681 1.000 18.399 0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.866  -20.214 -16.762 1.000 19.388 0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.647  -22.407 -17.276 1.000 18.671 0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.461  -20.645 -15.511 1.000 20.233 0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.286  -22.836 -16.004 1.000 19.310 0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.695  -21.950 -15.119 1.000 19.484 0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.336  -22.425 -13.890 1.000 21.926 0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.095  -18.376 -20.339 1.000 15.901 0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.268  -17.192 -20.159 1.000 14.842 0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.240  -16.839 -18.683 1.000 16.548 0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.273  -16.865 -18.004 1.000 16.912 0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.816  -16.021 -20.981 1.000 17.706 0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.810  -16.446 -22.339 1.000 19.511 0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -1.005  -14.741 -20.885 1.000 15.957 0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.067  -16.407 -18.225 1.000 15.025 0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.054   -15.780 -16.921 1.000 15.176 0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.775   -14.468 -17.094 1.000 15.704 0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.515   -14.251 -18.068 1.000 15.716 0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.783   -16.658 -15.897 1.000 15.381 0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.068   -18.001 -15.741 1.000 15.803 0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.256   -16.834 -16.221 1.000 16.858 0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.591   -13.605 -16.109 1.000 13.249 0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.301   -12.356 -16.056 1.000 13.935 0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.216   -12.394 -14.852 1.000 14.416 0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.762   -12.310 -13.708 1.000 13.557 0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.308   -11.186 -16.003 1.000 13.626 0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.403  -10.942 -17.298 1.000 13.451 0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.082  -9.992  -18.229 1.000 15.727 0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.528  -11.651 -17.832 1.000 14.669 0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -0.971  -10.026 -19.271 1.000 17.223 0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.849  -11.052 -19.082 1.000 15.274 0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.281  -12.748 -17.402 1.000 16.121 0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.923  -11.480 -19.855 1.000 17.661 0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.302  -13.205 -18.209 1.000 18.107 0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.620  -12.563 -19.401 1.000 16.784 0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.491   -12.664 -15.105 1.000 13.883 0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.485   -12.754 -14.055 1.000 14.063 0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.641   -11.376 -13.405 1.000 13.431 0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.440   -10.333 -14.040 1.000 14.764 0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.812   -13.212 -14.618 1.000 14.478 0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.034   -11.392 -12.142 1.000 14.106 0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.243   -10.201 -11.337 1.000 15.573 0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.473   -10.460 -10.478 1.000 15.119 0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.718   -11.592 -10.045 1.000 16.203 0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.024   -9.893  -10.505 1.000 15.754 0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.281   -9.393  -10.266 1.000 15.800 0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.452   -9.447  -9.425  1.000 16.489 0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.620   -8.113  -8.703  1.000 16.580 0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.645   -7.063  -9.333  1.000 18.405 0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.714   -9.745  -10.220 1.000 18.998 0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.646   -8.161  -7.380  1.000 16.154 0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.638   -6.948  -6.571  1.000 18.550 0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.370   -7.232  -5.268  1.000 19.267 0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.399   -8.373  -4.809  1.000 17.623 0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.206   -6.519  -6.289  1.000 19.838 0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.109   -5.440  -5.355  1.000 24.294 0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.881   -6.172  -4.607  1.000 21.886 0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.347  -6.317  -3.234  1.000 23.174 0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.437   -5.549  -2.268  1.000 24.900 0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.829   -5.312  -1.131  1.000 27.253 0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.841  -5.945  -3.115  1.000 26.233 0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.194  -4.489  -3.436  1.000 29.702 0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.675  -4.176  -3.227  1.000 32.107 0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 14.019  -2.726  -3.295  1.000 39.475 0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.686  -2.035  -2.048  1.000 42.616 0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.211   -5.213  -2.686  1.000 23.618 0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.195   -4.674  -1.791  1.000 25.002 0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.103   -3.152  -1.868  1.000 25.973 0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 6.008   -2.591  -1.825  1.000 25.440 0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.256   -2.496  -2.029  1.000 26.448 0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.274   -1.047  -2.143  1.000 28.344 0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.846   -0.614  -3.487  1.000 29.117 0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 8.900   0.586   -3.758  1.000 32.899 0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 8.991   -0.445  -0.948  1.000 32.391 0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.461  -0.807  -0.847  1.000 37.466 0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 10.949  -1.640  -1.666  1.000 32.609 0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.113  -0.254  0.061   1.000 45.912 0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.241   -1.576  -4.343  1.000 25.521 0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.714   -1.291  -5.682  1.000 21.878 0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.556   -2.515  -6.578  1.000 20.261 0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.573   -3.638  -6.084  1.000 22.997 0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.162  -0.914  -5.620  1.000 24.018 0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.498   -2.287  -7.893  1.000 20.963 0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.612   -3.379  -8.857  1.000 20.712 0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 10.997  -4.000  -8.798  1.000 24.375 0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.985  -3.326  -8.504  1.000 25.105 0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.331   -2.902  -10.255 1.000 22.980 0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.087  -5.288  -9.134  1.000 20.644 0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.353  -5.887  -9.522  1.000 20.765 0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.351  -5.943  -11.040 1.000 21.876 0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.413  -6.460  -11.639 1.000 19.549 0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.510  -7.285  -8.936  1.000 20.915 0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.536  -7.318  -7.402  1.000 21.191 0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.625  -8.749  -6.925  1.000 22.963 0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.642  -6.435  -6.793  1.000 23.525 0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.414  -5.425  -11.666 1.000 22.832 0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.481  -5.368  -13.115 1.000 22.034 0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.264  -4.569  -13.581 1.000 20.399 0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.875  -3.583  -12.955 1.000 23.594 0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.707  -6.763  -13.694 1.000 22.217 0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.224  -6.829  -15.128 1.000 25.977 0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.462  -6.449  -16.068 1.000 25.871 0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.375  -7.284  -15.288 1.000 25.645 0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.612  -5.015  -14.645 1.000 20.289 0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.444  -4.328  -15.170 1.000 20.026 0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.207   -4.515  -14.270 1.000 21.851 0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.206   -3.831  -14.430 1.000 25.532 0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.227  -4.811  -16.585 1.000 22.636 0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.237   -5.485  -13.349 1.000 18.258 0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.153   -5.656  -12.395 1.000 17.295 0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.055   -6.596  -12.879 1.000 17.380 0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.317   -7.131  -12.044 1.000 17.823 0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.852   -6.745  -14.191 1.000 16.654 0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.801   -7.641  -14.637 1.000 16.996 0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.818   -7.750  -16.143 1.000 17.897 0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.343   -6.852  -16.805 1.000 19.103 0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.245   -8.850  -16.652 1.000 15.538 0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.187   -9.084  -18.076 1.000 16.665 0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.202   -10.211 -18.349 1.000 15.620 0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.066   -11.129 -17.554 1.000 15.655 0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.562   -9.498  -18.610 1.000 20.080 0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.785   -8.994  -20.021 1.000 22.510 0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.891   -9.790  -20.669 1.000 22.414 0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.353   -11.053 -21.174 1.000 22.034 0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.063   -11.850 -21.975 1.000 22.867 0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.347   -11.598 -22.159 1.000 21.820 0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.474   -12.889 -22.574 1.000 22.342 0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.599   -10.179 -19.521 1.000 15.638 0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.770   -11.282 -19.965 1.000 14.923 0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.678   -12.425 -20.429 1.000 14.439 0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.678   -12.200 -21.100 1.000 15.986 0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.905   -10.800 -21.124 1.000 15.814 0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 0.994   -11.879 -21.676 1.000 17.063 0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.069   -11.355 -22.759 1.000 21.704 0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.341  -10.199 -22.738 1.000 27.992 0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.170  -12.161 -23.773 1.000 24.621 0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.349   -13.646 -20.024 1.000 13.601 0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.003   -14.869 -20.490 1.000 13.810 0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.934   -15.756 -21.083 1.000 13.729 0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.162   -16.394 -20.357 1.000 13.820 0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.718   -15.638 -19.370 1.000 16.009 0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.976   -15.014 -18.797 1.000 20.160 0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.315   -15.761 -17.534 1.000 23.938 0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 7.126   -15.078 -19.761 1.000 23.167 0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.949   -15.898 -22.411 1.000 13.690 0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.128   -16.927 -23.015 1.000 14.229 0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.710   -18.306 -22.692 1.000 14.406 0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.832   -18.473 -22.205 1.000 14.560 0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.002   -16.704 -24.513 1.000 15.744 0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.317   -15.400 -24.844 1.000 19.344 0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.369   -15.004 -24.164 1.000 25.425 0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.791   -14.733 -25.880 1.000 29.228 0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.924   -19.349 -22.975 1.000 13.711 0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.323   -20.710 -22.709 1.000 14.226 0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.644   -21.012 -23.404 1.000 13.512 0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.717   -20.942 -24.653 1.000 14.136 0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.261   -21.675 -23.142 1.000 15.179 0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.726   -23.001 -22.982 1.000 16.997 0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.655   -21.369 -22.623 1.000 13.932 0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.966   -21.703 -23.149 1.000 14.347 0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 6.983   -20.567 -23.082 1.000 13.383 0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.167   -20.827 -23.264 1.000 15.076 0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.552   -19.319 -22.876 1.000 12.992 0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.472   -18.190 -22.908 1.000 13.145 0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.329   -18.121 -21.646 1.000 13.039 0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.923   -18.553 -20.551 1.000 13.893 0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.734   -16.874 -23.094 1.000 14.179 0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.180   -16.745 -24.511 1.000 15.873 0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.604   -15.370 -24.817 1.000 17.483 0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.127   -14.657 -23.894 1.000 16.580 0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.646   -14.969 -26.003 1.000 20.417 0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.495   -17.513 -21.811 1.000 13.713 0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.489  -17.342 -20.761 1.000 15.155 0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.887  -15.881 -20.711 1.000 17.470 0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 11.061  -15.236 -21.749 1.000 18.910 0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.720  -18.178 -21.032 1.000 17.148 0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.457  -19.554 -21.191 1.000 17.731 0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.050  -15.361 -19.489 1.000 16.105 0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.366  -13.958 -19.258 1.000 15.852 0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.524  -13.932 -18.283 1.000 16.845 0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.427  -14.555 -17.226 1.000 17.084 0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.154  -13.202 -18.723 1.000 17.820 0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.364  -11.780 -18.267 1.000 18.807 0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.132  -10.814 -18.839 1.000 21.756 0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.752   -11.183 -17.104 1.000 21.009 0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.970  -9.630  -18.158 1.000 22.912 0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.159  -9.827  -17.077 1.000 21.215 0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 8.928   -11.663 -16.074 1.000 19.915 0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.740   -8.965  -16.063 1.000 21.408 0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.550   -10.819 -15.047 1.000 22.971 0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.934   -9.475  -15.072 1.000 22.312 0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.666  -13.362 -18.707 1.000 18.039 0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.863  -13.309 -17.879 1.000 19.726 0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.953  -11.923 -17.247 1.000 19.589 0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.851  -10.919 -17.967 1.000 21.615 0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.098  -13.600 -18.732 1.000 25.077 0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 16.023  -14.957 -19.173 1.000 28.471 0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.375  -13.506 -17.928 1.000 26.887 0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.070  -11.889 -15.909 1.000 19.565 0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.205  -10.639 -15.169 1.000 19.818 0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.530  -10.635 -14.413 1.000 19.789 0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.076  -11.669 -14.041 1.000 19.740 0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 14.017  -10.364 -14.227 1.000 20.227 0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.919  -11.346 -13.110 1.000 20.332 0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.718  -10.254 -15.032 1.000 22.415 0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.902  -10.982 -12.033 1.000 20.845 0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 16.990  -9.412  -14.144 1.000 18.595 0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.161  -9.195  -13.319 1.000 20.920 0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.677  -8.587  -12.012 1.000 20.515 0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.914  -7.630  -12.033 1.000 23.472 0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.138  -8.254  -14.024 1.000 25.316 0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.804  -8.967  -15.172 1.000 33.716 0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.718  -9.769  -14.940 1.000 44.898 0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.296  -8.773  -16.385 1.000 37.688 0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.137  -9.183  -10.919 1.000 22.035 0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.801  -8.766  -9.572  1.000 22.108 0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.107  -8.317  -8.900  1.000 22.196 0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.075  -9.061  -8.863  1.000 21.515 0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.121  -9.888  -8.780  1.000 20.720 0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.897  -9.459  -7.348  1.000 22.682 0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.807  -10.359 -9.418  1.000 22.405 0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.121  -7.103  -8.359  1.000 23.392 0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.354  -6.568  -7.783  1.000 23.533 0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.819  -7.444  -6.625  1.000 23.877 0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.028  -7.872  -5.797  1.000 20.493 0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 20.203  -5.142  -7.260  1.000 29.497 0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 21.563  -4.500  -6.971  1.000 35.832 0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.568  -3.091  -6.411  0.230 36.465 0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 22.607  -2.408  -6.557  0.690 42.924 0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 20.564  -2.700  -5.791  0.620 37.366 0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.128  -7.737  -6.508  1.000 22.045 0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.671  -8.382  -5.319  1.000 22.952 0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.241  -7.605  -4.078  1.000 22.038 0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.072  -6.389  -4.109  1.000 23.873 0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.202  -8.367  -5.488  1.000 25.527 0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.425  -8.057  -6.951  1.000 26.139 0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.167  -7.419  -7.503  1.000 25.564 0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.028  -8.348  -2.987  1.000 22.580 0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.659  -7.757  -1.713  1.000 23.559 0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.151  -7.580  -1.530  1.000 24.261 0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.708  -7.214  -0.452  1.000 26.292 0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.355  -7.858  -2.575  1.000 20.369 0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.918  -7.719  -2.502  1.000 21.290 0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.399  -8.632  -1.386  1.000 19.912 0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.625  -9.846  -1.351  1.000 21.057 0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.282  -8.057  -3.860  1.000 20.646 0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.579  -7.082  -4.851  1.000 22.053 0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.764  -8.088  -3.809  1.000 24.404 0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.644  -8.008  -0.470  1.000 20.409 0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.061  -8.674  0.674   1.000 22.353 0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.549  -8.608  0.511   1.000 21.376 0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 14.014  -7.545  0.200   1.000 22.758 0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.377  -7.886  1.949   1.000 29.188 0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 16.671  -8.758  3.144   1.000 42.371 0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 15.910  -9.680  3.461   1.000 46.134 0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 17.774  -8.478  3.825   1.000 50.225 0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.891  -9.750  0.639   1.000 20.556 0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.440  -9.756  0.671   1.000 21.610 0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.830  -9.639  -0.725  1.000 20.909 0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.771  -9.053  -0.901  1.000 19.834 0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.498  -10.197 -1.730  1.000 17.730 0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.929  -10.232 -3.061  1.000 15.986 0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.946  -11.392 -3.214  1.000 14.223 0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.082  -12.439 -2.550  1.000 15.903 0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.967   -11.184 -4.101  1.000 15.280 0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.957   -12.196 -4.371  1.000 15.077 0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.648   -12.187 -5.869  1.000 14.791 0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.658   -11.150 -6.527  1.000 15.990 0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.671   -11.920 -3.583  1.000 16.010 0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.857   -11.821 -2.107  1.000 17.560 0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.537   -11.763 -1.360  1.000 17.972 0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.737   -11.416 0.110   1.000 21.120 0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.606   -12.303 0.871   1.000 23.654 0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.411   -13.387 -6.390  1.000 14.271 0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.889   -13.571 -7.739  1.000 14.509 0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.604   -14.379 -7.643  1.000 12.705 0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.493   -15.284 -6.831  1.000 14.652 0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.932   -14.298 -8.591  1.000 16.499 0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.062  -13.329 -8.923  1.000 16.137 0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.304   -14.907 -9.848  1.000 17.898 0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.347  -14.016 -9.361  1.000 17.438 0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.629   -14.020 -8.474  1.000 12.521 0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.354   -14.722 -8.497  1.000 13.114 0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.767   -14.596 -9.894  1.000 14.235 0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.230   -13.792 -10.715 1.000 14.258 0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.375   -14.215 -7.422  1.000 12.751 0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.879   -12.804 -7.571  1.000 13.405 0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.641   -12.441 -8.006  1.000 12.750 0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.572   -11.571 -7.250  1.000 14.482 0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.500   -11.079 -7.982  1.000 14.267 0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.663   -10.525 -7.509  1.000 15.189 0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.845   -11.270 -6.757  1.000 16.204 0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 3.000   -9.187  -7.318  1.000 16.761 0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.177   -9.936  -6.581  1.000 16.361 0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.252   -8.920  -6.829  1.000 17.371 0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.745   -15.394 -10.114 1.000 13.235 0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.942   -15.341 -11.314 1.000 12.252 0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.598   -14.700 -10.997 1.000 12.222 0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.049   -14.855 -9.908  1.000 13.803 0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.768   -16.723 -11.895 1.000 14.280 0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.082   -13.993 -11.992 1.000 12.538 0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.269  -13.450 -11.969 1.000 13.031 0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.049  -14.081 -13.092 1.000 13.702 0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.479  -14.314 -14.171 1.000 13.611 0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.221  -11.931 -12.175 1.000 13.264 0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.363  -11.237 -11.140 1.000 13.723 0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.152  -9.784  -11.460 1.000 14.788 0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.812   -9.676  -12.554 1.000 15.487 0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.197   -8.505  -13.110 1.000 16.850 0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.559   -7.379  -12.803 1.000 18.032 0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.208   -8.486  -13.959 1.000 19.696 0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.341  -14.332 -12.844 1.000 13.661 0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.216  -14.975 -13.807 1.000 14.092 0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.356  -14.054 -14.207 1.000 16.135 0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.775  -13.173 -13.456 1.000 16.721 0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.712  -16.334 -13.321 1.000 16.401 0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.470  -16.075 -12.139 1.000 17.298 0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.589  -17.331 -13.124 1.000 18.207 0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.819  -14.277 -15.447 1.000 16.503 0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.001  -13.612 -15.992 1.000 18.307 0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.909  -12.091 -15.861 1.000 18.030 0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.755  -11.438 -15.236 1.000 19.177 0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.260  -14.180 -15.356 1.000 19.999 0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.503  -15.639 -15.680 1.000 23.206 0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.592  -15.950 -16.879 0.520 25.490 0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.507  -16.441 -14.737 0.640 26.360 0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.882  -11.520 -16.489 1.000 17.328 0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.632  -10.095 -16.455 1.000 16.895 0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.084  -9.432  -17.761 1.000 18.897 0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.017  -10.034 -18.832 1.000 20.749 0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.145  -9.768  -16.385 1.000 17.502 0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.282  -10.480 -14.961 1.000 16.587 0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.564  -8.203  -17.614 1.000 19.093 0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.830  -7.295  -18.724 0.590 22.446 0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.817  -7.310  -18.731 0.410 23.602 0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.052  -6.016  -18.482 1.000 24.079 0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.242  -5.370  -17.455 1.000 25.674 0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.324  -6.981  -18.840 0.590 23.405 0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.316  -7.049  -18.896 0.410 26.363 0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.085  -8.230  -19.237 0.590 23.865 0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.589  -5.741  -19.623 0.410 29.477 0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.531  -9.126  -18.278 0.590 23.829 0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.740  -5.699  -21.001 0.410 31.085 0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.206  -8.597  -20.574 0.590 24.829 0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.662  -4.543  -18.927 0.410 32.230 0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -10.169 -10.302 -18.627 0.590 25.231 0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.976  -4.506  -21.664 0.410 31.817 0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -9.849  -9.768  -20.934 0.590 24.505 0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.867  -3.342  -19.578 0.410 32.327 0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.335 -10.616 -19.962 0.590 25.917 0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -9.032  -3.324  -20.949 0.410 31.674 0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.953 -11.788 -20.259 0.590 31.424 0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -9.266  -2.130  -21.569 0.410 35.261 0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.202  -5.644  -19.445 1.000 25.131 0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.465  -4.409  -19.374 1.000 26.120 0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.735  -3.616  -20.649 1.000 29.423 0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -4.907  -4.209  -21.711 1.000 32.500 0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -2.968  -4.650  -19.208 1.000 25.706 0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.644  -5.319  -17.882 1.000 24.194 0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.705  -4.584  -16.703 1.000 25.073 0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.213  -6.640  -17.819 1.000 22.187 0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.418  -5.170  -15.487 1.000 23.443 0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.912  -7.214  -16.598 1.000 22.619 0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.014  -6.485  -15.437 1.000 22.813 0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.789  -2.296  -20.497 1.000 31.890 0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.855  -1.368  -21.618 1.000 35.472 0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.441  -1.012  -22.085 1.000 36.951 0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.448  -1.545  -21.598 1.000 35.037 0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.690  -0.165  -21.225 1.000 33.855 0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.074  0.769   -20.199 1.000 36.387 0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.845  0.737   -20.015 1.000 38.542 0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.834  1.517   -19.568 1.000 49.352 0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.343  -0.073  -23.037 1.000 42.063 0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.067  0.314   -23.616 1.000 46.478 0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.141  0.944   -22.582 1.000 41.307 0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? 0.071   0.823   -22.717 1.000 47.969 0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.234  1.259   -24.799 1.000 48.999 0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -2.518  0.575   -26.126 0.650 51.362 0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -3.526  -0.153  -26.199 1.000 54.398 0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.720  0.771   -27.066 0.550 54.366 0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.694  1.608   -21.560 1.000 42.294 0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.864  2.245   -20.544 1.000 41.383 0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.363  1.245   -19.489 1.000 39.783 0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.413   1.633   -18.622 1.000 38.466 0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.572  3.424   -19.904 1.000 43.289 0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.592  3.038   -18.984 1.000 48.925 0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.799  -0.025  -19.545 1.000 36.460 0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.378  -1.023  -18.565 1.000 34.509 0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.208  -0.966  -17.286 1.000 29.545 0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.753  -1.361  -16.217 1.000 26.158 0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.434  -0.441  -17.413 1.000 29.040 0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.356  -0.356  -16.294 0.590 28.093 0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.357  -0.351  -16.300 0.410 27.973 0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.513  -1.314  -16.536 1.000 25.366 0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -4.961  -1.517  -17.664 1.000 26.542 0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.829  1.065   -16.060 0.590 30.062 0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.832  1.064   -16.110 0.410 29.423 0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.788  1.852   -15.501 0.590 31.658 0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.565  1.163   -14.902 0.410 30.597 0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -4.983  -1.941  -15.457 1.000 25.988 0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -5.996  -2.949  -15.632 1.000 23.160 0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.327  -3.685  -14.346 1.000 19.690 0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.366  -3.107  -13.263 1.000 20.916 0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.591  -4.980  -14.508 1.000 18.015 0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.030  -5.806  -13.396 1.000 17.362 0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.686  -7.261  -13.690 1.000 17.622 0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.718  -7.666  -14.835 1.000 18.876 0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.535  -5.662  -13.121 1.000 18.585 0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -8.949  -6.483  -11.881 1.000 22.369 0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.374  -6.044  -14.333 1.000 21.431 0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -9.809  -5.731  -10.902 1.000 27.593 0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.385  -8.020  -12.632 1.000 17.526 0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.212  -9.453  -12.694 1.000 17.040 0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.084  -10.099 -11.620 1.000 15.435 0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.316  -9.528  -10.565 1.000 16.146 0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.778  -9.886  -12.401 1.000 16.571 0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.546  -9.128  -13.482 0.920 15.243 0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.503  -11.339 -11.850 1.000 17.387 0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.353  -12.061 -10.905 1.000 17.054 0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.581  -12.690 -9.752  1.000 18.333 0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.144  -12.934 -8.681  1.000 17.511 0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.151  -13.161 -11.597 1.000 19.676 0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.181 -12.556 -12.475 1.000 22.218 0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.275 -13.552 -12.774 1.000 25.200 0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.263 -12.874 -13.651 1.000 28.589 0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.264 -13.812 -14.139 1.000 31.013 0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.286  -12.992 -9.931  1.000 15.400 0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.426  -13.358 -8.817  1.000 15.489 0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.148  -12.532 -8.907  1.000 15.313 0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.672  -12.292 -10.010 1.000 14.520 0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.082  -14.861 -8.779  1.000 16.063 0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.282  -15.319 -9.871  1.000 15.848 0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.324  -15.740 -8.692  1.000 17.203 0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.591  -12.129 -7.750  1.000 14.759 0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.282  -11.534 -7.692  1.000 14.832 0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.231  -10.092 -8.189  1.000 15.908 0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.149  -9.564  -8.367  1.000 16.400 0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.364  -9.395  -8.347  1.000 14.973 0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.315  -8.038  -8.854  1.000 15.225 0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.499  -7.155  -7.919  1.000 17.285 0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.656  -7.224  -6.694  1.000 18.190 0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.714  -7.481  -8.920  1.000 16.814 0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.821  -6.147  -9.620  1.000 20.005 0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.621  -6.134  -10.830 1.000 23.527 0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.093  -5.157  -8.908  1.000 26.147 0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.630  -6.304  -8.500  1.000 17.396 0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.757  -5.437  -7.721  1.000 19.180 0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.124  -3.968  -7.968  1.000 19.290 0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.457  -3.262  -8.728  1.000 21.552 0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.703   -5.681  -8.079  1.000 17.220 0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.071   -5.287  -9.803  1.000 18.903 0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.292  -3.600  -7.448  1.000 21.190 0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.862  -2.272  -7.626  1.000 22.784 0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.144  -1.915  -9.079  1.000 21.055 0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -3.024  -0.753  -9.461  1.000 23.480 0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.521  -2.893  -9.909  1.000 20.938 0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -4.009  -2.618  -11.250 1.000 22.151 0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.913  -2.360  -12.286 1.000 22.230 0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.226  -1.945  -13.405 1.000 26.350 0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.650  -2.604  -11.937 1.000 21.301 0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.526  -2.335  -12.830 1.000 21.967 0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? 0.034   -3.617  -13.458 1.000 21.340 0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.090   -4.666  -12.804 1.000 21.429 0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.565   -1.653  -12.011 1.000 24.676 0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.227   -0.278  -11.426 1.000 27.112 0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.471   0.347   -10.843 1.000 28.296 0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.386  0.591   -12.480 1.000 29.438 0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.442   -3.515  -14.718 1.000 19.328 0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.171   -4.568  -15.421 1.000 20.570 0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.525   -4.714  -14.749 1.000 21.421 0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.933   -5.806  -14.374 1.000 22.037 0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.294   -4.296  -16.924 1.000 22.385 0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.145   -5.279  -17.738 1.000 27.100 0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.563   -6.681  -17.686 1.000 26.814 0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.287   -4.769  -19.175 1.000 28.506 0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.181   -3.573  -14.499 1.000 21.993 0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.510   -3.569  -13.932 1.000 22.351 0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.383   -3.312  -12.441 1.000 25.211 0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.315   -2.170  -11.993 1.000 26.652 0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.359   -2.494  -14.645 1.000 24.590 0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.687   -2.810  -16.092 1.000 28.031 0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.030   -1.539  -16.886 1.000 35.021 0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 7.069   -1.718  -17.904 0.410 41.714 0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 6.862   -1.853  -19.209 0.480 48.026 0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 5.667   -2.194  -19.669 0.630 51.492 0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 7.874   -1.706  -20.050 0.800 49.220 0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.373   -4.394  -11.660 1.000 21.744 0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.153   -4.326  -10.228 1.000 20.836 0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.262   -3.583  -9.476  1.000 25.284 0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.455   -3.871  -9.635  1.000 27.388 0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.037   -5.725  -9.640  1.000 21.605 0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.565   -6.581  -10.254 1.000 19.386 0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.823   -2.656  -8.617  1.000 24.817 0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.704   -1.955  -7.695  1.000 30.207 0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.513   -2.531  -6.299  1.000 27.648 0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.411   -2.450  -5.460  1.000 35.188 0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.356   -0.458  -7.779  1.000 36.549 0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 6.341   0.503   -7.120  0.470 42.461 0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 6.008   0.958   -5.703  0.430 46.009 0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 6.775   2.200   -5.336  0.730 48.374 0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 6.532   2.585   -3.941  0.960 53.027 0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.341   -3.140  -6.052  1.000 24.151 0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.995   -3.645  -4.732  1.000 23.247 0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.559   -5.102  -4.863  1.000 21.848 0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.492   -5.630  -5.966  1.000 20.574 0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.874   -2.820  -4.092  1.000 28.866 0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 1.596   -2.793  -4.904  1.000 31.961 0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 0.369   -2.448  -4.066  0.390 37.562 0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? -0.755  -3.300  -4.470  0.470 42.585 0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? -1.307  -4.240  -3.704  0.250 46.683 0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? -0.946  -4.348  -2.435  0.440 48.807 0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? -2.228  -5.052  -4.202  1.000 51.647 0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.337   -5.754  -3.714  1.000 20.303 0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.924   -7.146  -3.699  1.000 19.651 0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.466   -7.265  -4.131  1.000 20.675 0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.688   -6.306  -4.115  1.000 21.833 0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.146   -7.788  -2.337  1.000 18.456 0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.598   -7.893  -1.913  1.000 18.121 0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.581   -8.243  -2.831  1.000 20.500 0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.960   -7.657  -0.600  1.000 21.875 0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.889   -8.345  -2.437  1.000 20.253 0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.283   -7.748  -0.204  1.000 20.759 0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.230   -8.118  -1.138  1.000 19.864 0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.133   -8.476  -4.556  1.000 18.059 0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.146  -8.737  -5.195  1.000 16.772 0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.193  -9.248  -4.196  1.000 16.173 0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.908  -9.720  -3.096  1.000 17.446 0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.444  -9.121  -4.631  1.000 16.283 0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.571  -9.539  -3.823  1.000 17.464 0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.655  -11.066 -3.801  1.000 16.714 0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.578  -11.722 -4.843  1.000 15.446 0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.827  -8.927  -4.447  1.000 20.326 0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.105  -9.128  -3.648  1.000 25.992 0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.189  -8.197  -4.182  1.000 27.591 0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.421  -8.342  -3.400  0.700 31.309 0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.342  -9.281  -3.550  1.000 31.695 0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.281  -10.117 -4.574  0.720 28.775 0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.321 -9.414  -2.662  0.430 26.404 0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.852  -11.702 -2.624  1.000 15.209 0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.015  -13.141 -2.555  1.000 14.103 0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.253  -13.525 -3.338  1.000 15.103 0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.213  -12.738 -3.452  1.000 15.933 0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.164  -13.489 -1.060  1.000 16.297 0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.607  -12.274 -0.397  1.000 17.981 0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.854  -11.078 -1.285  1.000 18.527 0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.332  -14.774 -3.793  1.000 15.026 0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.372  -15.850 -3.508  1.000 13.399 0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.203  -15.838 -4.494  1.000 13.464 0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.409  -15.687 -5.695  1.000 14.800 0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.230  -17.111 -3.653  1.000 15.124 0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.270  -16.734 -4.701  1.000 16.849 0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.487  -15.241 -4.597  1.000 17.059 0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.976  -16.021 -3.993  1.000 13.359 0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.752  -16.017 -4.795  1.000 12.945 0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.229   -17.021 -4.221  1.000 12.424 0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.746   -16.830 -3.130  1.000 13.775 0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.048  -14.663 -4.783  1.000 13.429 0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.156   -14.272 -3.428  1.000 16.653 0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.802  -13.592 -5.534  1.000 14.652 0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.597   -18.024 -5.005  1.000 12.160 0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.716   -18.885 -4.650  1.000 13.102 0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.955   -17.991 -4.734  1.000 12.312 0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.065   -17.248 -5.700  1.000 13.828 0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.880   -20.065 -5.613  1.000 12.931 0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.596   -20.571 -5.940  1.000 14.014 0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.749   -21.161 -5.031  1.000 14.838 0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.845   -18.025 -3.748  1.000 11.976 0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.967   -17.091 -3.749  1.000 12.084 0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.315   -17.797 -3.809  1.000 13.099 0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.607   -18.626 -2.938  1.000 13.962 0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.910   -16.238 -2.478  1.000 13.121 0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.741   -15.257 -2.385  1.000 15.431 0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.621   -14.643 -0.966  1.000 16.991 0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.909   -14.185 -3.420  1.000 16.764 0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.178   -17.324 -4.735  1.000 12.842 0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.600   -17.605 -4.693  1.000 12.901 0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.273   -16.446 -3.972  1.000 13.372 0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.062   -15.299 -4.348  1.000 15.922 0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.143   -17.732 -6.088  1.000 13.033 0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.959   -16.753 -2.870  1.000 13.155 0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.474  -15.732 -1.989  1.000 13.367 0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 11.983  -15.881 -1.878  1.000 13.804 0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.496  -16.990 -1.817  1.000 14.624 0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.901   -15.827 -0.579  1.000 14.384 0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.374   -15.832 -0.546  1.000 14.839 0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.789   -15.838 0.845   1.000 15.538 0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.151   -16.723 1.639   1.000 17.328 0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.931   -14.974 1.087   1.000 19.467 0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.676  -14.742 -1.849  1.000 14.483 0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.122  -14.825 -1.805  1.000 15.009 0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.743  -13.593 -1.172  1.000 15.096 0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.255  -12.476 -1.271  1.000 16.227 0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.692  -15.100 -3.199  1.000 15.159 0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.165  -14.132 -4.225  1.000 15.760 0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 12.972  -14.409 -4.882  1.000 17.386 0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 14.788  -12.919 -4.479  1.000 18.753 0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 12.464  -13.524 -5.808  1.000 18.837 0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 14.253  -12.029 -5.403  1.000 19.164 0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 13.104  -12.353 -6.080  1.000 19.048 0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.858  -13.880 -0.505  1.000 17.684 0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.736  -12.846 0.014   1.000 17.679 0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.159  -13.178 -0.418  1.000 15.686 0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.591  -14.301 -0.214  1.000 20.140 0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.588  -12.739 1.535   1.000 20.352 0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.348  -12.111 1.873   1.000 20.870 0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.830  -12.241 -1.110  1.000 15.979 0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.101  -12.562 -1.751  1.000 17.496 0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.266  -11.863 -1.026  1.000 17.778 0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.124  -10.741 -0.556  1.000 21.367 0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.067  -12.134 -3.213  1.000 18.678 0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.836  -12.534 -4.029  1.000 20.099 0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.946  -11.901 -5.405  1.000 21.300 0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.748  -13.993 -4.075  1.000 20.703 0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.395  -12.552 -1.016  1.000 19.894 0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.667  -12.034 -0.484  1.000 20.278 0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.497  -11.506 0.936   1.000 21.571 0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.814  -10.349 1.234   1.000 24.270 0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.202  -10.942 -1.383  1.000 19.115 0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.285  -11.396 -2.818  1.000 21.920 0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 23.430  -11.003 -3.616  1.000 22.270 0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 25.277  -12.205 -3.139  1.000 24.311 0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.953  -12.380 1.778   1.000 21.982 0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.757  -12.110 3.194   1.000 23.760 0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.885  -12.808 3.943   1.000 21.865 0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.887  -14.009 4.170   1.000 21.439 0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.390  -12.641 3.613   1.000 24.601 0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.235  -12.039 2.821   1.000 25.257 0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.119  -10.550 3.018   1.000 27.617 0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.043  -10.056 4.152   1.000 32.459 0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.150  -9.807  1.919   1.000 31.148 0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.933  -12.049 4.256   1.000 24.069 0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.098  -12.620 4.931   1.000 26.124 0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.640  -13.836 4.191   1.000 25.167 0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.940  -14.873 4.784   1.000 28.943 0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.779  -12.941 6.398   1.000 26.666 0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.349  -11.707 7.162   1.000 33.207 0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.288  -10.819 7.680   1.000 37.123 0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 24.006  -11.453 7.401   1.000 37.917 0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.896  -9.699  8.396   1.000 40.226 0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.601  -10.335 8.110   1.000 42.090 0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.549  -9.464  8.619   1.000 43.484 0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 24.127  -8.383  9.329   1.000 42.076 0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.746  -13.725 2.860   1.000 26.475 0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.403  -14.761 2.088   1.000 26.409 0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.467  -15.820 1.508   1.000 25.989 0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.910  -16.667 0.746   1.000 23.590 0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.167  -15.720 1.804   1.000 23.104 0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.246  -16.800 1.468   1.000 25.976 0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 22.991  -16.207 0.820   1.000 21.043 0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.604  -15.067 1.069   1.000 23.153 0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.880  -17.592 2.729   1.000 31.578 0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 24.977  -18.480 3.349   1.000 35.027 0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.466  -19.578 2.414   1.000 41.766 0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.356  -20.609 3.036   1.000 46.970 0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 26.909  -21.479 1.991   1.000 50.002 0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.369  -17.017 -0.044  1.000 20.975 0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.034  -16.732 -0.550  1.000 19.336 0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.008  -17.629 0.142   1.000 17.997 0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.303  -18.760 0.482   1.000 18.944 0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.971  -17.015 -2.044  1.000 19.099 0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.716  -16.101 -3.005  1.000 21.321 0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.290  -15.067 -2.578  1.000 19.107 0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.668  -16.426 -4.209  1.000 20.149 0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.802  -17.102 0.381   1.000 17.687 0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.736  -17.848 1.026   1.000 18.481 0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.508  -17.849 0.113   1.000 16.774 0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.052  -16.771 -0.239  1.000 19.683 0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.389  -17.259 2.387   1.000 21.368 0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.562  -17.332 3.340   1.000 21.859 0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.839  -18.512 4.005   1.000 23.414 0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.424  -16.261 3.517   1.000 26.571 0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.937  -18.638 4.843   1.000 26.312 0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.528  -16.376 4.356   1.000 29.021 0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.766  -17.554 5.037   1.000 26.988 0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.816  -17.691 5.901   1.000 30.200 0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.023  -19.047 -0.225  1.000 17.206 0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.848  -19.191 -1.101  1.000 16.022 0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.801  -20.086 -0.446  1.000 16.050 0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.097  -21.019 0.318   1.000 16.515 0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.228  -19.725 -2.494  1.000 17.152 0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.649  -21.154 -2.504  1.000 18.805 0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.346  -18.859 -3.056  1.000 16.990 0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.902  -21.678 -3.900  1.000 22.175 0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.549  -19.844 -0.810  1.000 15.898 0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.452  -20.677 -0.348  1.000 15.187 0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.270  -20.468 -1.276  1.000 14.577 0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.192  -19.477 -2.007  1.000 14.480 0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.042  -20.378 1.090   1.000 16.009 0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.470  -18.994 1.338   1.000 16.869 0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.276   -18.799 1.054   1.000 16.560 0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.203  -18.107 1.764   1.000 18.328 0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.327   -21.400 -1.155  1.000 15.708 0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 7.979   -21.203 -1.651  1.000 14.193 0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.061   -21.096 -0.457  1.000 13.791 0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.202   -21.800 0.535   1.000 14.872 0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.559   -22.323 -2.605  1.000 15.658 0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.444   -22.292 -3.852  1.000 18.208 0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.077   -22.220 -2.983  1.000 19.076 0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.126   -23.371 -4.875  1.000 20.716 0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.093   -20.194 -0.580  1.000 13.192 0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.136   -19.976 0.490   1.000 12.914 0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.711   -20.051 -0.040  1.000 14.205 0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.397   -19.479 -1.081  1.000 13.438 0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.379   -18.673 1.115   1.000 13.578 0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.404   -18.335 2.089   1.000 14.639 0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.837   -20.681 0.762   1.000 14.029 0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.398   -20.659 0.616   1.000 13.175 0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.733   -19.841 1.724   1.000 13.419 0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.491  -19.916 1.928   1.000 14.006 0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.842   -22.076 0.680   1.000 13.548 0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.175   -22.898 -0.551  1.000 16.541 0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.090   -22.405 -1.679  1.000 17.744 0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.448   -24.166 -0.374  1.000 16.703 0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.486   -18.984 2.405   1.000 13.416 0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.895   -18.179 3.485   1.000 13.663 0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.127  -17.179 2.954   1.000 15.141 0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.051  -16.791 3.681   1.000 14.774 0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.046   -17.509 4.248   1.000 15.392 0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.850   -18.523 5.018   1.000 16.606 0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.600   -16.352 5.130   1.000 17.776 0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.144   -17.980 5.607   1.000 19.065 0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? 0.005   -16.762 1.690   1.000 14.210 0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.944  -15.882 1.024   1.000 13.976 0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.740  -16.685 -0.001  1.000 13.521 0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.233  -16.102 -0.955  1.000 14.519 0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.226  -14.709 0.338   1.000 17.388 0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.522   -13.824 1.308   1.000 23.106 0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.452  -12.950 2.074   1.000 27.077 0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.202   -12.066 3.099   1.000 31.180 0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.866  -11.476 3.915   1.000 32.573 0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.889  -17.995 0.229   1.000 13.297 0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.716  -18.814 -0.614  1.000 12.686 0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.962  -19.311 -1.839  1.000 14.756 0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.750  -19.169 -1.930  1.000 16.662 0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.741  -19.900 -2.728  1.000 12.821 0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.224  -20.621 -3.883  1.000 13.940 0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.068  -20.281 -5.097  1.000 13.394 0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.293  -20.276 -5.034  1.000 14.429 0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.265  -22.127 -3.625  1.000 13.927 0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.768  -23.011 -4.765  1.000 13.750 0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.620  -23.305 -5.816  1.000 14.906 0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.485  -23.531 -4.742  1.000 14.095 0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.174  -24.122 -6.844  1.000 15.073 0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.064  -24.380 -5.749  1.000 15.183 0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.909  -24.676 -6.783  1.000 14.533 0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.409  -20.004 -6.232  1.000 13.855 0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.115  -19.820 -7.482  1.000 12.996 0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.574  -20.721 -8.589  1.000 14.423 0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.367  -21.310 -9.329  1.000 15.849 0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.185  -18.365 -7.897  1.000 13.479 0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.859  -17.664 -8.143  1.000 14.373 0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.802  -18.078 -7.675  1.000 13.112 0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.938  -16.560 -8.866  1.000 14.420 0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.246  -20.789 -8.725  1.000 13.294 0 110 VAL A N   1 ? 
ATOM   845  C CA  . VAL A 1 110 ? -0.597  -21.497 -9.814  1.000 13.863 0 110 VAL A CA  1 ? 
ATOM   846  C C   . VAL A 1 110 ? 0.506   -22.361 -9.228  1.000 13.276 0 110 VAL A C   1 ? 
ATOM   847  O O   . VAL A 1 110 ? 1.277   -21.932 -8.342  1.000 15.101 0 110 VAL A O   1 ? 
ATOM   848  C CB  . VAL A 1 110 ? -0.006  -20.496 -10.831 1.000 16.094 0 110 VAL A CB  1 ? 
ATOM   849  C CG1 . VAL A 1 110 ? 0.824   -21.160 -11.906 1.000 18.692 0 110 VAL A CG1 1 ? 
ATOM   850  C CG2 . VAL A 1 110 ? -1.053  -19.601 -11.472 1.000 17.051 0 110 VAL A CG2 1 ? 
ATOM   851  N N   . PRO A 1 111 ? 0.676   -23.606 -9.701  1.000 12.821 0 111 PRO A N   1 ? 
ATOM   852  C CA  . PRO A 1 111 ? 1.779   -24.449 -9.229  1.000 12.945 0 111 PRO A CA  1 ? 
ATOM   853  C C   . PRO A 1 111 ? 3.125   -23.887 -9.682  1.000 14.063 0 111 PRO A C   1 ? 
ATOM   854  O O   . PRO A 1 111 ? 3.196   -23.206 -10.690 1.000 14.258 0 111 PRO A O   1 ? 
ATOM   855  C CB  . PRO A 1 111 ? 1.510   -25.801 -9.820  1.000 14.876 0 111 PRO A CB  1 ? 
ATOM   856  C CG  . PRO A 1 111 ? 0.650   -25.518 -10.981 1.000 16.587 0 111 PRO A CG  1 ? 
ATOM   857  C CD  . PRO A 1 111 ? -0.165  -24.280 -10.686 1.000 15.076 0 111 PRO A CD  1 ? 
ATOM   858  N N   . MET A 1 112 ? 4.168   -24.142 -8.889  1.000 14.608 0 112 MET A N   1 ? 
ATOM   859  C CA  . MET A 1 112 ? 5.454   -23.491 -9.073  1.000 15.223 0 112 MET A CA  1 ? 
ATOM   860  C C   . MET A 1 112 ? 6.586   -24.421 -8.678  1.000 14.581 0 112 MET A C   1 ? 
ATOM   861  O O   . MET A 1 112 ? 6.492   -25.145 -7.687  1.000 15.497 0 112 MET A O   1 ? 
ATOM   862  C CB  . MET A 1 112 ? 5.452   -22.223 -8.207  1.000 19.110 0 112 MET A CB  1 ? 
ATOM   863  C CG  . MET A 1 112 ? 6.695   -21.406 -8.238  1.000 23.642 0 112 MET A CG  1 ? 
ATOM   864  S SD  . MET A 1 112 ? 6.521   -20.233 -6.872  1.000 22.804 0 112 MET A SD  1 ? 
ATOM   865  C CE  . MET A 1 112 ? 5.431   -19.073 -7.686  1.000 25.625 0 112 MET A CE  1 ? 
ATOM   866  N N   . ASP A 1 113 ? 7.677   -24.331 -9.417  1.000 15.249 0 113 ASP A N   1 ? 
ATOM   867  C CA  . ASP A 1 113 ? 8.988   -24.840 -9.044  1.000 15.452 0 113 ASP A CA  1 ? 
ATOM   868  C C   . ASP A 1 113 ? 9.952   -23.667 -8.967  1.000 13.718 0 113 ASP A C   1 ? 
ATOM   869  O O   . ASP A 1 113 ? 9.886   -22.768 -9.804  1.000 14.892 0 113 ASP A O   1 ? 
ATOM   870  C CB  . ASP A 1 113 ? 9.475   -25.882 -10.033 1.000 16.909 0 113 ASP A CB  1 ? 
ATOM   871  C CG  . ASP A 1 113 ? 10.832  -26.501 -9.728  1.000 20.278 0 113 ASP A CG  1 ? 
ATOM   872  O OD1 . ASP A 1 113 ? 11.827  -25.845 -10.051 1.000 20.296 0 113 ASP A OD1 1 ? 
ATOM   873  O OD2 . ASP A 1 113 ? 10.879  -27.595 -9.118  1.000 19.927 0 113 ASP A OD2 1 ? 
ATOM   874  N N   . PHE A 1 114 ? 10.807  -23.667 -7.939  1.000 14.362 0 114 PHE A N   1 ? 
ATOM   875  C CA  . PHE A 1 114 ? 11.765  -22.606 -7.747  1.000 14.403 0 114 PHE A CA  1 ? 
ATOM   876  C C   . PHE A 1 114 ? 13.113  -23.264 -7.484  1.000 17.511 0 114 PHE A C   1 ? 
ATOM   877  O O   . PHE A 1 114 ? 13.304  -23.872 -6.431  1.000 16.981 0 114 PHE A O   1 ? 
ATOM   878  C CB  . PHE A 1 114 ? 11.327  -21.741 -6.568  1.000 14.898 0 114 PHE A CB  1 ? 
ATOM   879  C CG  . PHE A 1 114 ? 12.170  -20.508 -6.282  1.000 15.543 0 114 PHE A CG  1 ? 
ATOM   880  C CD1 . PHE A 1 114 ? 13.156  -20.021 -7.137  1.000 16.436 0 114 PHE A CD1 1 ? 
ATOM   881  C CD2 . PHE A 1 114 ? 11.897  -19.774 -5.132  1.000 16.374 0 114 PHE A CD2 1 ? 
ATOM   882  C CE1 . PHE A 1 114 ? 13.849  -18.847 -6.830  1.000 17.390 0 114 PHE A CE1 1 ? 
ATOM   883  C CE2 . PHE A 1 114 ? 12.578  -18.604 -4.843  1.000 18.782 0 114 PHE A CE2 1 ? 
ATOM   884  C CZ  . PHE A 1 114 ? 13.547  -18.134 -5.694  1.000 18.119 0 114 PHE A CZ  1 ? 
ATOM   885  N N   . SER A 1 115 ? 13.987  -23.218 -8.492  1.000 15.653 0 115 SER A N   1 ? 
ATOM   886  C CA  . SER A 1 115 ? 15.220  -23.993 -8.445  1.000 16.127 0 115 SER A CA  1 ? 
ATOM   887  C C   . SER A 1 115 ? 16.401  -23.119 -8.820  1.000 17.736 0 115 SER A C   1 ? 
ATOM   888  O O   . SER A 1 115 ? 16.299  -22.208 -9.632  1.000 17.844 0 115 SER A O   1 ? 
ATOM   889  C CB  . SER A 1 115 ? 15.142  -25.199 -9.362  1.000 18.050 0 115 SER A CB  1 ? 
ATOM   890  O OG  . SER A 1 115 ? 14.231  -26.198 -8.938  1.000 20.430 0 115 SER A OG  1 ? 
ATOM   891  N N   . PRO A 1 116 ? 17.583  -23.413 -8.248  1.000 17.948 0 116 PRO A N   1 ? 
ATOM   892  C CA  . PRO A 1 116 ? 18.815  -22.782 -8.711  1.000 18.771 0 116 PRO A CA  1 ? 
ATOM   893  C C   . PRO A 1 116 ? 19.193  -23.309 -10.095 1.000 19.996 0 116 PRO A C   1 ? 
ATOM   894  O O   . PRO A 1 116 ? 18.878  -24.447 -10.409 1.000 22.349 0 116 PRO A O   1 ? 
ATOM   895  C CB  . PRO A 1 116 ? 19.778  -23.210 -7.606  1.000 21.511 0 116 PRO A CB  1 ? 
ATOM   896  C CG  . PRO A 1 116 ? 19.302  -24.572 -7.232  1.000 21.137 0 116 PRO A CG  1 ? 
ATOM   897  C CD  . PRO A 1 116 ? 17.779  -24.419 -7.190  1.000 19.837 0 116 PRO A CD  1 ? 
ATOM   898  N N   . THR A 1 117 ? 19.839  -22.456 -10.896 1.000 22.069 0 117 THR A N   1 ? 
ATOM   899  C CA  . THR A 1 117 ? 20.422  -22.880 -12.173 1.000 22.522 0 117 THR A CA  1 ? 
ATOM   900  C C   . THR A 1 117 ? 21.931  -22.993 -12.050 1.000 26.001 0 117 THR A C   1 ? 
ATOM   901  O O   . THR A 1 117 ? 22.567  -23.403 -13.020 1.000 26.377 0 117 THR A O   1 ? 
ATOM   902  C CB  . THR A 1 117 ? 20.034  -21.929 -13.292 1.000 22.455 0 117 THR A CB  1 ? 
ATOM   903  O OG1 . THR A 1 117 ? 20.526  -20.639 -12.968 1.000 23.943 0 117 THR A OG1 1 ? 
ATOM   904  C CG2 . THR A 1 117 ? 18.535  -21.907 -13.515 1.000 23.773 0 117 THR A CG2 1 ? 
ATOM   905  N N   . THR A 1 118 ? 22.447  -22.658 -10.860 1.000 23.416 0 118 THR A N   1 ? 
ATOM   906  C CA  . THR A 1 118 ? 23.859  -22.794 -10.515 1.000 26.203 0 118 THR A CA  1 ? 
ATOM   907  C C   . THR A 1 118 ? 23.981  -23.846 -9.418  1.000 28.430 0 118 THR A C   1 ? 
ATOM   908  O O   . THR A 1 118 ? 22.982  -24.419 -8.985  1.000 30.924 0 118 THR A O   1 ? 
ATOM   909  C CB  . THR A 1 118 ? 24.433  -21.436 -10.115 1.000 26.397 0 118 THR A CB  1 ? 
ATOM   910  O OG1 . THR A 1 118 ? 23.601  -20.899 -9.084  1.000 27.921 0 118 THR A OG1 1 ? 
ATOM   911  C CG2 . THR A 1 118 ? 24.512  -20.490 -11.298 1.000 29.158 0 118 THR A CG2 1 ? 
ATOM   912  N N   . ARG A 1 119 ? 25.216  -24.134 -8.992  1.000 32.979 0 119 ARG A N   1 ? 
ATOM   913  C CA  . ARG A 1 119 ? 25.482  -25.312 -8.176  1.000 34.649 0 119 ARG A CA  1 ? 
ATOM   914  C C   . ARG A 1 119 ? 25.320  -24.976 -6.692  1.000 34.010 0 119 ARG A C   1 ? 
ATOM   915  O O   . ARG A 1 119 ? 25.377  -23.810 -6.302  1.000 33.185 0 119 ARG A O   1 ? 
ATOM   916  C CB  . ARG A 1 119 ? 26.885  -25.861 -8.482  1.000 40.597 0 119 ARG A CB  1 ? 
ATOM   917  C CG  . ARG A 1 119 ? 27.047  -26.419 -9.891  0.300 42.857 0 119 ARG A CG  1 ? 
ATOM   918  C CD  . ARG A 1 119 ? 28.421  -27.045 -10.121 0.600 44.887 0 119 ARG A CD  1 ? 
ATOM   919  N NE  . ARG A 1 119 ? 29.483  -26.059 -9.894  0.580 47.006 0 119 ARG A NE  1 ? 
ATOM   920  C CZ  . ARG A 1 119 ? 29.777  -25.044 -10.696 0.260 47.746 0 119 ARG A CZ  1 ? 
ATOM   921  N NH1 . ARG A 1 119 ? 29.352  -25.025 -11.950 0.700 47.903 0 119 ARG A NH1 1 ? 
ATOM   922  N NH2 . ARG A 1 119 ? 30.553  -24.075 -10.250 0.370 49.359 0 119 ARG A NH2 1 ? 
ATOM   923  N N   . GLY A 1 120 ? 25.036  -25.995 -5.874  1.000 29.901 0 120 GLY A N   1 ? 
ATOM   924  C CA  . GLY A 1 120 ? 25.311  -25.905 -4.448  1.000 32.704 0 120 GLY A CA  1 ? 
ATOM   925  C C   . GLY A 1 120 ? 24.075  -25.951 -3.543  1.000 30.355 0 120 GLY A C   1 ? 
ATOM   926  O O   . GLY A 1 120 ? 24.223  -25.848 -2.340  1.000 31.032 0 120 GLY A O   1 ? 
ATOM   927  N N   . CYS A 1 121 ? 22.867  -26.095 -4.106  1.000 26.251 0 121 CYS A N   1 ? 
ATOM   928  C CA  . CYS A 1 121 ? 21.670  -26.263 -3.301  1.000 26.997 0 121 CYS A CA  1 ? 
ATOM   929  C C   . CYS A 1 121 ? 20.584  -26.906 -4.163  1.000 31.629 0 121 CYS A C   1 ? 
ATOM   930  O O   . CYS A 1 121 ? 20.752  -27.038 -5.378  1.000 30.609 0 121 CYS A O   1 ? 
ATOM   931  C CB  . CYS A 1 121 ? 21.180  -24.932 -2.741  1.000 25.658 0 121 CYS A CB  1 ? 
ATOM   932  S SG  . CYS A 1 121 ? 21.043  -23.660 -4.017  1.000 24.658 0 121 CYS A SG  1 ? 
ATOM   933  N N   . ARG A 1 122 ? 19.473  -27.238 -3.502  1.000 26.921 0 122 ARG A N   1 ? 
ATOM   934  C CA  A ARG A 1 122 ? 18.339  -27.922 -4.099  0.450 28.157 0 122 ARG A CA  1 ? 
ATOM   935  C CA  B ARG A 1 122 ? 18.348  -27.918 -4.125  0.550 28.424 0 122 ARG A CA  1 ? 
ATOM   936  C C   . ARG A 1 122 ? 17.257  -26.891 -4.401  1.000 24.962 0 122 ARG A C   1 ? 
ATOM   937  O O   . ARG A 1 122 ? 17.329  -25.761 -3.938  1.000 26.261 0 122 ARG A O   1 ? 
ATOM   938  C CB  A ARG A 1 122 ? 17.807  -28.970 -3.111  0.450 29.636 0 122 ARG A CB  1 ? 
ATOM   939  C CB  B ARG A 1 122 ? 17.751  -29.014 -3.231  0.550 30.165 0 122 ARG A CB  1 ? 
ATOM   940  C CG  A ARG A 1 122 ? 17.171  -28.407 -1.844  0.450 31.061 0 122 ARG A CG  1 ? 
ATOM   941  C CG  B ARG A 1 122 ? 17.052  -28.526 -1.968  0.550 31.765 0 122 ARG A CG  1 ? 
ATOM   942  C CD  A ARG A 1 122 ? 17.219  -29.376 -0.662  0.450 33.918 0 122 ARG A CD  1 ? 
ATOM   943  C CD  B ARG A 1 122 ? 16.134  -29.583 -1.360  0.550 34.050 0 122 ARG A CD  1 ? 
ATOM   944  N NE  A ARG A 1 122 ? 16.663  -28.809 0.572   0.450 34.376 0 122 ARG A NE  1 ? 
ATOM   945  N NE  B ARG A 1 122 ? 15.378  -29.070 -0.211  0.550 37.511 0 122 ARG A NE  1 ? 
ATOM   946  C CZ  A ARG A 1 122 ? 17.361  -28.279 1.575   0.450 35.665 0 122 ARG A CZ  1 ? 
ATOM   947  C CZ  B ARG A 1 122 ? 14.045  -29.004 -0.088  0.550 35.979 0 122 ARG A CZ  1 ? 
ATOM   948  N NH1 A ARG A 1 122 ? 18.677  -28.201 1.514   0.450 33.289 0 122 ARG A NH1 1 ? 
ATOM   949  N NH1 B ARG A 1 122 ? 13.244  -29.391 -1.067  0.550 35.414 0 122 ARG A NH1 1 ? 
ATOM   950  N NH2 A ARG A 1 122 ? 16.736  -27.825 2.648   0.450 36.293 0 122 ARG A NH2 1 ? 
ATOM   951  N NH2 B ARG A 1 122 ? 13.517  -28.552 1.036   0.550 35.882 0 122 ARG A NH2 1 ? 
ATOM   952  N N   . GLY A 1 123 ? 16.269  -27.287 -5.191  1.000 23.103 0 123 GLY A N   1 ? 
ATOM   953  C CA  . GLY A 1 123 ? 15.113  -26.436 -5.408  1.000 20.523 0 123 GLY A CA  1 ? 
ATOM   954  C C   . GLY A 1 123 ? 13.945  -26.912 -4.552  1.000 22.053 0 123 GLY A C   1 ? 
ATOM   955  O O   . GLY A 1 123 ? 14.034  -27.918 -3.830  1.000 23.669 0 123 GLY A O   1 ? 
ATOM   956  N N   . VAL A 1 124 ? 12.851  -26.156 -4.644  1.000 19.783 0 124 VAL A N   1 ? 
ATOM   957  C CA  . VAL A 1 124 ? 11.626  -26.508 -3.951  1.000 20.733 0 124 VAL A CA  1 ? 
ATOM   958  C C   . VAL A 1 124 ? 10.464  -26.390 -4.926  1.000 20.224 0 124 VAL A C   1 ? 
ATOM   959  O O   . VAL A 1 124 ? 10.523  -25.663 -5.926  1.000 18.660 0 124 VAL A O   1 ? 
ATOM   960  C CB  . VAL A 1 124 ? 11.385  -25.643 -2.710  1.000 23.810 0 124 VAL A CB  1 ? 
ATOM   961  C CG1 . VAL A 1 124 ? 12.235  -26.113 -1.528  1.000 27.885 0 124 VAL A CG1 1 ? 
ATOM   962  C CG2 . VAL A 1 124 ? 11.609  -24.184 -3.016  1.000 24.539 0 124 VAL A CG2 1 ? 
ATOM   963  N N   . ARG A 1 125 ? 9.407   -27.144 -4.626  1.000 17.320 0 125 ARG A N   1 ? 
ATOM   964  C CA  . ARG A 1 125 ? 8.270   -27.177 -5.524  1.000 18.176 0 125 ARG A CA  1 ? 
ATOM   965  C C   . ARG A 1 125 ? 6.969   -27.260 -4.730  1.000 19.226 0 125 ARG A C   1 ? 
ATOM   966  O O   . ARG A 1 125 ? 6.912   -27.899 -3.674  1.000 20.964 0 125 ARG A O   1 ? 
ATOM   967  C CB  . ARG A 1 125 ? 8.399   -28.396 -6.440  1.000 22.040 0 125 ARG A CB  1 ? 
ATOM   968  C CG  . ARG A 1 125 ? 7.346   -28.509 -7.527  1.000 25.837 0 125 ARG A CG  1 ? 
ATOM   969  C CD  . ARG A 1 125 ? 7.597   -29.639 -8.535  1.000 30.047 0 125 ARG A CD  1 ? 
ATOM   970  N NE  . ARG A 1 125 ? 8.934   -29.628 -9.138  1.000 32.213 0 125 ARG A NE  1 ? 
ATOM   971  C CZ  . ARG A 1 125 ? 9.268   -30.369 -10.201 1.000 36.673 0 125 ARG A CZ  1 ? 
ATOM   972  N NH1 . ARG A 1 125 ? 8.409   -31.233 -10.714 1.000 39.357 0 125 ARG A NH1 1 ? 
ATOM   973  N NH2 . ARG A 1 125 ? 10.448  -30.229 -10.765 1.000 37.589 0 125 ARG A NH2 1 ? 
ATOM   974  N N   . CYS A 1 126 ? 5.929   -26.655 -5.293  1.000 16.879 0 126 CYS A N   1 ? 
ATOM   975  C CA  . CYS A 1 126 ? 4.556   -26.915 -4.894  1.000 17.330 0 126 CYS A CA  1 ? 
ATOM   976  C C   . CYS A 1 126 ? 3.734   -27.042 -6.164  1.000 17.363 0 126 CYS A C   1 ? 
ATOM   977  O O   . CYS A 1 126 ? 3.391   -26.036 -6.787  1.000 16.603 0 126 CYS A O   1 ? 
ATOM   978  C CB  . CYS A 1 126 ? 4.016   -25.839 -3.973  1.000 17.160 0 126 CYS A CB  1 ? 
ATOM   979  S SG  . CYS A 1 126 ? 2.280   -26.091 -3.491  1.000 17.277 0 126 CYS A SG  1 ? 
ATOM   980  N N   . ALA A 1 127 ? 3.421   -28.293 -6.529  1.000 18.872 0 127 ALA A N   1 ? 
ATOM   981  C CA  . ALA A 1 127 ? 2.782   -28.540 -7.810  1.000 20.961 0 127 ALA A CA  1 ? 
ATOM   982  C C   . ALA A 1 127 ? 1.508   -29.381 -7.695  1.000 23.207 0 127 ALA A C   1 ? 
ATOM   983  O O   . ALA A 1 127 ? 0.979   -29.882 -8.693  1.000 23.160 0 127 ALA A O   1 ? 
ATOM   984  C CB  . ALA A 1 127 ? 3.773   -29.182 -8.747  1.000 21.744 0 127 ALA A CB  1 ? 
ATOM   985  N N   . ALA A 1 128 ? 0.991   -29.522 -6.480  1.000 22.356 0 128 ALA A N   1 ? 
ATOM   986  C CA  . ALA A 1 128 ? -0.204  -30.313 -6.245  1.000 21.139 0 128 ALA A CA  1 ? 
ATOM   987  C C   . ALA A 1 128 ? -1.417  -29.517 -6.701  1.000 19.663 0 128 ALA A C   1 ? 
ATOM   988  O O   . ALA A 1 128 ? -1.341  -28.295 -6.879  1.000 19.960 0 128 ALA A O   1 ? 
ATOM   989  C CB  . ALA A 1 128 ? -0.283  -30.645 -4.773  1.000 22.863 0 128 ALA A CB  1 ? 
ATOM   990  N N   . ASP A 1 129 ? -2.556  -30.211 -6.867  1.000 21.041 0 129 ASP A N   1 ? 
ATOM   991  C CA  . ASP A 1 129 ? -3.769  -29.548 -7.322  1.000 21.885 0 129 ASP A CA  1 ? 
ATOM   992  C C   . ASP A 1 129 ? -4.496  -28.932 -6.129  1.000 19.729 0 129 ASP A C   1 ? 
ATOM   993  O O   . ASP A 1 129 ? -5.574  -29.360 -5.744  1.000 20.550 0 129 ASP A O   1 ? 
ATOM   994  C CB  . ASP A 1 129 ? -4.719  -30.498 -8.032  1.000 27.223 0 129 ASP A CB  1 ? 
ATOM   995  C CG  . ASP A 1 129 ? -5.909  -29.836 -8.712  1.000 25.840 0 129 ASP A CG  1 ? 
ATOM   996  O OD1 . ASP A 1 129 ? -5.968  -28.596 -8.790  1.000 24.523 0 129 ASP A OD1 1 ? 
ATOM   997  O OD2 . ASP A 1 129 ? -6.814  -30.573 -9.113  1.000 33.292 0 129 ASP A OD2 1 ? 
ATOM   998  N N   . ILE A 1 130 ? -3.897  -27.889 -5.574  1.000 16.772 0 130 ILE A N   1 ? 
ATOM   999  C CA  . ILE A 1 130 ? -4.493  -27.224 -4.426  1.000 17.237 0 130 ILE A CA  1 ? 
ATOM   1000 C C   . ILE A 1 130 ? -5.809  -26.562 -4.798  1.000 16.286 0 130 ILE A C   1 ? 
ATOM   1001 O O   . ILE A 1 130 ? -6.735  -26.541 -3.992  1.000 17.949 0 130 ILE A O   1 ? 
ATOM   1002 C CB  . ILE A 1 130 ? -3.457  -26.271 -3.827  1.000 16.678 0 130 ILE A CB  1 ? 
ATOM   1003 C CG1 . ILE A 1 130 ? -2.401  -27.107 -3.117  1.000 18.930 0 130 ILE A CG1 1 ? 
ATOM   1004 C CG2 . ILE A 1 130 ? -4.115  -25.240 -2.893  1.000 17.869 0 130 ILE A CG2 1 ? 
ATOM   1005 C CD1 . ILE A 1 130 ? -1.320  -26.298 -2.448  1.000 19.583 0 130 ILE A CD1 1 ? 
ATOM   1006 N N   . VAL A 1 131 ? -5.926  -26.000 -6.012  1.000 16.048 0 131 VAL A N   1 ? 
ATOM   1007 C CA  . VAL A 1 131 ? -7.166  -25.319 -6.341  1.000 17.332 0 131 VAL A CA  1 ? 
ATOM   1008 C C   . VAL A 1 131 ? -8.295  -26.341 -6.399  1.000 18.494 0 131 VAL A C   1 ? 
ATOM   1009 O O   . VAL A 1 131 ? -9.383  -26.067 -5.878  1.000 20.301 0 131 VAL A O   1 ? 
ATOM   1010 C CB  . VAL A 1 131 ? -7.067  -24.449 -7.602  1.000 21.167 0 131 VAL A CB  1 ? 
ATOM   1011 C CG1 . VAL A 1 131 ? -8.397  -23.778 -7.909  1.000 23.215 0 131 VAL A CG1 1 ? 
ATOM   1012 C CG2 . VAL A 1 131 ? -5.955  -23.436 -7.389  1.000 21.242 0 131 VAL A CG2 1 ? 
ATOM   1013 N N   . GLY A 1 132 ? -8.044  -27.503 -6.996  1.000 18.179 0 132 GLY A N   1 ? 
ATOM   1014 C CA  . GLY A 1 132 ? -9.128  -28.467 -7.173  1.000 20.362 0 132 GLY A CA  1 ? 
ATOM   1015 C C   . GLY A 1 132 ? -9.588  -29.080 -5.847  1.000 21.698 0 132 GLY A C   1 ? 
ATOM   1016 O O   . GLY A 1 132 ? -10.765 -29.458 -5.687  1.000 22.259 0 132 GLY A O   1 ? 
ATOM   1017 N N   . GLN A 1 133 ? -8.651  -29.180 -4.901  1.000 18.870 0 133 GLN A N   1 ? 
ATOM   1018 C CA  . GLN A 1 133 ? -8.926  -29.824 -3.625  1.000 18.818 0 133 GLN A CA  1 ? 
ATOM   1019 C C   . GLN A 1 133 ? -9.264  -28.813 -2.523  1.000 18.308 0 133 GLN A C   1 ? 
ATOM   1020 O O   . GLN A 1 133 ? -9.580  -29.227 -1.410  1.000 19.753 0 133 GLN A O   1 ? 
ATOM   1021 C CB  . GLN A 1 133 ? -7.732  -30.637 -3.122  1.000 18.324 0 133 GLN A CB  1 ? 
ATOM   1022 C CG  . GLN A 1 133 ? -7.241  -31.774 -4.004  1.000 20.871 0 133 GLN A CG  1 ? 
ATOM   1023 C CD  . GLN A 1 133 ? -8.285  -32.848 -4.232  1.000 26.750 0 133 GLN A CD  1 ? 
ATOM   1024 O OE1 . GLN A 1 133 ? -9.384  -32.840 -3.668  1.000 25.743 0 133 GLN A OE1 1 ? 
ATOM   1025 N NE2 . GLN A 1 133 ? -7.963  -33.769 -5.124  1.000 33.717 0 133 GLN A NE2 1 ? 
ATOM   1026 N N   . CYS A 1 134 ? -9.226  -27.510 -2.831  1.000 15.925 0 134 CYS A N   1 ? 
ATOM   1027 C CA  . CYS A 1 134 ? -9.374  -26.417 -1.876  1.000 15.856 0 134 CYS A CA  1 ? 
ATOM   1028 C C   . CYS A 1 134 ? -10.655 -26.571 -1.053  1.000 17.079 0 134 CYS A C   1 ? 
ATOM   1029 O O   . CYS A 1 134 ? -11.740 -26.742 -1.609  1.000 18.190 0 134 CYS A O   1 ? 
ATOM   1030 C CB  . CYS A 1 134 ? -9.357  -25.110 -2.662  1.000 16.072 0 134 CYS A CB  1 ? 
ATOM   1031 S SG  . CYS A 1 134 ? -9.381  -23.626 -1.638  1.000 15.304 0 134 CYS A SG  1 ? 
ATOM   1032 N N   . PRO A 1 135 ? -10.565 -26.465 0.285   1.000 19.364 0 135 PRO A N   1 ? 
ATOM   1033 C CA  . PRO A 1 135 ? -11.760 -26.439 1.131   1.000 21.531 0 135 PRO A CA  1 ? 
ATOM   1034 C C   . PRO A 1 135 ? -12.757 -25.382 0.664   1.000 21.449 0 135 PRO A C   1 ? 
ATOM   1035 O O   . PRO A 1 135 ? -12.396 -24.274 0.269   1.000 18.294 0 135 PRO A O   1 ? 
ATOM   1036 C CB  . PRO A 1 135 ? -11.190 -26.132 2.505   1.000 22.672 0 135 PRO A CB  1 ? 
ATOM   1037 C CG  . PRO A 1 135 ? -9.767  -26.583 2.470   1.000 21.406 0 135 PRO A CG  1 ? 
ATOM   1038 C CD  . PRO A 1 135 ? -9.328  -26.323 1.062   1.000 18.628 0 135 PRO A CD  1 ? 
ATOM   1039 N N   . ALA A 1 136 ? -14.062 -25.680 0.755   1.000 20.670 0 136 ALA A N   1 ? 
ATOM   1040 C CA  . ALA A 1 136 ? -15.068 -24.778 0.224   1.000 22.360 0 136 ALA A CA  1 ? 
ATOM   1041 C C   . ALA A 1 136 ? -14.929 -23.343 0.750   1.000 19.407 0 136 ALA A C   1 ? 
ATOM   1042 O O   . ALA A 1 136 ? -15.102 -22.383 0.009   1.000 22.223 0 136 ALA A O   1 ? 
ATOM   1043 C CB  . ALA A 1 136 ? -16.440 -25.346 0.585   1.000 28.381 0 136 ALA A CB  1 ? 
ATOM   1044 N N   . LYS A 1 137 ? -14.623 -23.190 2.043   1.000 20.136 0 137 LYS A N   1 ? 
ATOM   1045 C CA  . LYS A 1 137 ? -14.580 -21.875 2.652   1.000 19.424 0 137 LYS A CA  1 ? 
ATOM   1046 C C   . LYS A 1 137 ? -13.379 -21.068 2.170   1.000 19.155 0 137 LYS A C   1 ? 
ATOM   1047 O O   . LYS A 1 137 ? -13.393 -19.851 2.280   1.000 21.808 0 137 LYS A O   1 ? 
ATOM   1048 C CB  . LYS A 1 137 ? -14.568 -21.929 4.187   1.000 21.530 0 137 LYS A CB  1 ? 
ATOM   1049 C CG  . LYS A 1 137 ? -15.971 -22.195 4.746   1.000 23.990 0 137 LYS A CG  1 ? 
ATOM   1050 C CD  . LYS A 1 137 ? -16.059 -22.337 6.257   1.000 29.708 0 137 LYS A CD  1 ? 
ATOM   1051 C CE  . LYS A 1 137 ? -17.440 -22.743 6.712   1.000 34.426 0 137 LYS A CE  1 ? 
ATOM   1052 N NZ  . LYS A 1 137 ? -17.341 -23.252 8.089   1.000 40.331 0 137 LYS A NZ  1 ? 
ATOM   1053 N N   . LEU A 1 138 ? -12.387 -21.722 1.571   1.000 17.801 0 138 LEU A N   1 ? 
ATOM   1054 C CA  . LEU A 1 138 ? -11.184 -20.990 1.150   1.000 16.140 0 138 LEU A CA  1 ? 
ATOM   1055 C C   . LEU A 1 138 ? -11.179 -20.730 -0.354  1.000 16.475 0 138 LEU A C   1 ? 
ATOM   1056 O O   . LEU A 1 138 ? -10.304 -20.021 -0.846  1.000 15.808 0 138 LEU A O   1 ? 
ATOM   1057 C CB  . LEU A 1 138 ? -9.929  -21.765 1.517   1.000 15.326 0 138 LEU A CB  1 ? 
ATOM   1058 C CG  . LEU A 1 138 ? -9.696  -22.034 3.009   1.000 16.095 0 138 LEU A CG  1 ? 
ATOM   1059 C CD1 . LEU A 1 138 ? -8.389  -22.784 3.195   1.000 17.170 0 138 LEU A CD1 1 ? 
ATOM   1060 C CD2 . LEU A 1 138 ? -9.674  -20.706 3.763   1.000 19.054 0 138 LEU A CD2 1 ? 
ATOM   1061 N N   . LYS A 1 139 ? -12.122 -21.300 -1.091  1.000 16.334 0 139 LYS A N   1 ? 
ATOM   1062 C CA  . LYS A 1 139 ? -12.100 -21.109 -2.535  1.000 19.674 0 139 LYS A CA  1 ? 
ATOM   1063 C C   . LYS A 1 139 ? -12.356 -19.652 -2.901  1.000 19.568 0 139 LYS A C   1 ? 
ATOM   1064 O O   . LYS A 1 139 ? -13.277 -19.029 -2.393  1.000 21.789 0 139 LYS A O   1 ? 
ATOM   1065 C CB  . LYS A 1 139 ? -13.178 -21.998 -3.157  1.000 23.043 0 139 LYS A CB  1 ? 
ATOM   1066 C CG  . LYS A 1 139 ? -12.912 -23.456 -3.026  1.000 29.141 0 139 LYS A CG  1 ? 
ATOM   1067 C CD  . LYS A 1 139 ? -13.859 -24.347 -3.833  1.000 38.392 0 139 LYS A CD  1 ? 
ATOM   1068 C CE  . LYS A 1 139 ? -13.469 -24.459 -5.284  1.000 45.329 0 139 LYS A CE  1 ? 
ATOM   1069 N NZ  . LYS A 1 139 ? -12.206 -25.180 -5.510  1.000 49.705 0 139 LYS A NZ  1 ? 
ATOM   1070 N N   . ALA A 1 140 ? -11.540 -19.110 -3.804  1.000 19.076 0 140 ALA A N   1 ? 
ATOM   1071 C CA  . ALA A 1 140 ? -11.671 -17.747 -4.293  1.000 21.881 0 140 ALA A CA  1 ? 
ATOM   1072 C C   . ALA A 1 140 ? -12.474 -17.774 -5.589  1.000 24.690 0 140 ALA A C   1 ? 
ATOM   1073 O O   . ALA A 1 140 ? -12.131 -18.531 -6.494  1.000 25.523 0 140 ALA A O   1 ? 
ATOM   1074 C CB  . ALA A 1 140 ? -10.308 -17.161 -4.549  1.000 21.560 0 140 ALA A CB  1 ? 
ATOM   1075 N N   . PRO A 1 141 ? -13.526 -16.949 -5.709  1.000 28.061 0 141 PRO A N   1 ? 
ATOM   1076 C CA  . PRO A 1 141 ? -14.391 -16.998 -6.887  1.000 31.957 0 141 PRO A CA  1 ? 
ATOM   1077 C C   . PRO A 1 141 ? -13.678 -16.686 -8.198  1.000 34.443 0 141 PRO A C   1 ? 
ATOM   1078 O O   . PRO A 1 141 ? -14.026 -17.269 -9.219  1.000 36.840 0 141 PRO A O   1 ? 
ATOM   1079 C CB  . PRO A 1 141 ? -15.432 -15.932 -6.538  1.000 31.312 0 141 PRO A CB  1 ? 
ATOM   1080 C CG  . PRO A 1 141 ? -15.459 -15.899 -5.039  1.000 32.446 0 141 PRO A CG  1 ? 
ATOM   1081 C CD  . PRO A 1 141 ? -13.992 -15.988 -4.703  1.000 30.280 0 141 PRO A CD  1 ? 
ATOM   1082 N N   . GLY A 1 142 ? -12.690 -15.774 -8.142  1.000 34.913 0 142 GLY A N   1 ? 
ATOM   1083 C CA  . GLY A 1 142 ? -11.917 -15.389 -9.310  1.000 34.559 0 142 GLY A CA  1 ? 
ATOM   1084 C C   . GLY A 1 142 ? -10.881 -16.447 -9.661  1.000 34.963 0 142 GLY A C   1 ? 
ATOM   1085 O O   . GLY A 1 142 ? -10.257 -16.412 -10.725 1.000 35.048 0 142 GLY A O   1 ? 
ATOM   1086 N N   . GLY A 1 143 ? -10.722 -17.408 -8.750  1.000 32.674 0 143 GLY A N   1 ? 
ATOM   1087 C CA  . GLY A 1 143 ? -9.836  -18.529 -8.954  1.000 27.722 0 143 GLY A CA  1 ? 
ATOM   1088 C C   . GLY A 1 143 ? -8.867  -18.595 -7.774  1.000 23.360 0 143 GLY A C   1 ? 
ATOM   1089 O O   . GLY A 1 143 ? -8.627  -17.624 -7.078  1.000 27.486 0 143 GLY A O   1 ? 
ATOM   1090 N N   . GLY A 1 144 ? -8.307  -19.759 -7.548  1.000 19.792 0 144 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 144 ? -7.323  -19.873 -6.491  1.000 17.000 0 144 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 144 ? -7.918  -20.363 -5.183  1.000 17.344 0 144 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 144 ? -9.125  -20.599 -5.056  1.000 17.303 0 144 GLY A O   1 ? 
ATOM   1094 N N   . CYS A 1 145 ? -7.012  -20.546 -4.244  1.000 13.849 0 145 CYS A N   1 ? 
ATOM   1095 C CA  . CYS A 1 145 ? -7.358  -21.088 -2.924  1.000 14.558 0 145 CYS A CA  1 ? 
ATOM   1096 C C   . CYS A 1 145 ? -6.732  -20.162 -1.892  1.000 14.336 0 145 CYS A C   1 ? 
ATOM   1097 O O   . CYS A 1 145 ? -5.512  -20.080 -1.797  1.000 13.590 0 145 CYS A O   1 ? 
ATOM   1098 C CB  . CYS A 1 145 ? -6.786  -22.486 -2.742  1.000 14.277 0 145 CYS A CB  1 ? 
ATOM   1099 S SG  . CYS A 1 145 ? -7.390  -23.330 -1.262  1.000 15.585 0 145 CYS A SG  1 ? 
ATOM   1100 N N   . ASN A 1 146 ? -7.581  -19.390 -1.197  1.000 14.199 0 146 ASN A N   1 ? 
ATOM   1101 C CA  . ASN A 1 146 ? -7.083  -18.416 -0.246  1.000 14.156 0 146 ASN A CA  1 ? 
ATOM   1102 C C   . ASN A 1 146 ? -6.522  -19.083 0.994   1.000 13.435 0 146 ASN A C   1 ? 
ATOM   1103 O O   . ASN A 1 146 ? -6.961  -20.153 1.383   1.000 14.483 0 146 ASN A O   1 ? 
ATOM   1104 C CB  . ASN A 1 146 ? -8.202  -17.533 0.274   1.000 15.639 0 146 ASN A CB  1 ? 
ATOM   1105 C CG  . ASN A 1 146 ? -8.677  -16.545 -0.757  1.000 20.732 0 146 ASN A CG  1 ? 
ATOM   1106 O OD1 . ASN A 1 146 ? -7.851  -15.815 -1.322  1.000 22.466 0 146 ASN A OD1 1 ? 
ATOM   1107 N ND2 . ASN A 1 146 ? -9.986  -16.515 -1.004  1.000 23.049 0 146 ASN A ND2 1 ? 
ATOM   1108 N N   . ASP A 1 147 ? -5.589  -18.408 1.648   1.000 12.578 0 147 ASP A N   1 ? 
ATOM   1109 C CA  . ASP A 1 147 ? -5.197  -18.775 3.003   1.000 13.333 0 147 ASP A CA  1 ? 
ATOM   1110 C C   . ASP A 1 147 ? -6.284  -18.324 3.981   1.000 12.890 0 147 ASP A C   1 ? 
ATOM   1111 O O   . ASP A 1 147 ? -7.081  -17.397 3.722   1.000 13.431 0 147 ASP A O   1 ? 
ATOM   1112 C CB  . ASP A 1 147 ? -3.888  -18.101 3.331   1.000 13.454 0 147 ASP A CB  1 ? 
ATOM   1113 C CG  . ASP A 1 147 ? -4.035  -16.598 3.403   1.000 14.834 0 147 ASP A CG  1 ? 
ATOM   1114 O OD1 . ASP A 1 147 ? -4.105  -15.970 2.328   1.000 15.204 0 147 ASP A OD1 1 ? 
ATOM   1115 O OD2 . ASP A 1 147 ? -4.146  -16.064 4.561   1.000 14.375 0 147 ASP A OD2 1 ? 
ATOM   1116 N N   . ALA A 1 148 ? -6.256  -18.929 5.168   1.000 13.485 0 148 ALA A N   1 ? 
ATOM   1117 C CA  . ALA A 1 148 ? -7.277  -18.671 6.172   1.000 13.537 0 148 ALA A CA  1 ? 
ATOM   1118 C C   . ALA A 1 148 ? -7.178  -17.270 6.781   1.000 13.672 0 148 ALA A C   1 ? 
ATOM   1119 O O   . ALA A 1 148 ? -8.187  -16.731 7.267   1.000 14.064 0 148 ALA A O   1 ? 
ATOM   1120 C CB  . ALA A 1 148 ? -7.158  -19.707 7.278   1.000 14.550 0 148 ALA A CB  1 ? 
ATOM   1121 N N   . CYS A 1 149 ? -5.966  -16.694 6.857   1.000 13.770 0 149 CYS A N   1 ? 
ATOM   1122 C CA  . CYS A 1 149 ? -5.836  -15.346 7.376   1.000 13.422 0 149 CYS A CA  1 ? 
ATOM   1123 C C   . CYS A 1 149 ? -6.565  -14.343 6.492   1.000 13.434 0 149 CYS A C   1 ? 
ATOM   1124 O O   . CYS A 1 149 ? -7.344  -13.514 6.979   1.000 14.075 0 149 CYS A O   1 ? 
ATOM   1125 C CB  . CYS A 1 149 ? -4.375  -14.984 7.528   1.000 14.830 0 149 CYS A CB  1 ? 
ATOM   1126 S SG  . CYS A 1 149 ? -4.051  -13.239 7.871   1.000 15.630 0 149 CYS A SG  1 ? 
ATOM   1127 N N   . THR A 1 150 ? -6.335  -14.434 5.181   1.000 11.856 0 150 THR A N   1 ? 
ATOM   1128 C CA  . THR A 1 150 ? -7.033  -13.585 4.226   1.000 13.275 0 150 THR A CA  1 ? 
ATOM   1129 C C   . THR A 1 150 ? -8.545  -13.686 4.377   1.000 13.306 0 150 THR A C   1 ? 
ATOM   1130 O O   . THR A 1 150 ? -9.225  -12.670 4.353   1.000 16.532 0 150 THR A O   1 ? 
ATOM   1131 C CB  . THR A 1 150 ? -6.597  -13.981 2.814   1.000 14.179 0 150 THR A CB  1 ? 
ATOM   1132 O OG1 . THR A 1 150 ? -5.221  -13.662 2.678   1.000 16.210 0 150 THR A OG1 1 ? 
ATOM   1133 C CG2 . THR A 1 150 ? -7.448  -13.258 1.781   1.000 16.917 0 150 THR A CG2 1 ? 
ATOM   1134 N N   . VAL A 1 151 ? -9.063  -14.902 4.532   1.000 14.047 0 151 VAL A N   1 ? 
ATOM   1135 C CA  . VAL A 1 151 ? -10.498 -15.108 4.576   1.000 14.421 0 151 VAL A CA  1 ? 
ATOM   1136 C C   . VAL A 1 151 ? -11.084 -14.651 5.916   1.000 15.297 0 151 VAL A C   1 ? 
ATOM   1137 O O   . VAL A 1 151 ? -12.072 -13.931 5.935   1.000 16.574 0 151 VAL A O   1 ? 
ATOM   1138 C CB  . VAL A 1 151 ? -10.825 -16.571 4.282   1.000 15.404 0 151 VAL A CB  1 ? 
ATOM   1139 C CG1 . VAL A 1 151 ? -12.311 -16.843 4.513   1.000 16.021 0 151 VAL A CG1 1 ? 
ATOM   1140 C CG2 . VAL A 1 151 ? -10.377 -16.910 2.851   1.000 16.156 0 151 VAL A CG2 1 ? 
ATOM   1141 N N   . PHE A 1 152 ? -10.511 -15.096 7.030   1.000 14.041 0 152 PHE A N   1 ? 
ATOM   1142 C CA  . PHE A 1 152 ? -11.199 -14.959 8.326   1.000 14.552 0 152 PHE A CA  1 ? 
ATOM   1143 C C   . PHE A 1 152 ? -10.645 -13.846 9.199   1.000 14.000 0 152 PHE A C   1 ? 
ATOM   1144 O O   . PHE A 1 152 ? -11.305 -13.447 10.162  1.000 15.157 0 152 PHE A O   1 ? 
ATOM   1145 C CB  . PHE A 1 152 ? -11.130 -16.280 9.087   1.000 14.192 0 152 PHE A CB  1 ? 
ATOM   1146 C CG  . PHE A 1 152 ? -11.905 -17.381 8.421   1.000 14.177 0 152 PHE A CG  1 ? 
ATOM   1147 C CD1 . PHE A 1 152 ? -13.289 -17.386 8.438   1.000 16.508 0 152 PHE A CD1 1 ? 
ATOM   1148 C CD2 . PHE A 1 152 ? -11.247 -18.390 7.740   1.000 14.832 0 152 PHE A CD2 1 ? 
ATOM   1149 C CE1 . PHE A 1 152 ? -13.989 -18.407 7.842   1.000 18.277 0 152 PHE A CE1 1 ? 
ATOM   1150 C CE2 . PHE A 1 152 ? -11.968 -19.416 7.153   1.000 16.932 0 152 PHE A CE2 1 ? 
ATOM   1151 C CZ  . PHE A 1 152 ? -13.333 -19.391 7.170   1.000 16.405 0 152 PHE A CZ  1 ? 
ATOM   1152 N N   . GLN A 1 153 ? -9.415  -13.376 8.961   1.000 14.481 0 153 GLN A N   1 ? 
ATOM   1153 C CA  A GLN A 1 153 ? -8.859  -12.233 9.675   0.740 14.289 0 153 GLN A CA  1 ? 
ATOM   1154 C CA  B GLN A 1 153 ? -8.792  -12.273 9.683   0.260 14.112 0 153 GLN A CA  1 ? 
ATOM   1155 C C   . GLN A 1 153 ? -8.896  -12.442 11.193  1.000 14.352 0 153 GLN A C   1 ? 
ATOM   1156 O O   . GLN A 1 153 ? -9.336  -11.531 11.922  1.000 15.460 0 153 GLN A O   1 ? 
ATOM   1157 C CB  A GLN A 1 153 ? -9.623  -10.956 9.303   0.740 15.328 0 153 GLN A CB  1 ? 
ATOM   1158 C CB  B GLN A 1 153 ? -9.383  -10.941 9.245   0.260 14.198 0 153 GLN A CB  1 ? 
ATOM   1159 C CG  A GLN A 1 153 ? -9.501  -10.564 7.832   0.740 17.732 0 153 GLN A CG  1 ? 
ATOM   1160 C CG  B GLN A 1 153 ? -9.172  -10.690 7.762   0.260 14.739 0 153 GLN A CG  1 ? 
ATOM   1161 C CD  A GLN A 1 153 ? -8.189  -9.873  7.544   0.740 20.305 0 153 GLN A CD  1 ? 
ATOM   1162 C CD  B GLN A 1 153 ? -10.015 -9.543  7.280   0.260 15.150 0 153 GLN A CD  1 ? 
ATOM   1163 O OE1 A GLN A 1 153 ? -8.041  -8.663  7.694   0.740 21.294 0 153 GLN A OE1 1 ? 
ATOM   1164 O OE1 B GLN A 1 153 ? -11.190 -9.707  6.925   0.260 16.691 0 153 GLN A OE1 1 ? 
ATOM   1165 N NE2 A GLN A 1 153 ? -7.193  -10.640 7.146   0.740 22.558 0 153 GLN A NE2 1 ? 
ATOM   1166 N NE2 B GLN A 1 153 ? -9.398  -8.380  7.277   0.260 16.046 0 153 GLN A NE2 1 ? 
ATOM   1167 N N   . THR A 1 154 ? -8.412  -13.601 11.668  1.000 12.692 0 154 THR A N   1 ? 
ATOM   1168 C CA  . THR A 1 154 ? -8.277  -13.847 13.101  1.000 13.484 0 154 THR A CA  1 ? 
ATOM   1169 C C   . THR A 1 154 ? -6.804  -13.812 13.519  1.000 13.823 0 154 THR A C   1 ? 
ATOM   1170 O O   . THR A 1 154 ? -5.884  -14.053 12.722  1.000 14.908 0 154 THR A O   1 ? 
ATOM   1171 C CB  . THR A 1 154 ? -8.881  -15.181 13.529  1.000 13.960 0 154 THR A CB  1 ? 
ATOM   1172 O OG1 . THR A 1 154 ? -8.050  -16.228 13.024  1.000 15.388 0 154 THR A OG1 1 ? 
ATOM   1173 C CG2 . THR A 1 154 ? -10.333 -15.330 13.110  1.000 17.362 0 154 THR A CG2 1 ? 
ATOM   1174 N N   . SER A 1 155 ? -6.576  -13.529 14.816  1.000 14.385 0 155 SER A N   1 ? 
ATOM   1175 C CA  A SER A 1 155 ? -5.239  -13.532 15.378  0.710 15.674 0 155 SER A CA  1 ? 
ATOM   1176 C CA  B SER A 1 155 ? -5.244  -13.531 15.393  0.290 15.053 0 155 SER A CA  1 ? 
ATOM   1177 C C   . SER A 1 155 ? -4.570  -14.883 15.172  1.000 14.326 0 155 SER A C   1 ? 
ATOM   1178 O O   . SER A 1 155 ? -3.376  -14.960 14.902  1.000 15.538 0 155 SER A O   1 ? 
ATOM   1179 C CB  A SER A 1 155 ? -5.224  -13.122 16.827  0.710 17.333 0 155 SER A CB  1 ? 
ATOM   1180 C CB  B SER A 1 155 ? -5.280  -13.153 16.860  0.290 15.886 0 155 SER A CB  1 ? 
ATOM   1181 O OG  A SER A 1 155 ? -5.779  -11.827 16.979  0.710 20.201 0 155 SER A OG  1 ? 
ATOM   1182 O OG  B SER A 1 155 ? -6.213  -13.948 17.583  0.290 17.219 0 155 SER A OG  1 ? 
ATOM   1183 N N   . GLU A 1 156 ? -5.345  -15.957 15.285  1.000 13.929 0 156 GLU A N   1 ? 
ATOM   1184 C CA  . GLU A 1 156 ? -4.771  -17.285 15.165  1.000 14.119 0 156 GLU A CA  1 ? 
ATOM   1185 C C   . GLU A 1 156 ? -4.309  -17.558 13.742  1.000 15.187 0 156 GLU A C   1 ? 
ATOM   1186 O O   . GLU A 1 156 ? -3.204  -18.028 13.549  1.000 15.092 0 156 GLU A O   1 ? 
ATOM   1187 C CB  . GLU A 1 156 ? -5.770  -18.352 15.580  1.000 14.662 0 156 GLU A CB  1 ? 
ATOM   1188 C CG  . GLU A 1 156 ? -5.120  -19.726 15.758  1.000 15.204 0 156 GLU A CG  1 ? 
ATOM   1189 C CD  . GLU A 1 156 ? -4.099  -19.801 16.886  1.000 16.181 0 156 GLU A CD  1 ? 
ATOM   1190 O OE1 . GLU A 1 156 ? -4.004  -18.897 17.725  1.000 15.364 0 156 GLU A OE1 1 ? 
ATOM   1191 O OE2 . GLU A 1 156 ? -3.339  -20.803 16.901  1.000 18.077 0 156 GLU A OE2 1 ? 
ATOM   1192 N N   . TYR A 1 157 ? -5.135  -17.263 12.740  1.000 13.728 0 157 TYR A N   1 ? 
ATOM   1193 C CA  . TYR A 1 157 ? -4.707  -17.594 11.382  1.000 13.025 0 157 TYR A CA  1 ? 
ATOM   1194 C C   . TYR A 1 157 ? -3.604  -16.654 10.900  1.000 14.286 0 157 TYR A C   1 ? 
ATOM   1195 O O   . TYR A 1 157 ? -2.789  -17.020 10.053  1.000 15.196 0 157 TYR A O   1 ? 
ATOM   1196 C CB  . TYR A 1 157 ? -5.871  -17.483 10.399  1.000 12.545 0 157 TYR A CB  1 ? 
ATOM   1197 C CG  . TYR A 1 157 ? -6.971  -18.513 10.611  1.000 12.618 0 157 TYR A CG  1 ? 
ATOM   1198 C CD1 . TYR A 1 157 ? -6.663  -19.841 10.871  1.000 13.688 0 157 TYR A CD1 1 ? 
ATOM   1199 C CD2 . TYR A 1 157 ? -8.283  -18.149 10.615  1.000 13.730 0 157 TYR A CD2 1 ? 
ATOM   1200 C CE1 . TYR A 1 157 ? -7.660  -20.763 11.100  1.000 13.427 0 157 TYR A CE1 1 ? 
ATOM   1201 C CE2 . TYR A 1 157 ? -9.295  -19.059 10.832  1.000 14.192 0 157 TYR A CE2 1 ? 
ATOM   1202 C CZ  . TYR A 1 157 ? -8.982  -20.369 11.101  1.000 12.256 0 157 TYR A CZ  1 ? 
ATOM   1203 O OH  . TYR A 1 157 ? -9.963  -21.282 11.378  1.000 14.572 0 157 TYR A OH  1 ? 
ATOM   1204 N N   . CYS A 1 158 ? -3.667  -15.398 11.330  1.000 14.032 0 158 CYS A N   1 ? 
ATOM   1205 C CA  . CYS A 1 158 ? -2.726  -14.384 10.875  1.000 14.100 0 158 CYS A CA  1 ? 
ATOM   1206 C C   . CYS A 1 158 ? -1.474  -14.312 11.742  1.000 16.311 0 158 CYS A C   1 ? 
ATOM   1207 O O   . CYS A 1 158 ? -0.528  -13.599 11.412  1.000 18.900 0 158 CYS A O   1 ? 
ATOM   1208 C CB  . CYS A 1 158 ? -3.433  -13.040 10.813  1.000 14.311 0 158 CYS A CB  1 ? 
ATOM   1209 S SG  . CYS A 1 158 ? -4.879  -12.980 9.718   1.000 15.462 0 158 CYS A SG  1 ? 
ATOM   1210 N N   . CYS A 1 159 ? -1.493  -15.011 12.890  1.000 16.486 0 159 CYS A N   1 ? 
ATOM   1211 C CA  A CYS A 1 159 ? -0.367  -15.080 13.799  0.590 17.047 0 159 CYS A CA  1 ? 
ATOM   1212 C CA  B CYS A 1 159 ? -0.338  -15.086 13.775  0.410 17.070 0 159 CYS A CA  1 ? 
ATOM   1213 C C   . CYS A 1 159 ? 0.041   -13.694 14.295  1.000 17.600 0 159 CYS A C   1 ? 
ATOM   1214 O O   . CYS A 1 159 ? 1.226   -13.397 14.523  1.000 19.318 0 159 CYS A O   1 ? 
ATOM   1215 C CB  A CYS A 1 159 ? 0.789   -15.819 13.157  0.590 17.921 0 159 CYS A CB  1 ? 
ATOM   1216 C CB  B CYS A 1 159 ? 0.835   -15.777 13.083  0.410 17.616 0 159 CYS A CB  1 ? 
ATOM   1217 S SG  A CYS A 1 159 ? 1.706   -16.725 14.418  0.590 19.250 0 159 CYS A SG  1 ? 
ATOM   1218 S SG  B CYS A 1 159 ? 0.545   -17.532 12.723  0.410 18.805 0 159 CYS A SG  1 ? 
ATOM   1219 N N   . THR A 1 160 ? -0.972  -12.864 14.551  1.000 19.373 0 160 THR A N   1 ? 
ATOM   1220 C CA  . THR A 1 160 ? -0.812  -11.476 14.940  1.000 20.950 0 160 THR A CA  1 ? 
ATOM   1221 C C   . THR A 1 160 ? 0.024   -11.309 16.205  1.000 25.345 0 160 THR A C   1 ? 
ATOM   1222 O O   . THR A 1 160 ? 0.798   -10.347 16.254  1.000 30.460 0 160 THR A O   1 ? 
ATOM   1223 C CB  . THR A 1 160 ? -2.211  -10.890 15.172  1.000 22.721 0 160 THR A CB  1 ? 
ATOM   1224 O OG1 . THR A 1 160 ? -2.903  -11.127 13.960  1.000 25.202 0 160 THR A OG1 1 ? 
ATOM   1225 C CG2 . THR A 1 160 ? -2.191  -9.401  15.426  1.000 27.421 0 160 THR A CG2 1 ? 
ATOM   1226 N N   . THR A 1 161 ? -0.174  -12.171 17.208  1.000 23.813 0 161 THR A N   1 ? 
ATOM   1227 C CA  . THR A 1 161 ? 0.484   -11.976 18.499  1.000 27.781 0 161 THR A CA  1 ? 
ATOM   1228 C C   . THR A 1 161 ? 1.881   -12.590 18.469  1.000 32.284 0 161 THR A C   1 ? 
ATOM   1229 O O   . THR A 1 161 ? 2.591   -12.503 19.457  1.000 34.157 0 161 THR A O   1 ? 
ATOM   1230 C CB  . THR A 1 161 ? -0.341  -12.573 19.637  1.000 29.722 0 161 THR A CB  1 ? 
ATOM   1231 O OG1 . THR A 1 161 ? -0.142  -13.972 19.494  1.000 30.134 0 161 THR A OG1 1 ? 
ATOM   1232 C CG2 . THR A 1 161 ? -1.831  -12.283 19.557  1.000 32.552 0 161 THR A CG2 1 ? 
ATOM   1233 N N   . GLY A 1 162 ? 2.259   -13.237 17.363  1.000 28.676 0 162 GLY A N   1 ? 
ATOM   1234 C CA  . GLY A 1 162 ? 3.525   -13.946 17.293  1.000 29.248 0 162 GLY A CA  1 ? 
ATOM   1235 C C   . GLY A 1 162 ? 3.450   -15.332 17.936  1.000 28.113 0 162 GLY A C   1 ? 
ATOM   1236 O O   . GLY A 1 162 ? 4.436   -16.063 17.954  1.000 30.044 0 162 GLY A O   1 ? 
ATOM   1237 N N   . LYS A 1 163 ? 2.279   -15.704 18.452  1.000 27.473 0 163 LYS A N   1 ? 
ATOM   1238 C CA  . LYS A 1 163 ? 2.029   -17.061 18.898  1.000 28.437 0 163 LYS A CA  1 ? 
ATOM   1239 C C   . LYS A 1 163 ? 0.794   -17.553 18.154  1.000 28.396 0 163 LYS A C   1 ? 
ATOM   1240 O O   . LYS A 1 163 ? -0.253  -16.920 18.157  1.000 30.843 0 163 LYS A O   1 ? 
ATOM   1241 C CB  . LYS A 1 163 ? 1.829   -17.190 20.411  1.000 33.550 0 163 LYS A CB  1 ? 
ATOM   1242 C CG  . LYS A 1 163 ? 2.739   -16.327 21.285  0.750 36.418 0 163 LYS A CG  1 ? 
ATOM   1243 C CD  . LYS A 1 163 ? 3.318   -17.045 22.498  0.600 42.475 0 163 LYS A CD  1 ? 
ATOM   1244 C CE  . LYS A 1 163 ? 4.456   -17.953 22.114  0.830 46.584 0 163 LYS A CE  1 ? 
ATOM   1245 N NZ  . LYS A 1 163 ? 5.093   -18.598 23.267  0.680 45.595 0 163 LYS A NZ  1 ? 
ATOM   1246 N N   . CYS A 1 164 ? 0.971   -18.659 17.455  1.000 25.795 0 164 CYS A N   1 ? 
ATOM   1247 C CA  . CYS A 1 164 ? -0.128  -19.334 16.792  1.000 19.843 0 164 CYS A CA  1 ? 
ATOM   1248 C C   . CYS A 1 164 ? 0.332   -20.762 16.539  1.000 21.227 0 164 CYS A C   1 ? 
ATOM   1249 O O   . CYS A 1 164 ? 1.542   -21.034 16.525  1.000 22.134 0 164 CYS A O   1 ? 
ATOM   1250 C CB  . CYS A 1 164 ? -0.476  -18.641 15.484  1.000 19.449 0 164 CYS A CB  1 ? 
ATOM   1251 S SG  . CYS A 1 164 ? 0.917   -18.572 14.323  1.000 20.843 0 164 CYS A SG  1 ? 
ATOM   1252 N N   . GLY A 1 165 ? -0.634  -21.653 16.303  1.000 17.686 0 165 GLY A N   1 ? 
ATOM   1253 C CA  . GLY A 1 165 ? -0.329  -23.017 15.930  1.000 16.635 0 165 GLY A CA  1 ? 
ATOM   1254 C C   . GLY A 1 165 ? -0.835  -23.309 14.526  1.000 17.050 0 165 GLY A C   1 ? 
ATOM   1255 O O   . GLY A 1 165 ? -1.501  -22.481 13.900  1.000 15.696 0 165 GLY A O   1 ? 
ATOM   1256 N N   . PRO A 1 166 ? -0.515  -24.511 14.029  1.000 16.444 0 166 PRO A N   1 ? 
ATOM   1257 C CA  . PRO A 1 166 ? -1.143  -25.005 12.816  1.000 15.252 0 166 PRO A CA  1 ? 
ATOM   1258 C C   . PRO A 1 166 ? -2.650  -25.108 13.013  1.000 15.740 0 166 PRO A C   1 ? 
ATOM   1259 O O   . PRO A 1 166 ? -3.147  -25.253 14.158  1.000 15.342 0 166 PRO A O   1 ? 
ATOM   1260 C CB  . PRO A 1 166 ? -0.528  -26.375 12.565  1.000 18.001 0 166 PRO A CB  1 ? 
ATOM   1261 C CG  . PRO A 1 166 ? 0.211   -26.719 13.849  1.000 19.691 0 166 PRO A CG  1 ? 
ATOM   1262 C CD  . PRO A 1 166 ? 0.258   -25.532 14.750  1.000 17.754 0 166 PRO A CD  1 ? 
ATOM   1263 N N   . THR A 1 167 ? -3.375  -25.075 11.895  1.000 14.374 0 167 THR A N   1 ? 
ATOM   1264 C CA  . THR A 1 167 ? -4.828  -25.089 11.896  1.000 13.204 0 167 THR A CA  1 ? 
ATOM   1265 C C   . THR A 1 167 ? -5.320  -26.122 10.889  1.000 14.589 0 167 THR A C   1 ? 
ATOM   1266 O O   . THR A 1 167 ? -4.527  -26.618 10.078  1.000 14.573 0 167 THR A O   1 ? 
ATOM   1267 C CB  . THR A 1 167 ? -5.384  -23.696 11.573  1.000 13.488 0 167 THR A CB  1 ? 
ATOM   1268 O OG1 . THR A 1 167 ? -5.044  -23.413 10.210  1.000 13.014 0 167 THR A OG1 1 ? 
ATOM   1269 C CG2 . THR A 1 167 ? -4.839  -22.651 12.520  1.000 14.903 0 167 THR A CG2 1 ? 
ATOM   1270 N N   . GLU A 1 168 ? -6.621  -26.397 10.884  1.000 14.348 0 168 GLU A N   1 ? 
ATOM   1271 C CA  A GLU A 1 168 ? -7.202  -27.298 9.898   0.420 15.449 0 168 GLU A CA  1 ? 
ATOM   1272 C CA  B GLU A 1 168 ? -7.179  -27.305 9.898   0.580 15.331 0 168 GLU A CA  1 ? 
ATOM   1273 C C   . GLU A 1 168 ? -6.831  -26.787 8.504   1.000 15.399 0 168 GLU A C   1 ? 
ATOM   1274 O O   . GLU A 1 168 ? -6.477  -27.557 7.620   1.000 15.849 0 168 GLU A O   1 ? 
ATOM   1275 C CB  A GLU A 1 168 ? -8.720  -27.400 10.018  0.420 19.150 0 168 GLU A CB  1 ? 
ATOM   1276 C CB  B GLU A 1 168 ? -8.672  -27.487 10.113  0.580 19.530 0 168 GLU A CB  1 ? 
ATOM   1277 C CG  A GLU A 1 168 ? -9.296  -28.631 9.316   0.420 21.847 0 168 GLU A CG  1 ? 
ATOM   1278 C CG  B GLU A 1 168 ? -8.960  -28.544 11.170  0.580 22.783 0 168 GLU A CG  1 ? 
ATOM   1279 C CD  A GLU A 1 168 ? -10.766 -28.541 8.926   0.420 25.787 0 168 GLU A CD  1 ? 
ATOM   1280 C CD  B GLU A 1 168 ? -8.210  -29.847 10.933  0.580 24.970 0 168 GLU A CD  1 ? 
ATOM   1281 O OE1 A GLU A 1 168 ? -11.594 -28.013 9.696   0.420 28.842 0 168 GLU A OE1 1 ? 
ATOM   1282 O OE1 B GLU A 1 168 ? -8.636  -30.525 9.984   0.580 31.135 0 168 GLU A OE1 1 ? 
ATOM   1283 O OE2 A GLU A 1 168 ? -11.088 -29.031 7.822   0.420 31.189 0 168 GLU A OE2 1 ? 
ATOM   1284 O OE2 B GLU A 1 168 ? -7.177  -30.145 11.597  0.580 25.828 0 168 GLU A OE2 1 ? 
ATOM   1285 N N   . TYR A 1 169 ? -6.888  -25.473 8.337   1.000 13.386 0 169 TYR A N   1 ? 
ATOM   1286 C CA  . TYR A 1 169 ? -6.607  -24.889 7.036   1.000 12.698 0 169 TYR A CA  1 ? 
ATOM   1287 C C   . TYR A 1 169 ? -5.131  -24.969 6.673   1.000 13.832 0 169 TYR A C   1 ? 
ATOM   1288 O O   . TYR A 1 169 ? -4.790  -25.241 5.512   1.000 14.599 0 169 TYR A O   1 ? 
ATOM   1289 C CB  . TYR A 1 169 ? -7.146  -23.461 6.950   1.000 13.306 0 169 TYR A CB  1 ? 
ATOM   1290 C CG  . TYR A 1 169 ? -8.647  -23.358 7.123   1.000 13.628 0 169 TYR A CG  1 ? 
ATOM   1291 C CD1 . TYR A 1 169 ? -9.508  -24.019 6.255   1.000 14.382 0 169 TYR A CD1 1 ? 
ATOM   1292 C CD2 . TYR A 1 169 ? -9.206  -22.586 8.127   1.000 13.837 0 169 TYR A CD2 1 ? 
ATOM   1293 C CE1 . TYR A 1 169 ? -10.868 -23.920 6.389   1.000 15.328 0 169 TYR A CE1 1 ? 
ATOM   1294 C CE2 . TYR A 1 169 ? -10.577 -22.466 8.278   1.000 14.957 0 169 TYR A CE2 1 ? 
ATOM   1295 C CZ  . TYR A 1 169 ? -11.405 -23.164 7.416   1.000 16.575 0 169 TYR A CZ  1 ? 
ATOM   1296 O OH  . TYR A 1 169 ? -12.760 -23.054 7.556   1.000 17.955 0 169 TYR A OH  1 ? 
ATOM   1297 N N   . SER A 1 170 ? -4.235  -24.618 7.570   1.000 12.605 0 170 SER A N   1 ? 
ATOM   1298 C CA  . SER A 1 170 ? -2.825  -24.660 7.270   1.000 14.596 0 170 SER A CA  1 ? 
ATOM   1299 C C   . SER A 1 170 ? -2.395  -26.093 6.944   1.000 14.961 0 170 SER A C   1 ? 
ATOM   1300 O O   . SER A 1 170 ? -1.552  -26.325 6.068   1.000 15.590 0 170 SER A O   1 ? 
ATOM   1301 C CB  . SER A 1 170 ? -2.031  -24.038 8.372   1.000 14.336 0 170 SER A CB  1 ? 
ATOM   1302 O OG  . SER A 1 170 ? -1.873  -24.913 9.480   1.000 14.906 0 170 SER A OG  1 ? 
ATOM   1303 N N   . ARG A 1 171 ? -3.024  -27.066 7.613   1.000 13.957 0 171 ARG A N   1 ? 
ATOM   1304 C CA  . ARG A 1 171 ? -2.649  -28.461 7.442   1.000 14.169 0 171 ARG A CA  1 ? 
ATOM   1305 C C   . ARG A 1 171 ? -3.010  -28.974 6.053   1.000 15.087 0 171 ARG A C   1 ? 
ATOM   1306 O O   . ARG A 1 171 ? -2.354  -29.906 5.558   1.000 16.064 0 171 ARG A O   1 ? 
ATOM   1307 C CB  . ARG A 1 171 ? -3.305  -29.315 8.537   1.000 16.174 0 171 ARG A CB  1 ? 
ATOM   1308 C CG  . ARG A 1 171 ? -2.604  -29.170 9.872   1.000 17.290 0 171 ARG A CG  1 ? 
ATOM   1309 C CD  . ARG A 1 171 ? -3.261  -30.176 10.842  1.000 19.166 0 171 ARG A CD  1 ? 
ATOM   1310 N NE  . ARG A 1 171 ? -2.746  -30.048 12.202  1.000 21.304 0 171 ARG A NE  1 ? 
ATOM   1311 C CZ  . ARG A 1 171 ? -3.318  -29.298 13.148  1.000 22.372 0 171 ARG A CZ  1 ? 
ATOM   1312 N NH1 . ARG A 1 171 ? -4.515  -28.772 12.965  1.000 23.154 0 171 ARG A NH1 1 ? 
ATOM   1313 N NH2 . ARG A 1 171 ? -2.685  -29.118 14.297  1.000 25.155 0 171 ARG A NH2 1 ? 
ATOM   1314 N N   . PHE A 1 172 ? -4.025  -28.370 5.453   1.000 14.558 0 172 PHE A N   1 ? 
ATOM   1315 C CA  . PHE A 1 172 ? -4.478  -28.669 4.110   1.000 14.304 0 172 PHE A CA  1 ? 
ATOM   1316 C C   . PHE A 1 172 ? -3.352  -28.327 3.139   1.000 14.869 0 172 PHE A C   1 ? 
ATOM   1317 O O   . PHE A 1 172 ? -2.931  -29.190 2.359   1.000 16.503 0 172 PHE A O   1 ? 
ATOM   1318 C CB  . PHE A 1 172 ? -5.805  -28.012 3.771   1.000 16.249 0 172 PHE A CB  1 ? 
ATOM   1319 C CG  . PHE A 1 172 ? -6.020  -27.886 2.281   1.000 16.666 0 172 PHE A CG  1 ? 
ATOM   1320 C CD1 . PHE A 1 172 ? -6.408  -28.980 1.530   1.000 18.526 0 172 PHE A CD1 1 ? 
ATOM   1321 C CD2 . PHE A 1 172 ? -5.754  -26.698 1.621   1.000 17.114 0 172 PHE A CD2 1 ? 
ATOM   1322 C CE1 . PHE A 1 172 ? -6.534  -28.891 0.147   1.000 18.901 0 172 PHE A CE1 1 ? 
ATOM   1323 C CE2 . PHE A 1 172 ? -5.868  -26.635 0.248   1.000 17.589 0 172 PHE A CE2 1 ? 
ATOM   1324 C CZ  . PHE A 1 172 ? -6.274  -27.724 -0.489  1.000 18.551 0 172 PHE A CZ  1 ? 
ATOM   1325 N N   . PHE A 1 173 ? -2.860  -27.092 3.221   1.000 14.488 0 173 PHE A N   1 ? 
ATOM   1326 C CA  . PHE A 1 173 ? -1.771  -26.683 2.341   1.000 13.964 0 173 PHE A CA  1 ? 
ATOM   1327 C C   . PHE A 1 173 ? -0.548  -27.540 2.601   1.000 14.127 0 173 PHE A C   1 ? 
ATOM   1328 O O   . PHE A 1 173 ? 0.150   -27.893 1.668   1.000 15.488 0 173 PHE A O   1 ? 
ATOM   1329 C CB  . PHE A 1 173 ? -1.476  -25.200 2.506   1.000 14.183 0 173 PHE A CB  1 ? 
ATOM   1330 C CG  . PHE A 1 173 ? -2.557  -24.272 1.985   1.000 13.476 0 173 PHE A CG  1 ? 
ATOM   1331 C CD1 . PHE A 1 173 ? -2.529  -23.868 0.669   1.000 14.378 0 173 PHE A CD1 1 ? 
ATOM   1332 C CD2 . PHE A 1 173 ? -3.536  -23.772 2.816   1.000 15.323 0 173 PHE A CD2 1 ? 
ATOM   1333 C CE1 . PHE A 1 173 ? -3.489  -23.017 0.187   1.000 16.451 0 173 PHE A CE1 1 ? 
ATOM   1334 C CE2 . PHE A 1 173 ? -4.506  -22.947 2.319   1.000 14.726 0 173 PHE A CE2 1 ? 
ATOM   1335 C CZ  . PHE A 1 173 ? -4.446  -22.536 1.000   1.000 15.621 0 173 PHE A CZ  1 ? 
ATOM   1336 N N   . LYS A 1 174 ? -0.246  -27.855 3.851   1.000 14.709 0 174 LYS A N   1 ? 
ATOM   1337 C CA  . LYS A 1 174 ? 0.975   -28.557 4.206   1.000 14.053 0 174 LYS A CA  1 ? 
ATOM   1338 C C   . LYS A 1 174 ? 0.917   -30.004 3.731   1.000 14.719 0 174 LYS A C   1 ? 
ATOM   1339 O O   . LYS A 1 174 ? 1.941   -30.559 3.361   1.000 16.989 0 174 LYS A O   1 ? 
ATOM   1340 C CB  . LYS A 1 174 ? 1.209   -28.459 5.711   1.000 15.547 0 174 LYS A CB  1 ? 
ATOM   1341 C CG  . LYS A 1 174 ? 2.614   -28.851 6.125   1.000 17.480 0 174 LYS A CG  1 ? 
ATOM   1342 C CD  . LYS A 1 174 ? 3.633   -27.889 5.531   1.000 19.836 0 174 LYS A CD  1 ? 
ATOM   1343 C CE  . LYS A 1 174 ? 4.954   -28.015 6.228   1.000 21.110 0 174 LYS A CE  1 ? 
ATOM   1344 N NZ  . LYS A 1 174 ? 5.924   -27.039 5.713   1.000 22.404 0 174 LYS A NZ  1 ? 
ATOM   1345 N N   . ARG A 1 175 ? -0.281  -30.615 3.717   1.000 16.160 0 175 ARG A N   1 ? 
ATOM   1346 C CA  . ARG A 1 175 ? -0.425  -32.000 3.303   1.000 18.646 0 175 ARG A CA  1 ? 
ATOM   1347 C C   . ARG A 1 175 ? -0.110  -32.104 1.812   1.000 19.076 0 175 ARG A C   1 ? 
ATOM   1348 O O   . ARG A 1 175 ? 0.508   -33.071 1.361   1.000 18.999 0 175 ARG A O   1 ? 
ATOM   1349 C CB  . ARG A 1 175 ? -1.859  -32.451 3.608   1.000 23.258 0 175 ARG A CB  1 ? 
ATOM   1350 C CG  . ARG A 1 175 ? -2.238  -33.820 3.076   1.000 27.243 0 175 ARG A CG  1 ? 
ATOM   1351 C CD  . ARG A 1 175 ? -3.581  -34.338 3.617   1.000 27.880 0 175 ARG A CD  1 ? 
ATOM   1352 N NE  . ARG A 1 175 ? -4.776  -33.593 3.203   1.000 33.440 0 175 ARG A NE  1 ? 
ATOM   1353 C CZ  . ARG A 1 175 ? -5.403  -33.720 2.037   1.000 30.931 0 175 ARG A CZ  1 ? 
ATOM   1354 N NH1 . ARG A 1 175 ? -4.927  -34.529 1.110   1.000 35.195 0 175 ARG A NH1 1 ? 
ATOM   1355 N NH2 . ARG A 1 175 ? -6.499  -33.027 1.809   1.000 33.158 0 175 ARG A NH2 1 ? 
ATOM   1356 N N   . LEU A 1 176 ? -0.564  -31.105 1.044   1.000 16.524 0 176 LEU A N   1 ? 
ATOM   1357 C CA  . LEU A 1 176 ? -0.423  -31.141 -0.405  1.000 17.521 0 176 LEU A CA  1 ? 
ATOM   1358 C C   . LEU A 1 176 ? 0.950   -30.645 -0.845  1.000 19.743 0 176 LEU A C   1 ? 
ATOM   1359 O O   . LEU A 1 176 ? 1.447   -31.108 -1.897  1.000 18.549 0 176 LEU A O   1 ? 
ATOM   1360 C CB  . LEU A 1 176 ? -1.554  -30.373 -1.079  1.000 19.853 0 176 LEU A CB  1 ? 
ATOM   1361 C CG  . LEU A 1 176 ? -2.905  -31.100 -1.077  1.000 25.672 0 176 LEU A CG  1 ? 
ATOM   1362 C CD1 . LEU A 1 176 ? -3.960  -30.367 -1.863  1.000 27.135 0 176 LEU A CD1 1 ? 
ATOM   1363 C CD2 . LEU A 1 176 ? -2.736  -32.505 -1.645  1.000 30.442 0 176 LEU A CD2 1 ? 
ATOM   1364 N N   . CYS A 1 177 ? 1.544   -29.736 -0.056  1.000 15.692 0 177 CYS A N   1 ? 
ATOM   1365 C CA  . CYS A 1 177 ? 2.829   -29.155 -0.422  1.000 16.389 0 177 CYS A CA  1 ? 
ATOM   1366 C C   . CYS A 1 177 ? 3.688   -29.020 0.812   1.000 16.331 0 177 CYS A C   1 ? 
ATOM   1367 O O   . CYS A 1 177 ? 3.775   -27.948 1.415   1.000 15.953 0 177 CYS A O   1 ? 
ATOM   1368 C CB  . CYS A 1 177 ? 2.641   -27.799 -1.055  1.000 15.761 0 177 CYS A CB  1 ? 
ATOM   1369 S SG  . CYS A 1 177 ? 2.189   -27.952 -2.791  1.000 16.363 0 177 CYS A SG  1 ? 
ATOM   1370 N N   . PRO A 1 178 ? 4.315   -30.119 1.237   1.000 17.696 0 178 PRO A N   1 ? 
ATOM   1371 C CA  . PRO A 1 178 ? 5.148   -30.081 2.433   1.000 18.073 0 178 PRO A CA  1 ? 
ATOM   1372 C C   . PRO A 1 178 ? 6.346   -29.139 2.404   1.000 18.826 0 178 PRO A C   1 ? 
ATOM   1373 O O   . PRO A 1 178 ? 6.828   -28.712 3.449   1.000 19.505 0 178 PRO A O   1 ? 
ATOM   1374 C CB  . PRO A 1 178 ? 5.643   -31.534 2.552   1.000 20.669 0 178 PRO A CB  1 ? 
ATOM   1375 C CG  . PRO A 1 178 ? 4.856   -32.352 1.606   1.000 21.688 0 178 PRO A CG  1 ? 
ATOM   1376 C CD  . PRO A 1 178 ? 4.156   -31.468 0.644   1.000 18.320 0 178 PRO A CD  1 ? 
ATOM   1377 N N   . ASP A 1 179 ? 6.860   -28.848 1.209   1.000 19.350 0 179 ASP A N   1 ? 
ATOM   1378 C CA  A ASP A 1 179 ? 8.058   -28.047 1.104   0.880 21.820 0 179 ASP A CA  1 ? 
ATOM   1379 C CA  B ASP A 1 179 ? 8.072   -28.058 1.106   0.120 19.707 0 179 ASP A CA  1 ? 
ATOM   1380 C C   . ASP A 1 179 ? 7.752   -26.563 1.000   1.000 21.113 0 179 ASP A C   1 ? 
ATOM   1381 O O   . ASP A 1 179 ? 8.629   -25.783 0.707   1.000 24.378 0 179 ASP A O   1 ? 
ATOM   1382 C CB  A ASP A 1 179 ? 8.910   -28.528 -0.054  0.880 23.476 0 179 ASP A CB  1 ? 
ATOM   1383 C CB  B ASP A 1 179 ? 8.952   -28.639 0.010   0.120 19.223 0 179 ASP A CB  1 ? 
ATOM   1384 C CG  A ASP A 1 179 ? 9.512   -29.898 0.186   0.880 30.698 0 179 ASP A CG  1 ? 
ATOM   1385 C CG  B ASP A 1 179 ? 9.099   -30.155 0.074   0.120 19.266 0 179 ASP A CG  1 ? 
ATOM   1386 O OD1 A ASP A 1 179 ? 9.876   -30.175 1.365   0.880 36.894 0 179 ASP A OD1 1 ? 
ATOM   1387 O OD1 B ASP A 1 179 ? 9.444   -30.671 1.161   0.120 19.029 0 179 ASP A OD1 1 ? 
ATOM   1388 O OD2 A ASP A 1 179 ? 9.565   -30.680 -0.784  0.880 33.509 0 179 ASP A OD2 1 ? 
ATOM   1389 O OD2 B ASP A 1 179 ? 8.842   -30.814 -0.953  0.120 18.847 0 179 ASP A OD2 1 ? 
ATOM   1390 N N   . ALA A 1 180 ? 6.503   -26.154 1.248   1.000 16.378 0 180 ALA A N   1 ? 
ATOM   1391 C CA  . ALA A 1 180 ? 6.159   -24.745 1.221   1.000 14.911 0 180 ALA A CA  1 ? 
ATOM   1392 C C   . ALA A 1 180 ? 5.660   -24.328 2.597   1.000 15.225 0 180 ALA A C   1 ? 
ATOM   1393 O O   . ALA A 1 180 ? 4.996   -25.122 3.270   1.000 15.720 0 180 ALA A O   1 ? 
ATOM   1394 C CB  . ALA A 1 180 ? 5.070   -24.476 0.218   1.000 16.371 0 180 ALA A CB  1 ? 
ATOM   1395 N N   . PHE A 1 181 ? 5.892   -23.071 2.957   1.000 14.157 0 181 PHE A N   1 ? 
ATOM   1396 C CA  . PHE A 1 181 ? 5.337   -22.557 4.209   1.000 14.852 0 181 PHE A CA  1 ? 
ATOM   1397 C C   . PHE A 1 181 ? 3.816   -22.591 4.165   1.000 14.721 0 181 PHE A C   1 ? 
ATOM   1398 O O   . PHE A 1 181 ? 3.213   -22.121 3.215   1.000 14.420 0 181 PHE A O   1 ? 
ATOM   1399 C CB  . PHE A 1 181 ? 5.733   -21.104 4.398   1.000 15.360 0 181 PHE A CB  1 ? 
ATOM   1400 C CG  . PHE A 1 181 ? 7.144   -20.903 4.915   1.000 16.930 0 181 PHE A CG  1 ? 
ATOM   1401 C CD1 . PHE A 1 181 ? 8.231   -20.882 4.056   1.000 19.096 0 181 PHE A CD1 1 ? 
ATOM   1402 C CD2 . PHE A 1 181 ? 7.380   -20.753 6.270   1.000 19.252 0 181 PHE A CD2 1 ? 
ATOM   1403 C CE1 . PHE A 1 181 ? 9.509   -20.705 4.567   1.000 21.885 0 181 PHE A CE1 1 ? 
ATOM   1404 C CE2 . PHE A 1 181 ? 8.656   -20.621 6.774   1.000 20.409 0 181 PHE A CE2 1 ? 
ATOM   1405 C CZ  . PHE A 1 181 ? 9.712   -20.559 5.915   1.000 22.657 0 181 PHE A CZ  1 ? 
ATOM   1406 N N   . SER A 1 182 ? 3.184   -23.067 5.243   1.000 15.061 0 182 SER A N   1 ? 
ATOM   1407 C CA  . SER A 1 182 ? 1.721   -23.176 5.284   1.000 14.426 0 182 SER A CA  1 ? 
ATOM   1408 C C   . SER A 1 182 ? 1.073   -22.175 6.245   1.000 16.118 0 182 SER A C   1 ? 
ATOM   1409 O O   . SER A 1 182 ? -0.132  -21.926 6.138   1.000 17.779 0 182 SER A O   1 ? 
ATOM   1410 C CB  . SER A 1 182 ? 1.289   -24.566 5.609   1.000 15.029 0 182 SER A CB  1 ? 
ATOM   1411 O OG  . SER A 1 182 ? 1.650   -24.975 6.931   1.000 16.337 0 182 SER A OG  1 ? 
ATOM   1412 N N   . TYR A 1 183 ? 1.862   -21.642 7.181   1.000 13.985 0 183 TYR A N   1 ? 
ATOM   1413 C CA  . TYR A 1 183 ? 1.422   -20.607 8.100   1.000 16.367 0 183 TYR A CA  1 ? 
ATOM   1414 C C   . TYR A 1 183 ? 2.665   -19.887 8.607   1.000 17.197 0 183 TYR A C   1 ? 
ATOM   1415 O O   . TYR A 1 183 ? 3.793   -20.332 8.373   1.000 17.868 0 183 TYR A O   1 ? 
ATOM   1416 C CB  . TYR A 1 183 ? 0.540   -21.196 9.208   1.000 17.349 0 183 TYR A CB  1 ? 
ATOM   1417 C CG  . TYR A 1 183 ? 1.259   -21.972 10.291  1.000 16.033 0 183 TYR A CG  1 ? 
ATOM   1418 C CD1 . TYR A 1 183 ? 1.671   -23.276 10.102  1.000 17.379 0 183 TYR A CD1 1 ? 
ATOM   1419 C CD2 . TYR A 1 183 ? 1.438   -21.420 11.577  1.000 16.363 0 183 TYR A CD2 1 ? 
ATOM   1420 C CE1 . TYR A 1 183 ? 2.322   -23.994 11.083  1.000 19.246 0 183 TYR A CE1 1 ? 
ATOM   1421 C CE2 . TYR A 1 183 ? 2.022   -22.162 12.594  1.000 17.226 0 183 TYR A CE2 1 ? 
ATOM   1422 C CZ  . TYR A 1 183 ? 2.514   -23.418 12.329  1.000 20.579 0 183 TYR A CZ  1 ? 
ATOM   1423 O OH  . TYR A 1 183 ? 3.111   -24.097 13.348  1.000 22.813 0 183 TYR A OH  1 ? 
ATOM   1424 N N   . VAL A 1 184 ? 2.476   -18.781 9.323   1.000 18.752 0 184 VAL A N   1 ? 
ATOM   1425 C CA  . VAL A 1 184 ? 3.599   -17.900 9.627   1.000 22.248 0 184 VAL A CA  1 ? 
ATOM   1426 C C   . VAL A 1 184 ? 4.682   -18.631 10.420  1.000 22.653 0 184 VAL A C   1 ? 
ATOM   1427 O O   . VAL A 1 184 ? 5.860   -18.416 10.135  1.000 24.289 0 184 VAL A O   1 ? 
ATOM   1428 C CB  . VAL A 1 184 ? 3.098   -16.627 10.352  1.000 25.277 0 184 VAL A CB  1 ? 
ATOM   1429 C CG1 . VAL A 1 184 ? 4.239   -15.847 10.992  1.000 28.809 0 184 VAL A CG1 1 ? 
ATOM   1430 C CG2 . VAL A 1 184 ? 2.284   -15.750 9.431   1.000 25.346 0 184 VAL A CG2 1 ? 
ATOM   1431 N N   . LEU A 1 185 ? 4.317   -19.465 11.409  1.000 20.996 0 185 LEU A N   1 ? 
ATOM   1432 C CA  . LEU A 1 185 ? 5.289   -20.095 12.294  1.000 23.130 0 185 LEU A CA  1 ? 
ATOM   1433 C C   . LEU A 1 185 ? 5.584   -21.539 11.913  1.000 22.341 0 185 LEU A C   1 ? 
ATOM   1434 O O   . LEU A 1 185 ? 6.060   -22.334 12.722  1.000 22.933 0 185 LEU A O   1 ? 
ATOM   1435 C CB  . LEU A 1 185 ? 4.839   -19.988 13.748  1.000 26.710 0 185 LEU A CB  1 ? 
ATOM   1436 C CG  . LEU A 1 185 ? 5.054   -18.619 14.391  1.000 30.284 0 185 LEU A CG  1 ? 
ATOM   1437 C CD1 . LEU A 1 185 ? 4.525   -18.713 15.803  1.000 29.652 0 185 LEU A CD1 1 ? 
ATOM   1438 C CD2 . LEU A 1 185 ? 6.493   -18.143 14.364  1.000 33.738 0 185 LEU A CD2 1 ? 
ATOM   1439 N N   . ASP A 1 186 ? 5.318   -21.896 10.658  1.000 18.554 0 186 ASP A N   1 ? 
ATOM   1440 C CA  . ASP A 1 186 ? 5.629   -23.219 10.187  1.000 18.532 0 186 ASP A CA  1 ? 
ATOM   1441 C C   . ASP A 1 186 ? 7.128   -23.489 10.360  1.000 20.322 0 186 ASP A C   1 ? 
ATOM   1442 O O   . ASP A 1 186 ? 7.904   -22.548 10.273  1.000 24.040 0 186 ASP A O   1 ? 
ATOM   1443 C CB  . ASP A 1 186 ? 5.192   -23.305 8.739   1.000 17.133 0 186 ASP A CB  1 ? 
ATOM   1444 C CG  . ASP A 1 186 ? 4.843   -24.688 8.235   1.000 18.169 0 186 ASP A CG  1 ? 
ATOM   1445 O OD1 . ASP A 1 186 ? 5.044   -25.675 8.960   1.000 19.932 0 186 ASP A OD1 1 ? 
ATOM   1446 O OD2 . ASP A 1 186 ? 4.358   -24.800 7.107   1.000 17.668 0 186 ASP A OD2 1 ? 
ATOM   1447 N N   . LYS A 1 187 ? 7.500   -24.746 10.564  1.000 23.067 0 187 LYS A N   1 ? 
ATOM   1448 C CA  . LYS A 1 187 ? 8.905   -25.123 10.572  1.000 26.027 0 187 LYS A CA  1 ? 
ATOM   1449 C C   . LYS A 1 187 ? 9.466   -24.726 9.206   1.000 24.217 0 187 LYS A C   1 ? 
ATOM   1450 O O   . LYS A 1 187 ? 8.920   -25.129 8.182   1.000 24.063 0 187 LYS A O   1 ? 
ATOM   1451 C CB  . LYS A 1 187 ? 9.075   -26.629 10.780  1.000 31.006 0 187 LYS A CB  1 ? 
ATOM   1452 C CG  . LYS A 1 187 ? 10.515  -27.074 11.057  1.000 37.376 0 187 LYS A CG  1 ? 
ATOM   1453 C CD  . LYS A 1 187 ? 10.643  -28.517 11.539  1.000 45.795 0 187 LYS A CD  1 ? 
ATOM   1454 C CE  . LYS A 1 187 ? 10.785  -29.534 10.435  1.000 49.196 0 187 LYS A CE  1 ? 
ATOM   1455 N NZ  . LYS A 1 187 ? 12.185  -29.798 10.091  0.900 51.005 0 187 LYS A NZ  1 ? 
ATOM   1456 N N   . PRO A 1 188 ? 10.528  -23.888 9.160   1.000 27.640 0 188 PRO A N   1 ? 
ATOM   1457 C CA  . PRO A 1 188 ? 10.995  -23.310 7.900   1.000 28.730 0 188 PRO A CA  1 ? 
ATOM   1458 C C   . PRO A 1 188 ? 11.371  -24.380 6.889   1.000 25.967 0 188 PRO A C   1 ? 
ATOM   1459 O O   . PRO A 1 188 ? 11.995  -25.394 7.222   1.000 27.181 0 188 PRO A O   1 ? 
ATOM   1460 C CB  . PRO A 1 188 ? 12.186  -22.432 8.281   1.000 29.370 0 188 PRO A CB  1 ? 
ATOM   1461 C CG  . PRO A 1 188 ? 11.944  -22.134 9.747   1.000 31.953 0 188 PRO A CG  1 ? 
ATOM   1462 C CD  . PRO A 1 188 ? 11.298  -23.394 10.321  1.000 31.866 0 188 PRO A CD  1 ? 
ATOM   1463 N N   . THR A 1 189 ? 10.968  -24.119 5.644   1.000 23.220 0 189 THR A N   1 ? 
ATOM   1464 C CA  . THR A 1 189 ? 11.394  -24.921 4.507   1.000 22.099 0 189 THR A CA  1 ? 
ATOM   1465 C C   . THR A 1 189 ? 12.325  -24.108 3.614   1.000 21.759 0 189 THR A C   1 ? 
ATOM   1466 O O   . THR A 1 189 ? 12.477  -24.404 2.433   1.000 23.026 0 189 THR A O   1 ? 
ATOM   1467 C CB  . THR A 1 189 ? 10.172  -25.409 3.739   1.000 24.081 0 189 THR A CB  1 ? 
ATOM   1468 O OG1 . THR A 1 189 ? 9.369   -24.261 3.517   1.000 24.924 0 189 THR A OG1 1 ? 
ATOM   1469 C CG2 . THR A 1 189 ? 9.439   -26.487 4.515   1.000 27.671 0 189 THR A CG2 1 ? 
ATOM   1470 N N   . THR A 1 190 ? 12.926  -23.075 4.187   1.000 20.186 0 190 THR A N   1 ? 
ATOM   1471 C CA  . THR A 1 190 ? 13.882  -22.261 3.463   1.000 21.767 0 190 THR A CA  1 ? 
ATOM   1472 C C   . THR A 1 190 ? 15.068  -23.136 3.055   1.000 22.248 0 190 THR A C   1 ? 
ATOM   1473 O O   . THR A 1 190 ? 15.557  -23.929 3.860   1.000 21.576 0 190 THR A O   1 ? 
ATOM   1474 C CB  . THR A 1 190 ? 14.288  -21.088 4.352   1.000 24.054 0 190 THR A CB  1 ? 
ATOM   1475 O OG1 . THR A 1 190 ? 13.068  -20.411 4.695   1.000 28.535 0 190 THR A OG1 1 ? 
ATOM   1476 C CG2 . THR A 1 190 ? 15.219  -20.125 3.631   1.000 24.709 0 190 THR A CG2 1 ? 
ATOM   1477 N N   . VAL A 1 191 ? 15.569  -22.885 1.846   1.000 19.911 0 191 VAL A N   1 ? 
ATOM   1478 C CA  . VAL A 1 191 ? 16.811  -23.455 1.358   1.000 21.557 0 191 VAL A CA  1 ? 
ATOM   1479 C C   . VAL A 1 191 ? 17.899  -22.392 1.347   1.000 19.287 0 191 VAL A C   1 ? 
ATOM   1480 O O   . VAL A 1 191 ? 17.689  -21.254 0.915   1.000 20.698 0 191 VAL A O   1 ? 
ATOM   1481 C CB  . VAL A 1 191 ? 16.590  -24.037 -0.050  1.000 21.366 0 191 VAL A CB  1 ? 
ATOM   1482 C CG1 . VAL A 1 191 ? 17.889  -24.580 -0.646  1.000 22.742 0 191 VAL A CG1 1 ? 
ATOM   1483 C CG2 . VAL A 1 191 ? 15.518  -25.119 -0.056  1.000 24.478 0 191 VAL A CG2 1 ? 
ATOM   1484 N N   . THR A 1 192 ? 19.104  -22.807 1.784   1.000 20.690 0 192 THR A N   1 ? 
ATOM   1485 C CA  . THR A 1 192 ? 20.273  -21.953 1.785   1.000 21.995 0 192 THR A CA  1 ? 
ATOM   1486 C C   . THR A 1 192 ? 21.088  -22.330 0.558   1.000 20.550 0 192 THR A C   1 ? 
ATOM   1487 O O   . THR A 1 192 ? 21.457  -23.496 0.414   1.000 23.872 0 192 THR A O   1 ? 
ATOM   1488 C CB  . THR A 1 192 ? 21.125  -22.130 3.045   1.000 23.911 0 192 THR A CB  1 ? 
ATOM   1489 O OG1 . THR A 1 192 ? 20.293  -21.892 4.179   1.000 26.204 0 192 THR A OG1 1 ? 
ATOM   1490 C CG2 . THR A 1 192 ? 22.321  -21.191 3.040   1.000 24.949 0 192 THR A CG2 1 ? 
ATOM   1491 N N   . CYS A 1 193 ? 21.328  -21.332 -0.291  1.000 19.647 0 193 CYS A N   1 ? 
ATOM   1492 C CA  . CYS A 1 193 ? 22.145  -21.486 -1.481  1.000 21.220 0 193 CYS A CA  1 ? 
ATOM   1493 C C   . CYS A 1 193 ? 23.380  -20.608 -1.341  1.000 20.307 0 193 CYS A C   1 ? 
ATOM   1494 O O   . CYS A 1 193 ? 23.373  -19.634 -0.590  1.000 21.639 0 193 CYS A O   1 ? 
ATOM   1495 C CB  . CYS A 1 193 ? 21.401  -21.039 -2.720  1.000 21.299 0 193 CYS A CB  1 ? 
ATOM   1496 S SG  . CYS A 1 193 ? 20.035  -22.147 -3.122  1.000 23.062 0 193 CYS A SG  1 ? 
ATOM   1497 N N   . PRO A 1 194 ? 24.440  -20.886 -2.127  1.000 22.740 0 194 PRO A N   1 ? 
ATOM   1498 C CA  . PRO A 1 194 ? 25.571  -19.969 -2.222  1.000 24.056 0 194 PRO A CA  1 ? 
ATOM   1499 C C   . PRO A 1 194 ? 25.120  -18.581 -2.601  1.000 23.778 0 194 PRO A C   1 ? 
ATOM   1500 O O   . PRO A 1 194 ? 24.272  -18.438 -3.485  1.000 20.953 0 194 PRO A O   1 ? 
ATOM   1501 C CB  . PRO A 1 194 ? 26.403  -20.610 -3.361  1.000 26.103 0 194 PRO A CB  1 ? 
ATOM   1502 C CG  . PRO A 1 194 ? 26.108  -22.060 -3.250  1.000 25.091 0 194 PRO A CG  1 ? 
ATOM   1503 C CD  . PRO A 1 194 ? 24.620  -22.098 -2.940  1.000 25.866 0 194 PRO A CD  1 ? 
ATOM   1504 N N   . GLY A 1 195 ? 25.779  -17.580 -2.000  1.000 22.866 0 195 GLY A N   1 ? 
ATOM   1505 C CA  . GLY A 1 195 ? 25.614  -16.189 -2.372  1.000 19.720 0 195 GLY A CA  1 ? 
ATOM   1506 C C   . GLY A 1 195 ? 25.833  -15.988 -3.866  1.000 21.810 0 195 GLY A C   1 ? 
ATOM   1507 O O   . GLY A 1 195 ? 26.740  -16.601 -4.432  1.000 23.071 0 195 GLY A O   1 ? 
ATOM   1508 N N   . SER A 1 196 ? 24.940  -15.208 -4.485  1.000 18.643 0 196 SER A N   1 ? 
ATOM   1509 C CA  . SER A 1 196 ? 25.037  -14.878 -5.896  1.000 20.525 0 196 SER A CA  1 ? 
ATOM   1510 C C   . SER A 1 196 ? 24.710  -16.067 -6.805  1.000 22.414 0 196 SER A C   1 ? 
ATOM   1511 O O   . SER A 1 196 ? 25.238  -16.170 -7.920  1.000 22.531 0 196 SER A O   1 ? 
ATOM   1512 C CB  . SER A 1 196 ? 26.418  -14.309 -6.223  1.000 25.080 0 196 SER A CB  1 ? 
ATOM   1513 O OG  . SER A 1 196 ? 26.543  -12.987 -5.731  1.000 29.563 0 196 SER A OG  1 ? 
ATOM   1514 N N   . SER A 1 197 ? 23.829  -16.955 -6.353  1.000 20.590 0 197 SER A N   1 ? 
ATOM   1515 C CA  . SER A 1 197 ? 23.305  -18.009 -7.203  1.000 20.970 0 197 SER A CA  1 ? 
ATOM   1516 C C   . SER A 1 197 ? 22.353  -17.399 -8.233  1.000 18.520 0 197 SER A C   1 ? 
ATOM   1517 O O   . SER A 1 197 ? 21.902  -16.292 -8.074  1.000 20.797 0 197 SER A O   1 ? 
ATOM   1518 C CB  . SER A 1 197 ? 22.607  -19.079 -6.396  1.000 20.512 0 197 SER A CB  1 ? 
ATOM   1519 O OG  . SER A 1 197 ? 23.486  -19.836 -5.560  1.000 22.676 0 197 SER A OG  1 ? 
ATOM   1520 N N   . ASN A 1 198 ? 22.034  -18.150 -9.282  1.000 18.838 0 198 ASN A N   1 ? 
ATOM   1521 C CA  . ASN A 1 198 ? 21.015  -17.762 -10.242 1.000 17.922 0 198 ASN A CA  1 ? 
ATOM   1522 C C   . ASN A 1 198 ? 19.910  -18.809 -10.195 1.000 16.637 0 198 ASN A C   1 ? 
ATOM   1523 O O   . ASN A 1 198 ? 20.127  -19.916 -9.718  1.000 18.146 0 198 ASN A O   1 ? 
ATOM   1524 C CB  . ASN A 1 198 ? 21.579  -17.717 -11.652 1.000 17.800 0 198 ASN A CB  1 ? 
ATOM   1525 C CG  . ASN A 1 198 ? 22.626  -16.643 -11.811 1.000 21.364 0 198 ASN A CG  1 ? 
ATOM   1526 O OD1 . ASN A 1 198 ? 22.500  -15.534 -11.281 1.000 22.122 0 198 ASN A OD1 1 ? 
ATOM   1527 N ND2 . ASN A 1 198 ? 23.671  -16.976 -12.561 1.000 28.949 0 198 ASN A ND2 1 ? 
ATOM   1528 N N   . TYR A 1 199 ? 18.742  -18.461 -10.742 1.000 17.153 0 199 TYR A N   1 ? 
ATOM   1529 C CA  . TYR A 1 199 ? 17.550  -19.263 -10.456 1.000 17.391 0 199 TYR A CA  1 ? 
ATOM   1530 C C   . TYR A 1 199 ? 16.602  -19.295 -11.642 1.000 14.769 0 199 TYR A C   1 ? 
ATOM   1531 O O   . TYR A 1 199 ? 16.654  -18.441 -12.522 1.000 16.824 0 199 TYR A O   1 ? 
ATOM   1532 C CB  . TYR A 1 199 ? 16.735  -18.673 -9.294  1.000 16.564 0 199 TYR A CB  1 ? 
ATOM   1533 C CG  . TYR A 1 199 ? 17.532  -18.560 -7.991  1.000 16.979 0 199 TYR A CG  1 ? 
ATOM   1534 C CD1 . TYR A 1 199 ? 17.677  -19.636 -7.139  1.000 16.474 0 199 TYR A CD1 1 ? 
ATOM   1535 C CD2 . TYR A 1 199 ? 18.239  -17.402 -7.708  1.000 17.268 0 199 TYR A CD2 1 ? 
ATOM   1536 C CE1 . TYR A 1 199 ? 18.440  -19.546 -5.989  1.000 17.446 0 199 TYR A CE1 1 ? 
ATOM   1537 C CE2 . TYR A 1 199 ? 19.017  -17.306 -6.570  1.000 17.531 0 199 TYR A CE2 1 ? 
ATOM   1538 C CZ  . TYR A 1 199 ? 19.112  -18.376 -5.711  1.000 18.535 0 199 TYR A CZ  1 ? 
ATOM   1539 O OH  . TYR A 1 199 ? 19.893  -18.312 -4.581  1.000 21.762 0 199 TYR A OH  1 ? 
ATOM   1540 N N   . ARG A 1 200 ? 15.688  -20.271 -11.567 1.000 15.423 0 200 ARG A N   1 ? 
ATOM   1541 C CA  . ARG A 1 200 ? 14.590  -20.414 -12.504 1.000 15.483 0 200 ARG A CA  1 ? 
ATOM   1542 C C   . ARG A 1 200 ? 13.316  -20.663 -11.697 1.000 14.863 0 200 ARG A C   1 ? 
ATOM   1543 O O   . ARG A 1 200 ? 13.316  -21.536 -10.840 1.000 16.707 0 200 ARG A O   1 ? 
ATOM   1544 C CB  . ARG A 1 200 ? 14.802  -21.550 -13.506 1.000 16.625 0 200 ARG A CB  1 ? 
ATOM   1545 C CG  . ARG A 1 200 ? 13.644  -21.774 -14.471 1.000 17.427 0 200 ARG A CG  1 ? 
ATOM   1546 C CD  . ARG A 1 200 ? 13.856  -22.842 -15.496 1.000 18.928 0 200 ARG A CD  1 ? 
ATOM   1547 N NE  . ARG A 1 200 ? 14.953  -22.444 -16.388 1.000 22.675 0 200 ARG A NE  1 ? 
ATOM   1548 C CZ  . ARG A 1 200 ? 16.111  -23.076 -16.535 1.000 26.438 0 200 ARG A CZ  1 ? 
ATOM   1549 N NH1 . ARG A 1 200 ? 16.455  -24.120 -15.807 1.000 27.119 0 200 ARG A NH1 1 ? 
ATOM   1550 N NH2 . ARG A 1 200 ? 16.976  -22.614 -17.421 1.000 26.666 0 200 ARG A NH2 1 ? 
ATOM   1551 N N   . VAL A 1 201 ? 12.273  -19.911 -12.045 1.000 13.956 0 201 VAL A N   1 ? 
ATOM   1552 C CA  . VAL A 1 201 ? 10.927  -20.096 -11.516 1.000 13.861 0 201 VAL A CA  1 ? 
ATOM   1553 C C   . VAL A 1 201 ? 10.082  -20.608 -12.664 1.000 12.739 0 201 VAL A C   1 ? 
ATOM   1554 O O   . VAL A 1 201 ? 9.983   -19.914 -13.680 1.000 14.530 0 201 VAL A O   1 ? 
ATOM   1555 C CB  . VAL A 1 201 ? 10.353  -18.781 -10.984 1.000 14.625 0 201 VAL A CB  1 ? 
ATOM   1556 C CG1 . VAL A 1 201 ? 8.936   -18.980 -10.499 1.000 16.714 0 201 VAL A CG1 1 ? 
ATOM   1557 C CG2 . VAL A 1 201 ? 11.217  -18.239 -9.850  1.000 16.282 0 201 VAL A CG2 1 ? 
ATOM   1558 N N   . THR A 1 202 ? 9.513   -21.798 -12.486 1.000 13.076 0 202 THR A N   1 ? 
ATOM   1559 C CA  . THR A 1 202 ? 8.704   -22.447 -13.513 1.000 12.978 0 202 THR A CA  1 ? 
ATOM   1560 C C   . THR A 1 202 ? 7.280   -22.528 -12.988 1.000 14.157 0 202 THR A C   1 ? 
ATOM   1561 O O   . THR A 1 202 ? 7.039   -23.224 -11.979 1.000 15.302 0 202 THR A O   1 ? 
ATOM   1562 C CB  . THR A 1 202 ? 9.215   -23.846 -13.872 1.000 15.182 0 202 THR A CB  1 ? 
ATOM   1563 O OG1 . THR A 1 202 ? 10.600  -23.794 -14.200 1.000 16.585 0 202 THR A OG1 1 ? 
ATOM   1564 C CG2 . THR A 1 202 ? 8.453   -24.468 -15.039 1.000 16.967 0 202 THR A CG2 1 ? 
ATOM   1565 N N   . PHE A 1 203 ? 6.361   -21.898 -13.686 1.000 13.606 0 203 PHE A N   1 ? 
ATOM   1566 C CA  . PHE A 1 203 ? 4.936   -22.059 -13.428 1.000 12.801 0 203 PHE A CA  1 ? 
ATOM   1567 C C   . PHE A 1 203 ? 4.454   -23.318 -14.126 1.000 14.519 0 203 PHE A C   1 ? 
ATOM   1568 O O   . PHE A 1 203 ? 4.856   -23.607 -15.260 1.000 14.816 0 203 PHE A O   1 ? 
ATOM   1569 C CB  . PHE A 1 203 ? 4.107   -20.865 -13.866 1.000 13.353 0 203 PHE A CB  1 ? 
ATOM   1570 C CG  . PHE A 1 203 ? 4.606   -19.561 -13.291 1.000 14.375 0 203 PHE A CG  1 ? 
ATOM   1571 C CD1 . PHE A 1 203 ? 4.601   -19.350 -11.925 1.000 17.569 0 203 PHE A CD1 1 ? 
ATOM   1572 C CD2 . PHE A 1 203 ? 5.031   -18.544 -14.130 1.000 16.439 0 203 PHE A CD2 1 ? 
ATOM   1573 C CE1 . PHE A 1 203 ? 5.041   -18.130 -11.421 1.000 17.589 0 203 PHE A CE1 1 ? 
ATOM   1574 C CE2 . PHE A 1 203 ? 5.403   -17.322 -13.625 1.000 16.868 0 203 PHE A CE2 1 ? 
ATOM   1575 C CZ  . PHE A 1 203 ? 5.464   -17.150 -12.270 1.000 17.552 0 203 PHE A CZ  1 ? 
ATOM   1576 N N   . CYS A 1 204 ? 3.646   -24.091 -13.425 1.000 13.349 0 204 CYS A N   1 ? 
ATOM   1577 C CA  . CYS A 1 204 ? 3.102   -25.370 -13.910 1.000 14.003 0 204 CYS A CA  1 ? 
ATOM   1578 C C   . CYS A 1 204 ? 4.215   -26.322 -14.306 1.000 14.743 0 204 CYS A C   1 ? 
ATOM   1579 O O   . CYS A 1 204 ? 4.286   -26.788 -15.449 1.000 16.703 0 204 CYS A O   1 ? 
ATOM   1580 C CB  . CYS A 1 204 ? 2.103   -25.216 -15.053 1.000 14.474 0 204 CYS A CB  1 ? 
ATOM   1581 S SG  . CYS A 1 204 ? 0.680   -24.191 -14.648 1.000 15.680 0 204 CYS A SG  1 ? 
ATOM   1582 N N   . PRO A 1 205 ? 5.123   -26.675 -13.379 1.000 14.861 0 205 PRO A N   1 ? 
ATOM   1583 C CA  . PRO A 1 205 ? 6.288   -27.478 -13.718 1.000 16.556 0 205 PRO A CA  1 ? 
ATOM   1584 C C   . PRO A 1 205 ? 5.981   -28.890 -14.198 1.000 21.315 0 205 PRO A C   1 ? 
ATOM   1585 O O   . PRO A 1 205 ? 6.814   -29.453 -14.925 1.000 22.858 0 205 PRO A O   1 ? 
ATOM   1586 C CB  . PRO A 1 205 ? 7.099   -27.522 -12.449 1.000 17.558 0 205 PRO A CB  1 ? 
ATOM   1587 C CG  . PRO A 1 205 ? 6.119   -27.260 -11.356 1.000 18.454 0 205 PRO A CG  1 ? 
ATOM   1588 C CD  . PRO A 1 205 ? 5.090   -26.298 -11.943 1.000 16.983 0 205 PRO A CD  1 ? 
ATOM   1589 N N   . THR A 1 206 ? 4.817   -29.416 -13.795 1.000 20.112 0 206 THR A N   1 ? 
ATOM   1590 C CA  . THR A 1 206 ? 4.382   -30.757 -14.182 1.000 30.190 0 206 THR A CA  1 ? 
ATOM   1591 C C   . THR A 1 206 ? 3.103   -30.658 -14.997 1.000 39.970 0 206 THR A C   1 ? 
ATOM   1592 O O   . THR A 1 206 ? 3.123   -29.877 -15.982 1.000 48.670 0 206 THR A O   1 ? 
ATOM   1593 C CB  . THR A 1 206 ? 4.189   -31.603 -12.925 1.000 34.979 0 206 THR A CB  1 ? 
ATOM   1594 O OG1 . THR A 1 206 ? 3.166   -30.951 -12.176 1.000 37.399 0 206 THR A OG1 1 ? 
ATOM   1595 C CG2 . THR A 1 206 ? 5.444   -31.694 -12.073 1.000 39.283 0 206 THR A CG2 1 ? 
HETATM 1596 O O1  . TLA B 2 .   ? 10.598  -12.538 -26.613 1.000 24.159 0 301 TLA A O1  1 ? 
HETATM 1597 O O11 . TLA B 2 .   ? 10.880  -12.276 -24.430 1.000 24.574 0 301 TLA A O11 1 ? 
HETATM 1598 C C1  . TLA B 2 .   ? 10.499  -12.912 -25.432 1.000 24.132 0 301 TLA A C1  1 ? 
HETATM 1599 C C2  . TLA B 2 .   ? 9.809   -14.264 -25.213 1.000 18.965 0 301 TLA A C2  1 ? 
HETATM 1600 O O2  . TLA B 2 .   ? 9.453   -14.487 -23.859 1.000 19.123 0 301 TLA A O2  1 ? 
HETATM 1601 C C3  . TLA B 2 .   ? 10.739  -15.380 -25.704 1.000 16.556 0 301 TLA A C3  1 ? 
HETATM 1602 O O3  . TLA B 2 .   ? 11.953  -15.371 -24.975 1.000 19.459 0 301 TLA A O3  1 ? 
HETATM 1603 C C4  . TLA B 2 .   ? 10.039  -16.734 -25.565 1.000 15.489 0 301 TLA A C4  1 ? 
HETATM 1604 O O4  . TLA B 2 .   ? 10.473  -17.466 -24.683 1.000 16.050 0 301 TLA A O4  1 ? 
HETATM 1605 O O41 . TLA B 2 .   ? 9.088   -16.954 -26.332 1.000 16.678 0 301 TLA A O41 1 ? 
HETATM 1606 O O   . HOH C 3 .   ? -11.290 -27.705 6.013   1.000 45.670 0 401 HOH A O   1 ? 
HETATM 1607 O O   . HOH C 3 .   ? -8.049  -16.646 -12.469 1.000 30.114 0 402 HOH A O   1 ? 
HETATM 1608 O O   . HOH C 3 .   ? 19.996  -27.584 -0.309  1.000 44.313 0 403 HOH A O   1 ? 
HETATM 1609 O O   . HOH C 3 .   ? 7.427   -32.628 -1.515  1.000 53.802 0 404 HOH A O   1 ? 
HETATM 1610 O O   . HOH C 3 .   ? -10.156 -6.206  7.857   1.000 19.929 0 405 HOH A O   1 ? 
HETATM 1611 O O   . HOH C 3 .   ? -2.351  -1.521  -4.041  1.000 50.062 0 406 HOH A O   1 ? 
HETATM 1612 O O   . HOH C 3 .   ? 24.540  -8.046  0.832   1.000 39.510 0 407 HOH A O   1 ? 
HETATM 1613 O O   . HOH C 3 .   ? -8.683  -29.925 -10.570 1.000 48.196 0 408 HOH A O   1 ? 
HETATM 1614 O O   . HOH C 3 .   ? -2.904  -24.750 -13.145 1.000 31.986 0 409 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? 2.443   -27.956 -17.468 1.000 38.123 0 410 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? -7.831  -15.844 17.078  1.000 18.786 0 411 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? 8.051   -27.446 7.493   1.000 29.902 0 412 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? 4.353   -26.319 12.957  1.000 38.478 0 413 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? 9.908   -29.540 -3.075  1.000 30.377 0 414 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? -1.805  -9.849  11.994  1.000 34.748 0 415 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? 12.453  -28.630 -7.328  1.000 35.235 0 416 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? -8.851  -18.963 -15.276 1.000 48.199 0 417 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? 22.161  -26.418 -7.507  1.000 53.107 0 418 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? 17.560  -4.563  -4.134  1.000 45.949 0 419 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? 23.343  -15.591 6.285   1.000 37.068 0 420 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? -10.923 -31.611 7.357   1.000 43.841 0 421 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? 7.082   -16.864 8.400   1.000 39.480 0 422 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? 25.276  -21.294 -7.096  1.000 33.635 0 423 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? -4.338  -4.882  -5.770  1.000 42.070 0 424 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? 7.337   -15.557 -27.955 1.000 17.633 0 425 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? 8.205   -31.177 -16.380 1.000 47.802 0 426 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? 12.452  -7.179  -18.410 1.000 41.166 0 427 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? -8.436  -31.679 13.360  1.000 45.094 0 428 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? -1.772  -20.940 4.297   1.000 21.497 0 429 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? 20.778  -6.519  1.880   1.000 43.190 0 430 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? -2.974  -23.611 -24.596 1.000 39.448 0 431 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? 3.422   -22.881 15.705  1.000 37.222 0 432 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? -11.854 -25.399 10.177  1.000 22.124 0 433 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? 17.130  -7.506  -17.306 1.000 49.312 0 434 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? -1.061  -8.071  -21.278 1.000 34.024 0 435 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? 5.138   -19.892 -26.672 1.000 19.265 0 436 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? 12.297  -23.997 -11.939 1.000 16.328 0 437 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? 10.238  -23.633 0.597   1.000 20.374 0 438 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? -4.744  -16.376 -17.061 1.000 22.480 0 439 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? 21.768  -14.408 -5.986  1.000 22.062 0 440 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? 20.444  -4.487  -3.121  1.000 36.279 0 441 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 5.852   -29.285 -1.621  1.000 21.060 0 442 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? 4.832   -15.556 2.675   1.000 25.879 0 443 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? 13.333  -1.859  -11.482 1.000 41.564 0 444 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? -6.654  -0.463  -12.806 1.000 34.694 0 445 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? -4.970  -10.654 5.615   1.000 40.010 0 446 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? 10.702  -20.027 -23.739 1.000 14.384 0 447 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? -1.463  -14.794 17.015  1.000 28.179 0 448 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? 4.218   -2.960  -21.817 1.000 60.344 0 449 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? 11.203  -9.593  -24.418 1.000 42.432 0 450 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? -0.721  -8.723  -0.590  1.000 35.726 0 451 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? 0.190   -26.557 8.862   1.000 18.431 0 452 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? 22.913  -11.907 -6.119  1.000 23.218 0 453 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? -15.576 -18.437 3.054   1.000 30.881 0 454 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 1.542   -35.325 2.475   1.000 45.589 0 455 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? 1.932   -17.384 -8.178  1.000 14.175 0 456 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? 14.669  -16.200 -21.191 1.000 37.027 0 457 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? -3.349  -27.135 16.128  1.000 21.074 0 458 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? 16.915  -20.579 -21.428 1.000 23.586 0 459 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? 12.094  -5.615  0.488   1.000 42.535 0 460 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? -0.054  -12.351 9.019   1.000 40.698 0 461 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? 11.736  -26.017 -15.331 1.000 35.099 0 462 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 10.703  -1.197  -13.649 1.000 54.617 0 463 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? 0.903   -11.796 -2.489  1.000 23.851 0 464 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? 1.470   -17.586 -0.558  1.000 15.140 0 465 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? -2.613  -32.948 -6.590  1.000 35.169 0 466 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? 8.345   -19.832 10.314  1.000 30.334 0 467 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? 29.132  -13.126 -4.799  1.000 50.683 0 468 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? 29.179  -16.913 -3.183  1.000 39.846 0 469 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? -11.793 -7.224  5.883   1.000 22.612 0 470 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? 2.149   -2.158  -8.126  1.000 24.533 0 471 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? -9.374  -14.744 -6.992  1.000 32.359 0 472 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? 13.732  -2.299  -6.618  1.000 63.458 0 473 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? 24.589  -14.290 -9.847  1.000 35.419 0 474 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? 3.741   -12.273 -24.178 1.000 29.380 0 475 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? 7.117   -5.350  -19.005 1.000 34.402 0 476 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? 21.711  -22.004 6.565   1.000 44.840 0 477 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? -3.441  -21.172 9.854   1.000 15.593 0 478 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? -7.851  -11.214 -1.795  1.000 41.725 0 479 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? 7.430   -24.631 5.882   1.000 31.499 0 480 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? -1.828  -6.211  -11.499 1.000 20.164 0 481 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? -6.247  -31.817 9.353   1.000 46.055 0 482 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? 18.014  -23.213 5.120   1.000 46.488 0 483 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? -0.452  -17.209 8.518   1.000 42.714 0 484 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? 18.934  -18.302 -14.146 1.000 29.856 0 485 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? -7.184  -12.483 -19.542 1.000 31.875 0 486 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? 17.377  -25.550 -12.506 1.000 41.781 0 487 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? -5.091  -16.513 18.726  1.000 23.171 0 488 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? 8.578   -13.005 -28.510 1.000 29.172 0 489 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? 4.751   -30.392 -5.215  1.000 31.180 0 490 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? -6.802  -30.315 7.178   1.000 23.408 0 491 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? -8.604  -13.192 -2.004  1.000 34.883 0 492 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? -4.335  -26.302 -8.604  1.000 24.715 0 493 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? 2.310   -28.293 -12.633 1.000 27.420 0 494 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? 10.462  -12.470 0.215   1.000 22.688 0 495 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? -0.755  -31.621 7.153   1.000 31.211 0 496 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -1.719  -27.264 -9.497  1.000 33.580 0 497 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? 7.012   -12.117 3.644   1.000 44.603 0 498 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? -4.346  -23.293 15.966  1.000 18.714 0 499 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? -12.606 -28.499 -3.674  1.000 32.482 0 500 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? 24.244  -11.586 -8.358  1.000 30.711 0 501 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? -1.942  -20.247 12.176  1.000 17.985 0 502 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? -10.070 -30.114 1.261   1.000 32.345 0 503 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? -0.719  -18.653 -23.809 1.000 23.153 0 504 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? 3.397   -0.909  -18.494 1.000 48.349 0 505 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? -11.192 -21.416 -6.867  1.000 40.395 0 506 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? -7.222  -3.330  -10.527 1.000 33.213 0 507 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? 2.968   -32.803 4.838   1.000 36.741 0 508 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? 3.636   -4.054  -1.109  1.000 30.976 0 509 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? -15.536 -15.329 -15.047 1.000 57.552 0 510 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? -1.788  -14.351 5.022   1.000 25.740 0 511 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? -14.598 -13.605 -11.589 1.000 33.889 0 512 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? -5.068  -9.826  -21.554 1.000 41.026 0 513 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? -6.849  -5.636  -6.662  1.000 45.307 0 514 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? 1.006   -7.883  14.741  1.000 50.909 0 515 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? 3.757   -7.846  -21.238 1.000 24.521 0 516 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? 2.961   -10.654 -3.973  1.000 23.154 0 517 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? 16.789  -5.373  -8.395  1.000 35.360 0 518 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? -0.197  -18.225 10.565  1.000 30.336 0 519 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? -12.919 -17.821 0.254   1.000 29.612 0 520 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? 9.478   -9.020  1.703   1.000 42.050 0 521 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? 13.678  -16.590 1.437   1.000 27.074 0 522 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? -3.458  -18.865 7.898   1.000 28.948 0 523 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? -1.582  -18.296 6.124   1.000 26.718 0 524 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? 26.812  -11.215 1.360   1.000 25.115 0 525 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? -4.240  -2.835  -25.262 1.000 63.758 0 526 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? -1.462  -25.819 -17.300 1.000 28.042 0 527 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? -4.809  -18.115 -21.436 1.000 29.347 0 528 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? -2.387  -20.532 7.407   1.000 32.572 0 529 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? 12.770  -13.521 1.686   1.000 32.255 0 530 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? -4.870  -32.109 5.749   1.000 31.345 0 531 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? -9.785  -10.296 14.562  1.000 25.277 0 532 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? 9.664   0.488   -8.877  1.000 31.618 0 533 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? -4.164  -23.914 -10.501 1.000 30.230 0 534 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? 2.391   -0.852  -15.383 1.000 30.965 0 535 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? 2.226   -25.554 2.239   1.000 15.807 0 536 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? -4.293  -21.120 5.572   1.000 18.512 0 537 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? 11.030  -9.195  -21.692 1.000 35.956 0 538 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? 19.433  -25.520 2.963   1.000 37.861 0 539 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? 0.731   -33.894 -2.665  1.000 39.675 0 540 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? -14.703 -25.365 4.090   1.000 32.656 0 541 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? 26.966  -13.123 -0.832  1.000 36.739 0 542 HOH A O   1 ? 
HETATM 1748 O O   . HOH C 3 .   ? 13.570  -11.896 -21.328 1.000 30.882 0 543 HOH A O   1 ? 
HETATM 1749 O O   . HOH C 3 .   ? 7.767   -30.721 5.492   1.000 44.521 0 544 HOH A O   1 ? 
HETATM 1750 O O   . HOH C 3 .   ? -1.319  1.540   -8.415  1.000 41.213 0 545 HOH A O   1 ? 
HETATM 1751 O O   . HOH C 3 .   ? 16.605  -4.972  -0.814  1.000 37.566 0 546 HOH A O   1 ? 
HETATM 1752 O O   . HOH C 3 .   ? -5.584  -35.149 -1.834  1.000 51.622 0 547 HOH A O   1 ? 
HETATM 1753 O O   . HOH C 3 .   ? 7.722   -31.155 -3.815  1.000 43.734 0 548 HOH A O   1 ? 
HETATM 1754 O O   . HOH C 3 .   ? -14.141 -25.676 6.636   1.000 45.820 0 549 HOH A O   1 ? 
HETATM 1755 O O   . HOH C 3 .   ? -14.413 -28.729 1.250   1.000 38.974 0 550 HOH A O   1 ? 
HETATM 1756 O O   . HOH C 3 .   ? 25.347  -3.604  -7.418  1.000 42.993 0 551 HOH A O   1 ? 
HETATM 1757 O O   . HOH C 3 .   ? 25.719  -18.505 -14.354 1.000 42.834 0 552 HOH A O   1 ? 
HETATM 1758 O O   . HOH C 3 .   ? -9.127  -27.676 5.683   1.000 31.256 0 553 HOH A O   1 ? 
HETATM 1759 O O   . HOH C 3 .   ? -12.103 -16.406 -15.634 1.000 46.674 0 554 HOH A O   1 ? 
HETATM 1760 O O   . HOH C 3 .   ? -11.202 -14.166 -2.850  1.000 35.906 0 555 HOH A O   1 ? 
HETATM 1761 O O   . HOH C 3 .   ? 8.066   -14.000 3.976   1.000 55.654 0 556 HOH A O   1 ? 
HETATM 1762 O O   . HOH C 3 .   ? -5.638  -21.692 -22.205 1.000 49.984 0 557 HOH A O   1 ? 
HETATM 1763 O O   . HOH C 3 .   ? 14.461  -25.325 -13.379 1.000 35.359 0 558 HOH A O   1 ? 
HETATM 1764 O O   . HOH C 3 .   ? -6.461  -18.667 -16.282 1.000 31.295 0 559 HOH A O   1 ? 
HETATM 1765 O O   . HOH C 3 .   ? 3.854   -29.735 -19.368 1.000 45.552 0 560 HOH A O   1 ? 
HETATM 1766 O O   . HOH C 3 .   ? -3.230  -15.394 20.313  1.000 42.389 0 561 HOH A O   1 ? 
HETATM 1767 O O   . HOH C 3 .   ? 6.875   -11.692 -26.163 1.000 49.260 0 562 HOH A O   1 ? 
HETATM 1768 O O   . HOH C 3 .   ? 0.785   -29.756 12.362  1.000 50.726 0 563 HOH A O   1 ? 
HETATM 1769 O O   . HOH C 3 .   ? 5.483   -5.398  -21.262 1.000 38.120 0 564 HOH A O   1 ? 
HETATM 1770 O O   . HOH C 3 .   ? 7.740   -9.933  -25.021 1.000 53.176 0 565 HOH A O   1 ? 
HETATM 1771 O O   . HOH C 3 .   ? -6.111  -15.793 -19.624 1.000 43.754 0 566 HOH A O   1 ? 
HETATM 1772 O O   . HOH C 3 .   ? -0.333  -13.753 6.815   1.000 54.902 0 567 HOH A O   1 ? 
HETATM 1773 O O   . HOH C 3 .   ? 4.613   -9.322  -23.477 1.000 52.459 0 568 HOH A O   1 ? 
HETATM 1774 O O   . HOH C 3 .   ? 5.601   -22.435 16.562  1.000 48.250 0 569 HOH A O   1 ? 
HETATM 1775 O O   . HOH C 3 .   ? 3.838   -13.116 2.667   1.000 46.926 0 570 HOH A O   1 ? 
HETATM 1776 O O   . HOH C 3 .   ? -5.632  -23.657 -24.364 1.000 58.761 0 571 HOH A O   1 ? 
HETATM 1777 O O   . HOH C 3 .   ? -3.574  -36.026 -2.423  1.000 50.892 0 572 HOH A O   1 ? 
HETATM 1778 O O   . HOH C 3 .   ? -7.157  -1.096  -9.237  1.000 52.543 0 573 HOH A O   1 ? 
HETATM 1779 O O   . HOH C 3 .   ? 1.033   0.200   -6.985  1.000 38.188 0 574 HOH A O   1 ? 
HETATM 1780 O O   . HOH C 3 .   ? 9.701   -5.723  -20.007 1.000 50.795 0 575 HOH A O   1 ? 
HETATM 1781 O O   . HOH C 3 .   ? 18.169  -3.164  -2.069  1.000 63.074 0 576 HOH A O   1 ? 
HETATM 1782 O O   . HOH C 3 .   ? 3.437   -10.642 1.687   1.000 47.877 0 577 HOH A O   1 ? 
HETATM 1783 O O   . HOH C 3 .   ? 2.681   -11.070 -0.595  1.000 37.797 0 578 HOH A O   1 ? 
HETATM 1784 O O   . HOH C 3 .   ? -17.700 -25.990 4.168   1.000 54.277 0 579 HOH A O   1 ? 
HETATM 1785 O O   . HOH C 3 .   ? -14.193 -15.315 1.397   1.000 65.590 0 580 HOH A O   1 ? 
HETATM 1786 O O   . HOH C 3 .   ? -6.719  -23.967 -11.333 1.000 44.813 0 581 HOH A O   1 ? 
HETATM 1787 O O   . HOH C 3 .   ? 1.362   -28.497 10.337  1.000 35.581 0 582 HOH A O   1 ? 
HETATM 1788 O O   . HOH C 3 .   ? 1.044   -31.068 8.741   1.000 47.162 0 583 HOH A O   1 ? 
HETATM 1789 O O   . HOH C 3 .   ? 3.416   -5.657  2.181   1.000 60.583 0 584 HOH A O   1 ? 
# 
