data_9EQT
# 
_entry.id   9EQT 
# 
_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   9EQT         pdb_00009eqt 10.2210/pdb9eqt/pdb 
WWPDB D_1292137434 ?            ?                   
# 
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                        9EQT 
_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    143 ? ? ? ? 
# 
_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   404 404 HOH HOH A . 
C 3 HOH 5   405 405 HOH HOH A . 
C 3 HOH 6   406 410 HOH HOH A . 
C 3 HOH 7   407 407 HOH HOH A . 
C 3 HOH 8   408 406 HOH HOH A . 
C 3 HOH 9   409 408 HOH HOH A . 
C 3 HOH 10  410 409 HOH HOH A . 
C 3 HOH 11  411 415 HOH HOH A . 
C 3 HOH 12  412 412 HOH HOH A . 
C 3 HOH 13  413 411 HOH HOH A . 
C 3 HOH 14  414 413 HOH HOH A . 
C 3 HOH 15  415 416 HOH HOH A . 
C 3 HOH 16  416 414 HOH HOH A . 
C 3 HOH 17  417 425 HOH HOH A . 
C 3 HOH 18  418 417 HOH HOH A . 
C 3 HOH 19  419 418 HOH HOH A . 
C 3 HOH 20  420 420 HOH HOH A . 
C 3 HOH 21  421 421 HOH HOH A . 
C 3 HOH 22  422 419 HOH HOH A . 
C 3 HOH 23  423 423 HOH HOH A . 
C 3 HOH 24  424 422 HOH HOH A . 
C 3 HOH 25  425 424 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  428 428 HOH HOH A . 
C 3 HOH 29  429 429 HOH HOH A . 
C 3 HOH 30  430 430 HOH HOH A . 
C 3 HOH 31  431 432 HOH HOH A . 
C 3 HOH 32  432 431 HOH HOH A . 
C 3 HOH 33  433 436 HOH HOH A . 
C 3 HOH 34  434 433 HOH HOH A . 
C 3 HOH 35  435 435 HOH HOH A . 
C 3 HOH 36  436 437 HOH HOH A . 
C 3 HOH 37  437 439 HOH HOH A . 
C 3 HOH 38  438 434 HOH HOH A . 
C 3 HOH 39  439 440 HOH HOH A . 
C 3 HOH 40  440 438 HOH HOH A . 
C 3 HOH 41  441 441 HOH HOH A . 
C 3 HOH 42  442 442 HOH HOH A . 
C 3 HOH 43  443 443 HOH HOH A . 
C 3 HOH 44  444 444 HOH HOH A . 
C 3 HOH 45  445 445 HOH HOH A . 
C 3 HOH 46  446 446 HOH HOH A . 
C 3 HOH 47  447 448 HOH HOH A . 
C 3 HOH 48  448 449 HOH HOH A . 
C 3 HOH 49  449 452 HOH HOH A . 
C 3 HOH 50  450 447 HOH HOH A . 
C 3 HOH 51  451 450 HOH HOH A . 
C 3 HOH 52  452 451 HOH HOH A . 
C 3 HOH 53  453 518 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  456 455 HOH HOH A . 
C 3 HOH 57  457 456 HOH HOH A . 
C 3 HOH 58  458 459 HOH HOH A . 
C 3 HOH 59  459 457 HOH HOH A . 
C 3 HOH 60  460 458 HOH HOH A . 
C 3 HOH 61  461 461 HOH HOH A . 
C 3 HOH 62  462 460 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  465 465 HOH HOH A . 
C 3 HOH 66  466 466 HOH HOH A . 
C 3 HOH 67  467 467 HOH HOH A . 
C 3 HOH 68  468 474 HOH HOH A . 
C 3 HOH 69  469 472 HOH HOH A . 
C 3 HOH 70  470 469 HOH HOH A . 
C 3 HOH 71  471 475 HOH HOH A . 
C 3 HOH 72  472 470 HOH HOH A . 
C 3 HOH 73  473 471 HOH HOH A . 
C 3 HOH 74  474 473 HOH HOH A . 
C 3 HOH 75  475 477 HOH HOH A . 
C 3 HOH 76  476 464 HOH HOH A . 
C 3 HOH 77  477 478 HOH HOH A . 
C 3 HOH 78  478 480 HOH HOH A . 
C 3 HOH 79  479 476 HOH HOH A . 
C 3 HOH 80  480 479 HOH HOH A . 
C 3 HOH 81  481 482 HOH HOH A . 
C 3 HOH 82  482 481 HOH HOH A . 
C 3 HOH 83  483 483 HOH HOH A . 
C 3 HOH 84  484 484 HOH HOH A . 
C 3 HOH 85  485 485 HOH HOH A . 
C 3 HOH 86  486 487 HOH HOH A . 
C 3 HOH 87  487 486 HOH HOH A . 
C 3 HOH 88  488 489 HOH HOH A . 
C 3 HOH 89  489 488 HOH HOH A . 
C 3 HOH 90  490 491 HOH HOH A . 
C 3 HOH 91  491 468 HOH HOH A . 
C 3 HOH 92  492 490 HOH HOH A . 
C 3 HOH 93  493 493 HOH HOH A . 
C 3 HOH 94  494 492 HOH HOH A . 
C 3 HOH 95  495 494 HOH HOH A . 
C 3 HOH 96  496 495 HOH HOH A . 
C 3 HOH 97  497 497 HOH HOH A . 
C 3 HOH 98  498 498 HOH HOH A . 
C 3 HOH 99  499 496 HOH HOH A . 
C 3 HOH 100 500 499 HOH HOH A . 
C 3 HOH 101 501 508 HOH HOH A . 
C 3 HOH 102 502 500 HOH HOH A . 
C 3 HOH 103 503 501 HOH HOH A . 
C 3 HOH 104 504 503 HOH HOH A . 
C 3 HOH 105 505 504 HOH HOH A . 
C 3 HOH 106 506 502 HOH HOH A . 
C 3 HOH 107 507 505 HOH HOH A . 
C 3 HOH 108 508 506 HOH HOH A . 
C 3 HOH 109 509 507 HOH HOH A . 
C 3 HOH 110 510 510 HOH HOH A . 
C 3 HOH 111 511 509 HOH HOH A . 
C 3 HOH 112 512 513 HOH HOH A . 
C 3 HOH 113 513 512 HOH HOH A . 
C 3 HOH 114 514 511 HOH HOH A . 
C 3 HOH 115 515 516 HOH HOH A . 
C 3 HOH 116 516 517 HOH HOH A . 
C 3 HOH 117 517 514 HOH HOH A . 
C 3 HOH 118 518 515 HOH HOH A . 
C 3 HOH 119 519 519 HOH HOH A . 
C 3 HOH 120 520 520 HOH HOH A . 
C 3 HOH 121 521 521 HOH HOH A . 
C 3 HOH 122 522 522 HOH HOH A . 
C 3 HOH 123 523 523 HOH HOH A . 
C 3 HOH 124 524 524 HOH HOH A . 
C 3 HOH 125 525 526 HOH HOH A . 
C 3 HOH 126 526 527 HOH HOH A . 
C 3 HOH 127 527 529 HOH HOH A . 
C 3 HOH 128 528 528 HOH HOH A . 
C 3 HOH 129 529 530 HOH HOH A . 
C 3 HOH 130 530 531 HOH HOH A . 
C 3 HOH 131 531 532 HOH HOH A . 
C 3 HOH 132 532 533 HOH HOH A . 
C 3 HOH 133 533 534 HOH HOH A . 
C 3 HOH 134 534 535 HOH HOH A . 
C 3 HOH 135 535 536 HOH HOH A . 
C 3 HOH 136 536 537 HOH HOH A . 
C 3 HOH 137 537 525 HOH HOH A . 
C 3 HOH 138 538 538 HOH HOH A . 
C 3 HOH 139 539 539 HOH HOH A . 
C 3 HOH 140 540 540 HOH HOH A . 
C 3 HOH 141 541 541 HOH HOH A . 
C 3 HOH 142 542 542 HOH HOH A . 
C 3 HOH 143 543 543 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                     9EQT 
_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                         9EQT 
_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                   9EQT 
_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                                       9EQT 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.49 
_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                                     44873 
_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                                116.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.65 
_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                                   0.948 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.173 
_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                                    1.49 
_reflns_shell.d_res_low                                     1.52 
_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                             2222 
_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                                  0.300 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  1.356 
_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]                            0.315 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.315 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.629 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               21.982 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.966 
_refine.correlation_coeff_Fo_to_Fc_free          0.930 
_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                                 9EQT 
_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                            1.49 
_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                     44772 
_refine.ls_number_reflns_R_free                  2258 
_refine.ls_number_reflns_R_work                  42514 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.967 
_refine.ls_percent_reflns_R_free                 5.043 
_refine.ls_R_factor_all                          0.179 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2068 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1776 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK 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                       0.059 
_refine.pdbx_overall_ESU_R_Free                  0.063 
_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                             1.410 
_refine.overall_SU_ML                            0.049 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.49 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             143 
_refine_hist.number_atoms_total               1698 
_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' ? 0.010  0.012  1658 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1483 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.753  1.810  2269 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.613  1.756  3444 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.986  5.000  225  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.344 5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.872 10.000 255  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.195 10.000 70   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.092  0.200  243  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  2029 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  405  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.215  0.200  268  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.202  0.200  1341 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  821  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  897  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.227  0.200  87   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  5    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.161  0.200  48   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.112  0.200  6    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.093  2.067  843  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.045  2.065  843  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.072  3.707  1057 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.083  3.709  1058 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.429  2.441  815  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.431  2.442  814  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.196  4.293  1202 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.196  4.293  1202 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.538  23.615 1808 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.435  22.581 1795 ? 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' 1.49  1.518  . . 157 3081 100.0000 . . . . 0.373 . . . . . . . . . . . 0.368 
'X-RAY DIFFRACTION' 1.518 1.560  . . 163 3004 100.0000 . . . . 0.329 . . . . . . . . . . . 0.348 
'X-RAY DIFFRACTION' 1.560 1.605  . . 147 2922 100.0000 . . . . 0.286 . . . . . . . . . . . 0.276 
'X-RAY DIFFRACTION' 1.605 1.654  . . 149 2857 100.0000 . . . . 0.254 . . . . . . . . . . . 0.240 
'X-RAY DIFFRACTION' 1.654 1.708  . . 167 2731 100.0000 . . . . 0.220 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 1.708 1.768  . . 160 2669 100.0000 . . . . 0.197 . . . . . . . . . . . 0.236 
'X-RAY DIFFRACTION' 1.768 1.835  . . 136 2580 100.0000 . . . . 0.172 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 1.835 1.909  . . 119 2480 100.0000 . . . . 0.172 . . . . . . . . . . . 0.216 
'X-RAY DIFFRACTION' 1.909 1.994  . . 128 2405 100.0000 . . . . 0.161 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 1.994 2.091  . . 114 2317 100.0000 . . . . 0.153 . . . . . . . . . . . 0.171 
'X-RAY DIFFRACTION' 2.091 2.203  . . 118 2172 100.0000 . . . . 0.162 . . . . . . . . . . . 0.192 
'X-RAY DIFFRACTION' 2.203 2.336  . . 103 2109 100.0000 . . . . 0.159 . . . . . . . . . . . 0.179 
'X-RAY DIFFRACTION' 2.336 2.497  . . 91  1970 100.0000 . . . . 0.154 . . . . . . . . . . . 0.156 
'X-RAY DIFFRACTION' 2.497 2.695  . . 110 1820 100.0000 . . . . 0.165 . . . . . . . . . . . 0.222 
'X-RAY DIFFRACTION' 2.695 2.951  . . 90  1714 100.0000 . . . . 0.170 . . . . . . . . . . . 0.196 
'X-RAY DIFFRACTION' 2.951 3.295  . . 75  1554 100.0000 . . . . 0.164 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 3.295 3.798  . . 86  1372 100.0000 . . . . 0.146 . . . . . . . . . . . 0.171 
'X-RAY DIFFRACTION' 3.798 4.636  . . 53  1211 100.0000 . . . . 0.138 . . . . . . . . . . . 0.157 
'X-RAY DIFFRACTION' 4.636 6.488  . . 54  961  100.0000 . . . . 0.170 . . . . . . . . . . . 0.225 
'X-RAY DIFFRACTION' 6.488 32.000 . . 38  585  98.7322  . . . . 0.315 . . . . . . . . . . . 0.318 
# 
_struct.entry_id                     9EQT 
_struct.title                        '24fs pulse duration 10uJ 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        9EQT 
_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              9EQT 
_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 ? ? ? ? ? ? ? 1.997 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.029 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.020 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 2.018 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.024 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.971 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.924 ? ? 
# 
_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       7.28 
# 
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 ILE A 50  ? N ILE A 50  O ALA A 88  ? O ALA A 88  
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 ILE A 50  ? N ILE A 50  O ALA A 88  ? O ALA A 88  
AA3 3 4 N GLN A 94  ? N GLN A 94  O LYS A 97  ? O LYS A 97  
AA3 4 5 N ASP A 98  ? N ASP A 98  O CYS A 193 ? O CYS A 193 
# 
_pdbx_entry_details.entry_id                   9EQT 
_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 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              171 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              171 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH2 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              171 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                116.99 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            -3.31 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 25 ? ? 58.66   -140.10 
2 1 CYS A 71 ? ? -115.55 70.02   
# 
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  ? ? 0.161 'SIDE CHAIN' 
2 1 ARG A 119 ? ? 0.105 '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        12305 
_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                 10 
_pdbx_serial_crystallography_measurement.pulse_duration               24 
_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                    9EQT 
_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   ? 21.811  -10.992 -9.816  1.000 30.925 0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.403  -12.411 -9.967  1.000 29.714 0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.447  -12.439 -11.140 1.000 24.466 0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.747  -11.476 -11.379 1.000 24.034 0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.702  -12.931 -8.742  1.000 32.704 0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.459  -13.547 -11.857 1.000 22.098 0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.544  -13.701 -12.969 0.340 20.535 0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.580  -13.752 -12.991 0.660 21.575 0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.484  -14.714 -12.545 1.000 19.852 0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.802  -15.721 -11.954 1.000 22.040 0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.313  -14.123 -14.223 0.340 22.083 0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.406  -14.351 -14.138 0.660 25.629 0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.635  -15.496 -14.113 0.340 19.638 0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.258  -13.297 -14.589 0.660 28.510 0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.666  -13.445 -14.352 0.340 21.588 0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.562  -14.763 -15.329 0.660 26.599 0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.229  -14.382 -12.849 1.000 19.372 0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.121  -15.306 -12.692 1.000 17.824 0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.492  -15.499 -14.065 1.000 18.121 0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.133  -14.512 -14.698 1.000 21.839 0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.060  -14.710 -11.791 1.000 19.215 0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.398  -14.670 -10.321 1.000 20.305 0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.405  -13.834 -9.846  1.000 22.017 0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.710  -15.459 -9.429  1.000 22.380 0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.706  -13.809 -8.501  1.000 24.478 0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.018  -15.420 -8.088  1.000 21.799 0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 16.003  -14.593 -7.638  1.000 21.880 0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.352  -16.735 -14.468 1.000 17.219 0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.551  -17.023 -15.646 1.000 17.174 0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.174  -17.502 -15.176 1.000 15.614 0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.106  -18.442 -14.364 1.000 17.764 0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.206  -18.144 -16.434 1.000 19.044 0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.560  -18.259 -17.812 1.000 20.988 0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.077  -19.356 -18.735 1.000 24.841 0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.214  -20.491 -18.371 1.000 23.727 0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.359  -18.991 -19.879 1.000 26.800 0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.159  -16.823 -15.680 1.000 15.547 0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.793  -17.121 -15.274 1.000 16.041 0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.125  -17.768 -16.485 1.000 16.389 0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.029  -17.127 -17.534 1.000 17.560 0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.055  -15.864 -14.832 1.000 17.994 0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.837  -15.162 -13.662 1.000 21.359 0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.618   -16.247 -14.453 1.000 17.392 0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.381  -13.741 -13.370 1.000 25.279 0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.653   -18.998 -16.306 1.000 16.623 0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.169   -19.794 -17.419 1.000 16.164 0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.707   -20.141 -17.174 1.000 14.518 0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.375   -20.650 -16.096 1.000 16.338 0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 9.988   -21.069 -17.542 1.000 16.754 0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.419   -21.980 -18.643 1.000 17.544 0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.448  -20.730 -17.799 1.000 18.886 0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.837   -19.900 -18.155 1.000 14.141 0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.454   -20.327 -18.037 1.000 14.019 0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.239   -21.645 -18.783 1.000 14.854 0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.165   -21.629 -20.004 1.000 16.429 0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.512   -19.285 -18.598 1.000 14.971 0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.074   -19.720 -18.429 1.000 15.582 0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.808   -20.558 -17.570 1.000 15.086 0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.167   -19.114 -19.180 1.000 17.024 0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.198   -22.752 -18.067 1.000 14.686 0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.859   -24.051 -18.634 1.000 14.716 0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.358   -24.342 -18.582 1.000 15.547 0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.917   -25.393 -19.056 1.000 16.183 0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.737   -25.119 -17.992 1.000 16.210 0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.703   -26.453 -18.709 1.000 17.127 0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.650   -27.443 -18.091 1.000 18.456 0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.040   -27.060 -18.332 1.000 18.260 0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.056   -27.358 -17.559 1.000 22.441 0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.893   -28.099 -16.453 1.000 23.099 0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.225  -26.821 -17.801 1.000 21.682 0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.557   -23.426 -18.029 1.000 15.257 0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.117   -23.641 -18.009 1.000 15.580 0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.590   -23.592 -19.441 1.000 15.647 0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.159   -22.906 -20.296 1.000 17.428 0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.414   -22.582 -17.161 1.000 15.212 0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.090   -22.426 -15.487 1.000 16.578 0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.614  -24.176 -19.600 1.000 17.555 0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.313  -24.121 -20.871 0.770 20.042 0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.311  -24.131 -20.876 0.230 19.003 0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.022  -22.794 -21.100 1.000 22.075 0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.497  -22.534 -22.201 1.000 26.998 0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.296  -25.272 -20.971 0.770 21.834 0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.257  -25.318 -21.027 0.230 18.734 0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.304  -25.097 -19.996 0.770 22.786 0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -2.734  -25.798 -19.777 0.230 17.459 0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.089  -21.941 -20.078 1.000 17.954 0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.725  -20.659 -20.152 1.000 18.289 0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.701  -19.555 -19.911 1.000 17.653 0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.641  -19.805 -19.329 1.000 19.357 0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.816  -20.636 -19.073 1.000 22.063 0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.430  -21.100 -17.691 1.000 20.797 0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.860  -20.217 -16.772 1.000 22.299 0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.626  -22.403 -17.278 1.000 20.795 0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.489  -20.642 -15.509 1.000 20.415 0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.270  -22.815 -16.009 1.000 21.447 0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.752  -21.918 -15.097 1.000 20.977 0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.369  -22.463 -13.881 1.000 22.560 0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.071  -18.362 -20.336 1.000 17.319 0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.263  -17.166 -20.180 1.000 16.486 0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.234  -16.811 -18.706 1.000 18.076 0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.250  -16.847 -18.015 1.000 18.485 0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.794  -15.999 -21.014 1.000 19.965 0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.815  -16.463 -22.372 1.000 23.044 0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -0.967  -14.734 -20.888 1.000 18.164 0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.059  -16.414 -18.227 1.000 15.627 0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.063   -15.800 -16.923 1.000 15.794 0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.767   -14.482 -17.088 1.000 17.524 0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.446   -14.250 -18.082 1.000 18.726 0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.787   -16.649 -15.881 1.000 18.098 0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.082   -17.978 -15.663 1.000 19.108 0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.256   -16.845 -16.216 1.000 21.210 0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.580   -13.606 -16.102 1.000 15.064 0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.302   -12.365 -16.066 1.000 15.674 0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.206   -12.413 -14.858 1.000 15.137 0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.749   -12.298 -13.707 1.000 15.256 0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.343   -11.171 -16.033 1.000 16.994 0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.405  -10.941 -17.315 1.000 16.751 0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.116  -9.971  -18.227 1.000 20.657 0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.507  -11.695 -17.850 1.000 17.297 0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -0.996  -10.047 -19.278 1.000 20.234 0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.863  -11.082 -19.078 1.000 18.542 0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.277  -12.757 -17.390 1.000 18.739 0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.947  -11.517 -19.844 1.000 19.552 0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.298  -13.229 -18.198 1.000 19.531 0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.630  -12.601 -19.384 1.000 19.057 0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.490   -12.653 -15.105 1.000 14.926 0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.476   -12.759 -14.050 1.000 15.314 0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.676   -11.393 -13.418 1.000 14.737 0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.461   -10.369 -14.058 1.000 15.509 0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.792   -13.283 -14.598 1.000 16.410 0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.016   -11.399 -12.143 1.000 16.345 0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.258   -10.208 -11.343 1.000 16.880 0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.500   -10.450 -10.509 1.000 17.388 0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.727   -11.570 -10.037 1.000 16.644 0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.082   -9.927  -10.429 1.000 17.372 0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.283   -9.387  -10.259 1.000 17.166 0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.459   -9.443  -9.414  1.000 17.433 0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.604   -8.111  -8.682  1.000 18.607 0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.662   -7.072  -9.324  1.000 19.871 0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.701   -9.691  -10.239 1.000 18.364 0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.659   -8.167  -7.356  1.000 16.193 0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.668   -6.963  -6.536  1.000 18.345 0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.438   -7.257  -5.247  1.000 19.392 0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.455   -8.372  -4.792  1.000 19.556 0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.222   -6.536  -6.256  1.000 21.333 0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.092   -5.446  -5.336  1.000 24.989 0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.912   -6.201  -4.554  1.000 21.646 0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.354  -6.341  -3.172  1.000 24.757 0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.451   -5.539  -2.233  1.000 28.012 0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.854   -5.282  -1.097  1.000 29.747 0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.839  -5.991  -3.002  1.000 25.453 0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.231  -4.560  -3.354  1.000 28.584 0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.722  -4.310  -3.071  1.000 32.481 0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 14.119  -2.877  -3.233  1.000 40.233 0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.705  -2.137  -2.031  1.000 42.368 0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.253   -5.165  -2.684  1.000 23.312 0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.222   -4.641  -1.795  1.000 27.763 0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.078   -3.123  -1.888  1.000 26.131 0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 5.952   -2.613  -1.849  1.000 28.799 0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.222   -2.454  -2.077  1.000 29.298 0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.256   -1.004  -2.188  1.000 33.609 0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.810   -0.579  -3.543  1.000 33.708 0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 8.901   0.609   -3.814  1.000 33.545 0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 9.044   -0.427  -1.014  1.000 37.507 0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.506  -0.842  -0.923  1.000 43.490 0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 10.954  -1.725  -1.697  1.000 37.538 0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.212  -0.255  -0.095  1.000 53.406 0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.094   -1.540  -4.438  1.000 27.255 0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.690   -1.274  -5.726  1.000 24.580 0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.537   -2.515  -6.608  1.000 22.477 0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.556   -3.633  -6.098  1.000 23.656 0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.156  -0.964  -5.588  1.000 27.496 0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.484   -2.291  -7.914  1.000 22.777 0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.605   -3.357  -8.891  1.000 22.146 0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 10.989  -3.970  -8.790  1.000 28.094 0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.969  -3.274  -8.529  1.000 27.380 0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.352   -2.847  -10.275 1.000 23.405 0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.070  -5.260  -9.130  1.000 20.441 0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.309  -5.881  -9.536  1.000 20.616 0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.337  -5.970  -11.058 1.000 21.626 0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.422  -6.493  -11.690 1.000 22.147 0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.398  -7.268  -8.920  1.000 21.424 0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.469  -7.298  -7.393  1.000 24.064 0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.522  -8.763  -6.957  1.000 24.687 0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.643  -6.454  -6.826  1.000 26.023 0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.382  -5.402  -11.665 1.000 23.429 0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.474  -5.333  -13.108 1.000 22.512 0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.236  -4.565  -13.580 1.000 20.728 0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.852  -3.593  -12.958 1.000 23.508 0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.739  -6.709  -13.701 1.000 21.745 0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.279  -6.794  -15.130 1.000 26.204 0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.507  -6.456  -16.063 1.000 28.450 0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.417  -7.292  -15.312 1.000 25.645 0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.626  -4.987  -14.679 1.000 21.610 0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.447  -4.310  -15.196 1.000 23.273 0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.222   -4.503  -14.294 1.000 24.987 0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.231   -3.808  -14.464 1.000 27.558 0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.141  -4.775  -16.601 1.000 26.614 0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.237   -5.483  -13.383 1.000 21.467 0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.146   -5.638  -12.435 1.000 19.509 0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.024   -6.575  -12.885 1.000 19.456 0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.324   -7.121  -12.036 1.000 19.212 0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.816   -6.733  -14.180 1.000 18.229 0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.771   -7.615  -14.661 1.000 18.397 0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.816   -7.733  -16.169 1.000 19.764 0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.350   -6.869  -16.849 1.000 21.598 0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.300   -8.857  -16.667 1.000 17.767 0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.197   -9.082  -18.088 1.000 18.722 0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.202   -10.206 -18.330 1.000 18.301 0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.107   -11.122 -17.534 1.000 17.962 0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.564   -9.492  -18.642 1.000 23.069 0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.768   -8.960  -20.045 1.000 25.467 0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.868   -9.753  -20.725 1.000 24.610 0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.352   -11.039 -21.191 1.000 24.088 0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.057   -11.815 -21.990 1.000 22.914 0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.349   -11.547 -22.155 1.000 21.775 0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.478   -12.860 -22.595 1.000 22.666 0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.604   -10.181 -19.511 1.000 17.091 0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.788   -11.268 -19.989 1.000 16.519 0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.682   -12.417 -20.470 1.000 16.904 0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.717   -12.230 -21.117 1.000 18.633 0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.933   -10.785 -21.160 1.000 18.147 0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 1.024   -11.867 -21.720 1.000 18.943 0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.060   -11.360 -22.767 1.000 24.552 0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.391  -10.216 -22.700 1.000 29.016 0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.254  -12.206 -23.726 1.000 27.380 0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.328   -13.640 -20.056 1.000 14.718 0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.003   -14.847 -20.502 1.000 15.908 0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.925   -15.733 -21.092 1.000 16.130 0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.183   -16.387 -20.360 1.000 15.936 0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.746   -15.644 -19.423 1.000 17.473 0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.954   -14.963 -18.798 1.000 24.768 0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.433   -15.766 -17.594 1.000 25.659 0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 7.049   -14.839 -19.801 1.000 28.904 0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.951   -15.932 -22.412 1.000 15.656 0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.116   -16.932 -23.013 1.000 16.419 0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.696   -18.289 -22.658 1.000 14.757 0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.829   -18.414 -22.180 1.000 15.924 0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.049   -16.689 -24.513 1.000 18.151 0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.312   -15.413 -24.844 1.000 23.786 0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.395   -15.023 -24.129 1.000 27.234 0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.619   -14.820 -25.982 1.000 32.634 0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.932   -19.333 -22.947 1.000 15.931 0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.343   -20.701 -22.711 1.000 16.404 0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.652   -21.003 -23.435 1.000 16.931 0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.706   -20.936 -24.660 1.000 15.905 0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.257   -21.674 -23.140 1.000 17.463 0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.697   -23.001 -22.961 1.000 18.453 0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.668   -21.362 -22.651 1.000 15.981 0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.983   -21.711 -23.137 1.000 15.846 0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 6.996   -20.563 -23.078 1.000 15.823 0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.196   -20.825 -23.234 1.000 17.619 0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.569   -19.322 -22.872 1.000 15.813 0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.473   -18.181 -22.897 1.000 15.099 0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.334   -18.105 -21.641 1.000 15.686 0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.942   -18.521 -20.553 1.000 16.683 0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.739   -16.856 -23.094 1.000 15.401 0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.146   -16.726 -24.508 1.000 16.200 0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.588   -15.352 -24.802 1.000 20.002 0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.082   -14.683 -23.866 1.000 18.910 0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.659   -14.954 -25.992 1.000 23.118 0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.508   -17.522 -21.805 1.000 15.786 0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.479  -17.374 -20.747 1.000 17.087 0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.839  -15.892 -20.690 1.000 18.870 0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 10.991  -15.237 -21.728 1.000 19.967 0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.715  -18.166 -21.041 1.000 18.221 0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.465  -19.548 -21.186 1.000 19.185 0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.020  -15.378 -19.480 1.000 17.601 0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.358  -13.988 -19.241 1.000 17.331 0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.555  -13.993 -18.308 1.000 18.379 0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.495  -14.578 -17.241 1.000 19.211 0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.180  -13.228 -18.633 1.000 20.163 0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.389  -11.798 -18.254 1.000 21.667 0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.104  -10.823 -18.868 1.000 25.024 0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.797   -11.200 -17.084 1.000 20.750 0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.924  -9.638  -18.186 1.000 25.821 0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.160  -9.831  -17.095 1.000 24.830 0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 9.016   -11.669 -16.048 1.000 21.793 0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.738   -8.960  -16.097 1.000 25.274 0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.613   -10.816 -15.049 1.000 26.797 0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.959   -9.472  -15.087 1.000 25.866 0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.638  -13.336 -18.725 1.000 19.177 0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.831  -13.304 -17.890 1.000 20.667 0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.949  -11.924 -17.242 1.000 20.168 0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.863  -10.905 -17.922 1.000 22.912 0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.047  -13.630 -18.744 1.000 27.348 0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 15.994  -14.985 -19.210 1.000 28.971 0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.310  -13.477 -17.928 1.000 31.494 0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.063  -11.900 -15.920 1.000 20.304 0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.204  -10.647 -15.190 1.000 20.865 0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.516  -10.658 -14.428 1.000 20.829 0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.069  -11.682 -14.083 1.000 22.441 0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 14.012  -10.367 -14.263 1.000 21.684 0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.909  -11.380 -13.139 1.000 19.905 0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.723  -10.258 -15.083 1.000 24.447 0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.955  -10.965 -12.013 1.000 22.560 0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 16.981  -9.435  -14.133 1.000 23.066 0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.162  -9.265  -13.301 1.000 21.791 0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.713  -8.595  -12.015 1.000 20.949 0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.979  -7.604  -12.041 1.000 24.250 0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.174  -8.348  -13.997 1.000 28.098 0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.830  -9.103  -15.134 1.000 38.935 0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.656  -10.000 -14.907 1.000 50.794 0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.380  -8.862  -16.358 1.000 46.203 0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.115  -9.204  -10.922 1.000 21.341 0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.811  -8.758  -9.570  1.000 21.566 0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.117  -8.311  -8.920  1.000 23.599 0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.084  -9.060  -8.928  1.000 24.186 0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.171  -9.911  -8.774  1.000 22.847 0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.892  -9.494  -7.342  1.000 24.569 0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.859  -10.393 -9.409  1.000 24.904 0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.091  -7.110  -8.333  1.000 24.660 0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.286  -6.519  -7.732  1.000 25.011 0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.788  -7.410  -6.611  1.000 25.033 0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.010  -7.858  -5.776  1.000 22.548 0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 19.946  -5.174  -7.103  1.000 28.611 0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 19.926  -4.027  -8.100  1.000 40.040 0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.318  -3.451  -8.268  0.230 42.244 0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 21.774  -3.565  -9.410  0.690 48.742 0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 21.938  -2.928  -7.303  0.620 47.270 0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.096  -7.692  -6.519  1.000 24.686 0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.632  -8.391  -5.353  1.000 23.269 0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.221  -7.639  -4.081  1.000 24.119 0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.039  -6.419  -4.087  1.000 25.205 0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.166  -8.388  -5.535  1.000 26.242 0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.377  -7.921  -6.947  1.000 27.659 0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.130  -7.235  -7.460  1.000 25.355 0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.037  -8.396  -2.997  1.000 24.771 0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.685  -7.815  -1.714  1.000 25.107 0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.181  -7.612  -1.533  1.000 26.331 0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.741  -7.167  -0.472  1.000 28.329 0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.385  -7.902  -2.570  1.000 23.551 0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.945  -7.743  -2.491  1.000 23.241 0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.385  -8.630  -1.376  1.000 22.745 0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.602  -9.848  -1.320  1.000 23.024 0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.282  -8.090  -3.822  1.000 24.418 0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.649  -7.142  -4.803  1.000 25.696 0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.766  -8.010  -3.735  1.000 25.860 0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.621  -8.001  -0.480  1.000 21.955 0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.057  -8.670  0.671   1.000 24.585 0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.546  -8.630  0.523   1.000 23.074 0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 13.992  -7.589  0.222   1.000 24.642 0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.419  -7.936  1.957   1.000 31.028 0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 16.310  -8.818  3.172   1.000 46.102 0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 15.221  -9.285  3.518   1.000 58.785 0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 17.426  -9.042  3.847   1.000 58.874 0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.874  -9.762  0.667   1.000 22.368 0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.420  -9.715  0.675   1.000 23.286 0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.798  -9.629  -0.720  1.000 21.902 0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.716  -9.066  -0.908  1.000 22.261 0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.472  -10.160 -1.742  1.000 18.259 0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.918  -10.208 -3.075  1.000 16.495 0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.919  -11.354 -3.216  1.000 15.826 0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.025  -12.384 -2.556  1.000 18.441 0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.944   -11.144 -4.105  1.000 16.492 0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.970   -12.189 -4.386  1.000 16.598 0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.639   -12.184 -5.871  1.000 16.268 0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.655   -11.150 -6.528  1.000 17.234 0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.681   -11.936 -3.611  1.000 16.529 0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.872   -11.850 -2.105  1.000 19.279 0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.597   -11.924 -1.295  1.000 21.882 0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.735   -11.458 0.149   1.000 23.097 0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.621   -12.279 0.937   1.000 24.239 0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.374   -13.375 -6.383  1.000 14.908 0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.898   -13.546 -7.757  1.000 15.315 0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.618   -14.341 -7.645  1.000 15.346 0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.531   -15.289 -6.864  1.000 16.206 0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.944   -14.307 -8.600  1.000 16.974 0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.101  -13.379 -8.889  1.000 17.874 0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.357   -14.853 -9.897  1.000 17.000 0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.362  -14.087 -9.371  1.000 19.858 0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.651   -13.976 -8.471  1.000 14.153 0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.368   -14.695 -8.495  1.000 14.635 0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.770   -14.596 -9.894  1.000 14.949 0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.208   -13.762 -10.713 1.000 15.608 0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.432   -14.177 -7.388  1.000 15.151 0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.890   -12.793 -7.567  1.000 14.816 0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.654   -12.427 -8.015  1.000 14.938 0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.572   -11.561 -7.239  1.000 16.463 0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.503   -11.069 -7.987  1.000 16.698 0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.656   -10.525 -7.496  1.000 17.022 0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.851   -11.250 -6.748  1.000 16.865 0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 2.964   -9.192  -7.343  1.000 18.119 0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.155   -9.909  -6.610  1.000 17.834 0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.195   -8.912  -6.821  1.000 18.612 0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.706   -15.383 -10.100 1.000 15.032 0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.922   -15.311 -11.320 1.000 13.911 0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.586   -14.681 -11.005 1.000 14.160 0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.076   -14.815 -9.893  1.000 16.174 0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.717   -16.681 -11.909 1.000 15.988 0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.079   -13.955 -11.988 1.000 14.390 0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.272  -13.432 -11.970 1.000 15.802 0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.042  -14.055 -13.108 1.000 16.643 0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.500  -14.313 -14.179 1.000 16.081 0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.204  -11.918 -12.183 1.000 15.620 0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.394  -11.245 -11.099 1.000 15.667 0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.134  -9.782  -11.424 1.000 17.239 0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.823   -9.652  -12.534 1.000 16.736 0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.193   -8.500  -13.097 1.000 17.171 0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.514   -7.388  -12.817 1.000 18.653 0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.216   -8.475  -13.939 1.000 20.277 0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.325  -14.320 -12.866 1.000 15.731 0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.204  -14.964 -13.819 1.000 16.767 0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.366  -14.059 -14.209 1.000 17.966 0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.754  -13.158 -13.466 1.000 18.208 0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.754  -16.306 -13.335 1.000 18.566 0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.532  -16.106 -12.150 1.000 20.534 0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.656  -17.312 -13.068 1.000 20.278 0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.831  -14.287 -15.448 1.000 17.429 0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.008  -13.625 -15.992 1.000 20.013 0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.894  -12.115 -15.870 1.000 20.667 0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.723  -11.471 -15.218 1.000 21.742 0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.265  -14.214 -15.376 1.000 22.447 0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.500  -15.671 -15.740 1.000 26.286 0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.530  -15.949 -16.940 0.520 29.217 0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.592  -16.482 -14.826 0.640 28.877 0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.888  -11.544 -16.526 1.000 18.090 0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.636  -10.120 -16.464 1.000 19.505 0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.101  -9.452  -17.764 1.000 21.611 0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.024  -10.026 -18.838 1.000 23.494 0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.157  -9.743  -16.362 1.000 18.660 0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.283  -10.490 -14.956 1.000 18.885 0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.530  -8.199  -17.619 1.000 21.581 0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.823  -7.289  -18.717 0.590 22.790 0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.773  -7.317  -18.745 0.410 24.843 0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.042  -6.014  -18.466 1.000 24.355 0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.226  -5.401  -17.433 1.000 28.625 0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.333  -7.024  -18.726 0.590 24.477 0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.245  -7.003  -19.017 0.410 29.183 0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.080  -8.264  -19.159 0.590 24.379 0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.347  -5.730  -19.849 0.410 31.115 0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.217  -8.582  -20.508 0.590 29.166 0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.027  -5.736  -21.203 0.410 33.644 0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.519  -9.189  -18.226 0.590 23.579 0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.659  -4.509  -19.259 0.410 35.358 0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -9.853  -9.748  -20.906 0.590 27.405 0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.077  -4.579  -21.960 0.410 32.883 0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -10.153 -10.354 -18.614 0.590 27.496 0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.705  -3.342  -20.004 0.410 34.732 0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.329 -10.630 -19.960 0.590 29.062 0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -8.420  -3.381  -21.356 0.410 35.686 0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.938 -11.818 -20.253 0.590 34.396 0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -8.486  -2.238  -22.090 0.410 38.460 0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.249  -5.582  -19.436 1.000 24.691 0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.527  -4.349  -19.325 1.000 25.848 0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.785  -3.527  -20.584 1.000 30.337 0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -5.013  -4.098  -21.650 1.000 36.179 0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -3.031  -4.617  -19.176 1.000 25.243 0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.660  -5.272  -17.854 1.000 25.447 0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.737  -4.552  -16.679 1.000 25.958 0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.259  -6.603  -17.800 1.000 22.391 0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.467  -5.147  -15.466 1.000 23.227 0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.931  -7.181  -16.596 1.000 22.348 0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.032  -6.459  -15.431 1.000 21.448 0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.769  -2.209  -20.406 1.000 35.915 0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.862  -1.287  -21.520 1.000 40.174 0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.456  -0.936  -21.996 1.000 45.733 0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.454  -1.532  -21.588 1.000 38.897 0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.699  -0.084  -21.132 1.000 37.206 0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.056  0.883   -20.162 1.000 38.700 0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.821  0.816   -19.952 1.000 37.290 0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.809  1.683   -19.593 1.000 51.913 0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.391  0.068   -22.878 1.000 55.544 0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.145  0.452   -23.519 1.000 57.486 0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.195  1.057   -22.481 1.000 48.698 0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? 0.016   0.888   -22.595 1.000 55.015 0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.424  1.362   -24.712 1.000 65.695 0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -1.587  1.100   -25.957 0.650 70.528 0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -0.995  -0.002  -26.047 1.000 75.627 0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.530  2.003   -26.827 0.550 66.710 0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.739  1.735   -21.456 1.000 44.836 0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.927  2.358   -20.416 1.000 44.804 0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.380  1.338   -19.396 1.000 41.395 0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.358   1.716   -18.496 1.000 41.011 0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.706  3.455   -19.723 1.000 50.948 0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.783  2.947   -18.933 1.000 56.075 0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.765  0.056   -19.492 1.000 40.054 0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.317  -0.948  -18.527 1.000 38.842 0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.164  -0.952  -17.252 1.000 32.432 0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.671  -1.273  -16.168 1.000 30.968 0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.416  -0.513  -17.395 1.000 31.443 0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.344  -0.400  -16.277 0.590 30.463 0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.343  -0.395  -16.282 0.410 29.488 0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.515  -1.341  -16.521 1.000 28.746 0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -4.979  -1.497  -17.647 1.000 28.685 0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.826  1.023   -16.080 0.590 33.147 0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.790  1.039   -16.125 0.410 30.243 0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.788  1.853   -15.583 0.590 34.768 0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.651  1.184   -15.007 0.410 29.381 0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -4.994  -1.994  -15.450 1.000 26.118 0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -6.020  -2.978  -15.630 1.000 23.952 0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.358  -3.710  -14.330 1.000 20.737 0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.391  -3.111  -13.262 1.000 22.846 0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.639  -4.996  -14.466 1.000 20.651 0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.092  -5.827  -13.373 1.000 19.006 0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.708  -7.272  -13.688 1.000 21.509 0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.761  -7.700  -14.839 1.000 21.790 0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.609  -5.679  -13.146 1.000 22.268 0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -9.147  -6.422  -11.939 1.000 26.101 0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.430  -6.083  -14.367 1.000 25.848 0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -8.841  -5.808  -10.615 1.000 32.364 0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.387  -8.025  -12.621 1.000 19.442 0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.208  -9.472  -12.694 1.000 17.743 0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.075  -10.127 -11.633 1.000 17.013 0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.334  -9.536  -10.603 1.000 17.774 0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.773  -9.852  -12.381 1.000 17.826 0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.556  -9.111  -13.493 0.920 17.571 0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.502  -11.361 -11.872 1.000 18.400 0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.345  -12.089 -10.925 1.000 18.408 0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.572  -12.704 -9.770  1.000 19.172 0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.125  -12.896 -8.694  1.000 20.277 0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.175  -13.140 -11.641 1.000 19.835 0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.260 -12.573 -12.460 1.000 23.986 0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.287 -13.606 -12.838 1.000 26.242 0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.293 -12.945 -13.713 1.000 30.118 0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.262 -13.968 -14.087 1.000 36.729 0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.266  -12.995 -9.923  1.000 16.617 0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.416  -13.369 -8.817  1.000 16.984 0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.146  -12.531 -8.922  1.000 17.754 0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.661  -12.262 -10.024 1.000 18.252 0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.089  -14.869 -8.788  1.000 17.704 0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.287  -15.287 -9.893  1.000 16.559 0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.351  -15.713 -8.735  1.000 18.212 0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.624  -12.149 -7.765  1.000 17.152 0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.331  -11.518 -7.661  1.000 16.855 0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.249  -10.096 -8.178  1.000 16.947 0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.143  -9.623  -8.324  1.000 17.277 0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.373  -9.392  -8.367  1.000 17.438 0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.351  -8.020  -8.841  1.000 17.129 0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.494  -7.152  -7.925  1.000 18.251 0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.622  -7.224  -6.703  1.000 18.814 0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.774  -7.492  -8.889  1.000 19.155 0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.891  -6.164  -9.588  1.000 23.331 0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.697  -6.160  -10.793 1.000 27.107 0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.077  -5.163  -8.859  1.000 30.437 0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.645  -6.295  -8.497  1.000 18.674 0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.761  -5.433  -7.712  1.000 21.402 0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.154  -3.966  -7.955  1.000 22.051 0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.517  -3.267  -8.740  1.000 24.920 0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.714   -5.643  -8.055  1.000 20.171 0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.059   -5.307  -9.802  1.000 21.505 0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.319  -3.568  -7.441  1.000 23.056 0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.782  -2.198  -7.625  1.000 23.732 0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.123  -1.857  -9.071  1.000 24.976 0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -3.014  -0.704  -9.472  1.000 24.861 0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.542  -2.839  -9.867  1.000 22.902 0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -4.025  -2.583  -11.216 1.000 24.813 0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.935  -2.360  -12.258 1.000 24.730 0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.255  -1.907  -13.347 1.000 28.213 0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.670  -2.617  -11.941 1.000 22.631 0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.565  -2.318  -12.844 1.000 23.249 0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? 0.007   -3.588  -13.475 1.000 22.364 0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.058   -4.635  -12.832 1.000 22.687 0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.561   -1.626  -12.086 1.000 26.506 0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.213   -0.299  -11.400 1.000 32.039 0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.430   0.267   -10.703 1.000 31.452 0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.362  0.660   -12.406 1.000 34.387 0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.402   -3.486  -14.734 1.000 21.303 0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.121   -4.552  -15.431 1.000 22.713 0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.477   -4.717  -14.759 1.000 22.985 0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.912   -5.806  -14.394 1.000 23.034 0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.249   -4.267  -16.928 1.000 25.783 0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.170   -5.198  -17.733 1.000 28.029 0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.697   -6.626  -17.666 1.000 27.929 0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.232   -4.729  -19.191 1.000 30.832 0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.163   -3.598  -14.548 1.000 23.464 0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.494   -3.605  -13.982 1.000 24.595 0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.376   -3.363  -12.496 1.000 27.090 0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.283   -2.225  -12.016 1.000 27.285 0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.392   -2.544  -14.668 1.000 25.307 0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.647   -2.781  -16.151 1.000 32.663 0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.357   -1.613  -16.900 1.000 36.877 0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 5.616   -1.424  -18.154 0.410 44.075 0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 4.432   -0.812  -18.250 0.480 47.390 0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 3.535   -1.221  -19.124 0.630 48.273 0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 4.068   0.096   -17.371 0.800 52.978 0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.398   -4.438  -11.707 1.000 23.445 0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.137   -4.307  -10.286 1.000 21.716 0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.232   -3.601  -9.489  1.000 29.765 0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.411   -3.917  -9.637  1.000 30.244 0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.028   -5.686  -9.638  1.000 23.436 0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.575   -6.569  -10.235 1.000 20.981 0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.822   -2.668  -8.610  1.000 25.400 0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.716   -2.025  -7.657  1.000 29.305 0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.470   -2.564  -6.260  1.000 29.961 0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.339   -2.478  -5.386  1.000 35.752 0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.505   -0.501  -7.634  1.000 34.544 0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 5.829   0.250   -8.927  0.470 37.607 0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 7.261   0.120   -9.443  0.430 42.415 0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 8.298   0.822   -8.591  0.730 42.651 0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 9.700   0.555   -8.956  0.960 34.193 0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.285   -3.145  -6.031  1.000 25.292 0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.888   -3.593  -4.716  1.000 25.284 0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.545   -5.079  -4.850  1.000 22.742 0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.417   -5.569  -5.974  1.000 21.934 0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.623   -2.902  -4.181  1.000 29.392 0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 2.707   -1.378  -4.167  1.000 43.146 0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 3.787   -0.859  -3.253  0.390 42.469 0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? 4.052   0.583   -3.333  0.470 49.725 0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? 5.180   1.103   -3.816  0.250 52.367 0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? 6.048   0.330   -4.434  0.440 51.674 0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? 5.441   2.391   -3.703  1.000 60.498 0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.342   -5.747  -3.714  1.000 21.268 0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.953   -7.146  -3.710  1.000 19.685 0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.493   -7.295  -4.112  1.000 21.860 0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.710   -6.358  -4.134  1.000 24.296 0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.151   -7.789  -2.348  1.000 20.508 0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.594   -7.879  -1.919  1.000 20.849 0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.595   -8.246  -2.814  1.000 21.772 0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.943   -7.574  -0.630  1.000 24.714 0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.902   -8.358  -2.402  1.000 21.560 0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.266   -7.673  -0.230  1.000 23.287 0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.226   -8.033  -1.120  1.000 23.626 0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.181   -8.498  -4.529  1.000 20.517 0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.094  -8.801  -5.155  1.000 17.609 0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.144  -9.276  -4.153  1.000 15.729 0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.858  -9.758  -3.072  1.000 19.114 0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.399  -9.163  -4.611  1.000 18.016 0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.533  -9.539  -3.791  1.000 17.336 0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.630  -11.056 -3.783  1.000 17.866 0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.584  -11.689 -4.831  1.000 17.065 0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.813  -8.944  -4.402  1.000 22.431 0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.130  -9.229  -3.694  1.000 30.172 0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.220  -8.296  -4.259  1.000 32.369 0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.438  -8.256  -3.448  0.700 37.593 0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.450  -9.115  -3.532  1.000 33.953 0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.426  -10.090 -4.423  0.720 34.494 0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.425 -9.066  -2.656  0.430 33.882 0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.824  -11.710 -2.627  1.000 16.277 0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.019  -13.143 -2.572  1.000 15.337 0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.251  -13.539 -3.337  1.000 16.387 0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.215  -12.770 -3.486  1.000 18.219 0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.206  -13.490 -1.114  1.000 18.318 0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.667  -12.308 -0.410  1.000 22.213 0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.848  -11.100 -1.291  1.000 19.822 0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.322  -14.768 -3.817  1.000 15.950 0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.354  -15.815 -3.527  1.000 15.949 0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.196  -15.805 -4.511  1.000 16.411 0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.413  -15.694 -5.713  1.000 17.163 0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.207  -17.080 -3.651  1.000 17.810 0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.227  -16.751 -4.695  1.000 19.835 0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.532  -15.276 -4.487  1.000 19.444 0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.989  -16.042 -4.003  1.000 15.424 0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.774  -16.019 -4.812  1.000 14.617 0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.210   -17.017 -4.240  1.000 14.825 0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.717   -16.835 -3.145  1.000 15.218 0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.078  -14.655 -4.801  1.000 16.259 0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.145   -14.303 -3.433  1.000 17.758 0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.844  -13.582 -5.565  1.000 17.361 0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.564   -18.048 -4.993  1.000 13.394 0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.698   -18.898 -4.653  1.000 13.772 0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.947   -17.999 -4.748  1.000 14.810 0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.045   -17.292 -5.768  1.000 16.134 0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.839   -20.070 -5.620  1.000 15.039 0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.547   -20.583 -5.945  1.000 15.464 0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.727   -21.154 -5.071  1.000 16.400 0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.834   -18.000 -3.736  1.000 13.635 0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.965   -17.088 -3.744  1.000 14.515 0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.303   -17.795 -3.818  1.000 15.057 0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.587   -18.655 -2.986  1.000 16.162 0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.915   -16.230 -2.485  1.000 14.591 0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.736   -15.257 -2.390  1.000 16.243 0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.664   -14.709 -0.962  1.000 18.508 0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.815   -14.189 -3.432  1.000 19.483 0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.176   -17.288 -4.725  1.000 13.619 0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.594   -17.593 -4.675  1.000 14.125 0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.269   -16.434 -3.960  1.000 14.919 0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.059   -15.284 -4.345  1.000 18.410 0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.152   -17.726 -6.049  1.000 15.135 0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.947   -16.739 -2.854  1.000 15.044 0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.479  -15.708 -1.986  1.000 14.534 0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 11.985  -15.876 -1.868  1.000 15.727 0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.502  -16.990 -1.789  1.000 16.620 0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.886   -15.812 -0.575  1.000 17.049 0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.361   -15.803 -0.576  1.000 18.370 0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.779   -15.880 0.830   1.000 17.955 0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.143   -16.769 1.619   1.000 18.340 0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.924   -15.009 1.050   1.000 21.334 0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.681  -14.733 -1.841  1.000 16.923 0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.128  -14.822 -1.776  1.000 17.178 0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.739  -13.591 -1.123  1.000 16.490 0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.267  -12.459 -1.247  1.000 19.556 0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.688  -15.016 -3.195  1.000 17.914 0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.148  -14.102 -4.257  1.000 16.886 0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 14.696  -12.863 -4.511  1.000 21.121 0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 12.968  -14.431 -4.909  1.000 19.492 0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 14.131  -12.012 -5.443  1.000 21.197 0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 12.412  -13.554 -5.831  1.000 22.725 0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 13.007  -12.379 -6.118  1.000 22.585 0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.863  -13.869 -0.440  1.000 18.984 0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.755  -12.824 0.033   1.000 19.606 0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.165  -13.183 -0.418  1.000 17.386 0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.579  -14.312 -0.177  1.000 22.344 0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.642  -12.688 1.543   1.000 22.030 0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.361  -12.192 1.875   1.000 23.480 0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.847  -12.236 -1.071  1.000 19.565 0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.100  -12.567 -1.750  1.000 20.456 0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.271  -11.898 -1.010  1.000 19.489 0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.136  -10.801 -0.488  1.000 23.394 0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.034  -12.112 -3.193  1.000 19.894 0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.834  -12.610 -4.014  1.000 21.631 0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.895  -11.981 -5.383  1.000 23.217 0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.757  -14.083 -4.018  1.000 21.318 0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.393  -12.609 -1.003  1.000 21.440 0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.666  -12.075 -0.477  1.000 21.542 0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.498  -11.578 0.956   1.000 22.946 0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.833  -10.437 1.274   1.000 25.551 0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.226  -10.988 -1.383  1.000 22.685 0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.386  -11.439 -2.817  1.000 25.531 0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 25.331  -12.167 -3.215  1.000 29.865 0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 23.439  -10.983 -3.602  1.000 22.273 0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.959  -12.448 1.796   1.000 24.718 0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.740  -12.152 3.210   1.000 25.862 0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.870  -12.841 3.960   1.000 22.788 0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.879  -14.049 4.171   1.000 22.170 0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.373  -12.634 3.686   1.000 24.479 0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.259  -11.995 2.864   1.000 28.898 0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.149  -10.504 3.057   1.000 30.786 0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.050  -10.007 4.191   1.000 42.290 0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.166  -9.759  1.957   1.000 29.975 0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.913  -12.056 4.264   1.000 26.842 0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.089  -12.632 4.915   1.000 26.051 0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.633  -13.848 4.173   1.000 25.806 0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.942  -14.878 4.766   1.000 28.259 0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.828  -12.937 6.397   1.000 27.523 0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.377  -11.711 7.161   1.000 32.668 0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.290  -10.772 7.652   1.000 38.163 0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 24.024  -11.477 7.371   1.000 40.302 0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.862  -9.662  8.371   1.000 43.590 0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.580  -10.362 8.066   1.000 45.589 0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.502  -9.460  8.573   1.000 51.120 0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 24.017  -8.389  9.261   1.000 48.036 0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.790  -13.724 2.845   1.000 25.676 0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.416  -14.753 2.044   1.000 27.679 0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.462  -15.820 1.497   1.000 28.279 0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.893  -16.723 0.785   1.000 27.605 0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.170  -15.755 1.863   1.000 25.129 0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.249  -16.837 1.515   1.000 26.109 0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 23.008  -16.234 0.858   1.000 20.056 0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.612  -15.100 1.132   1.000 22.310 0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.823  -17.633 2.752   1.000 31.346 0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 24.941  -18.415 3.460   1.000 38.239 0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.462  -19.519 2.561   1.000 44.824 0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.561  -20.332 3.174   1.000 54.103 0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 27.099  -21.217 2.131   1.000 57.460 0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.415  -17.003 -0.054  1.000 21.870 0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.066  -16.688 -0.529  1.000 20.582 0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.054  -17.639 0.116   1.000 18.736 0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.354  -18.771 0.468   1.000 21.016 0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.930  -16.947 -2.028  1.000 22.215 0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.732  -16.082 -2.991  1.000 24.322 0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.342  -15.067 -2.572  1.000 20.847 0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.664  -16.394 -4.207  1.000 21.789 0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.831  -17.115 0.361   1.000 19.911 0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.790  -17.913 0.982   1.000 20.684 0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.539  -17.890 0.091   1.000 19.234 0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.052  -16.809 -0.233  1.000 22.650 0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.429  -17.319 2.333   1.000 22.514 0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.553  -17.387 3.346   1.000 23.612 0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.830  -18.572 4.000   1.000 25.988 0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.426  -16.320 3.511   1.000 28.611 0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.892  -18.678 4.893   1.000 30.057 0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.506  -16.421 4.385   1.000 30.957 0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.726  -17.593 5.084   1.000 32.096 0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.773  -17.691 5.956   1.000 32.540 0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.032  -19.076 -0.204  1.000 18.809 0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.871  -19.180 -1.104  1.000 19.803 0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.830  -20.094 -0.470  1.000 19.031 0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.124  -20.985 0.314   1.000 19.740 0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.232  -19.685 -2.507  1.000 19.858 0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.651  -21.143 -2.497  1.000 22.575 0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.294  -18.777 -3.111  1.000 20.221 0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.760  -21.777 -3.874  1.000 25.444 0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.558  -19.806 -0.765  1.000 16.781 0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.471  -20.653 -0.333  1.000 16.469 0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.276  -20.419 -1.242  1.000 15.491 0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.219  -19.459 -2.003  1.000 16.344 0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.084  -20.369 1.115   1.000 17.723 0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.469  -19.008 1.347   1.000 18.907 0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.270   -18.843 1.065   1.000 19.212 0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.177  -18.099 1.727   1.000 21.918 0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.343   -21.365 -1.124  1.000 16.056 0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 7.998   -21.216 -1.642  1.000 15.243 0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.055   -21.105 -0.455  1.000 16.472 0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.247   -21.784 0.543   1.000 16.503 0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.587   -22.322 -2.622  1.000 16.772 0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.376   -22.213 -3.924  1.000 18.423 0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.089   -22.232 -2.942  1.000 20.873 0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.185   -23.405 -4.838  1.000 22.755 0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.085   -20.194 -0.593  1.000 14.376 0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.139   -19.935 0.487   1.000 14.906 0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.715   -20.046 -0.033  1.000 15.122 0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.407   -19.498 -1.069  1.000 15.450 0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.367   -18.605 1.078   1.000 15.770 0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.386   -18.289 2.070   1.000 17.083 0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.839   -20.675 0.774   1.000 14.128 0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.388   -20.670 0.631   1.000 14.168 0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.705   -19.832 1.721   1.000 14.334 0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.525  -19.913 1.928   1.000 15.499 0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.811   -22.089 0.711   1.000 15.286 0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.133   -22.974 -0.477  1.000 18.469 0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.434   -24.174 -0.349  1.000 22.141 0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.080   -22.405 -1.637  1.000 16.544 0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.475   -18.979 2.399   1.000 14.684 0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.891   -18.180 3.481   1.000 15.920 0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.128  -17.188 2.934   1.000 16.226 0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.020  -16.760 3.690   1.000 16.250 0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.038   -17.486 4.249   1.000 17.687 0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.833   -18.500 5.053   1.000 19.524 0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.593   -16.300 5.090   1.000 19.919 0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.159   -17.960 5.584   1.000 21.930 0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? 0.042   -16.733 1.677   1.000 15.037 0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.923  -15.868 0.999   1.000 15.701 0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.717  -16.672 -0.025  1.000 15.022 0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.219  -16.108 -1.001  1.000 16.501 0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.186  -14.701 0.338   1.000 18.085 0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.544   -13.841 1.339   1.000 23.086 0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.441  -12.947 2.070   1.000 32.574 0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.285   -11.920 2.903   1.000 38.807 0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.706  -11.468 3.887   1.000 43.232 0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.904  -17.971 0.225   1.000 14.262 0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.749  -18.787 -0.637  1.000 14.550 0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.982  -19.357 -1.837  1.000 15.656 0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.770  -19.236 -1.922  1.000 17.614 0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.747  -19.933 -2.745  1.000 14.524 0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.199  -20.634 -3.893  1.000 14.440 0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.027  -20.296 -5.107  1.000 16.319 0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.233  -20.328 -5.060  1.000 16.077 0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.186  -22.133 -3.568  1.000 15.543 0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.719  -23.008 -4.720  1.000 14.650 0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.564  -23.265 -5.763  1.000 15.937 0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.435  -23.538 -4.729  1.000 15.519 0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.157  -24.066 -6.802  1.000 17.371 0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.038  -24.366 -5.755  1.000 17.836 0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.908  -24.649 -6.764  1.000 17.385 0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.371  -19.970 -6.214  1.000 15.501 0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.075  -19.775 -7.471  1.000 14.424 0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.533  -20.675 -8.578  1.000 15.891 0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.321  -21.337 -9.276  1.000 17.816 0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.152  -18.323 -7.871  1.000 15.429 0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.818  -17.652 -8.125  1.000 15.093 0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.747  -18.105 -7.693  1.000 14.841 0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.905  -16.587 -8.882  1.000 15.524 0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.206  -20.738 -8.723  1.000 15.665 0 110 VAL A N   1 ? 
ATOM   845  C CA  A VAL A 1 110 ? -0.575  -21.468 -9.810  0.800 15.557 0 110 VAL A CA  1 ? 
ATOM   846  C CA  B VAL A 1 110 ? -0.580  -21.471 -9.810  0.200 15.545 0 110 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 110 ? 0.516   -22.344 -9.211  1.000 15.122 0 110 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 110 ? 1.284   -21.920 -8.310  1.000 16.291 0 110 VAL A O   1 ? 
ATOM   849  C CB  A VAL A 1 110 ? 0.010   -20.449 -10.823 0.800 17.807 0 110 VAL A CB  1 ? 
ATOM   850  C CB  B VAL A 1 110 ? -0.005  -20.545 -10.905 0.200 16.119 0 110 VAL A CB  1 ? 
ATOM   851  C CG1 A VAL A 1 110 ? 0.984   -21.045 -11.827 0.800 18.817 0 110 VAL A CG1 1 ? 
ATOM   852  C CG1 B VAL A 1 110 ? 1.288   -19.866 -10.476 0.200 15.811 0 110 VAL A CG1 1 ? 
ATOM   853  C CG2 A VAL A 1 110 ? -1.076  -19.611 -11.504 0.800 17.691 0 110 VAL A CG2 1 ? 
ATOM   854  C CG2 B VAL A 1 110 ? 0.242   -21.265 -12.219 0.200 16.955 0 110 VAL A CG2 1 ? 
ATOM   855  N N   . PRO A 1 111 ? 0.688   -23.590 -9.670  1.000 14.451 0 111 PRO A N   1 ? 
ATOM   856  C CA  . PRO A 1 111 ? 1.761   -24.453 -9.178  1.000 16.196 0 111 PRO A CA  1 ? 
ATOM   857  C C   . PRO A 1 111 ? 3.122   -23.913 -9.645  1.000 14.891 0 111 PRO A C   1 ? 
ATOM   858  O O   . PRO A 1 111 ? 3.207   -23.252 -10.680 1.000 14.680 0 111 PRO A O   1 ? 
ATOM   859  C CB  . PRO A 1 111 ? 1.453   -25.816 -9.791  1.000 16.983 0 111 PRO A CB  1 ? 
ATOM   860  C CG  . PRO A 1 111 ? 0.576   -25.500 -10.955 1.000 21.056 0 111 PRO A CG  1 ? 
ATOM   861  C CD  . PRO A 1 111 ? -0.147  -24.222 -10.710 1.000 17.854 0 111 PRO A CD  1 ? 
ATOM   862  N N   . MET A 1 112 ? 4.165   -24.181 -8.872  1.000 16.865 0 112 MET A N   1 ? 
ATOM   863  C CA  . MET A 1 112 ? 5.444   -23.518 -9.062  1.000 17.022 0 112 MET A CA  1 ? 
ATOM   864  C C   . MET A 1 112 ? 6.583   -24.419 -8.620  1.000 17.694 0 112 MET A C   1 ? 
ATOM   865  O O   . MET A 1 112 ? 6.507   -25.156 -7.642  1.000 16.955 0 112 MET A O   1 ? 
ATOM   866  C CB  . MET A 1 112 ? 5.449   -22.227 -8.210  1.000 21.038 0 112 MET A CB  1 ? 
ATOM   867  C CG  . MET A 1 112 ? 6.707   -21.446 -8.217  1.000 27.847 0 112 MET A CG  1 ? 
ATOM   868  S SD  . MET A 1 112 ? 6.486   -20.230 -6.891  1.000 24.705 0 112 MET A SD  1 ? 
ATOM   869  C CE  . MET A 1 112 ? 5.424   -19.095 -7.774  1.000 25.730 0 112 MET A CE  1 ? 
ATOM   870  N N   . ASP A 1 113 ? 7.672   -24.333 -9.384  1.000 17.641 0 113 ASP A N   1 ? 
ATOM   871  C CA  . ASP A 1 113 ? 8.983   -24.859 -9.052  1.000 17.543 0 113 ASP A CA  1 ? 
ATOM   872  C C   . ASP A 1 113 ? 9.939   -23.678 -8.949  1.000 16.222 0 113 ASP A C   1 ? 
ATOM   873  O O   . ASP A 1 113 ? 9.915   -22.797 -9.806  1.000 16.582 0 113 ASP A O   1 ? 
ATOM   874  C CB  . ASP A 1 113 ? 9.466   -25.872 -10.070 1.000 19.354 0 113 ASP A CB  1 ? 
ATOM   875  C CG  . ASP A 1 113 ? 10.819  -26.480 -9.717  1.000 21.920 0 113 ASP A CG  1 ? 
ATOM   876  O OD1 . ASP A 1 113 ? 10.854  -27.570 -9.114  1.000 22.009 0 113 ASP A OD1 1 ? 
ATOM   877  O OD2 . ASP A 1 113 ? 11.832  -25.806 -10.008 1.000 22.640 0 113 ASP A OD2 1 ? 
ATOM   878  N N   . PHE A 1 114 ? 10.793  -23.674 -7.925  1.000 16.528 0 114 PHE A N   1 ? 
ATOM   879  C CA  . PHE A 1 114 ? 11.768  -22.618 -7.734  1.000 15.972 0 114 PHE A CA  1 ? 
ATOM   880  C C   . PHE A 1 114 ? 13.115  -23.267 -7.480  1.000 18.350 0 114 PHE A C   1 ? 
ATOM   881  O O   . PHE A 1 114 ? 13.297  -23.874 -6.423  1.000 18.628 0 114 PHE A O   1 ? 
ATOM   882  C CB  . PHE A 1 114 ? 11.324  -21.755 -6.565  1.000 15.774 0 114 PHE A CB  1 ? 
ATOM   883  C CG  . PHE A 1 114 ? 12.135  -20.516 -6.270  1.000 16.007 0 114 PHE A CG  1 ? 
ATOM   884  C CD1 . PHE A 1 114 ? 13.130  -20.047 -7.132  1.000 17.870 0 114 PHE A CD1 1 ? 
ATOM   885  C CD2 . PHE A 1 114 ? 11.928  -19.808 -5.096  1.000 17.843 0 114 PHE A CD2 1 ? 
ATOM   886  C CE1 . PHE A 1 114 ? 13.838  -18.879 -6.838  1.000 19.876 0 114 PHE A CE1 1 ? 
ATOM   887  C CE2 . PHE A 1 114 ? 12.648  -18.659 -4.810  1.000 18.931 0 114 PHE A CE2 1 ? 
ATOM   888  C CZ  . PHE A 1 114 ? 13.565  -18.163 -5.681  1.000 19.909 0 114 PHE A CZ  1 ? 
ATOM   889  N N   . SER A 1 115 ? 14.001  -23.198 -8.468  1.000 17.415 0 115 SER A N   1 ? 
ATOM   890  C CA  . SER A 1 115 ? 15.202  -24.042 -8.452  1.000 19.203 0 115 SER A CA  1 ? 
ATOM   891  C C   . SER A 1 115 ? 16.392  -23.163 -8.813  1.000 19.726 0 115 SER A C   1 ? 
ATOM   892  O O   . SER A 1 115 ? 16.291  -22.248 -9.643  1.000 20.151 0 115 SER A O   1 ? 
ATOM   893  C CB  . SER A 1 115 ? 15.117  -25.213 -9.408  1.000 21.588 0 115 SER A CB  1 ? 
ATOM   894  O OG  . SER A 1 115 ? 14.235  -26.206 -8.930  1.000 23.430 0 115 SER A OG  1 ? 
ATOM   895  N N   . PRO A 1 116 ? 17.573  -23.416 -8.224  1.000 18.912 0 116 PRO A N   1 ? 
ATOM   896  C CA  . PRO A 1 116 ? 18.775  -22.771 -8.750  1.000 19.410 0 116 PRO A CA  1 ? 
ATOM   897  C C   . PRO A 1 116 ? 19.160  -23.330 -10.100 1.000 22.207 0 116 PRO A C   1 ? 
ATOM   898  O O   . PRO A 1 116 ? 18.895  -24.499 -10.378 1.000 23.920 0 116 PRO A O   1 ? 
ATOM   899  C CB  . PRO A 1 116 ? 19.780  -23.157 -7.667  1.000 21.694 0 116 PRO A CB  1 ? 
ATOM   900  C CG  . PRO A 1 116 ? 19.341  -24.480 -7.202  1.000 23.013 0 116 PRO A CG  1 ? 
ATOM   901  C CD  . PRO A 1 116 ? 17.820  -24.379 -7.135  1.000 21.303 0 116 PRO A CD  1 ? 
ATOM   902  N N   . THR A 1 117 ? 19.801  -22.480 -10.892 1.000 22.192 0 117 THR A N   1 ? 
ATOM   903  C CA  . THR A 1 117 ? 20.403  -22.921 -12.155 1.000 25.022 0 117 THR A CA  1 ? 
ATOM   904  C C   . THR A 1 117 ? 21.913  -23.015 -12.035 1.000 27.518 0 117 THR A C   1 ? 
ATOM   905  O O   . THR A 1 117 ? 22.543  -23.394 -13.019 1.000 30.624 0 117 THR A O   1 ? 
ATOM   906  C CB  . THR A 1 117 ? 20.022  -21.971 -13.269 1.000 24.151 0 117 THR A CB  1 ? 
ATOM   907  O OG1 . THR A 1 117 ? 20.457  -20.652 -12.956 1.000 25.957 0 117 THR A OG1 1 ? 
ATOM   908  C CG2 . THR A 1 117 ? 18.521  -21.928 -13.497 1.000 25.633 0 117 THR A CG2 1 ? 
ATOM   909  N N   . THR A 1 118 ? 22.443  -22.654 -10.863 1.000 25.566 0 118 THR A N   1 ? 
ATOM   910  C CA  . THR A 1 118 ? 23.864  -22.809 -10.513 1.000 28.179 0 118 THR A CA  1 ? 
ATOM   911  C C   . THR A 1 118 ? 23.997  -23.847 -9.402  1.000 34.202 0 118 THR A C   1 ? 
ATOM   912  O O   . THR A 1 118 ? 22.996  -24.362 -8.878  1.000 31.817 0 118 THR A O   1 ? 
ATOM   913  C CB  . THR A 1 118 ? 24.442  -21.447 -10.138 1.000 27.331 0 118 THR A CB  1 ? 
ATOM   914  O OG1 . THR A 1 118 ? 23.616  -20.886 -9.109  1.000 28.270 0 118 THR A OG1 1 ? 
ATOM   915  C CG2 . THR A 1 118 ? 24.507  -20.512 -11.334 1.000 31.467 0 118 THR A CG2 1 ? 
ATOM   916  N N   . ARG A 1 119 ? 25.251  -24.152 -9.030  1.000 32.924 0 119 ARG A N   1 ? 
ATOM   917  C CA  . ARG A 1 119 ? 25.537  -25.305 -8.193  1.000 35.733 0 119 ARG A CA  1 ? 
ATOM   918  C C   . ARG A 1 119 ? 25.336  -24.985 -6.716  1.000 34.255 0 119 ARG A C   1 ? 
ATOM   919  O O   . ARG A 1 119 ? 25.452  -23.826 -6.295  1.000 38.389 0 119 ARG A O   1 ? 
ATOM   920  C CB  . ARG A 1 119 ? 26.995  -25.778 -8.390  1.000 42.369 0 119 ARG A CB  1 ? 
ATOM   921  C CG  . ARG A 1 119 ? 27.238  -26.578 -9.660  0.300 46.356 0 119 ARG A CG  1 ? 
ATOM   922  C CD  . ARG A 1 119 ? 26.419  -27.862 -9.726  0.600 51.528 0 119 ARG A CD  1 ? 
ATOM   923  N NE  . ARG A 1 119 ? 25.770  -27.876 -11.044 0.580 56.767 0 119 ARG A NE  1 ? 
ATOM   924  C CZ  . ARG A 1 119 ? 26.219  -27.146 -12.062 0.260 57.747 0 119 ARG A CZ  1 ? 
ATOM   925  N NH1 . ARG A 1 119 ? 27.486  -26.760 -12.085 0.700 63.729 0 119 ARG A NH1 1 ? 
ATOM   926  N NH2 . ARG A 1 119 ? 25.425  -26.875 -13.083 0.370 56.254 0 119 ARG A NH2 1 ? 
ATOM   927  N N   . GLY A 1 120 ? 24.996  -26.028 -5.947  1.000 32.016 0 120 GLY A N   1 ? 
ATOM   928  C CA  . GLY A 1 120 ? 25.273  -26.066 -4.519  1.000 33.185 0 120 GLY A CA  1 ? 
ATOM   929  C C   . GLY A 1 120 ? 24.050  -25.990 -3.603  1.000 32.098 0 120 GLY A C   1 ? 
ATOM   930  O O   . GLY A 1 120 ? 24.203  -25.724 -2.418  1.000 31.960 0 120 GLY A O   1 ? 
ATOM   931  N N   . CYS A 1 121 ? 22.842  -26.163 -4.148  1.000 27.885 0 121 CYS A N   1 ? 
ATOM   932  C CA  . CYS A 1 121 ? 21.653  -26.311 -3.335  1.000 28.377 0 121 CYS A CA  1 ? 
ATOM   933  C C   . CYS A 1 121 ? 20.559  -26.934 -4.207  1.000 31.382 0 121 CYS A C   1 ? 
ATOM   934  O O   . CYS A 1 121 ? 20.688  -26.989 -5.428  1.000 37.144 0 121 CYS A O   1 ? 
ATOM   935  C CB  . CYS A 1 121 ? 21.182  -24.984 -2.741  1.000 27.915 0 121 CYS A CB  1 ? 
ATOM   936  S SG  . CYS A 1 121 ? 21.022  -23.692 -3.991  1.000 27.900 0 121 CYS A SG  1 ? 
ATOM   937  N N   . ARG A 1 122 ? 19.444  -27.220 -3.561  1.000 28.254 0 122 ARG A N   1 ? 
ATOM   938  C CA  A ARG A 1 122 ? 18.322  -27.917 -4.160  0.450 29.979 0 122 ARG A CA  1 ? 
ATOM   939  C CA  B ARG A 1 122 ? 18.325  -27.915 -4.172  0.550 30.739 0 122 ARG A CA  1 ? 
ATOM   940  C C   . ARG A 1 122 ? 17.213  -26.906 -4.431  1.000 25.575 0 122 ARG A C   1 ? 
ATOM   941  O O   . ARG A 1 122 ? 17.255  -25.792 -3.915  1.000 28.579 0 122 ARG A O   1 ? 
ATOM   942  C CB  A ARG A 1 122 ? 17.852  -28.991 -3.176  0.450 34.893 0 122 ARG A CB  1 ? 
ATOM   943  C CB  B ARG A 1 122 ? 17.776  -29.012 -3.255  0.550 37.325 0 122 ARG A CB  1 ? 
ATOM   944  C CG  A ARG A 1 122 ? 17.157  -28.478 -1.921  0.450 37.504 0 122 ARG A CG  1 ? 
ATOM   945  C CG  B ARG A 1 122 ? 16.951  -28.551 -2.058  0.550 40.675 0 122 ARG A CG  1 ? 
ATOM   946  C CD  A ARG A 1 122 ? 17.236  -29.479 -0.778  0.450 40.797 0 122 ARG A CD  1 ? 
ATOM   947  C CD  B ARG A 1 122 ? 16.129  -29.699 -1.488  0.550 44.105 0 122 ARG A CD  1 ? 
ATOM   948  N NE  A ARG A 1 122 ? 16.414  -29.064 0.365   0.450 43.971 0 122 ARG A NE  1 ? 
ATOM   949  N NE  B ARG A 1 122 ? 15.286  -29.276 -0.363  0.550 49.232 0 122 ARG A NE  1 ? 
ATOM   950  C CZ  A ARG A 1 122 ? 16.872  -28.452 1.452   0.450 46.856 0 122 ARG A CZ  1 ? 
ATOM   951  C CZ  B ARG A 1 122 ? 13.958  -29.387 -0.266  0.550 47.117 0 122 ARG A CZ  1 ? 
ATOM   952  N NH1 A ARG A 1 122 ? 18.153  -28.154 1.550   0.450 44.928 0 122 ARG A NH1 1 ? 
ATOM   953  N NH1 B ARG A 1 122 ? 13.224  -29.797 -1.288  0.550 43.839 0 122 ARG A NH1 1 ? 
ATOM   954  N NH2 A ARG A 1 122 ? 16.044  -28.119 2.427   0.450 48.030 0 122 ARG A NH2 1 ? 
ATOM   955  N NH2 B ARG A 1 122 ? 13.363  -29.069 0.867   0.550 48.568 0 122 ARG A NH2 1 ? 
ATOM   956  N N   . GLY A 1 123 ? 16.274  -27.282 -5.274  1.000 24.114 0 123 GLY A N   1 ? 
ATOM   957  C CA  . GLY A 1 123 ? 15.107  -26.437 -5.465  1.000 22.335 0 123 GLY A CA  1 ? 
ATOM   958  C C   . GLY A 1 123 ? 13.940  -26.868 -4.574  1.000 23.889 0 123 GLY A C   1 ? 
ATOM   959  O O   . GLY A 1 123 ? 13.972  -27.887 -3.873  1.000 25.132 0 123 GLY A O   1 ? 
ATOM   960  N N   . VAL A 1 124 ? 12.853  -26.103 -4.666  1.000 22.038 0 124 VAL A N   1 ? 
ATOM   961  C CA  . VAL A 1 124 ? 11.630  -26.475 -3.970  1.000 23.318 0 124 VAL A CA  1 ? 
ATOM   962  C C   . VAL A 1 124 ? 10.471  -26.364 -4.941  1.000 21.136 0 124 VAL A C   1 ? 
ATOM   963  O O   . VAL A 1 124 ? 10.536  -25.634 -5.922  1.000 20.047 0 124 VAL A O   1 ? 
ATOM   964  C CB  . VAL A 1 124 ? 11.399  -25.626 -2.712  1.000 27.383 0 124 VAL A CB  1 ? 
ATOM   965  C CG1 . VAL A 1 124 ? 12.302  -26.126 -1.564  1.000 31.449 0 124 VAL A CG1 1 ? 
ATOM   966  C CG2 . VAL A 1 124 ? 11.597  -24.145 -2.982  1.000 27.529 0 124 VAL A CG2 1 ? 
ATOM   967  N N   . ARG A 1 125 ? 9.397   -27.102 -4.659  1.000 19.050 0 125 ARG A N   1 ? 
ATOM   968  C CA  . ARG A 1 125 ? 8.277   -27.130 -5.569  1.000 20.109 0 125 ARG A CA  1 ? 
ATOM   969  C C   . ARG A 1 125 ? 6.983   -27.276 -4.766  1.000 21.303 0 125 ARG A C   1 ? 
ATOM   970  O O   . ARG A 1 125 ? 6.932   -27.950 -3.724  1.000 21.386 0 125 ARG A O   1 ? 
ATOM   971  C CB  . ARG A 1 125 ? 8.457   -28.317 -6.514  1.000 24.483 0 125 ARG A CB  1 ? 
ATOM   972  C CG  . ARG A 1 125 ? 7.292   -28.677 -7.413  1.000 30.957 0 125 ARG A CG  1 ? 
ATOM   973  C CD  . ARG A 1 125 ? 7.695   -29.914 -8.258  1.000 34.334 0 125 ARG A CD  1 ? 
ATOM   974  N NE  . ARG A 1 125 ? 8.785   -29.588 -9.194  1.000 34.860 0 125 ARG A NE  1 ? 
ATOM   975  C CZ  . ARG A 1 125 ? 9.165   -30.333 -10.236 1.000 41.978 0 125 ARG A CZ  1 ? 
ATOM   976  N NH1 . ARG A 1 125 ? 8.471   -31.409 -10.577 1.000 43.328 0 125 ARG A NH1 1 ? 
ATOM   977  N NH2 . ARG A 1 125 ? 10.212  -29.976 -10.952 1.000 37.302 0 125 ARG A NH2 1 ? 
ATOM   978  N N   . CYS A 1 126 ? 5.931   -26.664 -5.293  1.000 17.967 0 126 CYS A N   1 ? 
ATOM   979  C CA  . CYS A 1 126 ? 4.560   -26.930 -4.859  1.000 17.524 0 126 CYS A CA  1 ? 
ATOM   980  C C   . CYS A 1 126 ? 3.726   -27.074 -6.115  1.000 18.082 0 126 CYS A C   1 ? 
ATOM   981  O O   . CYS A 1 126 ? 3.390   -26.051 -6.755  1.000 18.077 0 126 CYS A O   1 ? 
ATOM   982  C CB  . CYS A 1 126 ? 4.029   -25.806 -3.981  1.000 18.675 0 126 CYS A CB  1 ? 
ATOM   983  S SG  . CYS A 1 126 ? 2.300   -26.081 -3.496  1.000 19.008 0 126 CYS A SG  1 ? 
ATOM   984  N N   . ALA A 1 127 ? 3.449   -28.320 -6.492  1.000 18.966 0 127 ALA A N   1 ? 
ATOM   985  C CA  . ALA A 1 127 ? 2.808   -28.589 -7.780  1.000 21.632 0 127 ALA A CA  1 ? 
ATOM   986  C C   . ALA A 1 127 ? 1.552   -29.439 -7.681  1.000 24.676 0 127 ALA A C   1 ? 
ATOM   987  O O   . ALA A 1 127 ? 1.015   -29.894 -8.689  1.000 28.130 0 127 ALA A O   1 ? 
ATOM   988  C CB  . ALA A 1 127 ? 3.786   -29.243 -8.713  1.000 23.949 0 127 ALA A CB  1 ? 
ATOM   989  N N   . ALA A 1 128 ? 1.017   -29.583 -6.486  1.000 22.195 0 128 ALA A N   1 ? 
ATOM   990  C CA  . ALA A 1 128 ? -0.215  -30.331 -6.284  1.000 22.741 0 128 ALA A CA  1 ? 
ATOM   991  C C   . ALA A 1 128 ? -1.415  -29.510 -6.733  1.000 22.464 0 128 ALA A C   1 ? 
ATOM   992  O O   . ALA A 1 128 ? -1.358  -28.299 -6.893  1.000 21.628 0 128 ALA A O   1 ? 
ATOM   993  C CB  . ALA A 1 128 ? -0.310  -30.690 -4.826  1.000 23.711 0 128 ALA A CB  1 ? 
ATOM   994  N N   . ASP A 1 129 ? -2.555  -30.179 -6.919  1.000 22.484 0 129 ASP A N   1 ? 
ATOM   995  C CA  . ASP A 1 129 ? -3.772  -29.531 -7.362  1.000 25.031 0 129 ASP A CA  1 ? 
ATOM   996  C C   . ASP A 1 129 ? -4.514  -28.925 -6.171  1.000 22.435 0 129 ASP A C   1 ? 
ATOM   997  O O   . ASP A 1 129 ? -5.554  -29.389 -5.735  1.000 20.782 0 129 ASP A O   1 ? 
ATOM   998  C CB  . ASP A 1 129 ? -4.733  -30.488 -8.060  1.000 30.049 0 129 ASP A CB  1 ? 
ATOM   999  C CG  . ASP A 1 129 ? -5.934  -29.810 -8.705  1.000 27.300 0 129 ASP A CG  1 ? 
ATOM   1000 O OD1 . ASP A 1 129 ? -5.963  -28.554 -8.822  1.000 27.302 0 129 ASP A OD1 1 ? 
ATOM   1001 O OD2 . ASP A 1 129 ? -6.859  -30.558 -9.061  1.000 36.085 0 129 ASP A OD2 1 ? 
ATOM   1002 N N   . ILE A 1 130 ? -3.904  -27.881 -5.604  1.000 19.271 0 130 ILE A N   1 ? 
ATOM   1003 C CA  . ILE A 1 130 ? -4.471  -27.226 -4.442  1.000 18.709 0 130 ILE A CA  1 ? 
ATOM   1004 C C   . ILE A 1 130 ? -5.779  -26.554 -4.799  1.000 18.073 0 130 ILE A C   1 ? 
ATOM   1005 O O   . ILE A 1 130 ? -6.687  -26.536 -3.984  1.000 20.034 0 130 ILE A O   1 ? 
ATOM   1006 C CB  . ILE A 1 130 ? -3.424  -26.288 -3.834  1.000 18.199 0 130 ILE A CB  1 ? 
ATOM   1007 C CG1 . ILE A 1 130 ? -2.360  -27.133 -3.114  1.000 20.204 0 130 ILE A CG1 1 ? 
ATOM   1008 C CG2 . ILE A 1 130 ? -4.065  -25.242 -2.921  1.000 19.813 0 130 ILE A CG2 1 ? 
ATOM   1009 C CD1 . ILE A 1 130 ? -1.303  -26.359 -2.378  1.000 23.408 0 130 ILE A CD1 1 ? 
ATOM   1010 N N   . VAL A 1 131 ? -5.934  -25.981 -5.997  1.000 16.659 0 131 VAL A N   1 ? 
ATOM   1011 C CA  . VAL A 1 131 ? -7.175  -25.334 -6.317  1.000 18.569 0 131 VAL A CA  1 ? 
ATOM   1012 C C   . VAL A 1 131 ? -8.303  -26.364 -6.413  1.000 19.797 0 131 VAL A C   1 ? 
ATOM   1013 O O   . VAL A 1 131 ? -9.405  -26.090 -5.898  1.000 21.600 0 131 VAL A O   1 ? 
ATOM   1014 C CB  . VAL A 1 131 ? -7.056  -24.501 -7.603  1.000 22.277 0 131 VAL A CB  1 ? 
ATOM   1015 C CG1 . VAL A 1 131 ? -8.405  -23.914 -7.946  1.000 25.867 0 131 VAL A CG1 1 ? 
ATOM   1016 C CG2 . VAL A 1 131 ? -5.973  -23.427 -7.479  1.000 23.943 0 131 VAL A CG2 1 ? 
ATOM   1017 N N   . GLY A 1 132 ? -8.039  -27.499 -7.062  1.000 20.206 0 132 GLY A N   1 ? 
ATOM   1018 C CA  . GLY A 1 132 ? -9.102  -28.489 -7.206  1.000 20.352 0 132 GLY A CA  1 ? 
ATOM   1019 C C   . GLY A 1 132 ? -9.557  -29.051 -5.854  1.000 23.104 0 132 GLY A C   1 ? 
ATOM   1020 O O   . GLY A 1 132 ? -10.764 -29.324 -5.684  1.000 25.161 0 132 GLY A O   1 ? 
ATOM   1021 N N   . GLN A 1 133 ? -8.620  -29.158 -4.901  1.000 19.557 0 133 GLN A N   1 ? 
ATOM   1022 C CA  . GLN A 1 133 ? -8.890  -29.807 -3.622  1.000 19.360 0 133 GLN A CA  1 ? 
ATOM   1023 C C   . GLN A 1 133 ? -9.284  -28.801 -2.533  1.000 18.950 0 133 GLN A C   1 ? 
ATOM   1024 O O   . GLN A 1 133 ? -9.613  -29.216 -1.435  1.000 20.305 0 133 GLN A O   1 ? 
ATOM   1025 C CB  . GLN A 1 133 ? -7.670  -30.601 -3.170  1.000 22.290 0 133 GLN A CB  1 ? 
ATOM   1026 C CG  . GLN A 1 133 ? -7.272  -31.772 -4.064  1.000 23.190 0 133 GLN A CG  1 ? 
ATOM   1027 C CD  . GLN A 1 133 ? -8.337  -32.827 -4.235  1.000 31.303 0 133 GLN A CD  1 ? 
ATOM   1028 O OE1 . GLN A 1 133 ? -9.449  -32.774 -3.703  1.000 28.607 0 133 GLN A OE1 1 ? 
ATOM   1029 N NE2 . GLN A 1 133 ? -8.034  -33.774 -5.105  1.000 39.823 0 133 GLN A NE2 1 ? 
ATOM   1030 N N   . CYS A 1 134 ? -9.256  -27.510 -2.843  1.000 18.136 0 134 CYS A N   1 ? 
ATOM   1031 C CA  . CYS A 1 134 ? -9.378  -26.422 -1.875  1.000 17.466 0 134 CYS A CA  1 ? 
ATOM   1032 C C   . CYS A 1 134 ? -10.658 -26.580 -1.042  1.000 19.710 0 134 CYS A C   1 ? 
ATOM   1033 O O   . CYS A 1 134 ? -11.731 -26.794 -1.598  1.000 21.119 0 134 CYS A O   1 ? 
ATOM   1034 C CB  . CYS A 1 134 ? -9.413  -25.114 -2.650  1.000 17.038 0 134 CYS A CB  1 ? 
ATOM   1035 S SG  . CYS A 1 134 ? -9.365  -23.612 -1.642  1.000 17.463 0 134 CYS A SG  1 ? 
ATOM   1036 N N   . PRO A 1 135 ? -10.560 -26.447 0.293   1.000 20.247 0 135 PRO A N   1 ? 
ATOM   1037 C CA  . PRO A 1 135 ? -11.744 -26.408 1.151   1.000 23.223 0 135 PRO A CA  1 ? 
ATOM   1038 C C   . PRO A 1 135 ? -12.745 -25.387 0.649   1.000 21.577 0 135 PRO A C   1 ? 
ATOM   1039 O O   . PRO A 1 135 ? -12.408 -24.278 0.300   1.000 19.892 0 135 PRO A O   1 ? 
ATOM   1040 C CB  . PRO A 1 135 ? -11.122 -25.993 2.494   1.000 23.656 0 135 PRO A CB  1 ? 
ATOM   1041 C CG  . PRO A 1 135 ? -9.730  -26.536 2.472   1.000 23.120 0 135 PRO A CG  1 ? 
ATOM   1042 C CD  . PRO A 1 135 ? -9.319  -26.306 1.044   1.000 20.519 0 135 PRO A CD  1 ? 
ATOM   1043 N N   . ALA A 1 136 ? -14.044 -25.700 0.727   1.000 22.796 0 136 ALA A N   1 ? 
ATOM   1044 C CA  . ALA A 1 136 ? -15.086 -24.794 0.276   1.000 24.580 0 136 ALA A CA  1 ? 
ATOM   1045 C C   . ALA A 1 136 ? -14.940 -23.355 0.794   1.000 21.258 0 136 ALA A C   1 ? 
ATOM   1046 O O   . ALA A 1 136 ? -15.087 -22.377 0.049   1.000 24.496 0 136 ALA A O   1 ? 
ATOM   1047 C CB  . ALA A 1 136 ? -16.418 -25.399 0.771   1.000 30.144 0 136 ALA A CB  1 ? 
ATOM   1048 N N   . LYS A 1 137 ? -14.616 -23.191 2.082   1.000 20.184 0 137 LYS A N   1 ? 
ATOM   1049 C CA  . LYS A 1 137 ? -14.595 -21.858 2.651   1.000 20.650 0 137 LYS A CA  1 ? 
ATOM   1050 C C   . LYS A 1 137 ? -13.389 -21.042 2.194   1.000 20.319 0 137 LYS A C   1 ? 
ATOM   1051 O O   . LYS A 1 137 ? -13.404 -19.832 2.322   1.000 21.479 0 137 LYS A O   1 ? 
ATOM   1052 C CB  . LYS A 1 137 ? -14.608 -21.931 4.178   1.000 24.721 0 137 LYS A CB  1 ? 
ATOM   1053 C CG  . LYS A 1 137 ? -15.976 -22.323 4.701   1.000 27.811 0 137 LYS A CG  1 ? 
ATOM   1054 C CD  . LYS A 1 137 ? -16.111 -22.170 6.196   1.000 35.327 0 137 LYS A CD  1 ? 
ATOM   1055 C CE  . LYS A 1 137 ? -17.503 -22.630 6.607   1.000 42.864 0 137 LYS A CE  1 ? 
ATOM   1056 N NZ  . LYS A 1 137 ? -17.526 -22.883 8.053   1.000 47.578 0 137 LYS A NZ  1 ? 
ATOM   1057 N N   . LEU A 1 138 ? -12.387 -21.701 1.618   1.000 18.152 0 138 LEU A N   1 ? 
ATOM   1058 C CA  . LEU A 1 138 ? -11.191 -20.972 1.155   1.000 16.598 0 138 LEU A CA  1 ? 
ATOM   1059 C C   . LEU A 1 138 ? -11.219 -20.711 -0.361  1.000 17.222 0 138 LEU A C   1 ? 
ATOM   1060 O O   . LEU A 1 138 ? -10.333 -20.036 -0.878  1.000 18.937 0 138 LEU A O   1 ? 
ATOM   1061 C CB  . LEU A 1 138 ? -9.946  -21.777 1.501   1.000 16.753 0 138 LEU A CB  1 ? 
ATOM   1062 C CG  . LEU A 1 138 ? -9.665  -22.054 2.980   1.000 18.086 0 138 LEU A CG  1 ? 
ATOM   1063 C CD1 . LEU A 1 138 ? -8.342  -22.773 3.146   1.000 20.382 0 138 LEU A CD1 1 ? 
ATOM   1064 C CD2 . LEU A 1 138 ? -9.689  -20.779 3.812   1.000 20.015 0 138 LEU A CD2 1 ? 
ATOM   1065 N N   . LYS A 1 139 ? -12.140 -21.307 -1.119  1.000 17.567 0 139 LYS A N   1 ? 
ATOM   1066 C CA  . LYS A 1 139 ? -12.121 -21.136 -2.555  1.000 20.604 0 139 LYS A CA  1 ? 
ATOM   1067 C C   . LYS A 1 139 ? -12.374 -19.689 -2.920  1.000 22.099 0 139 LYS A C   1 ? 
ATOM   1068 O O   . LYS A 1 139 ? -13.282 -19.047 -2.411  1.000 25.395 0 139 LYS A O   1 ? 
ATOM   1069 C CB  . LYS A 1 139 ? -13.180 -22.020 -3.211  1.000 24.350 0 139 LYS A CB  1 ? 
ATOM   1070 C CG  . LYS A 1 139 ? -12.957 -23.461 -2.999  1.000 34.429 0 139 LYS A CG  1 ? 
ATOM   1071 C CD  . LYS A 1 139 ? -14.151 -24.362 -3.342  1.000 46.422 0 139 LYS A CD  1 ? 
ATOM   1072 C CE  . LYS A 1 139 ? -14.230 -24.732 -4.790  1.000 56.827 0 139 LYS A CE  1 ? 
ATOM   1073 N NZ  . LYS A 1 139 ? -13.062 -25.538 -5.177  1.000 68.842 0 139 LYS A NZ  1 ? 
ATOM   1074 N N   . ALA A 1 140 ? -11.525 -19.141 -3.777  1.000 21.813 0 140 ALA A N   1 ? 
ATOM   1075 C CA  . ALA A 1 140 ? -11.736 -17.796 -4.271  1.000 23.689 0 140 ALA A CA  1 ? 
ATOM   1076 C C   . ALA A 1 140 ? -12.525 -17.841 -5.573  1.000 25.236 0 140 ALA A C   1 ? 
ATOM   1077 O O   . ALA A 1 140 ? -12.139 -18.546 -6.488  1.000 26.203 0 140 ALA A O   1 ? 
ATOM   1078 C CB  . ALA A 1 140 ? -10.387 -17.156 -4.497  1.000 25.224 0 140 ALA A CB  1 ? 
ATOM   1079 N N   . PRO A 1 141 ? -13.582 -17.025 -5.715  1.000 30.215 0 141 PRO A N   1 ? 
ATOM   1080 C CA  . PRO A 1 141 ? -14.392 -17.033 -6.936  1.000 32.392 0 141 PRO A CA  1 ? 
ATOM   1081 C C   . PRO A 1 141 ? -13.602 -16.743 -8.206  1.000 37.420 0 141 PRO A C   1 ? 
ATOM   1082 O O   . PRO A 1 141 ? -13.843 -17.372 -9.232  1.000 42.906 0 141 PRO A O   1 ? 
ATOM   1083 C CB  . PRO A 1 141 ? -15.406 -15.918 -6.643  1.000 32.466 0 141 PRO A CB  1 ? 
ATOM   1084 C CG  . PRO A 1 141 ? -15.510 -15.864 -5.137  1.000 34.046 0 141 PRO A CG  1 ? 
ATOM   1085 C CD  . PRO A 1 141 ? -14.052 -16.061 -4.722  1.000 31.469 0 141 PRO A CD  1 ? 
ATOM   1086 N N   . GLY A 1 142 ? -12.633 -15.812 -8.102  1.000 36.683 0 142 GLY A N   1 ? 
ATOM   1087 C CA  . GLY A 1 142 ? -11.825 -15.403 -9.236  1.000 39.113 0 142 GLY A CA  1 ? 
ATOM   1088 C C   . GLY A 1 142 ? -10.883 -16.513 -9.676  1.000 36.061 0 142 GLY A C   1 ? 
ATOM   1089 O O   . GLY A 1 142 ? -10.319 -16.490 -10.774 1.000 37.993 0 142 GLY A O   1 ? 
ATOM   1090 N N   . GLY A 1 143 ? -10.713 -17.499 -8.795  1.000 32.750 0 143 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 143 ? -9.750  -18.553 -9.022  1.000 29.724 0 143 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 143 ? -8.800  -18.586 -7.817  1.000 25.026 0 143 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 143 ? -8.652  -17.590 -7.093  1.000 28.235 0 143 GLY A O   1 ? 
ATOM   1094 N N   . GLY A 1 144 ? -8.282  -19.761 -7.549  1.000 23.773 0 144 GLY A N   1 ? 
ATOM   1095 C CA  . GLY A 1 144 ? -7.296  -19.935 -6.503  1.000 20.249 0 144 GLY A CA  1 ? 
ATOM   1096 C C   . GLY A 1 144 ? -7.905  -20.350 -5.177  1.000 19.427 0 144 GLY A C   1 ? 
ATOM   1097 O O   . GLY A 1 144 ? -9.112  -20.572 -5.056  1.000 18.743 0 144 GLY A O   1 ? 
ATOM   1098 N N   . CYS A 1 145 ? -6.999  -20.564 -4.246  1.000 15.998 0 145 CYS A N   1 ? 
ATOM   1099 C CA  . CYS A 1 145 ? -7.351  -21.087 -2.912  1.000 15.367 0 145 CYS A CA  1 ? 
ATOM   1100 C C   . CYS A 1 145 ? -6.718  -20.146 -1.905  1.000 15.047 0 145 CYS A C   1 ? 
ATOM   1101 O O   . CYS A 1 145 ? -5.501  -20.068 -1.806  1.000 15.797 0 145 CYS A O   1 ? 
ATOM   1102 C CB  . CYS A 1 145 ? -6.805  -22.500 -2.735  1.000 15.317 0 145 CYS A CB  1 ? 
ATOM   1103 S SG  . CYS A 1 145 ? -7.390  -23.334 -1.256  1.000 16.593 0 145 CYS A SG  1 ? 
ATOM   1104 N N   . ASN A 1 146 ? -7.564  -19.373 -1.210  1.000 15.231 0 146 ASN A N   1 ? 
ATOM   1105 C CA  . ASN A 1 146 ? -7.097  -18.409 -0.253  1.000 15.750 0 146 ASN A CA  1 ? 
ATOM   1106 C C   . ASN A 1 146 ? -6.527  -19.102 0.977   1.000 15.108 0 146 ASN A C   1 ? 
ATOM   1107 O O   . ASN A 1 146 ? -6.965  -20.182 1.359   1.000 16.802 0 146 ASN A O   1 ? 
ATOM   1108 C CB  . ASN A 1 146 ? -8.226  -17.517 0.239   1.000 16.725 0 146 ASN A CB  1 ? 
ATOM   1109 C CG  . ASN A 1 146 ? -8.783  -16.528 -0.757  1.000 21.590 0 146 ASN A CG  1 ? 
ATOM   1110 O OD1 . ASN A 1 146 ? -10.020 -16.415 -0.941  1.000 29.460 0 146 ASN A OD1 1 ? 
ATOM   1111 N ND2 . ASN A 1 146 ? -7.900  -15.755 -1.301  1.000 21.526 0 146 ASN A ND2 1 ? 
ATOM   1112 N N   . ASP A 1 147 ? -5.618  -18.412 1.647   1.000 14.733 0 147 ASP A N   1 ? 
ATOM   1113 C CA  . ASP A 1 147 ? -5.209  -18.761 3.004   1.000 13.895 0 147 ASP A CA  1 ? 
ATOM   1114 C C   . ASP A 1 147 ? -6.289  -18.305 3.992   1.000 14.914 0 147 ASP A C   1 ? 
ATOM   1115 O O   . ASP A 1 147 ? -7.116  -17.396 3.728   1.000 15.081 0 147 ASP A O   1 ? 
ATOM   1116 C CB  . ASP A 1 147 ? -3.905  -18.091 3.338   1.000 14.991 0 147 ASP A CB  1 ? 
ATOM   1117 C CG  . ASP A 1 147 ? -4.028  -16.594 3.414   1.000 16.383 0 147 ASP A CG  1 ? 
ATOM   1118 O OD1 . ASP A 1 147 ? -4.120  -15.951 2.335   1.000 16.159 0 147 ASP A OD1 1 ? 
ATOM   1119 O OD2 . ASP A 1 147 ? -4.124  -16.073 4.571   1.000 17.065 0 147 ASP A OD2 1 ? 
ATOM   1120 N N   . ALA A 1 148 ? -6.253  -18.949 5.166   1.000 14.749 0 148 ALA A N   1 ? 
ATOM   1121 C CA  . ALA A 1 148 ? -7.266  -18.656 6.167   1.000 15.022 0 148 ALA A CA  1 ? 
ATOM   1122 C C   . ALA A 1 148 ? -7.160  -17.266 6.766   1.000 14.547 0 148 ALA A C   1 ? 
ATOM   1123 O O   . ALA A 1 148 ? -8.156  -16.755 7.261   1.000 14.958 0 148 ALA A O   1 ? 
ATOM   1124 C CB  . ALA A 1 148 ? -7.179  -19.704 7.273   1.000 15.221 0 148 ALA A CB  1 ? 
ATOM   1125 N N   . CYS A 1 149 ? -5.969  -16.680 6.852   1.000 14.615 0 149 CYS A N   1 ? 
ATOM   1126 C CA  . CYS A 1 149 ? -5.812  -15.335 7.377   1.000 14.363 0 149 CYS A CA  1 ? 
ATOM   1127 C C   . CYS A 1 149 ? -6.568  -14.352 6.483   1.000 16.020 0 149 CYS A C   1 ? 
ATOM   1128 O O   . CYS A 1 149 ? -7.368  -13.525 6.950   1.000 17.018 0 149 CYS A O   1 ? 
ATOM   1129 C CB  . CYS A 1 149 ? -4.342  -14.980 7.552   1.000 15.523 0 149 CYS A CB  1 ? 
ATOM   1130 S SG  . CYS A 1 149 ? -4.044  -13.221 7.886   1.000 16.925 0 149 CYS A SG  1 ? 
ATOM   1131 N N   . THR A 1 150 ? -6.331  -14.417 5.161   1.000 13.810 0 150 THR A N   1 ? 
ATOM   1132 C CA  . THR A 1 150 ? -7.043  -13.579 4.204   1.000 15.514 0 150 THR A CA  1 ? 
ATOM   1133 C C   . THR A 1 150 ? -8.538  -13.691 4.394   1.000 15.200 0 150 THR A C   1 ? 
ATOM   1134 O O   . THR A 1 150 ? -9.219  -12.681 4.391   1.000 18.904 0 150 THR A O   1 ? 
ATOM   1135 C CB  . THR A 1 150 ? -6.630  -14.004 2.798   1.000 17.293 0 150 THR A CB  1 ? 
ATOM   1136 O OG1 . THR A 1 150 ? -5.242  -13.663 2.670   1.000 17.665 0 150 THR A OG1 1 ? 
ATOM   1137 C CG2 . THR A 1 150 ? -7.473  -13.321 1.746   1.000 19.683 0 150 THR A CG2 1 ? 
ATOM   1138 N N   . VAL A 1 151 ? -9.051  -14.910 4.544   1.000 14.662 0 151 VAL A N   1 ? 
ATOM   1139 C CA  . VAL A 1 151 ? -10.487 -15.114 4.589   1.000 16.032 0 151 VAL A CA  1 ? 
ATOM   1140 C C   . VAL A 1 151 ? -11.075 -14.650 5.922   1.000 15.457 0 151 VAL A C   1 ? 
ATOM   1141 O O   . VAL A 1 151 ? -12.058 -13.921 5.944   1.000 18.634 0 151 VAL A O   1 ? 
ATOM   1142 C CB  . VAL A 1 151 ? -10.861 -16.571 4.318   1.000 16.962 0 151 VAL A CB  1 ? 
ATOM   1143 C CG1 . VAL A 1 151 ? -12.349 -16.847 4.522   1.000 18.814 0 151 VAL A CG1 1 ? 
ATOM   1144 C CG2 . VAL A 1 151 ? -10.444 -16.912 2.894   1.000 18.420 0 151 VAL A CG2 1 ? 
ATOM   1145 N N   . PHE A 1 152 ? -10.507 -15.087 7.040   1.000 15.229 0 152 PHE A N   1 ? 
ATOM   1146 C CA  . PHE A 1 152 ? -11.198 -14.974 8.331   1.000 16.267 0 152 PHE A CA  1 ? 
ATOM   1147 C C   . PHE A 1 152 ? -10.650 -13.849 9.200   1.000 16.526 0 152 PHE A C   1 ? 
ATOM   1148 O O   . PHE A 1 152 ? -11.319 -13.443 10.153  1.000 17.534 0 152 PHE A O   1 ? 
ATOM   1149 C CB  . PHE A 1 152 ? -11.120 -16.294 9.086   1.000 15.641 0 152 PHE A CB  1 ? 
ATOM   1150 C CG  . PHE A 1 152 ? -11.921 -17.377 8.433   1.000 15.378 0 152 PHE A CG  1 ? 
ATOM   1151 C CD1 . PHE A 1 152 ? -13.303 -17.368 8.490   1.000 17.754 0 152 PHE A CD1 1 ? 
ATOM   1152 C CD2 . PHE A 1 152 ? -11.285 -18.379 7.724   1.000 16.873 0 152 PHE A CD2 1 ? 
ATOM   1153 C CE1 . PHE A 1 152 ? -14.033 -18.387 7.900   1.000 19.972 0 152 PHE A CE1 1 ? 
ATOM   1154 C CE2 . PHE A 1 152 ? -12.027 -19.385 7.137   1.000 18.522 0 152 PHE A CE2 1 ? 
ATOM   1155 C CZ  . PHE A 1 152 ? -13.385 -19.360 7.205   1.000 19.073 0 152 PHE A CZ  1 ? 
ATOM   1156 N N   . GLN A 1 153 ? -9.404  -13.387 8.986   1.000 16.299 0 153 GLN A N   1 ? 
ATOM   1157 C CA  A GLN A 1 153 ? -8.862  -12.237 9.678   0.740 15.226 0 153 GLN A CA  1 ? 
ATOM   1158 C CA  B GLN A 1 153 ? -8.789  -12.262 9.682   0.260 15.231 0 153 GLN A CA  1 ? 
ATOM   1159 C C   . GLN A 1 153 ? -8.858  -12.425 11.199  1.000 16.026 0 153 GLN A C   1 ? 
ATOM   1160 O O   . GLN A 1 153 ? -9.280  -11.509 11.922  1.000 17.135 0 153 GLN A O   1 ? 
ATOM   1161 C CB  A GLN A 1 153 ? -9.679  -10.991 9.324   0.740 18.026 0 153 GLN A CB  1 ? 
ATOM   1162 C CB  B GLN A 1 153 ? -9.352  -10.909 9.244   0.260 15.144 0 153 GLN A CB  1 ? 
ATOM   1163 C CG  A GLN A 1 153 ? -9.707  -10.640 7.840   0.740 21.844 0 153 GLN A CG  1 ? 
ATOM   1164 C CG  B GLN A 1 153 ? -9.019  -10.557 7.800   0.260 15.376 0 153 GLN A CG  1 ? 
ATOM   1165 C CD  A GLN A 1 153 ? -8.477  -9.860  7.466   0.740 28.866 0 153 GLN A CD  1 ? 
ATOM   1166 C CD  B GLN A 1 153 ? -7.691  -9.845  7.629   0.260 16.617 0 153 GLN A CD  1 ? 
ATOM   1167 O OE1 A GLN A 1 153 ? -8.464  -8.629  7.500   0.740 27.144 0 153 GLN A OE1 1 ? 
ATOM   1168 O OE1 B GLN A 1 153 ? -7.560  -8.627  7.833   0.260 14.709 0 153 GLN A OE1 1 ? 
ATOM   1169 N NE2 A GLN A 1 153 ? -7.422  -10.579 7.134   0.740 30.369 0 153 GLN A NE2 1 ? 
ATOM   1170 N NE2 B GLN A 1 153 ? -6.687  -10.594 7.198   0.260 18.902 0 153 GLN A NE2 1 ? 
ATOM   1171 N N   . THR A 1 154 ? -8.394  -13.580 11.690  1.000 14.834 0 154 THR A N   1 ? 
ATOM   1172 C CA  . THR A 1 154 ? -8.276  -13.834 13.119  1.000 14.574 0 154 THR A CA  1 ? 
ATOM   1173 C C   . THR A 1 154 ? -6.812  -13.806 13.534  1.000 15.884 0 154 THR A C   1 ? 
ATOM   1174 O O   . THR A 1 154 ? -5.904  -14.039 12.743  1.000 16.301 0 154 THR A O   1 ? 
ATOM   1175 C CB  . THR A 1 154 ? -8.901  -15.162 13.549  1.000 15.689 0 154 THR A CB  1 ? 
ATOM   1176 O OG1 . THR A 1 154 ? -8.061  -16.180 13.061  1.000 16.436 0 154 THR A OG1 1 ? 
ATOM   1177 C CG2 . THR A 1 154 ? -10.328 -15.348 13.122  1.000 18.452 0 154 THR A CG2 1 ? 
ATOM   1178 N N   . SER A 1 155 ? -6.593  -13.528 14.824  1.000 16.039 0 155 SER A N   1 ? 
ATOM   1179 C CA  A SER A 1 155 ? -5.252  -13.521 15.382  0.710 16.029 0 155 SER A CA  1 ? 
ATOM   1180 C CA  B SER A 1 155 ? -5.265  -13.529 15.412  0.290 15.870 0 155 SER A CA  1 ? 
ATOM   1181 C C   . SER A 1 155 ? -4.586  -14.880 15.178  1.000 15.598 0 155 SER A C   1 ? 
ATOM   1182 O O   . SER A 1 155 ? -3.403  -14.951 14.907  1.000 17.363 0 155 SER A O   1 ? 
ATOM   1183 C CB  A SER A 1 155 ? -5.245  -13.128 16.824  0.710 18.738 0 155 SER A CB  1 ? 
ATOM   1184 C CB  B SER A 1 155 ? -5.344  -13.177 16.881  0.290 16.846 0 155 SER A CB  1 ? 
ATOM   1185 O OG  A SER A 1 155 ? -5.723  -11.812 16.992  0.710 21.639 0 155 SER A OG  1 ? 
ATOM   1186 O OG  B SER A 1 155 ? -6.069  -14.161 17.612  0.290 17.713 0 155 SER A OG  1 ? 
ATOM   1187 N N   . GLU A 1 156 ? -5.362  -15.971 15.285  1.000 15.552 0 156 GLU A N   1 ? 
ATOM   1188 C CA  . GLU A 1 156 ? -4.789  -17.298 15.161  1.000 14.872 0 156 GLU A CA  1 ? 
ATOM   1189 C C   . GLU A 1 156 ? -4.340  -17.582 13.739  1.000 16.593 0 156 GLU A C   1 ? 
ATOM   1190 O O   . GLU A 1 156 ? -3.237  -18.036 13.557  1.000 17.386 0 156 GLU A O   1 ? 
ATOM   1191 C CB  . GLU A 1 156 ? -5.780  -18.371 15.586  1.000 16.127 0 156 GLU A CB  1 ? 
ATOM   1192 C CG  . GLU A 1 156 ? -5.128  -19.751 15.773  1.000 16.039 0 156 GLU A CG  1 ? 
ATOM   1193 C CD  . GLU A 1 156 ? -4.079  -19.793 16.861  1.000 17.051 0 156 GLU A CD  1 ? 
ATOM   1194 O OE1 . GLU A 1 156 ? -3.991  -18.882 17.722  1.000 18.212 0 156 GLU A OE1 1 ? 
ATOM   1195 O OE2 . GLU A 1 156 ? -3.302  -20.786 16.916  1.000 18.523 0 156 GLU A OE2 1 ? 
ATOM   1196 N N   . TYR A 1 157 ? -5.159  -17.268 12.736  1.000 15.249 0 157 TYR A N   1 ? 
ATOM   1197 C CA  . TYR A 1 157 ? -4.719  -17.566 11.388  1.000 15.102 0 157 TYR A CA  1 ? 
ATOM   1198 C C   . TYR A 1 157 ? -3.617  -16.629 10.890  1.000 16.190 0 157 TYR A C   1 ? 
ATOM   1199 O O   . TYR A 1 157 ? -2.780  -17.034 10.062  1.000 16.383 0 157 TYR A O   1 ? 
ATOM   1200 C CB  . TYR A 1 157 ? -5.875  -17.481 10.413  1.000 14.138 0 157 TYR A CB  1 ? 
ATOM   1201 C CG  . TYR A 1 157 ? -6.972  -18.507 10.633  1.000 14.546 0 157 TYR A CG  1 ? 
ATOM   1202 C CD1 . TYR A 1 157 ? -6.681  -19.854 10.870  1.000 15.319 0 157 TYR A CD1 1 ? 
ATOM   1203 C CD2 . TYR A 1 157 ? -8.283  -18.130 10.615  1.000 13.404 0 157 TYR A CD2 1 ? 
ATOM   1204 C CE1 . TYR A 1 157 ? -7.694  -20.755 11.104  1.000 16.425 0 157 TYR A CE1 1 ? 
ATOM   1205 C CE2 . TYR A 1 157 ? -9.307  -19.041 10.801  1.000 15.409 0 157 TYR A CE2 1 ? 
ATOM   1206 C CZ  . TYR A 1 157 ? -9.005  -20.346 11.122  1.000 14.355 0 157 TYR A CZ  1 ? 
ATOM   1207 O OH  . TYR A 1 157 ? -9.977  -21.287 11.342  1.000 16.678 0 157 TYR A OH  1 ? 
ATOM   1208 N N   . CYS A 1 158 ? -3.667  -15.370 11.327  1.000 15.469 0 158 CYS A N   1 ? 
ATOM   1209 C CA  . CYS A 1 158 ? -2.710  -14.382 10.880  1.000 16.153 0 158 CYS A CA  1 ? 
ATOM   1210 C C   . CYS A 1 158 ? -1.463  -14.305 11.762  1.000 18.013 0 158 CYS A C   1 ? 
ATOM   1211 O O   . CYS A 1 158 ? -0.504  -13.631 11.392  1.000 18.553 0 158 CYS A O   1 ? 
ATOM   1212 C CB  . CYS A 1 158 ? -3.403  -13.027 10.770  1.000 16.128 0 158 CYS A CB  1 ? 
ATOM   1213 S SG  . CYS A 1 158 ? -4.875  -12.977 9.715   1.000 16.884 0 158 CYS A SG  1 ? 
ATOM   1214 N N   . CYS A 1 159 ? -1.466  -15.013 12.901  1.000 17.987 0 159 CYS A N   1 ? 
ATOM   1215 C CA  A CYS A 1 159 ? -0.360  -15.091 13.831  0.590 19.836 0 159 CYS A CA  1 ? 
ATOM   1216 C CA  B CYS A 1 159 ? -0.335  -15.093 13.812  0.410 19.425 0 159 CYS A CA  1 ? 
ATOM   1217 C C   . CYS A 1 159 ? 0.058   -13.705 14.321  1.000 20.409 0 159 CYS A C   1 ? 
ATOM   1218 O O   . CYS A 1 159 ? 1.236   -13.393 14.504  1.000 20.277 0 159 CYS A O   1 ? 
ATOM   1219 C CB  A CYS A 1 159 ? 0.815   -15.811 13.207  0.590 20.465 0 159 CYS A CB  1 ? 
ATOM   1220 C CB  B CYS A 1 159 ? 0.863   -15.770 13.162  0.410 19.517 0 159 CYS A CB  1 ? 
ATOM   1221 S SG  A CYS A 1 159 ? 1.709   -16.776 14.442  0.590 20.505 0 159 CYS A SG  1 ? 
ATOM   1222 S SG  B CYS A 1 159 ? 0.575   -17.519 12.773  0.410 18.971 0 159 CYS A SG  1 ? 
ATOM   1223 N N   . THR A 1 160 ? -0.958  -12.897 14.600  1.000 20.528 0 160 THR A N   1 ? 
ATOM   1224 C CA  . THR A 1 160 ? -0.800  -11.499 14.933  1.000 20.527 0 160 THR A CA  1 ? 
ATOM   1225 C C   . THR A 1 160 ? -0.005  -11.305 16.219  1.000 25.358 0 160 THR A C   1 ? 
ATOM   1226 O O   . THR A 1 160 ? 0.703   -10.309 16.292  1.000 29.809 0 160 THR A O   1 ? 
ATOM   1227 C CB  . THR A 1 160 ? -2.206  -10.915 15.108  1.000 24.189 0 160 THR A CB  1 ? 
ATOM   1228 O OG1 . THR A 1 160 ? -2.876  -11.226 13.900  1.000 28.142 0 160 THR A OG1 1 ? 
ATOM   1229 C CG2 . THR A 1 160 ? -2.205  -9.410  15.287  1.000 29.887 0 160 THR A CG2 1 ? 
ATOM   1230 N N   . THR A 1 161 ? -0.173  -12.176 17.214  1.000 25.609 0 161 THR A N   1 ? 
ATOM   1231 C CA  . THR A 1 161 ? 0.503   -12.012 18.503  1.000 31.083 0 161 THR A CA  1 ? 
ATOM   1232 C C   . THR A 1 161 ? 1.901   -12.627 18.453  1.000 35.865 0 161 THR A C   1 ? 
ATOM   1233 O O   . THR A 1 161 ? 2.647   -12.530 19.427  1.000 37.600 0 161 THR A O   1 ? 
ATOM   1234 C CB  . THR A 1 161 ? -0.294  -12.647 19.639  1.000 31.483 0 161 THR A CB  1 ? 
ATOM   1235 O OG1 . THR A 1 161 ? -0.212  -14.060 19.494  1.000 32.636 0 161 THR A OG1 1 ? 
ATOM   1236 C CG2 . THR A 1 161 ? -1.770  -12.284 19.669  1.000 38.420 0 161 THR A CG2 1 ? 
ATOM   1237 N N   . GLY A 1 162 ? 2.240   -13.314 17.361  1.000 30.309 0 162 GLY A N   1 ? 
ATOM   1238 C CA  . GLY A 1 162 ? 3.524   -13.972 17.235  1.000 32.045 0 162 GLY A CA  1 ? 
ATOM   1239 C C   . GLY A 1 162 ? 3.472   -15.351 17.876  1.000 32.154 0 162 GLY A C   1 ? 
ATOM   1240 O O   . GLY A 1 162 ? 4.469   -16.056 17.920  1.000 36.009 0 162 GLY A O   1 ? 
ATOM   1241 N N   . LYS A 1 163 ? 2.289   -15.714 18.380  1.000 29.889 0 163 LYS A N   1 ? 
ATOM   1242 C CA  . LYS A 1 163 ? 2.006   -17.047 18.849  1.000 29.130 0 163 LYS A CA  1 ? 
ATOM   1243 C C   . LYS A 1 163 ? 0.775   -17.531 18.102  1.000 29.239 0 163 LYS A C   1 ? 
ATOM   1244 O O   . LYS A 1 163 ? -0.269  -16.878 18.054  1.000 33.718 0 163 LYS A O   1 ? 
ATOM   1245 C CB  . LYS A 1 163 ? 1.768   -17.168 20.358  1.000 36.569 0 163 LYS A CB  1 ? 
ATOM   1246 C CG  . LYS A 1 163 ? 2.813   -16.484 21.260  0.750 40.400 0 163 LYS A CG  1 ? 
ATOM   1247 C CD  . LYS A 1 163 ? 4.259   -16.924 21.036  0.600 44.483 0 163 LYS A CD  1 ? 
ATOM   1248 C CE  . LYS A 1 163 ? 4.550   -18.341 21.447  0.830 52.944 0 163 LYS A CE  1 ? 
ATOM   1249 N NZ  . LYS A 1 163 ? 5.626   -18.948 20.652  0.680 50.505 0 163 LYS A NZ  1 ? 
ATOM   1250 N N   . CYS A 1 164 ? 0.949   -18.674 17.472  1.000 24.286 0 164 CYS A N   1 ? 
ATOM   1251 C CA  . CYS A 1 164 ? -0.147  -19.331 16.780  1.000 20.025 0 164 CYS A CA  1 ? 
ATOM   1252 C C   . CYS A 1 164 ? 0.303   -20.764 16.570  1.000 21.811 0 164 CYS A C   1 ? 
ATOM   1253 O O   . CYS A 1 164 ? 1.510   -21.038 16.589  1.000 23.761 0 164 CYS A O   1 ? 
ATOM   1254 C CB  . CYS A 1 164 ? -0.481  -18.640 15.476  1.000 20.734 0 164 CYS A CB  1 ? 
ATOM   1255 S SG  . CYS A 1 164 ? 0.928   -18.583 14.337  1.000 22.163 0 164 CYS A SG  1 ? 
ATOM   1256 N N   . GLY A 1 165 ? -0.648  -21.653 16.293  1.000 19.625 0 165 GLY A N   1 ? 
ATOM   1257 C CA  . GLY A 1 165 ? -0.328  -23.007 15.930  1.000 18.534 0 165 GLY A CA  1 ? 
ATOM   1258 C C   . GLY A 1 165 ? -0.813  -23.289 14.521  1.000 18.865 0 165 GLY A C   1 ? 
ATOM   1259 O O   . GLY A 1 165 ? -1.489  -22.473 13.904  1.000 18.916 0 165 GLY A O   1 ? 
ATOM   1260 N N   . PRO A 1 166 ? -0.536  -24.494 14.024  1.000 16.989 0 166 PRO A N   1 ? 
ATOM   1261 C CA  . PRO A 1 166 ? -1.157  -24.995 12.821  1.000 16.422 0 166 PRO A CA  1 ? 
ATOM   1262 C C   . PRO A 1 166 ? -2.668  -25.101 13.011  1.000 17.093 0 166 PRO A C   1 ? 
ATOM   1263 O O   . PRO A 1 166 ? -3.159  -25.278 14.138  1.000 17.825 0 166 PRO A O   1 ? 
ATOM   1264 C CB  . PRO A 1 166 ? -0.466  -26.350 12.557  1.000 19.222 0 166 PRO A CB  1 ? 
ATOM   1265 C CG  . PRO A 1 166 ? 0.164   -26.734 13.877  1.000 21.319 0 166 PRO A CG  1 ? 
ATOM   1266 C CD  . PRO A 1 166 ? 0.222   -25.509 14.752  1.000 18.629 0 166 PRO A CD  1 ? 
ATOM   1267 N N   . THR A 1 167 ? -3.385  -25.058 11.905  1.000 17.013 0 167 THR A N   1 ? 
ATOM   1268 C CA  . THR A 1 167 ? -4.841  -25.106 11.917  1.000 14.887 0 167 THR A CA  1 ? 
ATOM   1269 C C   . THR A 1 167 ? -5.331  -26.126 10.911  1.000 16.461 0 167 THR A C   1 ? 
ATOM   1270 O O   . THR A 1 167 ? -4.556  -26.607 10.079  1.000 16.751 0 167 THR A O   1 ? 
ATOM   1271 C CB  . THR A 1 167 ? -5.373  -23.708 11.579  1.000 16.216 0 167 THR A CB  1 ? 
ATOM   1272 O OG1 . THR A 1 167 ? -5.023  -23.416 10.219  1.000 16.377 0 167 THR A OG1 1 ? 
ATOM   1273 C CG2 . THR A 1 167 ? -4.867  -22.631 12.514  1.000 15.560 0 167 THR A CG2 1 ? 
ATOM   1274 N N   . GLU A 1 168 ? -6.625  -26.425 10.894  1.000 16.244 0 168 GLU A N   1 ? 
ATOM   1275 C CA  A GLU A 1 168 ? -7.211  -27.309 9.888   0.420 18.150 0 168 GLU A CA  1 ? 
ATOM   1276 C CA  B GLU A 1 168 ? -7.140  -27.339 9.893   0.580 17.218 0 168 GLU A CA  1 ? 
ATOM   1277 C C   . GLU A 1 168 ? -6.813  -26.807 8.497   1.000 17.733 0 168 GLU A C   1 ? 
ATOM   1278 O O   . GLU A 1 168 ? -6.498  -27.582 7.595   1.000 18.218 0 168 GLU A O   1 ? 
ATOM   1279 C CB  A GLU A 1 168 ? -8.744  -27.355 10.020  0.420 21.858 0 168 GLU A CB  1 ? 
ATOM   1280 C CB  B GLU A 1 168 ? -8.633  -27.557 10.133  0.580 19.800 0 168 GLU A CB  1 ? 
ATOM   1281 C CG  A GLU A 1 168 ? -9.457  -28.415 9.168   0.420 26.236 0 168 GLU A CG  1 ? 
ATOM   1282 C CG  B GLU A 1 168 ? -8.922  -28.570 11.239  0.580 23.572 0 168 GLU A CG  1 ? 
ATOM   1283 C CD  A GLU A 1 168 ? -10.990 -28.382 9.005   0.420 31.063 0 168 GLU A CD  1 ? 
ATOM   1284 C CD  B GLU A 1 168 ? -8.139  -29.879 11.067  0.580 26.243 0 168 GLU A CD  1 ? 
ATOM   1285 O OE1 A GLU A 1 168 ? -11.600 -29.458 9.129   0.420 34.622 0 168 GLU A OE1 1 ? 
ATOM   1286 O OE1 B GLU A 1 168 ? -8.570  -30.607 10.151  0.580 32.239 0 168 GLU A OE1 1 ? 
ATOM   1287 O OE2 A GLU A 1 168 ? -11.613 -27.339 8.678   0.420 38.151 0 168 GLU A OE2 1 ? 
ATOM   1288 O OE2 B GLU A 1 168 ? -7.037  -30.109 11.668  0.580 25.520 0 168 GLU A OE2 1 ? 
ATOM   1289 N N   . TYR A 1 169 ? -6.866  -25.483 8.335   1.000 15.981 0 169 TYR A N   1 ? 
ATOM   1290 C CA  . TYR A 1 169 ? -6.609  -24.907 7.020   1.000 15.771 0 169 TYR A CA  1 ? 
ATOM   1291 C C   . TYR A 1 169 ? -5.137  -24.954 6.675   1.000 15.988 0 169 TYR A C   1 ? 
ATOM   1292 O O   . TYR A 1 169 ? -4.815  -25.252 5.513   1.000 16.488 0 169 TYR A O   1 ? 
ATOM   1293 C CB  . TYR A 1 169 ? -7.173  -23.495 6.954   1.000 15.826 0 169 TYR A CB  1 ? 
ATOM   1294 C CG  . TYR A 1 169 ? -8.674  -23.375 7.118   1.000 15.267 0 169 TYR A CG  1 ? 
ATOM   1295 C CD1 . TYR A 1 169 ? -9.532  -24.029 6.264   1.000 17.152 0 169 TYR A CD1 1 ? 
ATOM   1296 C CD2 . TYR A 1 169 ? -9.217  -22.613 8.145   1.000 15.842 0 169 TYR A CD2 1 ? 
ATOM   1297 C CE1 . TYR A 1 169 ? -10.896 -23.925 6.410   1.000 18.273 0 169 TYR A CE1 1 ? 
ATOM   1298 C CE2 . TYR A 1 169 ? -10.596 -22.467 8.278   1.000 17.948 0 169 TYR A CE2 1 ? 
ATOM   1299 C CZ  . TYR A 1 169 ? -11.429 -23.173 7.435   1.000 18.594 0 169 TYR A CZ  1 ? 
ATOM   1300 O OH  . TYR A 1 169 ? -12.795 -23.039 7.553   1.000 19.894 0 169 TYR A OH  1 ? 
ATOM   1301 N N   . SER A 1 170 ? -4.239  -24.607 7.597   1.000 14.341 0 170 SER A N   1 ? 
ATOM   1302 C CA  . SER A 1 170 ? -2.810  -24.652 7.283   1.000 16.194 0 170 SER A CA  1 ? 
ATOM   1303 C C   . SER A 1 170 ? -2.401  -26.074 6.950   1.000 15.148 0 170 SER A C   1 ? 
ATOM   1304 O O   . SER A 1 170 ? -1.598  -26.315 6.030   1.000 16.235 0 170 SER A O   1 ? 
ATOM   1305 C CB  . SER A 1 170 ? -1.963  -24.063 8.332   1.000 17.779 0 170 SER A CB  1 ? 
ATOM   1306 O OG  . SER A 1 170 ? -1.811  -24.896 9.474   1.000 16.823 0 170 SER A OG  1 ? 
ATOM   1307 N N   . ARG A 1 171 ? -2.995  -27.075 7.618   1.000 15.576 0 171 ARG A N   1 ? 
ATOM   1308 C CA  . ARG A 1 171 ? -2.614  -28.465 7.420   1.000 16.782 0 171 ARG A CA  1 ? 
ATOM   1309 C C   . ARG A 1 171 ? -3.035  -28.961 6.046   1.000 15.727 0 171 ARG A C   1 ? 
ATOM   1310 O O   . ARG A 1 171 ? -2.374  -29.868 5.541   1.000 18.788 0 171 ARG A O   1 ? 
ATOM   1311 C CB  . ARG A 1 171 ? -3.219  -29.388 8.505   1.000 19.115 0 171 ARG A CB  1 ? 
ATOM   1312 C CG  . ARG A 1 171 ? -2.558  -29.201 9.844   1.000 20.231 0 171 ARG A CG  1 ? 
ATOM   1313 C CD  . ARG A 1 171 ? -3.247  -30.168 10.837  1.000 21.141 0 171 ARG A CD  1 ? 
ATOM   1314 N NE  . ARG A 1 171 ? -2.700  -29.924 12.154  1.000 25.014 0 171 ARG A NE  1 ? 
ATOM   1315 C CZ  . ARG A 1 171 ? -3.291  -29.231 13.119  1.000 21.615 0 171 ARG A CZ  1 ? 
ATOM   1316 N NH1 . ARG A 1 171 ? -4.473  -28.671 12.937  1.000 24.846 0 171 ARG A NH1 1 ? 
ATOM   1317 N NH2 . ARG A 1 171 ? -2.672  -29.180 14.287  1.000 26.031 0 171 ARG A NH2 1 ? 
ATOM   1318 N N   . PHE A 1 172 ? -4.055  -28.362 5.457   1.000 15.438 0 172 PHE A N   1 ? 
ATOM   1319 C CA  . PHE A 1 172 ? -4.498  -28.661 4.105   1.000 15.710 0 172 PHE A CA  1 ? 
ATOM   1320 C C   . PHE A 1 172 ? -3.354  -28.332 3.151   1.000 17.215 0 172 PHE A C   1 ? 
ATOM   1321 O O   . PHE A 1 172 ? -2.934  -29.137 2.330   1.000 17.449 0 172 PHE A O   1 ? 
ATOM   1322 C CB  . PHE A 1 172 ? -5.802  -27.935 3.783   1.000 18.663 0 172 PHE A CB  1 ? 
ATOM   1323 C CG  . PHE A 1 172 ? -6.033  -27.863 2.297   1.000 19.081 0 172 PHE A CG  1 ? 
ATOM   1324 C CD1 . PHE A 1 172 ? -6.413  -28.989 1.583   1.000 18.604 0 172 PHE A CD1 1 ? 
ATOM   1325 C CD2 . PHE A 1 172 ? -5.763  -26.690 1.618   1.000 17.588 0 172 PHE A CD2 1 ? 
ATOM   1326 C CE1 . PHE A 1 172 ? -6.534  -28.936 0.201   1.000 19.534 0 172 PHE A CE1 1 ? 
ATOM   1327 C CE2 . PHE A 1 172 ? -5.895  -26.657 0.244   1.000 18.947 0 172 PHE A CE2 1 ? 
ATOM   1328 C CZ  . PHE A 1 172 ? -6.306  -27.768 -0.453  1.000 19.397 0 172 PHE A CZ  1 ? 
ATOM   1329 N N   . PHE A 1 173 ? -2.852  -27.097 3.236   1.000 15.713 0 173 PHE A N   1 ? 
ATOM   1330 C CA  . PHE A 1 173 ? -1.778  -26.693 2.350   1.000 14.953 0 173 PHE A CA  1 ? 
ATOM   1331 C C   . PHE A 1 173 ? -0.549  -27.556 2.585   1.000 15.769 0 173 PHE A C   1 ? 
ATOM   1332 O O   . PHE A 1 173 ? 0.118   -27.900 1.644   1.000 17.632 0 173 PHE A O   1 ? 
ATOM   1333 C CB  . PHE A 1 173 ? -1.453  -25.208 2.516   1.000 14.881 0 173 PHE A CB  1 ? 
ATOM   1334 C CG  . PHE A 1 173 ? -2.523  -24.273 1.992   1.000 15.223 0 173 PHE A CG  1 ? 
ATOM   1335 C CD1 . PHE A 1 173 ? -2.524  -23.864 0.670   1.000 14.421 0 173 PHE A CD1 1 ? 
ATOM   1336 C CD2 . PHE A 1 173 ? -3.505  -23.760 2.811   1.000 16.948 0 173 PHE A CD2 1 ? 
ATOM   1337 C CE1 . PHE A 1 173 ? -3.491  -23.002 0.209   1.000 17.943 0 173 PHE A CE1 1 ? 
ATOM   1338 C CE2 . PHE A 1 173 ? -4.474  -22.931 2.340   1.000 17.740 0 173 PHE A CE2 1 ? 
ATOM   1339 C CZ  . PHE A 1 173 ? -4.456  -22.537 1.030   1.000 17.790 0 173 PHE A CZ  1 ? 
ATOM   1340 N N   . LYS A 1 174 ? -0.238  -27.886 3.825   1.000 15.481 0 174 LYS A N   1 ? 
ATOM   1341 C CA  . LYS A 1 174 ? 0.970   -28.585 4.190   1.000 15.670 0 174 LYS A CA  1 ? 
ATOM   1342 C C   . LYS A 1 174 ? 0.905   -30.026 3.719   1.000 16.372 0 174 LYS A C   1 ? 
ATOM   1343 O O   . LYS A 1 174 ? 1.929   -30.567 3.290   1.000 20.004 0 174 LYS A O   1 ? 
ATOM   1344 C CB  . LYS A 1 174 ? 1.197   -28.518 5.689   1.000 16.386 0 174 LYS A CB  1 ? 
ATOM   1345 C CG  . LYS A 1 174 ? 2.620   -28.855 6.100   1.000 19.076 0 174 LYS A CG  1 ? 
ATOM   1346 C CD  . LYS A 1 174 ? 3.648   -27.862 5.579   1.000 21.575 0 174 LYS A CD  1 ? 
ATOM   1347 C CE  . LYS A 1 174 ? 4.988   -28.006 6.207   1.000 22.976 0 174 LYS A CE  1 ? 
ATOM   1348 N NZ  . LYS A 1 174 ? 5.866   -26.960 5.718   1.000 22.577 0 174 LYS A NZ  1 ? 
ATOM   1349 N N   . ARG A 1 175 ? -0.282  -30.615 3.728   1.000 17.980 0 175 ARG A N   1 ? 
ATOM   1350 C CA  . ARG A 1 175 ? -0.432  -31.997 3.286   1.000 20.805 0 175 ARG A CA  1 ? 
ATOM   1351 C C   . ARG A 1 175 ? -0.136  -32.104 1.784   1.000 20.968 0 175 ARG A C   1 ? 
ATOM   1352 O O   . ARG A 1 175 ? 0.506   -33.066 1.355   1.000 22.151 0 175 ARG A O   1 ? 
ATOM   1353 C CB  . ARG A 1 175 ? -1.860  -32.442 3.614   1.000 22.935 0 175 ARG A CB  1 ? 
ATOM   1354 C CG  . ARG A 1 175 ? -2.235  -33.791 3.032   1.000 28.036 0 175 ARG A CG  1 ? 
ATOM   1355 C CD  . ARG A 1 175 ? -3.572  -34.266 3.654   1.000 28.984 0 175 ARG A CD  1 ? 
ATOM   1356 N NE  . ARG A 1 175 ? -4.777  -33.518 3.256   1.000 33.221 0 175 ARG A NE  1 ? 
ATOM   1357 C CZ  . ARG A 1 175 ? -5.425  -33.673 2.083   1.000 31.377 0 175 ARG A CZ  1 ? 
ATOM   1358 N NH1 . ARG A 1 175 ? -4.962  -34.489 1.162   1.000 37.124 0 175 ARG A NH1 1 ? 
ATOM   1359 N NH2 . ARG A 1 175 ? -6.539  -33.022 1.834   1.000 32.970 0 175 ARG A NH2 1 ? 
ATOM   1360 N N   . LEU A 1 176 ? -0.646  -31.147 1.009   1.000 17.947 0 176 LEU A N   1 ? 
ATOM   1361 C CA  . LEU A 1 176 ? -0.445  -31.156 -0.437  1.000 18.954 0 176 LEU A CA  1 ? 
ATOM   1362 C C   . LEU A 1 176 ? 0.934   -30.646 -0.852  1.000 21.524 0 176 LEU A C   1 ? 
ATOM   1363 O O   . LEU A 1 176 ? 1.458   -31.123 -1.880  1.000 20.418 0 176 LEU A O   1 ? 
ATOM   1364 C CB  . LEU A 1 176 ? -1.569  -30.383 -1.108  1.000 22.723 0 176 LEU A CB  1 ? 
ATOM   1365 C CG  . LEU A 1 176 ? -2.922  -31.093 -1.042  1.000 30.011 0 176 LEU A CG  1 ? 
ATOM   1366 C CD1 . LEU A 1 176 ? -3.922  -30.336 -1.870  1.000 30.833 0 176 LEU A CD1 1 ? 
ATOM   1367 C CD2 . LEU A 1 176 ? -2.748  -32.529 -1.536  1.000 35.636 0 176 LEU A CD2 1 ? 
ATOM   1368 N N   . CYS A 1 177 ? 1.532   -29.737 -0.079  1.000 17.471 0 177 CYS A N   1 ? 
ATOM   1369 C CA  . CYS A 1 177 ? 2.828   -29.168 -0.428  1.000 18.781 0 177 CYS A CA  1 ? 
ATOM   1370 C C   . CYS A 1 177 ? 3.678   -29.015 0.818   1.000 19.123 0 177 CYS A C   1 ? 
ATOM   1371 O O   . CYS A 1 177 ? 3.780   -27.949 1.423   1.000 18.027 0 177 CYS A O   1 ? 
ATOM   1372 C CB  . CYS A 1 177 ? 2.686   -27.798 -1.079  1.000 19.226 0 177 CYS A CB  1 ? 
ATOM   1373 S SG  . CYS A 1 177 ? 2.179   -27.974 -2.808  1.000 18.516 0 177 CYS A SG  1 ? 
ATOM   1374 N N   . PRO A 1 178 ? 4.283   -30.112 1.266   1.000 19.130 0 178 PRO A N   1 ? 
ATOM   1375 C CA  . PRO A 1 178 ? 5.115   -30.090 2.446   1.000 20.465 0 178 PRO A CA  1 ? 
ATOM   1376 C C   . PRO A 1 178 ? 6.324   -29.174 2.408   1.000 20.389 0 178 PRO A C   1 ? 
ATOM   1377 O O   . PRO A 1 178 ? 6.749   -28.701 3.451   1.000 21.323 0 178 PRO A O   1 ? 
ATOM   1378 C CB  . PRO A 1 178 ? 5.537   -31.549 2.634   1.000 24.307 0 178 PRO A CB  1 ? 
ATOM   1379 C CG  . PRO A 1 178 ? 4.823   -32.347 1.606   1.000 26.234 0 178 PRO A CG  1 ? 
ATOM   1380 C CD  . PRO A 1 178 ? 4.148   -31.446 0.639   1.000 23.630 0 178 PRO A CD  1 ? 
ATOM   1381 N N   . ASP A 1 179 ? 6.815   -28.858 1.200   1.000 20.867 0 179 ASP A N   1 ? 
ATOM   1382 C CA  . ASP A 1 179 ? 8.015   -28.054 1.073   1.000 23.550 0 179 ASP A CA  1 ? 
ATOM   1383 C C   . ASP A 1 179 ? 7.715   -26.565 0.981   1.000 22.094 0 179 ASP A C   1 ? 
ATOM   1384 O O   . ASP A 1 179 ? 8.625   -25.782 0.760   1.000 25.019 0 179 ASP A O   1 ? 
ATOM   1385 C CB  . ASP A 1 179 ? 8.812   -28.523 -0.127  1.000 27.663 0 179 ASP A CB  1 ? 
ATOM   1386 C CG  . ASP A 1 179 ? 9.528   -29.848 0.111   1.000 36.341 0 179 ASP A CG  1 ? 
ATOM   1387 O OD1 . ASP A 1 179 ? 9.915   -30.129 1.295   1.000 46.550 0 179 ASP A OD1 1 ? 
ATOM   1388 O OD2 . ASP A 1 179 ? 9.654   -30.596 -0.861  1.000 39.874 0 179 ASP A OD2 1 ? 
ATOM   1389 N N   . ALA A 1 180 ? 6.464   -26.139 1.211   1.000 17.513 0 180 ALA A N   1 ? 
ATOM   1390 C CA  . ALA A 1 180 ? 6.120   -24.735 1.210   1.000 17.052 0 180 ALA A CA  1 ? 
ATOM   1391 C C   . ALA A 1 180 ? 5.619   -24.308 2.580   1.000 16.949 0 180 ALA A C   1 ? 
ATOM   1392 O O   . ALA A 1 180 ? 4.987   -25.108 3.257   1.000 18.252 0 180 ALA A O   1 ? 
ATOM   1393 C CB  . ALA A 1 180 ? 5.047   -24.452 0.241   1.000 17.427 0 180 ALA A CB  1 ? 
ATOM   1394 N N   . PHE A 1 181 ? 5.892   -23.059 2.952   1.000 15.574 0 181 PHE A N   1 ? 
ATOM   1395 C CA  . PHE A 1 181 ? 5.320   -22.515 4.183   1.000 16.863 0 181 PHE A CA  1 ? 
ATOM   1396 C C   . PHE A 1 181 ? 3.800   -22.558 4.147   1.000 16.518 0 181 PHE A C   1 ? 
ATOM   1397 O O   . PHE A 1 181 ? 3.174   -22.119 3.188   1.000 16.645 0 181 PHE A O   1 ? 
ATOM   1398 C CB  . PHE A 1 181 ? 5.733   -21.076 4.404   1.000 17.052 0 181 PHE A CB  1 ? 
ATOM   1399 C CG  . PHE A 1 181 ? 7.147   -20.923 4.941   1.000 18.614 0 181 PHE A CG  1 ? 
ATOM   1400 C CD1 . PHE A 1 181 ? 8.232   -20.869 4.079   1.000 20.366 0 181 PHE A CD1 1 ? 
ATOM   1401 C CD2 . PHE A 1 181 ? 7.362   -20.777 6.289   1.000 21.093 0 181 PHE A CD2 1 ? 
ATOM   1402 C CE1 . PHE A 1 181 ? 9.514   -20.678 4.583   1.000 23.940 0 181 PHE A CE1 1 ? 
ATOM   1403 C CE2 . PHE A 1 181 ? 8.644   -20.623 6.794   1.000 23.457 0 181 PHE A CE2 1 ? 
ATOM   1404 C CZ  . PHE A 1 181 ? 9.713   -20.619 5.941   1.000 24.908 0 181 PHE A CZ  1 ? 
ATOM   1405 N N   . SER A 1 182 ? 3.187   -23.065 5.234   1.000 16.449 0 182 SER A N   1 ? 
ATOM   1406 C CA  . SER A 1 182 ? 1.724   -23.178 5.283   1.000 16.515 0 182 SER A CA  1 ? 
ATOM   1407 C C   . SER A 1 182 ? 1.098   -22.156 6.242   1.000 18.162 0 182 SER A C   1 ? 
ATOM   1408 O O   . SER A 1 182 ? -0.105  -21.904 6.170   1.000 17.532 0 182 SER A O   1 ? 
ATOM   1409 C CB  . SER A 1 182 ? 1.295   -24.567 5.602   1.000 17.870 0 182 SER A CB  1 ? 
ATOM   1410 O OG  . SER A 1 182 ? 1.655   -24.966 6.925   1.000 17.556 0 182 SER A OG  1 ? 
ATOM   1411 N N   . TYR A 1 183 ? 1.871   -21.641 7.196   1.000 16.442 0 183 TYR A N   1 ? 
ATOM   1412 C CA  . TYR A 1 183 ? 1.420   -20.593 8.091   1.000 18.140 0 183 TYR A CA  1 ? 
ATOM   1413 C C   . TYR A 1 183 ? 2.671   -19.875 8.579   1.000 19.895 0 183 TYR A C   1 ? 
ATOM   1414 O O   . TYR A 1 183 ? 3.787   -20.361 8.342   1.000 20.579 0 183 TYR A O   1 ? 
ATOM   1415 C CB  . TYR A 1 183 ? 0.529   -21.149 9.218   1.000 18.780 0 183 TYR A CB  1 ? 
ATOM   1416 C CG  . TYR A 1 183 ? 1.229   -21.964 10.297  1.000 17.719 0 183 TYR A CG  1 ? 
ATOM   1417 C CD1 . TYR A 1 183 ? 1.670   -23.259 10.067  1.000 18.212 0 183 TYR A CD1 1 ? 
ATOM   1418 C CD2 . TYR A 1 183 ? 1.439   -21.434 11.579  1.000 18.870 0 183 TYR A CD2 1 ? 
ATOM   1419 C CE1 . TYR A 1 183 ? 2.332   -23.990 11.036  1.000 19.610 0 183 TYR A CE1 1 ? 
ATOM   1420 C CE2 . TYR A 1 183 ? 2.004   -22.196 12.591  1.000 18.382 0 183 TYR A CE2 1 ? 
ATOM   1421 C CZ  . TYR A 1 183 ? 2.482   -23.462 12.309  1.000 21.704 0 183 TYR A CZ  1 ? 
ATOM   1422 O OH  . TYR A 1 183 ? 3.093   -24.196 13.279  1.000 25.568 0 183 TYR A OH  1 ? 
ATOM   1423 N N   . VAL A 1 184 ? 2.478   -18.754 9.281   1.000 21.272 0 184 VAL A N   1 ? 
ATOM   1424 C CA  . VAL A 1 184 ? 3.592   -17.865 9.622   1.000 22.952 0 184 VAL A CA  1 ? 
ATOM   1425 C C   . VAL A 1 184 ? 4.653   -18.603 10.432  1.000 22.552 0 184 VAL A C   1 ? 
ATOM   1426 O O   . VAL A 1 184 ? 5.827   -18.427 10.138  1.000 25.451 0 184 VAL A O   1 ? 
ATOM   1427 C CB  . VAL A 1 184 ? 3.080   -16.598 10.351  1.000 25.368 0 184 VAL A CB  1 ? 
ATOM   1428 C CG1 . VAL A 1 184 ? 4.208   -15.776 10.967  1.000 30.401 0 184 VAL A CG1 1 ? 
ATOM   1429 C CG2 . VAL A 1 184 ? 2.243   -15.747 9.416   1.000 29.506 0 184 VAL A CG2 1 ? 
ATOM   1430 N N   . LEU A 1 185 ? 4.309   -19.451 11.398  1.000 22.326 0 185 LEU A N   1 ? 
ATOM   1431 C CA  . LEU A 1 185 ? 5.305   -20.064 12.273  1.000 23.790 0 185 LEU A CA  1 ? 
ATOM   1432 C C   . LEU A 1 185 ? 5.590   -21.502 11.906  1.000 24.335 0 185 LEU A C   1 ? 
ATOM   1433 O O   . LEU A 1 185 ? 6.000   -22.311 12.739  1.000 25.372 0 185 LEU A O   1 ? 
ATOM   1434 C CB  . LEU A 1 185 ? 4.889   -19.985 13.744  1.000 28.249 0 185 LEU A CB  1 ? 
ATOM   1435 C CG  . LEU A 1 185 ? 5.010   -18.617 14.405  1.000 33.150 0 185 LEU A CG  1 ? 
ATOM   1436 C CD1 . LEU A 1 185 ? 4.477   -18.772 15.824  1.000 32.942 0 185 LEU A CD1 1 ? 
ATOM   1437 C CD2 . LEU A 1 185 ? 6.429   -18.087 14.393  1.000 39.065 0 185 LEU A CD2 1 ? 
ATOM   1438 N N   . ASP A 1 186 ? 5.332   -21.863 10.637  1.000 21.719 0 186 ASP A N   1 ? 
ATOM   1439 C CA  . ASP A 1 186 ? 5.625   -23.198 10.192  1.000 20.548 0 186 ASP A CA  1 ? 
ATOM   1440 C C   . ASP A 1 186 ? 7.124   -23.475 10.379  1.000 22.283 0 186 ASP A C   1 ? 
ATOM   1441 O O   . ASP A 1 186 ? 7.931   -22.578 10.235  1.000 25.001 0 186 ASP A O   1 ? 
ATOM   1442 C CB  . ASP A 1 186 ? 5.218   -23.318 8.732   1.000 19.459 0 186 ASP A CB  1 ? 
ATOM   1443 C CG  . ASP A 1 186 ? 4.888   -24.707 8.230   1.000 20.706 0 186 ASP A CG  1 ? 
ATOM   1444 O OD1 . ASP A 1 186 ? 5.074   -25.689 8.971   1.000 23.037 0 186 ASP A OD1 1 ? 
ATOM   1445 O OD2 . ASP A 1 186 ? 4.407   -24.809 7.098   1.000 20.363 0 186 ASP A OD2 1 ? 
ATOM   1446 N N   . LYS A 1 187 ? 7.463   -24.737 10.590  1.000 25.681 0 187 LYS A N   1 ? 
ATOM   1447 C CA  . LYS A 1 187 ? 8.859   -25.121 10.574  1.000 26.498 0 187 LYS A CA  1 ? 
ATOM   1448 C C   . LYS A 1 187 ? 9.450   -24.723 9.212   1.000 24.627 0 187 LYS A C   1 ? 
ATOM   1449 O O   . LYS A 1 187 ? 8.907   -25.068 8.164   1.000 26.752 0 187 LYS A O   1 ? 
ATOM   1450 C CB  . LYS A 1 187 ? 9.004   -26.616 10.846  1.000 32.720 0 187 LYS A CB  1 ? 
ATOM   1451 C CG  . LYS A 1 187 ? 10.443  -27.123 10.878  1.000 45.204 0 187 LYS A CG  1 ? 
ATOM   1452 C CD  . LYS A 1 187 ? 10.495  -28.605 11.246  1.000 57.896 0 187 LYS A CD  1 ? 
ATOM   1453 C CE  . LYS A 1 187 ? 11.758  -29.288 10.794  1.000 67.542 0 187 LYS A CE  1 ? 
ATOM   1454 N NZ  . LYS A 1 187 ? 11.821  -30.662 11.298  0.900 70.629 0 187 LYS A NZ  1 ? 
ATOM   1455 N N   . PRO A 1 188 ? 10.537  -23.934 9.185   1.000 27.573 0 188 PRO A N   1 ? 
ATOM   1456 C CA  . PRO A 1 188 ? 11.006  -23.356 7.928   1.000 29.276 0 188 PRO A CA  1 ? 
ATOM   1457 C C   . PRO A 1 188 ? 11.370  -24.390 6.875   1.000 27.160 0 188 PRO A C   1 ? 
ATOM   1458 O O   . PRO A 1 188 ? 11.975  -25.410 7.164   1.000 27.443 0 188 PRO A O   1 ? 
ATOM   1459 C CB  . PRO A 1 188 ? 12.201  -22.480 8.337   1.000 30.844 0 188 PRO A CB  1 ? 
ATOM   1460 C CG  . PRO A 1 188 ? 11.892  -22.139 9.771   1.000 37.222 0 188 PRO A CG  1 ? 
ATOM   1461 C CD  . PRO A 1 188 ? 11.282  -23.425 10.344  1.000 34.355 0 188 PRO A CD  1 ? 
ATOM   1462 N N   . THR A 1 189 ? 10.970  -24.110 5.633   1.000 24.864 0 189 THR A N   1 ? 
ATOM   1463 C CA  . THR A 1 189 ? 11.390  -24.924 4.490   1.000 26.358 0 189 THR A CA  1 ? 
ATOM   1464 C C   . THR A 1 189 ? 12.316  -24.116 3.588   1.000 23.952 0 189 THR A C   1 ? 
ATOM   1465 O O   . THR A 1 189 ? 12.443  -24.384 2.404   1.000 25.345 0 189 THR A O   1 ? 
ATOM   1466 C CB  . THR A 1 189 ? 10.159  -25.382 3.721   1.000 26.374 0 189 THR A CB  1 ? 
ATOM   1467 O OG1 . THR A 1 189 ? 9.416   -24.190 3.533   1.000 28.289 0 189 THR A OG1 1 ? 
ATOM   1468 C CG2 . THR A 1 189 ? 9.359   -26.391 4.518   1.000 31.140 0 189 THR A CG2 1 ? 
ATOM   1469 N N   . THR A 1 190 ? 12.957  -23.118 4.172   1.000 22.887 0 190 THR A N   1 ? 
ATOM   1470 C CA  . THR A 1 190 ? 13.905  -22.279 3.463   1.000 22.230 0 190 THR A CA  1 ? 
ATOM   1471 C C   . THR A 1 190 ? 15.085  -23.142 3.043   1.000 25.341 0 190 THR A C   1 ? 
ATOM   1472 O O   . THR A 1 190 ? 15.576  -23.965 3.837   1.000 26.939 0 190 THR A O   1 ? 
ATOM   1473 C CB  . THR A 1 190 ? 14.291  -21.133 4.405   1.000 26.939 0 190 THR A CB  1 ? 
ATOM   1474 O OG1 . THR A 1 190 ? 13.058  -20.487 4.712   1.000 29.076 0 190 THR A OG1 1 ? 
ATOM   1475 C CG2 . THR A 1 190 ? 15.167  -20.114 3.701   1.000 26.589 0 190 THR A CG2 1 ? 
ATOM   1476 N N   . VAL A 1 191 ? 15.593  -22.889 1.840   1.000 21.465 0 191 VAL A N   1 ? 
ATOM   1477 C CA  . VAL A 1 191 ? 16.831  -23.476 1.362   1.000 21.277 0 191 VAL A CA  1 ? 
ATOM   1478 C C   . VAL A 1 191 ? 17.924  -22.421 1.336   1.000 21.948 0 191 VAL A C   1 ? 
ATOM   1479 O O   . VAL A 1 191 ? 17.713  -21.250 0.947   1.000 22.145 0 191 VAL A O   1 ? 
ATOM   1480 C CB  . VAL A 1 191 ? 16.588  -24.014 -0.053  1.000 23.858 0 191 VAL A CB  1 ? 
ATOM   1481 C CG1 . VAL A 1 191 ? 17.874  -24.514 -0.700  1.000 26.747 0 191 VAL A CG1 1 ? 
ATOM   1482 C CG2 . VAL A 1 191 ? 15.522  -25.084 -0.050  1.000 26.030 0 191 VAL A CG2 1 ? 
ATOM   1483 N N   . THR A 1 192 ? 19.124  -22.857 1.759   1.000 22.615 0 192 THR A N   1 ? 
ATOM   1484 C CA  . THR A 1 192 ? 20.262  -21.973 1.782   1.000 23.498 0 192 THR A CA  1 ? 
ATOM   1485 C C   . THR A 1 192 ? 21.102  -22.326 0.568   1.000 22.005 0 192 THR A C   1 ? 
ATOM   1486 O O   . THR A 1 192 ? 21.447  -23.500 0.377   1.000 27.353 0 192 THR A O   1 ? 
ATOM   1487 C CB  . THR A 1 192 ? 21.072  -22.136 3.071   1.000 25.651 0 192 THR A CB  1 ? 
ATOM   1488 O OG1 . THR A 1 192 ? 20.245  -21.858 4.198   1.000 28.545 0 192 THR A OG1 1 ? 
ATOM   1489 C CG2 . THR A 1 192 ? 22.224  -21.157 3.078   1.000 28.742 0 192 THR A CG2 1 ? 
ATOM   1490 N N   . CYS A 1 193 ? 21.346  -21.322 -0.265  1.000 22.336 0 193 CYS A N   1 ? 
ATOM   1491 C CA  . CYS A 1 193 ? 22.168  -21.481 -1.454  1.000 23.172 0 193 CYS A CA  1 ? 
ATOM   1492 C C   . CYS A 1 193 ? 23.402  -20.599 -1.341  1.000 21.786 0 193 CYS A C   1 ? 
ATOM   1493 O O   . CYS A 1 193 ? 23.423  -19.600 -0.596  1.000 24.351 0 193 CYS A O   1 ? 
ATOM   1494 C CB  . CYS A 1 193 ? 21.436  -21.046 -2.713  1.000 23.830 0 193 CYS A CB  1 ? 
ATOM   1495 S SG  . CYS A 1 193 ? 20.055  -22.119 -3.135  1.000 25.197 0 193 CYS A SG  1 ? 
ATOM   1496 N N   . PRO A 1 194 ? 24.457  -20.888 -2.134  1.000 24.916 0 194 PRO A N   1 ? 
ATOM   1497 C CA  . PRO A 1 194 ? 25.594  -19.969 -2.184  1.000 26.071 0 194 PRO A CA  1 ? 
ATOM   1498 C C   . PRO A 1 194 ? 25.120  -18.574 -2.533  1.000 25.145 0 194 PRO A C   1 ? 
ATOM   1499 O O   . PRO A 1 194 ? 24.257  -18.411 -3.393  1.000 24.841 0 194 PRO A O   1 ? 
ATOM   1500 C CB  . PRO A 1 194 ? 26.438  -20.582 -3.299  1.000 28.756 0 194 PRO A CB  1 ? 
ATOM   1501 C CG  . PRO A 1 194 ? 26.146  -22.051 -3.209  1.000 26.868 0 194 PRO A CG  1 ? 
ATOM   1502 C CD  . PRO A 1 194 ? 24.637  -22.107 -2.932  1.000 27.890 0 194 PRO A CD  1 ? 
ATOM   1503 N N   . GLY A 1 195 ? 25.755  -17.564 -1.932  1.000 22.616 0 195 GLY A N   1 ? 
ATOM   1504 C CA  . GLY A 1 195 ? 25.608  -16.193 -2.355  1.000 22.084 0 195 GLY A CA  1 ? 
ATOM   1505 C C   . GLY A 1 195 ? 25.829  -16.043 -3.850  1.000 24.701 0 195 GLY A C   1 ? 
ATOM   1506 O O   . GLY A 1 195 ? 26.729  -16.683 -4.399  1.000 27.430 0 195 GLY A O   1 ? 
ATOM   1507 N N   . SER A 1 196 ? 24.958  -15.239 -4.477  1.000 22.059 0 196 SER A N   1 ? 
ATOM   1508 C CA  . SER A 1 196 ? 25.061  -14.885 -5.886  1.000 23.207 0 196 SER A CA  1 ? 
ATOM   1509 C C   . SER A 1 196 ? 24.734  -16.055 -6.799  1.000 25.637 0 196 SER A C   1 ? 
ATOM   1510 O O   . SER A 1 196 ? 25.243  -16.117 -7.921  1.000 25.219 0 196 SER A O   1 ? 
ATOM   1511 C CB  . SER A 1 196 ? 26.447  -14.351 -6.232  1.000 25.505 0 196 SER A CB  1 ? 
ATOM   1512 O OG  . SER A 1 196 ? 26.582  -13.086 -5.609  1.000 28.022 0 196 SER A OG  1 ? 
ATOM   1513 N N   . SER A 1 197 ? 23.880  -16.980 -6.352  1.000 24.637 0 197 SER A N   1 ? 
ATOM   1514 C CA  . SER A 1 197 ? 23.352  -18.019 -7.225  1.000 22.189 0 197 SER A CA  1 ? 
ATOM   1515 C C   . SER A 1 197 ? 22.385  -17.415 -8.230  1.000 18.519 0 197 SER A C   1 ? 
ATOM   1516 O O   . SER A 1 197 ? 21.963  -16.293 -8.082  1.000 21.203 0 197 SER A O   1 ? 
ATOM   1517 C CB  . SER A 1 197 ? 22.656  -19.090 -6.444  1.000 21.424 0 197 SER A CB  1 ? 
ATOM   1518 O OG  . SER A 1 197 ? 23.505  -19.775 -5.538  1.000 23.580 0 197 SER A OG  1 ? 
ATOM   1519 N N   . ASN A 1 198 ? 22.055  -18.172 -9.280  1.000 20.113 0 198 ASN A N   1 ? 
ATOM   1520 C CA  . ASN A 1 198 ? 21.033  -17.800 -10.243 1.000 19.198 0 198 ASN A CA  1 ? 
ATOM   1521 C C   . ASN A 1 198 ? 19.921  -18.837 -10.190 1.000 16.384 0 198 ASN A C   1 ? 
ATOM   1522 O O   . ASN A 1 198 ? 20.106  -19.915 -9.680  1.000 18.787 0 198 ASN A O   1 ? 
ATOM   1523 C CB  . ASN A 1 198 ? 21.588  -17.715 -11.659 1.000 20.121 0 198 ASN A CB  1 ? 
ATOM   1524 C CG  . ASN A 1 198 ? 22.615  -16.624 -11.798 1.000 23.245 0 198 ASN A CG  1 ? 
ATOM   1525 O OD1 . ASN A 1 198 ? 22.464  -15.503 -11.308 1.000 24.213 0 198 ASN A OD1 1 ? 
ATOM   1526 N ND2 . ASN A 1 198 ? 23.665  -16.961 -12.543 1.000 31.782 0 198 ASN A ND2 1 ? 
ATOM   1527 N N   . TYR A 1 199 ? 18.719  -18.466 -10.700 1.000 19.017 0 199 TYR A N   1 ? 
ATOM   1528 C CA  . TYR A 1 199 ? 17.532  -19.264 -10.437 1.000 18.135 0 199 TYR A CA  1 ? 
ATOM   1529 C C   . TYR A 1 199 ? 16.585  -19.321 -11.631 1.000 15.360 0 199 TYR A C   1 ? 
ATOM   1530 O O   . TYR A 1 199 ? 16.614  -18.478 -12.499 1.000 17.016 0 199 TYR A O   1 ? 
ATOM   1531 C CB  . TYR A 1 199 ? 16.751  -18.646 -9.262  1.000 18.526 0 199 TYR A CB  1 ? 
ATOM   1532 C CG  . TYR A 1 199 ? 17.571  -18.549 -7.981  1.000 18.060 0 199 TYR A CG  1 ? 
ATOM   1533 C CD1 . TYR A 1 199 ? 17.727  -19.645 -7.150  1.000 19.005 0 199 TYR A CD1 1 ? 
ATOM   1534 C CD2 . TYR A 1 199 ? 18.281  -17.384 -7.699  1.000 20.359 0 199 TYR A CD2 1 ? 
ATOM   1535 C CE1 . TYR A 1 199 ? 18.475  -19.550 -5.976  1.000 18.058 0 199 TYR A CE1 1 ? 
ATOM   1536 C CE2 . TYR A 1 199 ? 19.065  -17.306 -6.556  1.000 19.123 0 199 TYR A CE2 1 ? 
ATOM   1537 C CZ  . TYR A 1 199 ? 19.154  -18.386 -5.712  1.000 18.659 0 199 TYR A CZ  1 ? 
ATOM   1538 O OH  . TYR A 1 199 ? 19.925  -18.412 -4.551  1.000 21.736 0 199 TYR A OH  1 ? 
ATOM   1539 N N   . ARG A 1 200 ? 15.672  -20.307 -11.598 1.000 17.815 0 200 ARG A N   1 ? 
ATOM   1540 C CA  . ARG A 1 200 ? 14.573  -20.390 -12.533 1.000 15.665 0 200 ARG A CA  1 ? 
ATOM   1541 C C   . ARG A 1 200 ? 13.298  -20.613 -11.717 1.000 16.393 0 200 ARG A C   1 ? 
ATOM   1542 O O   . ARG A 1 200 ? 13.314  -21.495 -10.860 1.000 18.398 0 200 ARG A O   1 ? 
ATOM   1543 C CB  . ARG A 1 200 ? 14.787  -21.555 -13.493 1.000 18.330 0 200 ARG A CB  1 ? 
ATOM   1544 C CG  . ARG A 1 200 ? 13.656  -21.761 -14.485 1.000 17.954 0 200 ARG A CG  1 ? 
ATOM   1545 C CD  . ARG A 1 200 ? 13.904  -22.892 -15.456 1.000 21.268 0 200 ARG A CD  1 ? 
ATOM   1546 N NE  . ARG A 1 200 ? 14.983  -22.463 -16.347 1.000 22.934 0 200 ARG A NE  1 ? 
ATOM   1547 C CZ  . ARG A 1 200 ? 16.128  -23.085 -16.515 1.000 28.884 0 200 ARG A CZ  1 ? 
ATOM   1548 N NH1 . ARG A 1 200 ? 16.471  -24.123 -15.799 1.000 30.625 0 200 ARG A NH1 1 ? 
ATOM   1549 N NH2 . ARG A 1 200 ? 16.954  -22.639 -17.446 1.000 29.973 0 200 ARG A NH2 1 ? 
ATOM   1550 N N   . VAL A 1 201 ? 12.281  -19.846 -12.053 1.000 15.684 0 201 VAL A N   1 ? 
ATOM   1551 C CA  . VAL A 1 201 ? 10.950  -20.093 -11.527 1.000 16.095 0 201 VAL A CA  1 ? 
ATOM   1552 C C   . VAL A 1 201 ? 10.105  -20.608 -12.667 1.000 14.172 0 201 VAL A C   1 ? 
ATOM   1553 O O   . VAL A 1 201 ? 9.994   -19.926 -13.674 1.000 16.807 0 201 VAL A O   1 ? 
ATOM   1554 C CB  . VAL A 1 201 ? 10.362  -18.790 -10.975 1.000 17.396 0 201 VAL A CB  1 ? 
ATOM   1555 C CG1 . VAL A 1 201 ? 8.923   -19.016 -10.547 1.000 20.233 0 201 VAL A CG1 1 ? 
ATOM   1556 C CG2 . VAL A 1 201 ? 11.214  -18.243 -9.831  1.000 17.693 0 201 VAL A CG2 1 ? 
ATOM   1557 N N   . THR A 1 202 ? 9.543   -21.793 -12.487 1.000 15.082 0 202 THR A N   1 ? 
ATOM   1558 C CA  . THR A 1 202 ? 8.703   -22.418 -13.501 1.000 15.012 0 202 THR A CA  1 ? 
ATOM   1559 C C   . THR A 1 202 ? 7.272   -22.534 -12.988 1.000 15.795 0 202 THR A C   1 ? 
ATOM   1560 O O   . THR A 1 202 ? 7.044   -23.218 -11.980 1.000 17.232 0 202 THR A O   1 ? 
ATOM   1561 C CB  . THR A 1 202 ? 9.201   -23.809 -13.860 1.000 17.434 0 202 THR A CB  1 ? 
ATOM   1562 O OG1 . THR A 1 202 ? 10.595  -23.757 -14.209 1.000 18.547 0 202 THR A OG1 1 ? 
ATOM   1563 C CG2 . THR A 1 202 ? 8.418   -24.442 -14.990 1.000 18.319 0 202 THR A CG2 1 ? 
ATOM   1564 N N   . PHE A 1 203 ? 6.353   -21.918 -13.697 1.000 14.520 0 203 PHE A N   1 ? 
ATOM   1565 C CA  . PHE A 1 203 ? 4.933   -22.078 -13.416 1.000 14.186 0 203 PHE A CA  1 ? 
ATOM   1566 C C   . PHE A 1 203 ? 4.435   -23.335 -14.110 1.000 16.272 0 203 PHE A C   1 ? 
ATOM   1567 O O   . PHE A 1 203 ? 4.837   -23.619 -15.249 1.000 17.392 0 203 PHE A O   1 ? 
ATOM   1568 C CB  . PHE A 1 203 ? 4.159   -20.862 -13.883 1.000 15.078 0 203 PHE A CB  1 ? 
ATOM   1569 C CG  . PHE A 1 203 ? 4.611   -19.553 -13.303 1.000 16.675 0 203 PHE A CG  1 ? 
ATOM   1570 C CD1 . PHE A 1 203 ? 4.639   -19.364 -11.939 1.000 18.817 0 203 PHE A CD1 1 ? 
ATOM   1571 C CD2 . PHE A 1 203 ? 5.037   -18.523 -14.134 1.000 18.497 0 203 PHE A CD2 1 ? 
ATOM   1572 C CE1 . PHE A 1 203 ? 5.079   -18.148 -11.428 1.000 18.663 0 203 PHE A CE1 1 ? 
ATOM   1573 C CE2 . PHE A 1 203 ? 5.407   -17.309 -13.591 1.000 18.686 0 203 PHE A CE2 1 ? 
ATOM   1574 C CZ  . PHE A 1 203 ? 5.472   -17.161 -12.255 1.000 17.879 0 203 PHE A CZ  1 ? 
ATOM   1575 N N   . CYS A 1 204 ? 3.590   -24.118 -13.431 1.000 15.743 0 204 CYS A N   1 ? 
ATOM   1576 C CA  . CYS A 1 204 ? 3.083   -25.402 -13.921 1.000 15.528 0 204 CYS A CA  1 ? 
ATOM   1577 C C   . CYS A 1 204 ? 4.218   -26.337 -14.313 1.000 16.985 0 204 CYS A C   1 ? 
ATOM   1578 O O   . CYS A 1 204 ? 4.313   -26.793 -15.462 1.000 17.295 0 204 CYS A O   1 ? 
ATOM   1579 C CB  . CYS A 1 204 ? 2.090   -25.229 -15.063 1.000 16.648 0 204 CYS A CB  1 ? 
ATOM   1580 S SG  . CYS A 1 204 ? 0.677   -24.191 -14.648 1.000 17.664 0 204 CYS A SG  1 ? 
ATOM   1581 N N   . PRO A 1 205 ? 5.104   -26.700 -13.381 1.000 16.594 0 205 PRO A N   1 ? 
ATOM   1582 C CA  . PRO A 1 205 ? 6.276   -27.506 -13.700 1.000 19.638 0 205 PRO A CA  1 ? 
ATOM   1583 C C   . PRO A 1 205 ? 5.973   -28.904 -14.217 1.000 23.077 0 205 PRO A C   1 ? 
ATOM   1584 O O   . PRO A 1 205 ? 6.763   -29.436 -14.987 1.000 24.477 0 205 PRO A O   1 ? 
ATOM   1585 C CB  . PRO A 1 205 ? 7.093   -27.568 -12.424 1.000 20.544 0 205 PRO A CB  1 ? 
ATOM   1586 C CG  . PRO A 1 205 ? 6.101   -27.304 -11.353 1.000 19.417 0 205 PRO A CG  1 ? 
ATOM   1587 C CD  . PRO A 1 205 ? 5.077   -26.314 -11.947 1.000 16.794 0 205 PRO A CD  1 ? 
ATOM   1588 N N   . THR A 1 206 ? 4.850   -29.472 -13.795 1.000 22.770 0 206 THR A N   1 ? 
ATOM   1589 C CA  . THR A 1 206 ? 4.488   -30.833 -14.187 1.000 32.344 0 206 THR A CA  1 ? 
ATOM   1590 C C   . THR A 1 206 ? 3.289   -30.760 -15.097 1.000 41.758 0 206 THR A C   1 ? 
ATOM   1591 O O   . THR A 1 206 ? 3.515   -31.054 -16.268 1.000 54.692 0 206 THR A O   1 ? 
ATOM   1592 C CB  . THR A 1 206 ? 4.194   -31.677 -12.948 1.000 37.802 0 206 THR A CB  1 ? 
ATOM   1593 O OG1 . THR A 1 206 ? 3.160   -31.000 -12.250 1.000 41.084 0 206 THR A OG1 1 ? 
ATOM   1594 C CG2 . THR A 1 206 ? 5.372   -31.776 -11.997 1.000 41.349 0 206 THR A CG2 1 ? 
HETATM 1595 O O1  . TLA B 2 .   ? 10.618  -12.537 -26.594 1.000 25.944 0 301 TLA A O1  1 ? 
HETATM 1596 O O11 . TLA B 2 .   ? 10.873  -12.336 -24.423 1.000 26.375 0 301 TLA A O11 1 ? 
HETATM 1597 C C1  . TLA B 2 .   ? 10.467  -12.923 -25.427 1.000 25.114 0 301 TLA A C1  1 ? 
HETATM 1598 C C2  . TLA B 2 .   ? 9.774   -14.275 -25.215 1.000 22.501 0 301 TLA A C2  1 ? 
HETATM 1599 O O2  . TLA B 2 .   ? 9.472   -14.519 -23.833 1.000 20.528 0 301 TLA A O2  1 ? 
HETATM 1600 C C3  . TLA B 2 .   ? 10.710  -15.365 -25.730 1.000 18.996 0 301 TLA A C3  1 ? 
HETATM 1601 O O3  . TLA B 2 .   ? 11.923  -15.334 -25.014 1.000 21.072 0 301 TLA A O3  1 ? 
HETATM 1602 C C4  . TLA B 2 .   ? 10.011  -16.721 -25.591 1.000 17.605 0 301 TLA A C4  1 ? 
HETATM 1603 O O4  . TLA B 2 .   ? 10.458  -17.482 -24.702 1.000 17.824 0 301 TLA A O4  1 ? 
HETATM 1604 O O41 . TLA B 2 .   ? 9.066   -16.929 -26.349 1.000 18.713 0 301 TLA A O41 1 ? 
HETATM 1605 O O   . HOH C 3 .   ? -6.574  -31.354 9.414   1.000 50.341 0 401 HOH A O   1 ? 
HETATM 1606 O O   . HOH C 3 .   ? -5.752  -7.285  7.167   1.000 45.611 0 402 HOH A O   1 ? 
HETATM 1607 O O   . HOH C 3 .   ? 4.578   -0.069  -1.020  1.000 50.878 0 403 HOH A O   1 ? 
HETATM 1608 O O   . HOH C 3 .   ? -8.043  -16.615 -12.429 1.000 30.459 0 404 HOH A O   1 ? 
HETATM 1609 O O   . HOH C 3 .   ? 10.019  -29.444 -3.066  1.000 35.331 0 405 HOH A O   1 ? 
HETATM 1610 O O   . HOH C 3 .   ? 8.036   -27.388 7.513   1.000 31.671 0 406 HOH A O   1 ? 
HETATM 1611 O O   . HOH C 3 .   ? -2.892  -24.839 -13.067 1.000 31.316 0 407 HOH A O   1 ? 
HETATM 1612 O O   . HOH C 3 .   ? 23.527  -15.626 6.173   1.000 40.650 0 408 HOH A O   1 ? 
HETATM 1613 O O   . HOH C 3 .   ? 25.146  -21.363 -6.979  1.000 35.603 0 409 HOH A O   1 ? 
HETATM 1614 O O   . HOH C 3 .   ? 1.893   -34.968 2.402   1.000 47.626 0 410 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? -11.901 -25.321 10.263  1.000 24.586 0 411 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? 20.588  -6.570  1.904   1.000 41.714 0 412 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? 21.261  -25.993 1.064   1.000 47.124 0 413 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? 17.222  -7.350  -17.187 1.000 47.183 0 414 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? 3.907   -27.750 10.072  1.000 40.943 0 415 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? 12.432  -28.839 -7.446  1.000 42.374 0 416 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? -4.453  -10.259 5.834   1.000 45.234 0 417 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? 15.238  -28.640 -8.745  1.000 45.679 0 418 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? 21.780  -14.462 -6.010  1.000 23.863 0 419 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? 7.327   -15.536 -27.963 1.000 20.457 0 420 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? -6.693  -0.491  -12.938 1.000 36.902 0 421 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? 6.873   -16.869 8.256   1.000 44.768 0 422 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? 7.019   -5.356  -18.931 1.000 31.988 0 423 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? 19.724  -10.881 6.689   1.000 53.725 0 424 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? 10.230  -23.651 0.598   1.000 20.940 0 425 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? -15.528 -19.378 -0.985  1.000 54.423 0 426 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? -2.726  -23.585 -24.660 1.000 40.091 0 427 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? 0.200   -26.553 8.828   1.000 20.388 0 428 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? -1.831  -20.974 4.334   1.000 24.062 0 429 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? -1.787  -27.294 -9.349  1.000 40.918 0 430 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? 15.775  -4.677  -10.672 1.000 49.842 0 431 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? -16.255 -20.869 9.315   1.000 29.926 0 432 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? 10.714  -20.008 -23.747 1.000 16.614 0 433 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? -3.315  -27.051 16.164  1.000 22.927 0 434 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? 17.785  -22.762 4.860   1.000 47.340 0 435 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? 12.300  -23.998 -11.963 1.000 20.326 0 436 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? -9.412  -14.599 -7.034  1.000 34.598 0 437 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? 7.485   -24.424 5.955   1.000 37.739 0 438 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? 5.115   -19.809 -26.676 1.000 21.574 0 439 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? 5.480   0.196   -12.180 1.000 48.454 0 440 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? 16.908  -5.507  -8.466  1.000 47.149 0 441 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? 15.021  -24.489 6.454   1.000 43.687 0 442 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 16.951  -20.606 -21.400 1.000 22.660 0 443 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? 0.903   -11.842 -2.511  1.000 26.150 0 444 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? 3.340   -22.974 15.714  1.000 33.953 0 445 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? 11.766  -25.958 -15.349 1.000 43.018 0 446 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? 12.086  -5.660  0.632   1.000 43.649 0 447 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? -1.011  -7.960  -21.265 1.000 33.609 0 448 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? -3.446  -12.417 4.337   1.000 42.363 0 449 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? 11.473  -9.656  -24.581 1.000 45.732 0 450 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? -7.165  -11.875 -5.908  1.000 25.406 0 451 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? -5.164  -16.505 18.736  1.000 24.520 0 452 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? 2.266   -0.919  -15.548 1.000 30.507 0 453 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? -4.271  -26.380 -8.641  1.000 25.389 0 454 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? 22.895  -11.879 -6.159  1.000 23.998 0 455 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 1.509   -17.549 -0.579  1.000 15.572 0 456 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? 24.623  -7.830  0.795   1.000 39.393 0 457 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? -7.227  -12.410 -19.570 1.000 33.652 0 458 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? -3.479  -21.139 9.865   1.000 18.860 0 459 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? 19.967  -27.789 -0.519  1.000 40.662 0 460 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? 10.553  -1.159  -13.376 1.000 48.770 0 461 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? 3.840   -12.213 -24.254 1.000 32.381 0 462 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? -6.743  -30.343 7.183   1.000 25.752 0 463 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 10.581  -12.483 0.211   1.000 24.829 0 464 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? -1.816  -6.227  -11.469 1.000 20.766 0 465 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? 29.134  -17.064 -2.987  1.000 44.425 0 466 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? -0.791  -31.566 7.134   1.000 30.726 0 467 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? 9.119   -32.797 1.735   1.000 59.360 0 468 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? 17.270  -25.783 -12.303 1.000 38.253 0 469 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? -12.622 -28.622 -3.566  1.000 39.210 0 470 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? 13.422  -13.910 -23.073 1.000 50.296 0 471 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? -13.962 -25.526 6.844   1.000 40.698 0 472 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? -1.303  1.339   -8.495  1.000 44.712 0 473 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? -3.965  -23.882 -10.357 1.000 36.292 0 474 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? 4.820   -30.465 -5.223  1.000 32.497 0 475 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? -11.531 -27.796 5.871   1.000 45.958 0 476 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? 3.047   -32.581 4.960   1.000 38.269 0 477 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? 19.378  -25.475 2.844   1.000 38.779 0 478 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? 3.970   -31.506 -3.171  1.000 47.961 0 479 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? 2.058   -2.182  -8.097  1.000 27.845 0 480 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? 9.371   -8.990  1.609   1.000 41.118 0 481 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? -0.779  -18.727 -23.782 1.000 26.895 0 482 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? 12.852  -13.566 1.705   1.000 33.201 0 483 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? 14.695  -16.579 -21.281 1.000 39.425 0 484 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? -1.561  -18.133 6.149   1.000 30.191 0 485 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? -4.337  -23.296 15.984  1.000 20.038 0 486 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? -13.661 -14.477 11.452  1.000 35.902 0 487 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? 29.212  -13.142 -4.438  1.000 44.493 0 488 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? 28.272  -18.428 -6.094  1.000 53.826 0 489 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? 0.814   -33.745 -2.887  1.000 41.564 0 490 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? 16.575  -4.486  -5.171  1.000 51.310 0 491 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? -1.923  -20.244 12.118  1.000 18.149 0 492 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? -11.186 -21.361 -6.916  1.000 37.386 0 493 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? -7.058  -3.236  -10.442 1.000 39.959 0 494 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? 12.559  -0.484  -9.076  1.000 50.324 0 495 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? 26.764  -11.173 1.453   1.000 27.217 0 496 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? 0.887   -7.563  15.346  1.000 43.387 0 497 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -9.986  -30.201 1.281   1.000 39.712 0 498 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? 2.989   -10.716 -3.973  1.000 23.805 0 499 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? -4.146  -4.956  -5.635  1.000 39.716 0 500 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? 23.201  -8.881  -15.815 1.000 55.954 0 501 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? 18.988  -18.202 -14.186 1.000 29.237 0 502 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? 3.584   -4.187  -1.117  1.000 29.533 0 503 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? 3.802   -7.828  -21.256 1.000 24.897 0 504 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? 2.216   -25.600 2.247   1.000 17.866 0 505 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? -12.005 -16.240 -15.469 1.000 45.137 0 506 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? 2.294   -28.204 -12.580 1.000 29.938 0 507 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? 24.385  -23.785 0.476   1.000 48.746 0 508 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? -6.195  -10.147 -7.925  1.000 21.851 0 509 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? -10.715 -31.754 7.478   1.000 40.913 0 510 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? 22.171  -22.456 6.374   1.000 56.047 0 511 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? 27.235  -12.889 -1.053  1.000 39.456 0 512 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? 0.253   -30.260 12.133  1.000 47.791 0 513 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? 3.211   -19.921 19.204  1.000 53.274 0 514 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? 2.514   -28.132 -17.426 1.000 41.086 0 515 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? -2.702  -33.108 -6.331  1.000 37.230 0 516 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? 11.442  -28.741 -15.023 1.000 48.346 0 517 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? -11.329 -14.331 -2.646  1.000 42.596 0 518 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? -12.708 -17.761 0.245   1.000 30.907 0 519 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? -9.719  -10.273 14.628  1.000 27.668 0 520 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? -4.878  -18.053 -21.528 1.000 31.629 0 521 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? -1.559  -10.468 -25.943 1.000 49.825 0 522 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? -5.644  -34.953 -1.852  1.000 49.861 0 523 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? -3.086  -15.394 20.115  1.000 45.038 0 524 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? -14.452 -28.930 1.240   1.000 48.326 0 525 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? -9.163  -27.640 5.617   1.000 38.948 0 526 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? 8.371   -13.587 3.928   1.000 52.861 0 527 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? -6.393  -18.489 -16.407 1.000 33.812 0 528 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? 14.479  -25.361 -13.266 1.000 33.995 0 529 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? 4.762   -9.700  -23.525 1.000 50.792 0 530 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? -5.764  -15.982 -19.711 1.000 40.482 0 531 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? 3.794   -13.046 2.576   1.000 45.412 0 532 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? 2.318   -12.942 6.508   1.000 54.293 0 533 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? -3.100  -35.863 -2.523  1.000 48.717 0 534 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? 2.761   -10.888 -0.512  1.000 41.256 0 535 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? -17.632 -25.899 4.364   1.000 52.400 0 536 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? 5.503   -5.566  -21.288 1.000 39.846 0 537 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? -6.749  -23.842 -11.322 1.000 48.196 0 538 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? 1.367   -28.558 10.148  1.000 36.552 0 539 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? 5.060   -34.199 -1.861  1.000 48.629 0 540 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? 0.990   -30.991 8.849   1.000 49.515 0 541 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? -14.365 -19.882 -13.365 1.000 55.726 0 542 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? 2.397   -29.393 13.302  1.000 61.924 0 543 HOH A O   1 ? 
# 
