data_9EQX
# 
_entry.id   9EQX 
# 
_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   9EQX         pdb_00009eqx 10.2210/pdb9eqx/pdb 
WWPDB D_1292137443 ?            ?                   
# 
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                        9EQX 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
5 robin.owen@diamond.ac.uk    Robin   Owen  ? 'principal investigator/group leader' 0000-0002-2104-7057 
6 Michael.Hough@diamond.ac.uk Michael Hough ? 'principal investigator/group leader' 0000-0001-7377-6713 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Owen, R.L.'   1 ? 
'Hough, M.A.'  2 ? 
'Worrall, J.'  3 ? 
'Williams, L.' 4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Iucrj 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            12 
_citation.language                  ? 
_citation.page_first                358 
_citation.page_last                 371 
_citation.title                     
'Damage before destruction? X-ray-induced changes in single-pulse serial femtosecond crystallography.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1107/S2052252525002660 
_citation.pdbx_database_id_PubMed   40227256 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Williams, L.J.'     1  ? 
primary 'Thompson, A.J.'     2  ? 
primary 'Dijkstal, P.'       3  ? 
primary 'Appleby, M.'        4  ? 
primary 'Assmann, G.'        5  ? 
primary 'Dworkowski, F.S.N.' 6  ? 
primary 'Hiller, N.'         7  ? 
primary 'Huang, C.Y.'        8  ? 
primary 'Mason, T.'          9  ? 
primary 'Perrett, S.'        10 ? 
primary 'Prat, E.'           11 ? 
primary 'Voulot, D.'         12 ? 
primary 'Pedrini, B.'        13 ? 
primary 'Beale, J.H.'        14 ? 
primary 'Hough, M.A.'        15 ? 
primary 'Worrall, J.A.R.'    16 ? 
primary 'Owen, R.L.'         17 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     nat 'Thaumatin I'        22228.043 1   ? ? ? ? 
2 non-polymer syn 'L(+)-TARTARIC ACID' 150.087   1   ? ? ? ? 
3 water       nat water                18.015    184 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        Thaumatin-1 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'L(+)-TARTARIC ACID' TLA 
3 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   THR n 
1 3   PHE n 
1 4   GLU n 
1 5   ILE n 
1 6   VAL n 
1 7   ASN n 
1 8   ARG n 
1 9   CYS n 
1 10  SER n 
1 11  TYR n 
1 12  THR n 
1 13  VAL n 
1 14  TRP n 
1 15  ALA n 
1 16  ALA n 
1 17  ALA n 
1 18  SER n 
1 19  LYS n 
1 20  GLY n 
1 21  ASP n 
1 22  ALA n 
1 23  ALA n 
1 24  LEU n 
1 25  ASP n 
1 26  ALA n 
1 27  GLY n 
1 28  GLY n 
1 29  ARG n 
1 30  GLN n 
1 31  LEU n 
1 32  ASN n 
1 33  SER n 
1 34  GLY n 
1 35  GLU n 
1 36  SER n 
1 37  TRP n 
1 38  THR n 
1 39  ILE n 
1 40  ASN n 
1 41  VAL n 
1 42  GLU n 
1 43  PRO n 
1 44  GLY n 
1 45  THR n 
1 46  ASN n 
1 47  GLY n 
1 48  GLY n 
1 49  LYS n 
1 50  ILE n 
1 51  TRP n 
1 52  ALA n 
1 53  ARG n 
1 54  THR n 
1 55  ASP n 
1 56  CYS n 
1 57  TYR n 
1 58  PHE n 
1 59  ASP n 
1 60  ASP n 
1 61  SER n 
1 62  GLY n 
1 63  SER n 
1 64  GLY n 
1 65  ILE n 
1 66  CYS n 
1 67  LYS n 
1 68  THR n 
1 69  GLY n 
1 70  ASP n 
1 71  CYS n 
1 72  GLY n 
1 73  GLY n 
1 74  LEU n 
1 75  LEU n 
1 76  ARG n 
1 77  CYS n 
1 78  LYS n 
1 79  ARG n 
1 80  PHE n 
1 81  GLY n 
1 82  ARG n 
1 83  PRO n 
1 84  PRO n 
1 85  THR n 
1 86  THR n 
1 87  LEU n 
1 88  ALA n 
1 89  GLU n 
1 90  PHE n 
1 91  SER n 
1 92  LEU n 
1 93  ASN n 
1 94  GLN n 
1 95  TYR n 
1 96  GLY n 
1 97  LYS n 
1 98  ASP n 
1 99  TYR n 
1 100 ILE n 
1 101 ASP n 
1 102 ILE n 
1 103 SER n 
1 104 ASN n 
1 105 ILE n 
1 106 LYS n 
1 107 GLY n 
1 108 PHE n 
1 109 ASN n 
1 110 VAL n 
1 111 PRO n 
1 112 MET n 
1 113 ASP n 
1 114 PHE n 
1 115 SER n 
1 116 PRO n 
1 117 THR n 
1 118 THR n 
1 119 ARG n 
1 120 GLY n 
1 121 CYS n 
1 122 ARG n 
1 123 GLY n 
1 124 VAL n 
1 125 ARG n 
1 126 CYS n 
1 127 ALA n 
1 128 ALA n 
1 129 ASP n 
1 130 ILE n 
1 131 VAL n 
1 132 GLY n 
1 133 GLN n 
1 134 CYS n 
1 135 PRO n 
1 136 ALA n 
1 137 LYS n 
1 138 LEU n 
1 139 LYS n 
1 140 ALA n 
1 141 PRO n 
1 142 GLY n 
1 143 GLY n 
1 144 GLY n 
1 145 CYS n 
1 146 ASN n 
1 147 ASP n 
1 148 ALA n 
1 149 CYS n 
1 150 THR n 
1 151 VAL n 
1 152 PHE n 
1 153 GLN n 
1 154 THR n 
1 155 SER n 
1 156 GLU n 
1 157 TYR n 
1 158 CYS n 
1 159 CYS n 
1 160 THR n 
1 161 THR n 
1 162 GLY n 
1 163 LYS n 
1 164 CYS n 
1 165 GLY n 
1 166 PRO n 
1 167 THR n 
1 168 GLU n 
1 169 TYR n 
1 170 SER n 
1 171 ARG n 
1 172 PHE n 
1 173 PHE n 
1 174 LYS n 
1 175 ARG n 
1 176 LEU n 
1 177 CYS n 
1 178 PRO n 
1 179 ASP n 
1 180 ALA n 
1 181 PHE n 
1 182 SER n 
1 183 TYR n 
1 184 VAL n 
1 185 LEU n 
1 186 ASP n 
1 187 LYS n 
1 188 PRO n 
1 189 THR n 
1 190 THR n 
1 191 VAL n 
1 192 THR n 
1 193 CYS n 
1 194 PRO n 
1 195 GLY n 
1 196 SER n 
1 197 SER n 
1 198 ASN n 
1 199 TYR n 
1 200 ARG n 
1 201 VAL n 
1 202 THR n 
1 203 PHE n 
1 204 CYS n 
1 205 PRO n 
1 206 THR n 
1 207 ALA n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           207 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Thaumatococcus daniellii' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      4621 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE              ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE             ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE           ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'      ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE             ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE            ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'      ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE              ? 'C2 H5 N O2'     75.067  
HOH non-polymer         . WATER                ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE           ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE              ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE               ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE           ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE        ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE              ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE               ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE            ? 'C4 H9 N O3'     119.119 
TLA non-polymer         . 'L(+)-TARTARIC ACID' ? 'C4 H6 O6'       150.087 
TRP 'L-peptide linking' y TRYPTOPHAN           ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE             ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE               ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ALA 1   1   1   ALA ALA A . n 
A 1 2   THR 2   2   2   THR THR A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLU 4   4   4   GLU GLU A . n 
A 1 5   ILE 5   5   5   ILE ILE A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   ASN 7   7   7   ASN ASN A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   CYS 9   9   9   CYS CYS A . n 
A 1 10  SER 10  10  10  SER SER A . n 
A 1 11  TYR 11  11  11  TYR TYR A . n 
A 1 12  THR 12  12  12  THR THR A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  TRP 14  14  14  TRP TRP A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  ALA 16  16  16  ALA ALA A . n 
A 1 17  ALA 17  17  17  ALA ALA A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  ASP 21  21  21  ASP ASP A . n 
A 1 22  ALA 22  22  22  ALA ALA A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  LEU 24  24  24  LEU LEU A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  GLY 28  28  28  GLY GLY A . n 
A 1 29  ARG 29  29  29  ARG ARG A . n 
A 1 30  GLN 30  30  30  GLN GLN A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  ASN 32  32  32  ASN ASN A . n 
A 1 33  SER 33  33  33  SER SER A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  TRP 37  37  37  TRP TRP A . n 
A 1 38  THR 38  38  38  THR THR A . n 
A 1 39  ILE 39  39  39  ILE ILE A . n 
A 1 40  ASN 40  40  40  ASN ASN A . n 
A 1 41  VAL 41  41  41  VAL VAL A . n 
A 1 42  GLU 42  42  42  GLU GLU A . n 
A 1 43  PRO 43  43  43  PRO PRO A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  THR 45  45  45  THR THR A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLY 47  47  47  GLY GLY A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  LYS 49  49  49  LYS LYS A . n 
A 1 50  ILE 50  50  50  ILE ILE A . n 
A 1 51  TRP 51  51  51  TRP TRP A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  ARG 53  53  53  ARG ARG A . n 
A 1 54  THR 54  54  54  THR THR A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  CYS 56  56  56  CYS CYS A . n 
A 1 57  TYR 57  57  57  TYR TYR A . n 
A 1 58  PHE 58  58  58  PHE PHE A . n 
A 1 59  ASP 59  59  59  ASP ASP A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  SER 61  61  61  SER SER A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  SER 63  63  63  SER SER A . n 
A 1 64  GLY 64  64  64  GLY GLY A . n 
A 1 65  ILE 65  65  65  ILE ILE A . n 
A 1 66  CYS 66  66  66  CYS CYS A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  GLY 69  69  69  GLY GLY A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  CYS 71  71  71  CYS CYS A . n 
A 1 72  GLY 72  72  72  GLY GLY A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  CYS 77  77  77  CYS CYS A . n 
A 1 78  LYS 78  78  78  LYS LYS A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  PHE 80  80  80  PHE PHE A . n 
A 1 81  GLY 81  81  81  GLY GLY A . n 
A 1 82  ARG 82  82  82  ARG ARG A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  PRO 84  84  84  PRO PRO A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  THR 86  86  86  THR THR A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  ALA 88  88  88  ALA ALA A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  PHE 90  90  90  PHE PHE A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  LEU 92  92  92  LEU LEU A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  GLN 94  94  94  GLN GLN A . n 
A 1 95  TYR 95  95  95  TYR TYR A . n 
A 1 96  GLY 96  96  96  GLY GLY A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ASP 98  98  98  ASP ASP A . n 
A 1 99  TYR 99  99  99  TYR TYR A . n 
A 1 100 ILE 100 100 100 ILE ILE A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 ASN 104 104 104 ASN ASN A . n 
A 1 105 ILE 105 105 105 ILE ILE A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 GLY 107 107 107 GLY GLY A . n 
A 1 108 PHE 108 108 108 PHE PHE A . n 
A 1 109 ASN 109 109 109 ASN ASN A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 PRO 111 111 111 PRO PRO A . n 
A 1 112 MET 112 112 112 MET MET A . n 
A 1 113 ASP 113 113 113 ASP ASP A . n 
A 1 114 PHE 114 114 114 PHE PHE A . n 
A 1 115 SER 115 115 115 SER SER A . n 
A 1 116 PRO 116 116 116 PRO PRO A . n 
A 1 117 THR 117 117 117 THR THR A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ARG 119 119 119 ARG ARG A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 CYS 121 121 121 CYS CYS A . n 
A 1 122 ARG 122 122 122 ARG ARG A . n 
A 1 123 GLY 123 123 123 GLY GLY A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 CYS 126 126 126 CYS CYS A . n 
A 1 127 ALA 127 127 127 ALA ALA A . n 
A 1 128 ALA 128 128 128 ALA ALA A . n 
A 1 129 ASP 129 129 129 ASP ASP A . n 
A 1 130 ILE 130 130 130 ILE ILE A . n 
A 1 131 VAL 131 131 131 VAL VAL A . n 
A 1 132 GLY 132 132 132 GLY GLY A . n 
A 1 133 GLN 133 133 133 GLN GLN A . n 
A 1 134 CYS 134 134 134 CYS CYS A . n 
A 1 135 PRO 135 135 135 PRO PRO A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 LYS 137 137 137 LYS LYS A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 GLY 142 142 142 GLY GLY A . n 
A 1 143 GLY 143 143 143 GLY GLY A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 CYS 145 145 145 CYS CYS A . n 
A 1 146 ASN 146 146 146 ASN ASN A . n 
A 1 147 ASP 147 147 147 ASP ASP A . n 
A 1 148 ALA 148 148 148 ALA ALA A . n 
A 1 149 CYS 149 149 149 CYS CYS A . n 
A 1 150 THR 150 150 150 THR THR A . n 
A 1 151 VAL 151 151 151 VAL VAL A . n 
A 1 152 PHE 152 152 152 PHE PHE A . n 
A 1 153 GLN 153 153 153 GLN GLN A . n 
A 1 154 THR 154 154 154 THR THR A . n 
A 1 155 SER 155 155 155 SER SER A . n 
A 1 156 GLU 156 156 156 GLU GLU A . n 
A 1 157 TYR 157 157 157 TYR TYR A . n 
A 1 158 CYS 158 158 158 CYS CYS A . n 
A 1 159 CYS 159 159 159 CYS CYS A . n 
A 1 160 THR 160 160 160 THR THR A . n 
A 1 161 THR 161 161 161 THR THR A . n 
A 1 162 GLY 162 162 162 GLY GLY A . n 
A 1 163 LYS 163 163 163 LYS LYS A . n 
A 1 164 CYS 164 164 164 CYS CYS A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 PRO 166 166 166 PRO PRO A . n 
A 1 167 THR 167 167 167 THR THR A . n 
A 1 168 GLU 168 168 168 GLU GLU A . n 
A 1 169 TYR 169 169 169 TYR TYR A . n 
A 1 170 SER 170 170 170 SER SER A . n 
A 1 171 ARG 171 171 171 ARG ARG A . n 
A 1 172 PHE 172 172 172 PHE PHE A . n 
A 1 173 PHE 173 173 173 PHE PHE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ARG 175 175 175 ARG ARG A . n 
A 1 176 LEU 176 176 176 LEU LEU A . n 
A 1 177 CYS 177 177 177 CYS CYS A . n 
A 1 178 PRO 178 178 178 PRO PRO A . n 
A 1 179 ASP 179 179 179 ASP ASP A . n 
A 1 180 ALA 180 180 180 ALA ALA A . n 
A 1 181 PHE 181 181 181 PHE PHE A . n 
A 1 182 SER 182 182 182 SER SER A . n 
A 1 183 TYR 183 183 183 TYR TYR A . n 
A 1 184 VAL 184 184 184 VAL VAL A . n 
A 1 185 LEU 185 185 185 LEU LEU A . n 
A 1 186 ASP 186 186 186 ASP ASP A . n 
A 1 187 LYS 187 187 187 LYS LYS A . n 
A 1 188 PRO 188 188 188 PRO PRO A . n 
A 1 189 THR 189 189 189 THR THR A . n 
A 1 190 THR 190 190 190 THR THR A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 THR 192 192 192 THR THR A . n 
A 1 193 CYS 193 193 193 CYS CYS A . n 
A 1 194 PRO 194 194 194 PRO PRO A . n 
A 1 195 GLY 195 195 195 GLY GLY A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 SER 197 197 197 SER SER A . n 
A 1 198 ASN 198 198 198 ASN ASN A . n 
A 1 199 TYR 199 199 199 TYR TYR A . n 
A 1 200 ARG 200 200 200 ARG ARG A . n 
A 1 201 VAL 201 201 201 VAL VAL A . n 
A 1 202 THR 202 202 202 THR THR A . n 
A 1 203 PHE 203 203 203 PHE PHE A . n 
A 1 204 CYS 204 204 204 CYS CYS A . n 
A 1 205 PRO 205 205 205 PRO PRO A . n 
A 1 206 THR 206 206 206 THR THR A . n 
A 1 207 ALA 207 207 ?   ?   ?   A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 TLA 1   301 301 TLA TLA A . 
C 3 HOH 1   401 401 HOH HOH A . 
C 3 HOH 2   402 402 HOH HOH A . 
C 3 HOH 3   403 405 HOH HOH A . 
C 3 HOH 4   404 404 HOH HOH A . 
C 3 HOH 5   405 403 HOH HOH A . 
C 3 HOH 6   406 406 HOH HOH A . 
C 3 HOH 7   407 407 HOH HOH A . 
C 3 HOH 8   408 409 HOH HOH A . 
C 3 HOH 9   409 408 HOH HOH A . 
C 3 HOH 10  410 410 HOH HOH A . 
C 3 HOH 11  411 411 HOH HOH A . 
C 3 HOH 12  412 413 HOH HOH A . 
C 3 HOH 13  413 412 HOH HOH A . 
C 3 HOH 14  414 414 HOH HOH A . 
C 3 HOH 15  415 415 HOH HOH A . 
C 3 HOH 16  416 417 HOH HOH A . 
C 3 HOH 17  417 437 HOH HOH A . 
C 3 HOH 18  418 416 HOH HOH A . 
C 3 HOH 19  419 419 HOH HOH A . 
C 3 HOH 20  420 420 HOH HOH A . 
C 3 HOH 21  421 418 HOH HOH A . 
C 3 HOH 22  422 421 HOH HOH A . 
C 3 HOH 23  423 427 HOH HOH A . 
C 3 HOH 24  424 424 HOH HOH A . 
C 3 HOH 25  425 426 HOH HOH A . 
C 3 HOH 26  426 425 HOH HOH A . 
C 3 HOH 27  427 422 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  431 431 HOH HOH A . 
C 3 HOH 32  432 432 HOH HOH A . 
C 3 HOH 33  433 434 HOH HOH A . 
C 3 HOH 34  434 441 HOH HOH A . 
C 3 HOH 35  435 433 HOH HOH A . 
C 3 HOH 36  436 442 HOH HOH A . 
C 3 HOH 37  437 438 HOH HOH A . 
C 3 HOH 38  438 423 HOH HOH A . 
C 3 HOH 39  439 439 HOH HOH A . 
C 3 HOH 40  440 436 HOH HOH A . 
C 3 HOH 41  441 440 HOH HOH A . 
C 3 HOH 42  442 443 HOH HOH A . 
C 3 HOH 43  443 488 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  447 447 HOH HOH A . 
C 3 HOH 48  448 455 HOH HOH A . 
C 3 HOH 49  449 452 HOH HOH A . 
C 3 HOH 50  450 435 HOH HOH A . 
C 3 HOH 51  451 451 HOH HOH A . 
C 3 HOH 52  452 449 HOH HOH A . 
C 3 HOH 53  453 454 HOH HOH A . 
C 3 HOH 54  454 453 HOH HOH A . 
C 3 HOH 55  455 448 HOH HOH A . 
C 3 HOH 56  456 450 HOH HOH A . 
C 3 HOH 57  457 456 HOH HOH A . 
C 3 HOH 58  458 458 HOH HOH A . 
C 3 HOH 59  459 457 HOH HOH A . 
C 3 HOH 60  460 459 HOH HOH A . 
C 3 HOH 61  461 462 HOH HOH A . 
C 3 HOH 62  462 461 HOH HOH A . 
C 3 HOH 63  463 463 HOH HOH A . 
C 3 HOH 64  464 466 HOH HOH A . 
C 3 HOH 65  465 467 HOH HOH A . 
C 3 HOH 66  466 470 HOH HOH A . 
C 3 HOH 67  467 468 HOH HOH A . 
C 3 HOH 68  468 464 HOH HOH A . 
C 3 HOH 69  469 465 HOH HOH A . 
C 3 HOH 70  470 469 HOH HOH A . 
C 3 HOH 71  471 471 HOH HOH A . 
C 3 HOH 72  472 472 HOH HOH A . 
C 3 HOH 73  473 460 HOH HOH A . 
C 3 HOH 74  474 473 HOH HOH A . 
C 3 HOH 75  475 474 HOH HOH A . 
C 3 HOH 76  476 475 HOH HOH A . 
C 3 HOH 77  477 476 HOH HOH A . 
C 3 HOH 78  478 478 HOH HOH A . 
C 3 HOH 79  479 477 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  483 480 HOH HOH A . 
C 3 HOH 84  484 483 HOH HOH A . 
C 3 HOH 85  485 484 HOH HOH A . 
C 3 HOH 86  486 486 HOH HOH A . 
C 3 HOH 87  487 487 HOH HOH A . 
C 3 HOH 88  488 485 HOH HOH A . 
C 3 HOH 89  489 490 HOH HOH A . 
C 3 HOH 90  490 491 HOH HOH A . 
C 3 HOH 91  491 493 HOH HOH A . 
C 3 HOH 92  492 514 HOH HOH A . 
C 3 HOH 93  493 492 HOH HOH A . 
C 3 HOH 94  494 489 HOH HOH A . 
C 3 HOH 95  495 494 HOH HOH A . 
C 3 HOH 96  496 496 HOH HOH A . 
C 3 HOH 97  497 495 HOH HOH A . 
C 3 HOH 98  498 501 HOH HOH A . 
C 3 HOH 99  499 502 HOH HOH A . 
C 3 HOH 100 500 500 HOH HOH A . 
C 3 HOH 101 501 498 HOH HOH A . 
C 3 HOH 102 502 499 HOH HOH A . 
C 3 HOH 103 503 504 HOH HOH A . 
C 3 HOH 104 504 503 HOH HOH A . 
C 3 HOH 105 505 547 HOH HOH A . 
C 3 HOH 106 506 509 HOH HOH A . 
C 3 HOH 107 507 506 HOH HOH A . 
C 3 HOH 108 508 505 HOH HOH A . 
C 3 HOH 109 509 508 HOH HOH A . 
C 3 HOH 110 510 510 HOH HOH A . 
C 3 HOH 111 511 507 HOH HOH A . 
C 3 HOH 112 512 512 HOH HOH A . 
C 3 HOH 113 513 511 HOH HOH A . 
C 3 HOH 114 514 513 HOH HOH A . 
C 3 HOH 115 515 515 HOH HOH A . 
C 3 HOH 116 516 516 HOH HOH A . 
C 3 HOH 117 517 517 HOH HOH A . 
C 3 HOH 118 518 519 HOH HOH A . 
C 3 HOH 119 519 518 HOH HOH A . 
C 3 HOH 120 520 525 HOH HOH A . 
C 3 HOH 121 521 522 HOH HOH A . 
C 3 HOH 122 522 520 HOH HOH A . 
C 3 HOH 123 523 527 HOH HOH A . 
C 3 HOH 124 524 523 HOH HOH A . 
C 3 HOH 125 525 521 HOH HOH A . 
C 3 HOH 126 526 530 HOH HOH A . 
C 3 HOH 127 527 528 HOH HOH A . 
C 3 HOH 128 528 529 HOH HOH A . 
C 3 HOH 129 529 526 HOH HOH A . 
C 3 HOH 130 530 540 HOH HOH A . 
C 3 HOH 131 531 531 HOH HOH A . 
C 3 HOH 132 532 533 HOH HOH A . 
C 3 HOH 133 533 537 HOH HOH A . 
C 3 HOH 134 534 534 HOH HOH A . 
C 3 HOH 135 535 535 HOH HOH A . 
C 3 HOH 136 536 546 HOH HOH A . 
C 3 HOH 137 537 536 HOH HOH A . 
C 3 HOH 138 538 532 HOH HOH A . 
C 3 HOH 139 539 539 HOH HOH A . 
C 3 HOH 140 540 497 HOH HOH A . 
C 3 HOH 141 541 538 HOH HOH A . 
C 3 HOH 142 542 524 HOH HOH A . 
C 3 HOH 143 543 544 HOH HOH A . 
C 3 HOH 144 544 542 HOH HOH A . 
C 3 HOH 145 545 541 HOH HOH A . 
C 3 HOH 146 546 545 HOH HOH A . 
C 3 HOH 147 547 543 HOH HOH A . 
C 3 HOH 148 548 548 HOH HOH A . 
C 3 HOH 149 549 549 HOH HOH A . 
C 3 HOH 150 550 550 HOH HOH A . 
C 3 HOH 151 551 551 HOH HOH A . 
C 3 HOH 152 552 552 HOH HOH A . 
C 3 HOH 153 553 553 HOH HOH A . 
C 3 HOH 154 554 554 HOH HOH A . 
C 3 HOH 155 555 555 HOH HOH A . 
C 3 HOH 156 556 556 HOH HOH A . 
C 3 HOH 157 557 557 HOH HOH A . 
C 3 HOH 158 558 558 HOH HOH A . 
C 3 HOH 159 559 559 HOH HOH A . 
C 3 HOH 160 560 561 HOH HOH A . 
C 3 HOH 161 561 560 HOH HOH A . 
C 3 HOH 162 562 565 HOH HOH A . 
C 3 HOH 163 563 562 HOH HOH A . 
C 3 HOH 164 564 564 HOH HOH A . 
C 3 HOH 165 565 563 HOH HOH A . 
C 3 HOH 166 566 566 HOH HOH A . 
C 3 HOH 167 567 567 HOH HOH A . 
C 3 HOH 168 568 568 HOH HOH A . 
C 3 HOH 169 569 570 HOH HOH A . 
C 3 HOH 170 570 572 HOH HOH A . 
C 3 HOH 171 571 569 HOH HOH A . 
C 3 HOH 172 572 571 HOH HOH A . 
C 3 HOH 173 573 573 HOH HOH A . 
C 3 HOH 174 574 574 HOH HOH A . 
C 3 HOH 175 575 575 HOH HOH A . 
C 3 HOH 176 576 576 HOH HOH A . 
C 3 HOH 177 577 578 HOH HOH A . 
C 3 HOH 178 578 577 HOH HOH A . 
C 3 HOH 179 579 580 HOH HOH A . 
C 3 HOH 180 580 579 HOH HOH A . 
C 3 HOH 181 581 581 HOH HOH A . 
C 3 HOH 182 582 582 HOH HOH A . 
C 3 HOH 183 583 583 HOH HOH A . 
C 3 HOH 184 584 584 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EQX 
_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                         9EQX 
_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                   9EQX 
_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                                       9EQX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.41 
_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                                     52804 
_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                                166.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.11 
_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                                   0.936 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.202 
_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                                    1.41 
_reflns_shell.d_res_low                                     1.44 
_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                             2594 
_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                                  0.370 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  1.246 
_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]                            0.352 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.352 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.703 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               20.907 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.965 
_refine.correlation_coeff_Fo_to_Fc_free          0.939 
_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                                 9EQX 
_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                            1.41 
_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                     52694 
_refine.ls_number_reflns_R_free                  2594 
_refine.ls_number_reflns_R_work                  50100 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.962 
_refine.ls_percent_reflns_R_free                 4.923 
_refine.ls_R_factor_all                          0.173 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1991 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1717 
_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                       0.050 
_refine.pdbx_overall_ESU_R_Free                  0.054 
_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                             1.172 
_refine.overall_SU_ML                            0.043 
_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                       1.41 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             184 
_refine_hist.number_atoms_total               1739 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1545 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.012  1664 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1486 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.803  1.809  2279 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.633  1.758  3453 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.927  5.000  227  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.263 5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.036 10.000 256  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.880 10.000 71   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.094  0.200  244  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2040 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  406  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.215  0.200  266  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1306 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  827  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.089  0.200  903  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.249  0.200  115  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.253  0.200  3    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.186  0.200  31   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.242  0.200  14   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.044  1.971  845  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.012  1.969  845  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.043  3.533  1060 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.067  3.536  1061 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.368  2.342  819  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.370  2.343  818  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.156  4.108  1208 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.156  4.108  1208 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.761  21.977 1848 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.562  19.818 1814 ? 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' 1.41  1.436  . . 159 3657 100.0000 . . . . 0.382 . . . . . . . . . . . 0.363 
'X-RAY DIFFRACTION' 1.436 1.476  . . 174 3564 100.0000 . . . . 0.332 . . . . . . . . . . . 0.339 
'X-RAY DIFFRACTION' 1.476 1.518  . . 167 3440 100.0000 . . . . 0.291 . . . . . . . . . . . 0.275 
'X-RAY DIFFRACTION' 1.518 1.565  . . 174 3350 100.0000 . . . . 0.242 . . . . . . . . . . . 0.285 
'X-RAY DIFFRACTION' 1.565 1.616  . . 173 3258 99.9709  . . . . 0.223 . . . . . . . . . . . 0.240 
'X-RAY DIFFRACTION' 1.616 1.673  . . 165 3168 100.0000 . . . . 0.195 . . . . . . . . . . . 0.215 
'X-RAY DIFFRACTION' 1.673 1.736  . . 185 2991 100.0000 . . . . 0.178 . . . . . . . . . . . 0.200 
'X-RAY DIFFRACTION' 1.736 1.806  . . 167 2927 100.0000 . . . . 0.158 . . . . . . . . . . . 0.185 
'X-RAY DIFFRACTION' 1.806 1.886  . . 141 2859 100.0000 . . . . 0.158 . . . . . . . . . . . 0.185 
'X-RAY DIFFRACTION' 1.886 1.978  . . 133 2684 100.0000 . . . . 0.157 . . . . . . . . . . . 0.207 
'X-RAY DIFFRACTION' 1.978 2.085  . . 129 2608 100.0000 . . . . 0.143 . . . . . . . . . . . 0.159 
'X-RAY DIFFRACTION' 2.085 2.210  . . 136 2430 100.0000 . . . . 0.145 . . . . . . . . . . . 0.158 
'X-RAY DIFFRACTION' 2.210 2.362  . . 112 2338 100.0000 . . . . 0.143 . . . . . . . . . . . 0.160 
'X-RAY DIFFRACTION' 2.362 2.550  . . 103 2163 100.0000 . . . . 0.142 . . . . . . . . . . . 0.186 
'X-RAY DIFFRACTION' 2.550 2.792  . . 119 1997 100.0000 . . . . 0.152 . . . . . . . . . . . 0.176 
'X-RAY DIFFRACTION' 2.792 3.119  . . 90  1826 100.0000 . . . . 0.148 . . . . . . . . . . . 0.168 
'X-RAY DIFFRACTION' 3.119 3.595  . . 96  1622 100.0000 . . . . 0.149 . . . . . . . . . . . 0.191 
'X-RAY DIFFRACTION' 3.595 4.390  . . 67  1414 100.0000 . . . . 0.135 . . . . . . . . . . . 0.145 
'X-RAY DIFFRACTION' 4.390 6.150  . . 56  1118 100.0000 . . . . 0.176 . . . . . . . . . . . 0.238 
'X-RAY DIFFRACTION' 6.150 32.000 . . 48  686  98.3914  . . . . 0.340 . . . . . . . . . . . 0.326 
# 
_struct.entry_id                     9EQX 
_struct.title                        '41fs pulse duration 50uJ 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        9EQX 
_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              9EQX 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 207 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02883 
_struct_ref_seq.db_align_beg                  23 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  229 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       207 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ASP A 129 ? CYS A 134 ? ASP A 129 CYS A 134 1 ? 6  
HELX_P HELX_P2 AA2 PRO A 135 ? LYS A 139 ? PRO A 135 LYS A 139 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 147 ? GLN A 153 ? ASP A 147 GLN A 153 1 ? 7  
HELX_P HELX_P4 AA4 THR A 154 ? CYS A 159 ? THR A 154 CYS A 159 1 ? 6  
HELX_P HELX_P5 AA5 THR A 167 ? CYS A 177 ? THR A 167 CYS A 177 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 9   SG ? ? ? 1_555 A CYS 204 SG ? ? A CYS 9   A CYS 204 1_555 ? ? ? ? ? ? ? 2.008 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.008 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.025 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.038 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 2.013 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.043 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.015 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.983 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.909 ? ? 
# 
_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       6.47 
# 
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 SER A 18  ? N SER A 18  O LYS A 49  ? O LYS A 49  
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                   9EQX 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 516 ? ? O A HOH 544 ? ? 1.96 
2 1 OE2 A GLU 168 ? A O A HOH 401 ? ? 2.13 
3 1 O   A HOH 467 ? ? O A HOH 489 ? ? 2.14 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     434 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     483 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   6_444 
_pdbx_validate_symm_contact.dist              2.09 
# 
_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                117.27 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            -3.03 
_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 ? ? 56.58   -139.13 
2 1 CYS A 71 ? ? -115.25 70.96   
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     76 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.135 
_pdbx_validate_planes.type            '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        14756 
_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                 50 
_pdbx_serial_crystallography_measurement.pulse_duration               41 
_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                    9EQX 
_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   ? 21.782  -10.983 -9.812  1.000 29.238 0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.450  -12.416 -9.999  1.000 28.253 0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.466  -12.437 -11.146 1.000 23.331 0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.742  -11.473 -11.355 1.000 24.482 0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.832  -13.006 -8.780  1.000 31.201 0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.480  -13.551 -11.863 1.000 19.981 0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.541  -13.692 -12.957 0.340 19.546 0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.586  -13.753 -12.985 0.660 20.532 0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.481  -14.712 -12.544 1.000 18.512 0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.788  -15.730 -11.975 1.000 20.677 0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.265  -14.075 -14.246 0.340 22.001 0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.386  -14.329 -14.156 0.660 26.054 0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.504  -15.464 -14.157 0.340 19.638 0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.217  -13.249 -14.579 0.660 27.840 0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.634  -13.431 -14.369 0.340 21.240 0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.526  -14.656 -15.359 0.660 27.327 0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.234  -14.359 -12.852 1.000 18.194 0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.112  -15.279 -12.695 1.000 17.994 0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.464  -15.491 -14.064 1.000 17.863 0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.108  -14.500 -14.712 1.000 20.554 0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.048  -14.657 -11.807 1.000 18.421 0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.375  -14.637 -10.325 1.000 20.263 0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.357  -13.789 -9.845  1.000 21.533 0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.725  -15.480 -9.449  1.000 20.663 0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.672  -13.781 -8.498  1.000 23.117 0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.027  -15.448 -8.116  1.000 21.735 0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 15.992  -14.605 -7.644  1.000 21.745 0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.320  -16.744 -14.447 1.000 15.704 0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.537  -17.022 -15.640 1.000 15.679 0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.176  -17.501 -15.168 1.000 16.213 0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.112  -18.424 -14.339 1.000 18.220 0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.216  -18.119 -16.455 1.000 19.087 0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.520  -18.287 -17.805 1.000 19.618 0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.053  -19.341 -18.756 1.000 22.827 0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.195  -20.467 -18.370 1.000 23.177 0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.380  -18.948 -19.890 1.000 27.093 0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.166  -16.830 -15.677 1.000 14.558 0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.799  -17.123 -15.284 1.000 15.388 0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.129  -17.762 -16.497 1.000 14.603 0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.041  -17.143 -17.551 1.000 15.878 0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.077  -15.859 -14.831 1.000 15.283 0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.823  -15.194 -13.627 1.000 19.042 0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.624   -16.184 -14.438 1.000 16.811 0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.427  -13.753 -13.420 1.000 22.350 0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.661   -18.989 -16.314 1.000 14.235 0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.194   -19.825 -17.396 1.000 14.998 0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.719   -20.151 -17.170 1.000 13.572 0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.378   -20.649 -16.096 1.000 15.388 0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 10.006  -21.102 -17.529 1.000 16.863 0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.432   -21.915 -18.690 1.000 17.423 0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.476  -20.768 -17.740 1.000 18.364 0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.846   -19.911 -18.134 1.000 13.291 0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.440   -20.325 -18.026 1.000 13.388 0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.231   -21.642 -18.764 1.000 13.661 0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.141   -21.628 -19.993 1.000 14.940 0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.503   -19.274 -18.586 1.000 13.726 0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.062   -19.718 -18.423 1.000 14.021 0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.817   -20.597 -17.591 1.000 14.743 0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.173   -19.096 -19.202 1.000 14.610 0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.198   -22.757 -18.075 1.000 13.585 0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.874   -24.063 -18.653 1.000 13.943 0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.377   -24.369 -18.573 1.000 14.218 0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.913   -25.422 -19.051 1.000 15.504 0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.744   -25.153 -18.026 1.000 14.659 0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.695   -26.503 -18.717 1.000 16.093 0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.646   -27.490 -18.102 1.000 17.581 0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.023   -27.051 -18.309 1.000 17.179 0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.051   -27.353 -17.565 1.000 20.843 0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.896   -28.101 -16.448 1.000 20.916 0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.237  -26.872 -17.846 1.000 20.775 0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.586   -23.430 -18.056 1.000 14.154 0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.144   -23.660 -18.028 1.000 13.873 0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.597   -23.592 -19.439 1.000 15.837 0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.132   -22.882 -20.288 1.000 16.781 0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.458   -22.586 -17.171 1.000 14.690 0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.109   -22.408 -15.485 1.000 15.356 0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.594  -24.175 -19.598 1.000 16.259 0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.297  -24.113 -20.868 0.770 18.836 0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.304  -24.125 -20.866 0.230 18.006 0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.033  -22.794 -21.081 1.000 19.828 0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.511  -22.530 -22.191 1.000 24.984 0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.257  -25.270 -20.975 0.770 21.670 0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.241  -25.310 -20.989 0.230 18.433 0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.338  -25.050 -20.078 0.770 24.663 0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -2.983  -25.531 -19.792 0.230 18.301 0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.123  -21.937 -20.049 1.000 16.783 0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.763  -20.670 -20.112 1.000 17.779 0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.719  -19.569 -19.918 1.000 16.500 0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.649  -19.802 -19.340 1.000 17.702 0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.846  -20.654 -19.034 1.000 19.981 0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.439  -21.113 -17.654 1.000 19.725 0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.863  -20.243 -16.732 1.000 20.316 0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.630  -22.431 -17.238 1.000 19.684 0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.457  -20.668 -15.487 1.000 20.733 0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.278  -22.842 -15.966 1.000 19.948 0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.715  -21.944 -15.069 1.000 19.633 0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.318  -22.417 -13.830 1.000 22.889 0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.073  -18.371 -20.344 1.000 16.778 0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.258  -17.180 -20.164 1.000 15.573 0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.249  -16.795 -18.694 1.000 16.586 0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.274  -16.885 -18.017 1.000 18.540 0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.786  -16.011 -20.996 1.000 18.127 0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.843  -16.479 -22.353 1.000 20.034 0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -0.927  -14.768 -20.905 1.000 19.120 0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.068  -16.395 -18.226 1.000 15.877 0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.079   -15.782 -16.918 1.000 15.167 0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.786   -14.469 -17.095 1.000 16.464 0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.489   -14.230 -18.072 1.000 17.378 0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.807   -16.635 -15.887 1.000 17.519 0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.137   -17.984 -15.642 1.000 19.783 0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.267   -16.788 -16.208 1.000 20.940 0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.615   -13.593 -16.124 1.000 13.903 0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.312   -12.338 -16.063 1.000 14.460 0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.221   -12.395 -14.862 1.000 14.853 0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.779   -12.313 -13.716 1.000 13.890 0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.335   -11.174 -16.018 1.000 15.414 0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.420  -10.935 -17.305 1.000 14.654 0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.112  -9.989  -18.234 1.000 17.893 0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.520  -11.690 -17.837 1.000 15.835 0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -1.013  -10.036 -19.273 1.000 17.802 0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.865  -11.090 -19.091 1.000 16.551 0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.255  -12.769 -17.384 1.000 16.606 0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.927  -11.556 -19.858 1.000 19.166 0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.278  -13.252 -18.184 1.000 18.891 0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.615  -12.626 -19.387 1.000 18.298 0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.494   -12.652 -15.107 1.000 13.721 0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.456   -12.765 -14.038 1.000 14.090 0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.641   -11.404 -13.394 1.000 14.594 0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.482   -10.367 -14.047 1.000 14.863 0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.784   -13.259 -14.566 1.000 15.662 0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.035   -11.424 -12.123 1.000 15.197 0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.282   -10.225 -11.341 1.000 16.027 0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.515   -10.462 -10.508 1.000 16.015 0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.766   -11.573 -10.050 1.000 15.937 0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.072   -9.902  -10.467 1.000 15.958 0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.278   -9.368  -10.248 1.000 16.949 0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.453   -9.439  -9.429  1.000 16.688 0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.606   -8.124  -8.689  1.000 17.016 0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.677   -7.081  -9.334  1.000 18.241 0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.694   -9.702  -10.249 1.000 19.695 0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.627   -8.187  -7.362  1.000 16.533 0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.643   -6.968  -6.532  1.000 17.381 0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.419   -7.263  -5.262  1.000 18.848 0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.446   -8.386  -4.804  1.000 17.617 0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.213   -6.553  -6.228  1.000 19.659 0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.112   -5.434  -5.333  1.000 23.241 0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.907   -6.193  -4.590  1.000 20.487 0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.348  -6.332  -3.214  1.000 22.749 0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.470   -5.529  -2.264  1.000 26.961 0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.874   -5.338  -1.118  1.000 29.231 0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.837  -5.971  -3.041  1.000 25.465 0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.219  -4.547  -3.416  1.000 29.601 0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.707  -4.242  -3.223  1.000 31.397 0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 13.998  -2.783  -3.326  1.000 40.651 0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.612  -2.131  -2.064  1.000 45.736 0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.261   -5.165  -2.689  1.000 23.347 0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.224   -4.660  -1.787  1.000 24.830 0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.123   -3.138  -1.859  1.000 26.486 0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 6.016   -2.603  -1.857  1.000 27.430 0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.262   -2.477  -2.061  1.000 29.474 0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.290   -1.029  -2.194  1.000 30.733 0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.888   -0.593  -3.522  1.000 33.211 0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 9.004   0.601   -3.780  1.000 32.651 0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 9.073   -0.465  -1.014  1.000 36.345 0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.548  -0.845  -0.984  1.000 42.038 0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 10.982  -1.743  -1.750  1.000 35.371 0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.297  -0.174  -0.253  1.000 53.269 0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.167   -1.550  -4.419  1.000 26.310 0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.689   -1.268  -5.732  1.000 22.546 0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.533   -2.503  -6.614  1.000 22.621 0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.566   -3.621  -6.110  1.000 22.249 0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.160  -0.929  -5.648  1.000 24.993 0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.499   -2.293  -7.915  1.000 22.070 0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.601   -3.391  -8.862  1.000 22.073 0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 10.990  -4.001  -8.804  1.000 27.009 0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.977  -3.318  -8.533  1.000 25.904 0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.344   -2.878  -10.246 1.000 24.129 0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.088  -5.293  -9.131  1.000 20.564 0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.336  -5.894  -9.549  1.000 20.678 0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.332  -5.936  -11.062 1.000 21.851 0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.381  -6.399  -11.679 1.000 21.389 0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.501  -7.301  -8.991  1.000 20.567 0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.483  -7.337  -7.461  1.000 22.883 0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.578  -8.775  -7.050  1.000 21.912 0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.584  -6.489  -6.802  1.000 26.484 0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.400  -5.416  -11.675 1.000 22.993 0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.501  -5.360  -13.122 1.000 21.124 0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.264  -4.590  -13.571 1.000 20.283 0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.898  -3.591  -12.981 1.000 24.075 0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.744  -6.735  -13.723 1.000 21.405 0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.274  -6.791  -15.155 1.000 24.840 0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.496  -6.440  -16.085 1.000 26.894 0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.410  -7.255  -15.335 1.000 25.650 0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.631  -5.016  -14.643 1.000 19.496 0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.463  -4.347  -15.159 1.000 19.826 0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.225   -4.538  -14.275 1.000 23.383 0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.234   -3.845  -14.451 1.000 25.865 0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.223  -4.829  -16.570 1.000 24.332 0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.239   -5.507  -13.368 1.000 20.411 0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.149   -5.651  -12.412 1.000 19.741 0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.029   -6.580  -12.885 1.000 18.369 0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.318   -7.142  -12.055 1.000 17.998 0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.803   -6.725  -14.183 1.000 17.767 0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.803   -7.674  -14.634 1.000 17.760 0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.809   -7.765  -16.142 1.000 19.752 0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.328   -6.881  -16.817 1.000 20.047 0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.279   -8.882  -16.646 1.000 15.982 0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.215   -9.093  -18.067 1.000 17.146 0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.218   -10.199 -18.338 1.000 17.612 0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.104   -11.123 -17.547 1.000 17.199 0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.591   -9.533  -18.574 1.000 21.323 0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.756   -8.994  -19.989 1.000 22.741 0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.848   -9.761  -20.702 1.000 23.839 0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.375   -11.051 -21.189 1.000 22.095 0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.087   -11.844 -21.982 1.000 22.559 0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.389   -11.644 -22.134 1.000 21.259 0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.508   -12.888 -22.562 1.000 21.673 0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.583   -10.151 -19.494 1.000 17.190 0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.788   -11.269 -19.981 1.000 15.713 0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.678   -12.420 -20.449 1.000 16.688 0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.686   -12.233 -21.121 1.000 17.504 0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.929   -10.797 -21.157 1.000 17.619 0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 1.019   -11.875 -21.697 1.000 18.461 0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.076   -11.368 -22.773 1.000 22.828 0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.398  -10.239 -22.703 1.000 26.835 0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.162  -12.173 -23.792 1.000 25.910 0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.341   -13.639 -20.045 1.000 14.404 0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.012   -14.852 -20.500 1.000 14.603 0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.950   -15.742 -21.099 1.000 15.360 0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.202   -16.415 -20.371 1.000 15.363 0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.741   -15.625 -19.400 1.000 15.780 0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.971   -14.978 -18.797 1.000 20.621 0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.438   -15.831 -17.641 1.000 23.885 0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 7.085   -14.863 -19.774 1.000 23.324 0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.974   -15.901 -22.422 1.000 14.696 0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.157   -16.927 -23.020 1.000 15.719 0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.733   -18.301 -22.693 1.000 14.232 0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.858   -18.441 -22.209 1.000 14.658 0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.012   -16.743 -24.520 1.000 17.414 0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.332   -15.428 -24.824 1.000 22.784 0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.434   -15.014 -24.102 1.000 25.445 0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.753   -14.780 -25.888 1.000 30.583 0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.959   -19.356 -22.951 1.000 14.667 0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.342   -20.717 -22.686 1.000 14.629 0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.649   -21.017 -23.406 1.000 15.420 0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.730   -20.900 -24.639 1.000 14.883 0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.257   -21.675 -23.128 1.000 16.941 0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.687   -23.007 -22.995 1.000 17.889 0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.662   -21.403 -22.631 1.000 14.451 0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.988   -21.692 -23.129 1.000 14.171 0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 6.996   -20.555 -23.063 1.000 14.733 0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.202   -20.813 -23.233 1.000 15.800 0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.552   -19.308 -22.861 1.000 14.189 0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.482   -18.189 -22.894 1.000 14.412 0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.340   -18.154 -21.644 1.000 14.081 0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.920   -18.554 -20.542 1.000 15.271 0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.741   -16.864 -23.073 1.000 14.018 0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.162   -16.711 -24.480 1.000 15.810 0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.573   -15.377 -24.773 1.000 18.295 0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.109   -14.680 -23.847 1.000 17.775 0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.570   -15.002 -25.980 1.000 22.120 0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.494   -17.539 -21.801 1.000 14.578 0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.491  -17.360 -20.762 1.000 15.204 0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.865  -15.893 -20.708 1.000 17.860 0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 11.018  -15.225 -21.735 1.000 19.236 0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.726  -18.158 -21.085 1.000 17.818 0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.487  -19.538 -21.182 1.000 18.374 0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.014  -15.378 -19.495 1.000 16.285 0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.361  -13.988 -19.247 1.000 17.061 0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.553  -14.009 -18.308 1.000 18.949 0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.483  -14.572 -17.234 1.000 18.781 0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.173  -13.269 -18.614 1.000 19.619 0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.384  -11.832 -18.217 1.000 20.347 0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.110  -10.874 -18.848 1.000 23.923 0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.777   -11.191 -17.078 1.000 20.109 0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.948  -9.670  -18.202 1.000 25.028 0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.177  -9.831  -17.110 1.000 23.308 0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 8.975   -11.643 -16.044 1.000 21.253 0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.779   -8.945  -16.114 1.000 23.345 0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.574   -10.771 -15.065 1.000 24.446 0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.990   -9.441  -15.108 1.000 24.467 0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.648  -13.351 -18.691 1.000 18.655 0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.835  -13.323 -17.856 1.000 20.272 0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.954  -11.930 -17.247 1.000 19.820 0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.851  -10.920 -17.962 1.000 22.197 0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.056  -13.614 -18.721 1.000 25.160 0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 15.983  -14.941 -19.261 1.000 27.764 0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.333  -13.539 -17.919 1.000 28.994 0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.032  -11.917 -15.920 1.000 19.577 0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.191  -10.685 -15.163 1.000 19.831 0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.511  -10.684 -14.409 1.000 19.918 0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.075  -11.707 -14.091 1.000 20.200 0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 14.007  -10.373 -14.246 1.000 21.490 0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.858  -11.378 -13.125 1.000 19.796 0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.727  -10.212 -15.077 1.000 24.240 0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.900  -10.965 -12.013 1.000 23.405 0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 16.991  -9.447  -14.139 1.000 21.451 0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.168  -9.257  -13.301 1.000 20.510 0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.698  -8.623  -12.006 1.000 20.528 0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.931  -7.675  -12.024 1.000 23.957 0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.162  -8.319  -14.001 1.000 25.912 0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.840  -9.050  -15.140 1.000 36.103 0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.627  -9.984  -14.919 1.000 49.444 0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.456  -8.725  -16.364 1.000 45.519 0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.118  -9.227  -10.913 1.000 21.306 0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.814  -8.796  -9.556  1.000 21.597 0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.120  -8.346  -8.899  1.000 22.336 0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.094  -9.072  -8.920  1.000 22.578 0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.112  -9.921  -8.797  1.000 22.765 0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.857  -9.536  -7.339  1.000 24.326 0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.793  -10.304 -9.482  1.000 26.299 0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.093  -7.134  -8.341  1.000 23.997 0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.308  -6.557  -7.771  1.000 24.716 0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.795  -7.438  -6.636  1.000 25.111 0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.033  -7.876  -5.783  1.000 22.306 0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 20.081  -5.129  -7.273  1.000 30.710 0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 21.235  -4.210  -7.669  1.000 45.264 0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.555  -3.066  -6.727  0.230 43.271 0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 22.667  -2.533  -6.938  0.690 45.320 0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 20.755  -2.716  -5.822  0.620 44.344 0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.104  -7.711  -6.528  1.000 22.679 0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.657  -8.376  -5.351  1.000 21.755 0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.271  -7.634  -4.080  1.000 22.117 0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.077  -6.416  -4.089  1.000 23.974 0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.195  -8.330  -5.533  1.000 26.665 0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.384  -8.075  -7.005  1.000 28.022 0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.152  -7.352  -7.510  1.000 24.870 0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.074  -8.386  -2.997  1.000 23.575 0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.686  -7.778  -1.738  1.000 24.240 0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.180  -7.603  -1.552  1.000 25.829 0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.750  -7.180  -0.472  1.000 25.677 0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.371  -7.917  -2.577  1.000 22.591 0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.933  -7.765  -2.489  1.000 22.292 0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.397  -8.645  -1.366  1.000 22.081 0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.614  -9.848  -1.341  1.000 23.193 0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.272  -8.088  -3.837  1.000 23.758 0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.619  -7.105  -4.802  1.000 24.942 0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.756  -8.035  -3.749  1.000 24.959 0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.649  -8.014  -0.460  1.000 22.214 0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.083  -8.668  0.694   1.000 24.033 0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.566  -8.593  0.545   1.000 21.342 0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 14.019  -7.564  0.178   1.000 24.283 0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.493  -7.939  1.972   1.000 32.345 0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 16.399  -8.830  3.176   1.000 46.065 0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 15.313  -9.304  3.517   1.000 57.964 0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 17.524  -9.054  3.838   1.000 59.717 0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.930  -9.762  0.628   1.000 20.905 0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.484  -9.777  0.648   1.000 21.296 0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.844  -9.670  -0.736  1.000 20.628 0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.775  -9.063  -0.910  1.000 22.259 0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.505  -10.206 -1.755  1.000 17.902 0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.904  -10.222 -3.070  1.000 16.547 0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.920  -11.382 -3.206  1.000 15.401 0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.053  -12.412 -2.554  1.000 17.142 0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.932   -11.166 -4.083  1.000 15.960 0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.925   -12.179 -4.386  1.000 15.790 0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.633   -12.168 -5.886  1.000 15.437 0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.648   -11.123 -6.543  1.000 16.591 0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.629   -11.907 -3.627  1.000 15.720 0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.789   -11.828 -2.127  1.000 18.180 0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.504   -11.797 -1.335  1.000 19.845 0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.743   -11.430 0.118   1.000 21.929 0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.601   -12.280 0.914   1.000 25.134 0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.390   -13.367 -6.398  1.000 14.195 0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.906   -13.571 -7.761  1.000 15.113 0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.621   -14.365 -7.635  1.000 13.926 0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.525   -15.291 -6.847  1.000 14.581 0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.957   -14.308 -8.594  1.000 15.957 0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.104  -13.356 -8.898  1.000 16.933 0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.338   -14.818 -9.892  1.000 16.961 0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.404  -14.025 -9.370  1.000 18.499 0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.645   -14.010 -8.449  1.000 13.795 0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.372   -14.717 -8.490  1.000 12.894 0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.765   -14.575 -9.876  1.000 13.879 0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.212   -13.774 -10.723 1.000 14.016 0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.425   -14.188 -7.382  1.000 13.516 0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.874   -12.798 -7.547  1.000 13.862 0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.640   -12.434 -7.988  1.000 12.812 0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.558   -11.578 -7.213  1.000 15.121 0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.504   -11.069 -7.944  1.000 15.452 0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.671   -10.528 -7.482  1.000 14.631 0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.845   -11.282 -6.752  1.000 16.295 0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 3.005   -9.192  -7.307  1.000 16.532 0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.180   -9.943  -6.583  1.000 17.673 0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.259   -8.934  -6.803  1.000 17.942 0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.725   -15.382 -10.099 1.000 13.765 0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.947   -15.335 -11.316 1.000 14.043 0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.600   -14.690 -11.009 1.000 13.177 0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.065   -14.815 -9.904  1.000 15.420 0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.730   -16.725 -11.884 1.000 16.485 0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.096   -13.963 -11.975 1.000 13.482 0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.253  -13.427 -11.991 1.000 13.368 0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.038  -14.092 -13.088 1.000 14.327 0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.492  -14.317 -14.181 1.000 15.078 0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.180  -11.922 -12.209 1.000 13.973 0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.351  -11.236 -11.153 1.000 14.118 0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.159  -9.789  -11.471 1.000 16.137 0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.825   -9.667  -12.546 1.000 16.422 0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.176   -8.508  -13.112 1.000 17.375 0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.528   -7.394  -12.828 1.000 17.714 0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.200   -8.487  -13.956 1.000 18.777 0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.336  -14.340 -12.852 1.000 14.622 0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.197  -14.958 -13.845 1.000 15.656 0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.344  -14.037 -14.219 1.000 17.719 0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.762  -13.164 -13.452 1.000 16.971 0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.732  -16.304 -13.364 1.000 17.542 0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.492  -16.069 -12.171 1.000 18.099 0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.617  -17.289 -13.084 1.000 18.198 0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.813  -14.266 -15.447 1.000 16.009 0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.012  -13.623 -15.974 1.000 17.850 0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.905  -12.112 -15.856 1.000 19.102 0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.747  -11.476 -15.217 1.000 20.071 0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.248  -14.196 -15.318 1.000 21.807 0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.496  -15.640 -15.695 1.000 26.433 0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.526  -15.895 -16.910 0.520 27.955 0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.535  -16.473 -14.772 0.640 28.889 0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.880  -11.529 -16.480 1.000 17.469 0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.638  -10.107 -16.462 1.000 17.911 0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.127  -9.455  -17.759 1.000 20.157 0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.063  -10.024 -18.849 1.000 21.554 0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.148  -9.750  -16.372 1.000 17.816 0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.286  -10.479 -14.957 1.000 17.786 0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.543  -8.209  -17.616 1.000 20.928 0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.829  -7.291  -18.714 0.590 22.918 0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.786  -7.321  -18.736 0.410 24.790 0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.033  -6.028  -18.462 1.000 23.563 0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.201  -5.391  -17.418 1.000 26.343 0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.330  -6.979  -18.757 0.590 22.939 0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.270  -7.029  -18.970 0.410 27.703 0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.091  -8.216  -19.179 0.590 21.953 0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.383  -5.729  -19.750 0.410 30.344 0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.540  -9.127  -18.242 0.590 21.731 0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.061  -5.682  -21.101 0.410 34.010 0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.187  -8.567  -20.526 0.590 25.157 0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.711  -4.537  -19.114 0.410 33.836 0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -10.193 -10.287 -18.623 0.590 23.500 0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.103  -4.495  -21.810 0.410 32.745 0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -9.816  -9.740  -20.916 0.590 25.417 0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.741  -3.342  -19.807 0.410 34.090 0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.323 -10.591 -19.968 0.590 25.575 0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -8.454  -3.325  -21.159 0.410 34.420 0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.884 -11.775 -20.339 0.590 31.833 0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -8.513  -2.151  -21.847 0.410 39.405 0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.221  -5.613  -19.433 1.000 25.483 0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.506  -4.373  -19.346 1.000 26.286 0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.749  -3.577  -20.620 1.000 30.902 0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -4.839  -4.157  -21.687 1.000 34.705 0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -3.010  -4.616  -19.176 1.000 25.526 0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.658  -5.282  -17.854 1.000 23.444 0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.740  -4.566  -16.666 1.000 24.532 0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.230  -6.601  -17.796 1.000 21.252 0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.475  -5.162  -15.457 1.000 23.266 0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.916  -7.174  -16.579 1.000 21.786 0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.036  -6.462  -15.412 1.000 23.087 0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.780  -2.262  -20.450 1.000 35.778 0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.865  -1.319  -21.554 1.000 39.177 0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.455  -0.960  -22.015 1.000 40.786 0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.462  -1.554  -21.597 1.000 40.336 0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.711  -0.130  -21.128 1.000 33.982 0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.083  0.843   -20.153 1.000 34.928 0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.845  0.800   -19.907 1.000 37.051 0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.844  1.638   -19.611 1.000 46.293 0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.361  0.039   -22.904 1.000 51.011 0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.078  0.396   -23.482 1.000 51.396 0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.185  1.126   -22.485 1.000 46.826 0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? 0.030   1.046   -22.619 1.000 58.295 0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.229  1.131   -24.805 1.000 55.769 0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -2.171  0.176   -25.980 0.650 54.364 0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -3.218  -0.442  -26.268 1.000 55.231 0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.048  -0.024  -26.501 0.550 50.856 0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.765  1.802   -21.482 1.000 44.508 0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.968  2.425   -20.431 1.000 43.481 0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.413  1.402   -19.418 1.000 43.808 0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.319   1.785   -18.516 1.000 45.780 0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.754  3.527   -19.736 1.000 52.748 0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.763  3.040   -18.850 1.000 55.305 0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.782  0.113   -19.511 1.000 36.139 0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.319  -0.883  -18.540 1.000 34.617 0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.161  -0.910  -17.259 1.000 30.090 0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.678  -1.305  -16.205 1.000 27.624 0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.413  -0.460  -17.380 1.000 29.400 0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.351  -0.377  -16.272 0.590 28.914 0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.357  -0.361  -16.285 0.410 27.910 0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.516  -1.323  -16.537 1.000 26.210 0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -4.990  -1.486  -17.663 1.000 27.496 0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.833  1.051   -16.061 0.590 33.298 0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.824  1.069   -16.167 0.410 29.741 0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.849  1.860   -15.430 0.590 35.079 0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.634  1.252   -15.019 0.410 29.212 0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -4.994  -1.985  -15.470 1.000 24.741 0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -6.037  -2.943  -15.637 1.000 25.162 0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.355  -3.697  -14.351 1.000 20.987 0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.391  -3.123  -13.280 1.000 21.187 0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.612  -4.992  -14.504 1.000 19.603 0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.057  -5.801  -13.394 1.000 17.987 0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.699  -7.254  -13.686 1.000 18.970 0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.748  -7.687  -14.819 1.000 20.917 0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.566  -5.661  -13.149 1.000 20.162 0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -8.964  -6.457  -11.909 1.000 23.394 0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.408  -6.097  -14.352 1.000 24.726 0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -10.080 -5.870  -11.107 1.000 28.483 0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.406  -8.002  -12.621 1.000 17.343 0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.232  -9.449  -12.702 1.000 16.078 0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.054  -10.124 -11.619 1.000 16.109 0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.336  -9.514  -10.583 1.000 17.773 0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.797  -9.869  -12.405 1.000 16.870 0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.553  -9.138  -13.487 0.920 16.470 0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.501  -11.347 -11.862 1.000 18.174 0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.335  -12.069 -10.897 1.000 18.063 0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.555  -12.696 -9.753  1.000 19.760 0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.085  -12.912 -8.671  1.000 19.991 0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.161  -13.136 -11.588 1.000 19.592 0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.212 -12.539 -12.476 1.000 23.227 0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.277 -13.551 -12.785 1.000 26.018 0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.272 -12.920 -13.705 1.000 27.907 0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.164 -13.957 -14.202 1.000 34.827 0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.243  -12.993 -9.921  1.000 15.886 0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.391  -13.363 -8.818  1.000 16.948 0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.112  -12.549 -8.914  1.000 15.947 0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.636  -12.284 -10.013 1.000 16.016 0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.049  -14.843 -8.785  1.000 16.803 0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.262  -15.274 -9.902  1.000 15.659 0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.290  -15.713 -8.702  1.000 17.049 0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.577  -12.162 -7.758  1.000 16.070 0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.296  -11.507 -7.665  1.000 15.120 0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.222  -10.074 -8.146  1.000 15.568 0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.101  -9.599  -8.335  1.000 16.223 0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.371  -9.389  -8.327  1.000 15.567 0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.331  -8.038  -8.854  1.000 16.493 0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.504  -7.157  -7.935  1.000 17.950 0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.655  -7.220  -6.718  1.000 17.632 0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.761  -7.506  -8.935  1.000 16.421 0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.864  -6.159  -9.611  1.000 24.347 0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.643  -6.117  -10.808 1.000 26.094 0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.079  -5.172  -8.874  1.000 27.721 0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.651  -6.307  -8.518  1.000 17.597 0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.768  -5.427  -7.739  1.000 20.365 0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.137  -3.957  -7.978  1.000 21.927 0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.502  -3.273  -8.759  1.000 24.183 0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.701   -5.651  -8.074  1.000 19.202 0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.071   -5.310  -9.811  1.000 19.824 0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.283  -3.564  -7.442  1.000 22.111 0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.855  -2.237  -7.636  1.000 24.670 0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.161  -1.887  -9.081  1.000 24.105 0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -3.050  -0.729  -9.458  1.000 25.623 0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.530  -2.860  -9.912  1.000 21.094 0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -4.002  -2.610  -11.245 1.000 22.436 0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.902  -2.359  -12.271 1.000 22.720 0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.223  -1.911  -13.364 1.000 28.135 0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.641  -2.609  -11.936 1.000 21.923 0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.536  -2.318  -12.847 1.000 21.758 0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? -0.006  -3.602  -13.496 1.000 20.722 0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.066   -4.647  -12.813 1.000 22.158 0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.580   -1.636  -12.067 1.000 25.578 0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.219   -0.263  -11.462 1.000 30.461 0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.415   0.292   -10.711 1.000 28.950 0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.299  0.659   -12.536 1.000 34.289 0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.396   -3.505  -14.758 1.000 21.182 0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.152   -4.558  -15.439 1.000 21.357 0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.495   -4.713  -14.749 1.000 20.465 0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.938   -5.805  -14.377 1.000 21.849 0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.334   -4.267  -16.926 1.000 23.585 0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.227   -5.220  -17.728 1.000 25.780 0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.737   -6.671  -17.674 1.000 27.520 0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.251   -4.688  -19.150 1.000 29.425 0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.155   -3.582  -14.496 1.000 22.173 0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.489   -3.588  -13.954 1.000 22.969 0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.355   -3.340  -12.474 1.000 24.896 0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.192   -2.209  -12.013 1.000 26.822 0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.366   -2.533  -14.675 1.000 24.894 0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.639   -2.850  -16.139 1.000 30.009 0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.333   -1.682  -16.859 1.000 37.144 0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 7.157   -2.050  -18.017 0.410 42.993 0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 6.783   -1.970  -19.290 0.480 51.546 0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 5.521   -2.177  -19.637 0.630 53.875 0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 7.703   -1.791  -20.227 0.800 56.084 0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.384   -4.404  -11.690 1.000 21.844 0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.162   -4.292  -10.275 1.000 21.188 0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.285   -3.595  -9.514  1.000 27.207 0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.457   -3.955  -9.662  1.000 28.865 0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.035   -5.671  -9.628  1.000 20.470 0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.585   -6.586  -10.237 1.000 19.770 0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.865   -2.695  -8.608  1.000 24.011 0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.743   -2.045  -7.647  1.000 27.579 0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.506   -2.582  -6.244  1.000 27.825 0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.372   -2.504  -5.377  1.000 36.948 0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.505   -0.524  -7.754  1.000 35.133 0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 6.373   0.362   -6.874  0.470 42.400 0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 5.783   0.814   -5.539  0.430 50.334 0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 6.440   2.076   -5.040  0.730 57.871 0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 6.200   2.313   -3.612  0.960 62.051 0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.310   -3.117  -6.003  1.000 24.156 0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.974   -3.636  -4.699  1.000 23.277 0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.549   -5.099  -4.852  1.000 20.845 0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.465   -5.604  -5.957  1.000 21.087 0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.845   -2.827  -4.059  1.000 29.213 0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 1.522   -2.907  -4.787  1.000 37.231 0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 0.335   -2.596  -3.875  0.390 43.930 0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? -0.757  -3.504  -4.238  0.470 49.109 0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? -1.185  -4.500  -3.477  0.250 50.722 0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? -0.750  -4.609  -2.232  0.440 52.580 0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? -2.051  -5.373  -3.966  1.000 53.815 0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.338   -5.760  -3.727  1.000 20.116 0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.939   -7.156  -3.707  1.000 19.391 0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.484   -7.303  -4.122  1.000 20.966 0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.687   -6.375  -4.146  1.000 23.481 0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.136   -7.810  -2.347  1.000 19.371 0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.591   -7.861  -1.911  1.000 19.486 0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.587   -8.249  -2.799  1.000 21.090 0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.936   -7.601  -0.600  1.000 22.305 0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.905   -8.346  -2.393  1.000 21.028 0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.262   -7.675  -0.196  1.000 22.258 0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.222   -8.066  -1.102  1.000 21.619 0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.183   -8.517  -4.544  1.000 18.577 0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.103  -8.786  -5.170  1.000 18.148 0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.166  -9.268  -4.180  1.000 16.841 0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.892  -9.721  -3.086  1.000 18.256 0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.416  -9.127  -4.621  1.000 15.918 0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.556  -9.517  -3.805  1.000 18.222 0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.643  -11.035 -3.790  1.000 16.255 0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.609  -11.701 -4.829  1.000 16.608 0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.825  -8.951  -4.448  1.000 20.245 0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.097  -9.188  -3.668  1.000 25.971 0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.242  -8.376  -4.309  1.000 28.999 0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.388  -8.428  -3.400  0.700 34.314 0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.434  -9.242  -3.505  1.000 33.094 0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.483  -10.111 -4.495  0.720 32.317 0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.356 -9.285  -2.561  0.430 28.333 0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.838  -11.672 -2.626  1.000 14.926 0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.016  -13.124 -2.567  1.000 14.485 0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.234  -13.528 -3.356  1.000 15.219 0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.208  -12.769 -3.476  1.000 17.124 0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.205  -13.462 -1.087  1.000 16.699 0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.644  -12.270 -0.394  1.000 20.940 0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.787  -11.068 -1.275  1.000 18.448 0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.316  -14.774 -3.829  1.000 14.478 0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.369  -15.842 -3.532  1.000 14.278 0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.196  -15.844 -4.511  1.000 14.582 0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.393  -15.709 -5.716  1.000 15.520 0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.198  -17.090 -3.668  1.000 15.829 0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.234  -16.740 -4.677  1.000 18.646 0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.533  -15.285 -4.508  1.000 17.220 0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.992  -16.040 -4.001  1.000 14.188 0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.774  -16.048 -4.796  1.000 13.319 0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.213   -17.046 -4.239  1.000 13.435 0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.713   -16.850 -3.136  1.000 14.390 0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.061  -14.683 -4.819  1.000 15.041 0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.151   -14.289 -3.454  1.000 17.807 0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.827  -13.591 -5.542  1.000 16.211 0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.567   -18.073 -4.997  1.000 12.477 0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.703   -18.904 -4.642  1.000 13.403 0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.956   -18.011 -4.739  1.000 12.996 0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.071   -17.282 -5.715  1.000 14.691 0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.854   -20.072 -5.612  1.000 14.083 0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.565   -20.587 -5.952  1.000 13.873 0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.758   -21.148 -5.087  1.000 16.112 0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.843   -18.018 -3.758  1.000 12.962 0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.955   -17.070 -3.787  1.000 13.283 0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.297   -17.779 -3.843  1.000 13.508 0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.572   -18.647 -3.003  1.000 14.913 0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.903   -16.245 -2.501  1.000 14.425 0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.734   -15.273 -2.384  1.000 14.788 0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.646   -14.687 -0.999  1.000 17.223 0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.803   -14.210 -3.407  1.000 17.812 0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.173   -17.319 -4.752  1.000 13.128 0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.580   -17.618 -4.684  1.000 12.590 0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.250   -16.440 -3.956  1.000 13.770 0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.069   -15.302 -4.336  1.000 17.068 0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.151   -17.764 -6.063  1.000 14.478 0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.956   -16.740 -2.869  1.000 14.218 0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.487  -15.700 -2.005  1.000 14.048 0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 12.001  -15.871 -1.884  1.000 15.042 0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.493  -16.988 -1.808  1.000 16.088 0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.882   -15.823 -0.598  1.000 15.540 0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.352   -15.787 -0.577  1.000 16.455 0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.794   -15.863 0.839   1.000 16.607 0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.147   -16.759 1.618   1.000 17.101 0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.941   -14.995 1.068   1.000 20.264 0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.693  -14.729 -1.852  1.000 15.483 0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.139  -14.808 -1.803  1.000 17.256 0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.723  -13.582 -1.125  1.000 15.779 0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.264  -12.453 -1.255  1.000 17.957 0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.688  -15.031 -3.220  1.000 17.510 0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.170  -14.070 -4.260  1.000 16.602 0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 12.984  -14.380 -4.909  1.000 18.504 0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 14.723  -12.833 -4.499  1.000 20.414 0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 12.413  -13.521 -5.831  1.000 20.256 0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 14.153  -11.992 -5.442  1.000 20.160 0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 12.974  -12.330 -6.085  1.000 20.498 0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.861  -13.861 -0.490  1.000 17.681 0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.764  -12.825 -0.012  1.000 18.442 0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.175  -13.193 -0.436  1.000 16.918 0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.575  -14.322 -0.190  1.000 20.415 0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.644  -12.709 1.524   1.000 20.537 0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.367  -12.157 1.852   1.000 22.563 0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.857  -12.255 -1.109  1.000 18.473 0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.113  -12.587 -1.772  1.000 19.050 0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.290  -11.929 -1.034  1.000 18.803 0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.157  -10.830 -0.525  1.000 22.128 0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.059  -12.109 -3.211  1.000 19.284 0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.825  -12.547 -4.030  1.000 21.399 0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.920  -11.894 -5.395  1.000 24.274 0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.727  -14.003 -4.054  1.000 21.787 0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.395  -12.653 -1.000  1.000 20.947 0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.666  -12.100 -0.482  1.000 20.853 0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.509  -11.597 0.951   1.000 23.442 0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.875  -10.462 1.270   1.000 24.463 0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.175  -10.973 -1.369  1.000 21.910 0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.246  -11.361 -2.824  1.000 24.327 0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 23.367  -10.950 -3.593  1.000 23.539 0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 25.274  -12.096 -3.209  1.000 25.409 0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.965  -12.459 1.799   1.000 22.835 0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.761  -12.126 3.197   1.000 24.698 0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.879  -12.827 3.943   1.000 22.429 0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.861  -14.027 4.153   1.000 22.197 0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.393  -12.618 3.661   1.000 23.752 0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.252  -12.004 2.868   1.000 27.652 0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.143  -10.512 3.055   1.000 32.857 0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.020  -10.018 4.182   1.000 38.398 0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.165  -9.760  1.968   1.000 32.325 0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.934  -12.057 4.252   1.000 24.754 0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.088  -12.645 4.934   1.000 26.144 0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.641  -13.839 4.183   1.000 25.236 0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.969  -14.883 4.758   1.000 27.744 0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.824  -12.961 6.409   1.000 26.848 0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.379  -11.729 7.156   1.000 32.943 0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.288  -10.807 7.675   1.000 37.274 0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 24.024  -11.511 7.374   1.000 38.717 0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.853  -9.693  8.387   1.000 42.475 0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.577  -10.397 8.064   1.000 43.700 0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.493  -9.496  8.581   1.000 49.230 0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 23.975  -8.436  9.267   1.000 46.602 0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.774  -13.690 2.846   1.000 24.405 0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.403  -14.706 2.038   1.000 25.764 0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.453  -15.779 1.475   1.000 26.817 0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.887  -16.662 0.758   1.000 26.246 0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.163  -15.740 1.852   1.000 23.300 0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.251  -16.831 1.493   1.000 24.189 0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 23.005  -16.229 0.848   1.000 20.968 0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.645  -15.099 1.089   1.000 21.064 0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.839  -17.657 2.709   1.000 31.655 0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 24.929  -18.476 3.416   1.000 37.428 0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.552  -19.535 2.523   1.000 45.755 0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.601  -20.386 3.190   1.000 55.984 0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 27.303  -21.174 2.167   1.000 60.137 0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.404  -17.001 -0.049  1.000 21.029 0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.055  -16.708 -0.531  1.000 19.511 0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.053  -17.651 0.143   1.000 19.470 0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.331  -18.793 0.481   1.000 20.036 0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.980  -16.979 -2.026  1.000 19.623 0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.766  -16.103 -2.977  1.000 22.803 0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.336  -15.061 -2.584  1.000 20.374 0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.659  -16.391 -4.191  1.000 21.126 0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.813  -17.128 0.351   1.000 18.734 0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.769  -17.888 0.996   1.000 19.339 0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.538  -17.886 0.099   1.000 16.738 0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.077  -16.806 -0.246  1.000 20.068 0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.416  -17.247 2.333   1.000 22.354 0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.557  -17.341 3.325   1.000 23.487 0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.810  -18.526 3.969   1.000 23.946 0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.452  -16.289 3.476   1.000 26.295 0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.868  -18.647 4.865   1.000 30.680 0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.494  -16.388 4.386   1.000 29.540 0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.689  -17.563 5.077   1.000 29.015 0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.737  -17.681 5.953   1.000 32.387 0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.044  -19.074 -0.212  1.000 17.416 0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.872  -19.196 -1.106  1.000 17.477 0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.824  -20.095 -0.468  1.000 18.094 0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.086  -21.017 0.298   1.000 18.376 0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.214  -19.706 -2.507  1.000 18.754 0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.617  -21.170 -2.489  1.000 21.384 0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.290  -18.812 -3.117  1.000 20.637 0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.723  -21.795 -3.869  1.000 22.940 0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.559  -19.807 -0.770  1.000 16.483 0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.474  -20.655 -0.308  1.000 16.527 0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.278  -20.454 -1.229  1.000 15.321 0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.234  -19.505 -2.009  1.000 15.335 0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.096  -20.362 1.142   1.000 17.300 0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.491  -18.998 1.387   1.000 17.656 0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.280   -18.787 1.088   1.000 17.106 0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.194  -18.079 1.759   1.000 20.838 0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.331   -21.400 -1.145  1.000 14.759 0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 7.989   -21.188 -1.653  1.000 14.477 0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.058   -21.105 -0.461  1.000 14.445 0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.230   -21.789 0.542   1.000 15.242 0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.566   -22.302 -2.590  1.000 15.650 0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.397   -22.222 -3.887  1.000 18.894 0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.068   -22.233 -2.937  1.000 19.261 0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.168   -23.379 -4.840  1.000 21.745 0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.097   -20.214 -0.575  1.000 13.791 0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.133   -19.982 0.494   1.000 13.939 0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.717   -20.038 -0.030  1.000 13.814 0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.401   -19.467 -1.076  1.000 14.519 0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.410   -18.668 1.097   1.000 14.830 0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.398   -18.296 2.045   1.000 16.716 0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.853   -20.693 0.777   1.000 14.119 0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.412   -20.673 0.638   1.000 13.750 0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.727   -19.816 1.715   1.000 13.240 0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.508  -19.920 1.907   1.000 14.994 0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.840   -22.092 0.669   1.000 14.351 0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.135   -22.901 -0.569  1.000 16.772 0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.110   -22.367 -1.678  1.000 18.181 0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.458   -24.154 -0.383  1.000 17.331 0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.493   -18.958 2.399   1.000 13.827 0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.895   -18.168 3.482   1.000 14.234 0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.122  -17.190 2.940   1.000 14.338 0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.026  -16.781 3.688   1.000 15.263 0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.024   -17.465 4.265   1.000 16.048 0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.822   -18.497 5.038   1.000 18.151 0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.560   -16.330 5.163   1.000 18.612 0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.140   -17.970 5.590   1.000 19.699 0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? 0.011   -16.776 1.683   1.000 13.618 0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.920  -15.886 0.991   1.000 14.192 0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.715  -16.683 -0.045  1.000 13.870 0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.212  -16.079 -0.985  1.000 15.445 0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.176  -14.683 0.362   1.000 16.133 0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.540   -13.862 1.390   1.000 20.193 0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.483  -13.040 2.130   1.000 28.841 0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.179   -11.968 2.979   1.000 38.783 0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.829  -11.339 3.838   1.000 42.223 0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.924  -17.970 0.201   1.000 13.863 0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.754  -18.790 -0.642  1.000 13.901 0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.968  -19.332 -1.844  1.000 15.503 0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.743  -19.201 -1.930  1.000 17.355 0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.739  -19.913 -2.725  1.000 13.668 0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.187  -20.615 -3.882  1.000 13.969 0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.027  -20.283 -5.082  1.000 14.836 0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.254  -20.318 -5.033  1.000 14.831 0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.208  -22.113 -3.614  1.000 15.185 0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.725  -22.992 -4.751  1.000 14.241 0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.580  -23.257 -5.787  1.000 15.505 0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.442  -23.519 -4.756  1.000 14.106 0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.150  -24.096 -6.824  1.000 16.448 0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.033  -24.379 -5.752  1.000 16.544 0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.875  -24.639 -6.792  1.000 16.530 0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.375  -19.961 -6.200  1.000 14.698 0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.082  -19.774 -7.466  1.000 13.224 0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.531  -20.661 -8.575  1.000 15.278 0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.329  -21.293 -9.272  1.000 16.964 0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.165  -18.322 -7.868  1.000 13.826 0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.831  -17.649 -8.147  1.000 14.104 0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.769  -18.104 -7.705  1.000 13.670 0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.909  -16.580 -8.910  1.000 14.909 0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.210  -20.767 -8.700  1.000 14.418 0 110 VAL A N   1 ? 
ATOM   845  C CA  A VAL A 1 110 ? -0.589  -21.488 -9.797  0.800 14.738 0 110 VAL A CA  1 ? 
ATOM   846  C CA  B VAL A 1 110 ? -0.584  -21.479 -9.802  0.200 14.669 0 110 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 110 ? 0.501   -22.364 -9.212  1.000 14.975 0 110 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 110 ? 1.249   -21.932 -8.305  1.000 15.795 0 110 VAL A O   1 ? 
ATOM   849  C CB  A VAL A 1 110 ? -0.006  -20.475 -10.814 0.800 17.083 0 110 VAL A CB  1 ? 
ATOM   850  C CB  B VAL A 1 110 ? 0.017   -20.529 -10.863 0.200 15.043 0 110 VAL A CB  1 ? 
ATOM   851  C CG1 A VAL A 1 110 ? 0.931   -21.073 -11.855 0.800 19.387 0 110 VAL A CG1 1 ? 
ATOM   852  C CG1 B VAL A 1 110 ? 1.264   -19.810 -10.362 0.200 14.886 0 110 VAL A CG1 1 ? 
ATOM   853  C CG2 A VAL A 1 110 ? -1.089  -19.631 -11.488 0.800 17.184 0 110 VAL A CG2 1 ? 
ATOM   854  C CG2 B VAL A 1 110 ? 0.353   -21.232 -12.170 0.200 15.718 0 110 VAL A CG2 1 ? 
ATOM   855  N N   . PRO A 1 111 ? 0.680   -23.597 -9.683  1.000 13.739 0 111 PRO A N   1 ? 
ATOM   856  C CA  . PRO A 1 111 ? 1.747   -24.453 -9.194  1.000 14.014 0 111 PRO A CA  1 ? 
ATOM   857  C C   . PRO A 1 111 ? 3.107   -23.902 -9.649  1.000 14.488 0 111 PRO A C   1 ? 
ATOM   858  O O   . PRO A 1 111 ? 3.184   -23.248 -10.695 1.000 14.362 0 111 PRO A O   1 ? 
ATOM   859  C CB  . PRO A 1 111 ? 1.483   -25.801 -9.799  1.000 15.992 0 111 PRO A CB  1 ? 
ATOM   860  C CG  . PRO A 1 111 ? 0.568   -25.539 -10.927 1.000 18.413 0 111 PRO A CG  1 ? 
ATOM   861  C CD  . PRO A 1 111 ? -0.182  -24.266 -10.664 1.000 16.254 0 111 PRO A CD  1 ? 
ATOM   862  N N   . MET A 1 112 ? 4.143   -24.167 -8.866  1.000 15.180 0 112 MET A N   1 ? 
ATOM   863  C CA  . MET A 1 112 ? 5.446   -23.529 -9.087  1.000 15.719 0 112 MET A CA  1 ? 
ATOM   864  C C   . MET A 1 112 ? 6.581   -24.434 -8.649  1.000 16.240 0 112 MET A C   1 ? 
ATOM   865  O O   . MET A 1 112 ? 6.493   -25.159 -7.658  1.000 16.675 0 112 MET A O   1 ? 
ATOM   866  C CB  . MET A 1 112 ? 5.460   -22.245 -8.230  1.000 21.858 0 112 MET A CB  1 ? 
ATOM   867  C CG  . MET A 1 112 ? 6.739   -21.475 -8.162  1.000 26.985 0 112 MET A CG  1 ? 
ATOM   868  S SD  . MET A 1 112 ? 6.487   -20.238 -6.866  1.000 23.623 0 112 MET A SD  1 ? 
ATOM   869  C CE  . MET A 1 112 ? 5.410   -19.083 -7.697  1.000 26.029 0 112 MET A CE  1 ? 
ATOM   870  N N   . ASP A 1 113 ? 7.690   -24.338 -9.390  1.000 15.708 0 113 ASP A N   1 ? 
ATOM   871  C CA  . ASP A 1 113 ? 8.990   -24.857 -9.044  1.000 15.610 0 113 ASP A CA  1 ? 
ATOM   872  C C   . ASP A 1 113 ? 9.938   -23.671 -8.943  1.000 14.971 0 113 ASP A C   1 ? 
ATOM   873  O O   . ASP A 1 113 ? 9.893   -22.773 -9.801  1.000 15.944 0 113 ASP A O   1 ? 
ATOM   874  C CB  . ASP A 1 113 ? 9.484   -25.857 -10.069 1.000 17.444 0 113 ASP A CB  1 ? 
ATOM   875  C CG  . ASP A 1 113 ? 10.839  -26.474 -9.745  1.000 21.145 0 113 ASP A CG  1 ? 
ATOM   876  O OD1 . ASP A 1 113 ? 10.884  -27.520 -9.096  1.000 20.775 0 113 ASP A OD1 1 ? 
ATOM   877  O OD2 . ASP A 1 113 ? 11.841  -25.822 -10.042 1.000 21.293 0 113 ASP A OD2 1 ? 
ATOM   878  N N   . PHE A 1 114 ? 10.793  -23.661 -7.913  1.000 15.170 0 114 PHE A N   1 ? 
ATOM   879  C CA  . PHE A 1 114 ? 11.766  -22.614 -7.747  1.000 15.747 0 114 PHE A CA  1 ? 
ATOM   880  C C   . PHE A 1 114 ? 13.116  -23.276 -7.491  1.000 17.722 0 114 PHE A C   1 ? 
ATOM   881  O O   . PHE A 1 114 ? 13.295  -23.887 -6.434  1.000 18.354 0 114 PHE A O   1 ? 
ATOM   882  C CB  . PHE A 1 114 ? 11.361  -21.736 -6.567  1.000 15.728 0 114 PHE A CB  1 ? 
ATOM   883  C CG  . PHE A 1 114 ? 12.190  -20.518 -6.257  1.000 15.302 0 114 PHE A CG  1 ? 
ATOM   884  C CD1 . PHE A 1 114 ? 13.174  -20.038 -7.116  1.000 16.643 0 114 PHE A CD1 1 ? 
ATOM   885  C CD2 . PHE A 1 114 ? 11.981  -19.819 -5.070  1.000 16.007 0 114 PHE A CD2 1 ? 
ATOM   886  C CE1 . PHE A 1 114 ? 13.863  -18.881 -6.817  1.000 18.365 0 114 PHE A CE1 1 ? 
ATOM   887  C CE2 . PHE A 1 114 ? 12.662  -18.674 -4.786  1.000 18.570 0 114 PHE A CE2 1 ? 
ATOM   888  C CZ  . PHE A 1 114 ? 13.601  -18.179 -5.660  1.000 18.513 0 114 PHE A CZ  1 ? 
ATOM   889  N N   . SER A 1 115 ? 13.989  -23.227 -8.497  1.000 16.416 0 115 SER A N   1 ? 
ATOM   890  C CA  . SER A 1 115 ? 15.210  -24.029 -8.461  1.000 17.358 0 115 SER A CA  1 ? 
ATOM   891  C C   . SER A 1 115 ? 16.398  -23.156 -8.822  1.000 18.979 0 115 SER A C   1 ? 
ATOM   892  O O   . SER A 1 115 ? 16.302  -22.235 -9.621  1.000 19.659 0 115 SER A O   1 ? 
ATOM   893  C CB  . SER A 1 115 ? 15.162  -25.202 -9.399  1.000 19.548 0 115 SER A CB  1 ? 
ATOM   894  O OG  . SER A 1 115 ? 14.244  -26.194 -8.992  1.000 22.024 0 115 SER A OG  1 ? 
ATOM   895  N N   . PRO A 1 116 ? 17.583  -23.424 -8.236  1.000 19.167 0 116 PRO A N   1 ? 
ATOM   896  C CA  . PRO A 1 116 ? 18.805  -22.788 -8.730  1.000 18.829 0 116 PRO A CA  1 ? 
ATOM   897  C C   . PRO A 1 116 ? 19.179  -23.342 -10.095 1.000 21.438 0 116 PRO A C   1 ? 
ATOM   898  O O   . PRO A 1 116 ? 18.882  -24.496 -10.380 1.000 23.527 0 116 PRO A O   1 ? 
ATOM   899  C CB  . PRO A 1 116 ? 19.799  -23.190 -7.625  1.000 21.804 0 116 PRO A CB  1 ? 
ATOM   900  C CG  . PRO A 1 116 ? 19.355  -24.528 -7.222  1.000 22.387 0 116 PRO A CG  1 ? 
ATOM   901  C CD  . PRO A 1 116 ? 17.808  -24.431 -7.193  1.000 20.957 0 116 PRO A CD  1 ? 
ATOM   902  N N   . THR A 1 117 ? 19.818  -22.485 -10.889 1.000 22.318 0 117 THR A N   1 ? 
ATOM   903  C CA  . THR A 1 117 ? 20.409  -22.898 -12.164 1.000 22.993 0 117 THR A CA  1 ? 
ATOM   904  C C   . THR A 1 117 ? 21.913  -23.015 -12.023 1.000 26.446 0 117 THR A C   1 ? 
ATOM   905  O O   . THR A 1 117 ? 22.527  -23.461 -12.991 1.000 29.921 0 117 THR A O   1 ? 
ATOM   906  C CB  . THR A 1 117 ? 20.060  -21.936 -13.274 1.000 22.735 0 117 THR A CB  1 ? 
ATOM   907  O OG1 . THR A 1 117 ? 20.493  -20.622 -12.949 1.000 25.503 0 117 THR A OG1 1 ? 
ATOM   908  C CG2 . THR A 1 117 ? 18.573  -21.917 -13.540 1.000 23.905 0 117 THR A CG2 1 ? 
ATOM   909  N N   . THR A 1 118 ? 22.432  -22.676 -10.843 1.000 25.542 0 118 THR A N   1 ? 
ATOM   910  C CA  . THR A 1 118 ? 23.855  -22.816 -10.508 1.000 26.201 0 118 THR A CA  1 ? 
ATOM   911  C C   . THR A 1 118 ? 23.979  -23.895 -9.444  1.000 30.875 0 118 THR A C   1 ? 
ATOM   912  O O   . THR A 1 118 ? 22.986  -24.401 -8.927  1.000 31.906 0 118 THR A O   1 ? 
ATOM   913  C CB  . THR A 1 118 ? 24.427  -21.461 -10.072 1.000 28.285 0 118 THR A CB  1 ? 
ATOM   914  O OG1 . THR A 1 118 ? 23.613  -20.919 -9.030  1.000 28.976 0 118 THR A OG1 1 ? 
ATOM   915  C CG2 . THR A 1 118 ? 24.514  -20.469 -11.210 1.000 32.453 0 118 THR A CG2 1 ? 
ATOM   916  N N   . ARG A 1 119 ? 25.218  -24.219 -9.053  1.000 32.458 0 119 ARG A N   1 ? 
ATOM   917  C CA  . ARG A 1 119 ? 25.480  -25.403 -8.254  1.000 32.654 0 119 ARG A CA  1 ? 
ATOM   918  C C   . ARG A 1 119 ? 25.343  -25.080 -6.766  1.000 34.735 0 119 ARG A C   1 ? 
ATOM   919  O O   . ARG A 1 119 ? 25.513  -23.927 -6.342  1.000 37.340 0 119 ARG A O   1 ? 
ATOM   920  C CB  . ARG A 1 119 ? 26.887  -25.964 -8.566  1.000 40.264 0 119 ARG A CB  1 ? 
ATOM   921  C CG  . ARG A 1 119 ? 28.039  -24.988 -8.785  0.300 45.179 0 119 ARG A CG  1 ? 
ATOM   922  C CD  . ARG A 1 119 ? 29.029  -25.472 -9.862  0.600 50.301 0 119 ARG A CD  1 ? 
ATOM   923  N NE  . ARG A 1 119 ? 29.839  -26.618 -9.426  0.580 54.916 0 119 ARG A NE  1 ? 
ATOM   924  C CZ  . ARG A 1 119 ? 30.946  -26.551 -8.687  0.260 55.198 0 119 ARG A CZ  1 ? 
ATOM   925  N NH1 . ARG A 1 119 ? 31.569  -25.402 -8.492  0.700 55.155 0 119 ARG A NH1 1 ? 
ATOM   926  N NH2 . ARG A 1 119 ? 31.461  -27.655 -8.181  0.370 54.797 0 119 ARG A NH2 1 ? 
ATOM   927  N N   . GLY A 1 120 ? 24.966  -26.088 -5.975  1.000 32.009 0 120 GLY A N   1 ? 
ATOM   928  C CA  . GLY A 1 120 ? 25.251  -26.033 -4.553  1.000 31.604 0 120 GLY A CA  1 ? 
ATOM   929  C C   . GLY A 1 120 ? 24.039  -25.949 -3.618  1.000 34.431 0 120 GLY A C   1 ? 
ATOM   930  O O   . GLY A 1 120 ? 24.244  -25.679 -2.447  1.000 36.239 0 120 GLY A O   1 ? 
ATOM   931  N N   . CYS A 1 121 ? 22.808  -26.132 -4.126  1.000 28.418 0 121 CYS A N   1 ? 
ATOM   932  C CA  . CYS A 1 121 ? 21.629  -26.289 -3.290  1.000 28.213 0 121 CYS A CA  1 ? 
ATOM   933  C C   . CYS A 1 121 ? 20.525  -26.935 -4.136  1.000 30.700 0 121 CYS A C   1 ? 
ATOM   934  O O   . CYS A 1 121 ? 20.670  -27.048 -5.353  1.000 33.262 0 121 CYS A O   1 ? 
ATOM   935  C CB  . CYS A 1 121 ? 21.160  -24.956 -2.721  1.000 27.924 0 121 CYS A CB  1 ? 
ATOM   936  S SG  . CYS A 1 121 ? 21.043  -23.695 -4.004  1.000 27.042 0 121 CYS A SG  1 ? 
ATOM   937  N N   . ARG A 1 122 ? 19.414  -27.230 -3.469  1.000 30.580 0 122 ARG A N   1 ? 
ATOM   938  C CA  A ARG A 1 122 ? 18.271  -27.924 -4.038  0.450 30.338 0 122 ARG A CA  1 ? 
ATOM   939  C CA  B ARG A 1 122 ? 18.282  -27.921 -4.065  0.550 31.438 0 122 ARG A CA  1 ? 
ATOM   940  C C   . ARG A 1 122 ? 17.191  -26.894 -4.374  1.000 25.309 0 122 ARG A C   1 ? 
ATOM   941  O O   . ARG A 1 122 ? 17.248  -25.769 -3.897  1.000 26.475 0 122 ARG A O   1 ? 
ATOM   942  C CB  A ARG A 1 122 ? 17.767  -28.947 -3.012  0.450 33.900 0 122 ARG A CB  1 ? 
ATOM   943  C CB  B ARG A 1 122 ? 17.729  -29.018 -3.145  0.550 36.781 0 122 ARG A CB  1 ? 
ATOM   944  C CG  A ARG A 1 122 ? 17.076  -28.373 -1.781  0.450 36.244 0 122 ARG A CG  1 ? 
ATOM   945  C CG  B ARG A 1 122 ? 16.914  -28.567 -1.939  0.550 40.619 0 122 ARG A CG  1 ? 
ATOM   946  C CD  A ARG A 1 122 ? 17.066  -29.335 -0.586  0.450 39.285 0 122 ARG A CD  1 ? 
ATOM   947  C CD  B ARG A 1 122 ? 16.133  -29.716 -1.301  0.550 43.392 0 122 ARG A CD  1 ? 
ATOM   948  N NE  A ARG A 1 122 ? 16.537  -28.711 0.636   0.450 39.948 0 122 ARG A NE  1 ? 
ATOM   949  N NE  B ARG A 1 122 ? 15.359  -29.274 -0.132  0.550 50.790 0 122 ARG A NE  1 ? 
ATOM   950  C CZ  A ARG A 1 122 ? 17.259  -28.332 1.688   0.450 43.506 0 122 ARG A CZ  1 ? 
ATOM   951  C CZ  B ARG A 1 122 ? 14.030  -29.172 -0.051  0.550 48.792 0 122 ARG A CZ  1 ? 
ATOM   952  N NH1 A ARG A 1 122 ? 18.540  -28.629 1.752   0.450 41.653 0 122 ARG A NH1 1 ? 
ATOM   953  N NH1 B ARG A 1 122 ? 13.272  -29.399 -1.107  0.550 48.792 0 122 ARG A NH1 1 ? 
ATOM   954  N NH2 A ARG A 1 122 ? 16.693  -27.677 2.690   0.450 43.676 0 122 ARG A NH2 1 ? 
ATOM   955  N NH2 B ARG A 1 122 ? 13.459  -28.825 1.089   0.550 51.783 0 122 ARG A NH2 1 ? 
ATOM   956  N N   . GLY A 1 123 ? 16.269  -27.275 -5.229  1.000 23.346 0 123 GLY A N   1 ? 
ATOM   957  C CA  . GLY A 1 123 ? 15.107  -26.445 -5.475  1.000 20.304 0 123 GLY A CA  1 ? 
ATOM   958  C C   . GLY A 1 123 ? 13.954  -26.862 -4.567  1.000 22.494 0 123 GLY A C   1 ? 
ATOM   959  O O   . GLY A 1 123 ? 14.004  -27.870 -3.842  1.000 24.415 0 123 GLY A O   1 ? 
ATOM   960  N N   . VAL A 1 124 ? 12.863  -26.114 -4.663  1.000 20.351 0 124 VAL A N   1 ? 
ATOM   961  C CA  . VAL A 1 124 ? 11.630  -26.477 -3.962  1.000 21.874 0 124 VAL A CA  1 ? 
ATOM   962  C C   . VAL A 1 124 ? 10.466  -26.366 -4.937  1.000 20.065 0 124 VAL A C   1 ? 
ATOM   963  O O   . VAL A 1 124 ? 10.540  -25.626 -5.931  1.000 19.708 0 124 VAL A O   1 ? 
ATOM   964  C CB  . VAL A 1 124 ? 11.421  -25.601 -2.718  1.000 24.133 0 124 VAL A CB  1 ? 
ATOM   965  C CG1 . VAL A 1 124 ? 12.330  -26.085 -1.571  1.000 29.031 0 124 VAL A CG1 1 ? 
ATOM   966  C CG2 . VAL A 1 124 ? 11.603  -24.149 -3.026  1.000 27.699 0 124 VAL A CG2 1 ? 
ATOM   967  N N   . ARG A 1 125 ? 9.387   -27.109 -4.665  1.000 18.974 0 125 ARG A N   1 ? 
ATOM   968  C CA  . ARG A 1 125 ? 8.252   -27.162 -5.565  1.000 19.427 0 125 ARG A CA  1 ? 
ATOM   969  C C   . ARG A 1 125 ? 6.955   -27.305 -4.769  1.000 19.611 0 125 ARG A C   1 ? 
ATOM   970  O O   . ARG A 1 125 ? 6.915   -27.942 -3.712  1.000 20.582 0 125 ARG A O   1 ? 
ATOM   971  C CB  . ARG A 1 125 ? 8.502   -28.352 -6.480  1.000 23.530 0 125 ARG A CB  1 ? 
ATOM   972  C CG  . ARG A 1 125 ? 7.373   -28.631 -7.449  1.000 27.332 0 125 ARG A CG  1 ? 
ATOM   973  C CD  . ARG A 1 125 ? 7.708   -29.878 -8.306  1.000 28.502 0 125 ARG A CD  1 ? 
ATOM   974  N NE  . ARG A 1 125 ? 8.839   -29.601 -9.196  1.000 30.419 0 125 ARG A NE  1 ? 
ATOM   975  C CZ  . ARG A 1 125 ? 9.161   -30.307 -10.277 1.000 38.921 0 125 ARG A CZ  1 ? 
ATOM   976  N NH1 . ARG A 1 125 ? 8.370   -31.278 -10.701 1.000 47.923 0 125 ARG A NH1 1 ? 
ATOM   977  N NH2 . ARG A 1 125 ? 10.250  -30.010 -10.948 1.000 39.867 0 125 ARG A NH2 1 ? 
ATOM   978  N N   . CYS A 1 126 ? 5.923   -26.649 -5.272  1.000 16.876 0 126 CYS A N   1 ? 
ATOM   979  C CA  . CYS A 1 126 ? 4.543   -26.904 -4.875  1.000 16.515 0 126 CYS A CA  1 ? 
ATOM   980  C C   . CYS A 1 126 ? 3.727   -27.036 -6.145  1.000 17.900 0 126 CYS A C   1 ? 
ATOM   981  O O   . CYS A 1 126 ? 3.339   -26.027 -6.756  1.000 17.776 0 126 CYS A O   1 ? 
ATOM   982  C CB  . CYS A 1 126 ? 4.010   -25.815 -3.969  1.000 16.326 0 126 CYS A CB  1 ? 
ATOM   983  S SG  . CYS A 1 126 ? 2.280   -26.086 -3.496  1.000 17.759 0 126 CYS A SG  1 ? 
ATOM   984  N N   . ALA A 1 127 ? 3.429   -28.293 -6.494  1.000 18.643 0 127 ALA A N   1 ? 
ATOM   985  C CA  . ALA A 1 127 ? 2.795   -28.569 -7.776  1.000 21.083 0 127 ALA A CA  1 ? 
ATOM   986  C C   . ALA A 1 127 ? 1.538   -29.415 -7.661  1.000 24.145 0 127 ALA A C   1 ? 
ATOM   987  O O   . ALA A 1 127 ? 0.983   -29.834 -8.664  1.000 28.532 0 127 ALA A O   1 ? 
ATOM   988  C CB  . ALA A 1 127 ? 3.747   -29.251 -8.712  1.000 22.459 0 127 ALA A CB  1 ? 
ATOM   989  N N   . ALA A 1 128 ? 1.030   -29.599 -6.463  1.000 21.377 0 128 ALA A N   1 ? 
ATOM   990  C CA  . ALA A 1 128 ? -0.192  -30.352 -6.291  1.000 22.706 0 128 ALA A CA  1 ? 
ATOM   991  C C   . ALA A 1 128 ? -1.391  -29.527 -6.736  1.000 22.039 0 128 ALA A C   1 ? 
ATOM   992  O O   . ALA A 1 128 ? -1.354  -28.300 -6.884  1.000 21.139 0 128 ALA A O   1 ? 
ATOM   993  C CB  . ALA A 1 128 ? -0.289  -30.708 -4.835  1.000 25.652 0 128 ALA A CB  1 ? 
ATOM   994  N N   . ASP A 1 129 ? -2.545  -30.197 -6.884  1.000 22.076 0 129 ASP A N   1 ? 
ATOM   995  C CA  . ASP A 1 129 ? -3.743  -29.530 -7.330  1.000 23.413 0 129 ASP A CA  1 ? 
ATOM   996  C C   . ASP A 1 129 ? -4.509  -28.924 -6.149  1.000 20.806 0 129 ASP A C   1 ? 
ATOM   997  O O   . ASP A 1 129 ? -5.554  -29.380 -5.707  1.000 21.206 0 129 ASP A O   1 ? 
ATOM   998  C CB  . ASP A 1 129 ? -4.679  -30.457 -8.074  1.000 26.377 0 129 ASP A CB  1 ? 
ATOM   999  C CG  . ASP A 1 129 ? -5.881  -29.777 -8.700  1.000 25.863 0 129 ASP A CG  1 ? 
ATOM   1000 O OD1 . ASP A 1 129 ? -5.893  -28.533 -8.868  1.000 26.230 0 129 ASP A OD1 1 ? 
ATOM   1001 O OD2 . ASP A 1 129 ? -6.817  -30.537 -9.036  1.000 35.996 0 129 ASP A OD2 1 ? 
ATOM   1002 N N   . ILE A 1 130 ? -3.901  -27.874 -5.591  1.000 17.890 0 130 ILE A N   1 ? 
ATOM   1003 C CA  . ILE A 1 130 ? -4.493  -27.226 -4.428  1.000 17.906 0 130 ILE A CA  1 ? 
ATOM   1004 C C   . ILE A 1 130 ? -5.799  -26.563 -4.793  1.000 17.786 0 130 ILE A C   1 ? 
ATOM   1005 O O   . ILE A 1 130 ? -6.705  -26.506 -3.976  1.000 19.363 0 130 ILE A O   1 ? 
ATOM   1006 C CB  . ILE A 1 130 ? -3.460  -26.282 -3.815  1.000 16.959 0 130 ILE A CB  1 ? 
ATOM   1007 C CG1 . ILE A 1 130 ? -2.387  -27.082 -3.093  1.000 19.372 0 130 ILE A CG1 1 ? 
ATOM   1008 C CG2 . ILE A 1 130 ? -4.143  -25.241 -2.928  1.000 18.141 0 130 ILE A CG2 1 ? 
ATOM   1009 C CD1 . ILE A 1 130 ? -1.282  -26.273 -2.477  1.000 21.527 0 130 ILE A CD1 1 ? 
ATOM   1010 N N   . VAL A 1 131 ? -5.954  -25.981 -5.990  1.000 15.837 0 131 VAL A N   1 ? 
ATOM   1011 C CA  . VAL A 1 131 ? -7.186  -25.337 -6.337  1.000 16.423 0 131 VAL A CA  1 ? 
ATOM   1012 C C   . VAL A 1 131 ? -8.321  -26.351 -6.408  1.000 19.329 0 131 VAL A C   1 ? 
ATOM   1013 O O   . VAL A 1 131 ? -9.420  -26.054 -5.884  1.000 20.669 0 131 VAL A O   1 ? 
ATOM   1014 C CB  . VAL A 1 131 ? -7.060  -24.504 -7.621  1.000 20.083 0 131 VAL A CB  1 ? 
ATOM   1015 C CG1 . VAL A 1 131 ? -8.371  -23.837 -7.964  1.000 24.592 0 131 VAL A CG1 1 ? 
ATOM   1016 C CG2 . VAL A 1 131 ? -6.021  -23.413 -7.434  1.000 22.030 0 131 VAL A CG2 1 ? 
ATOM   1017 N N   . GLY A 1 132 ? -8.030  -27.483 -7.044  1.000 18.698 0 132 GLY A N   1 ? 
ATOM   1018 C CA  . GLY A 1 132 ? -9.060  -28.504 -7.207  1.000 19.120 0 132 GLY A CA  1 ? 
ATOM   1019 C C   . GLY A 1 132 ? -9.541  -29.037 -5.855  1.000 21.999 0 132 GLY A C   1 ? 
ATOM   1020 O O   . GLY A 1 132 ? -10.732 -29.378 -5.686  1.000 22.062 0 132 GLY A O   1 ? 
ATOM   1021 N N   . GLN A 1 133 ? -8.623  -29.136 -4.905  1.000 18.698 0 133 GLN A N   1 ? 
ATOM   1022 C CA  . GLN A 1 133 ? -8.904  -29.790 -3.629  1.000 20.302 0 133 GLN A CA  1 ? 
ATOM   1023 C C   . GLN A 1 133 ? -9.275  -28.787 -2.515  1.000 19.605 0 133 GLN A C   1 ? 
ATOM   1024 O O   . GLN A 1 133 ? -9.600  -29.188 -1.408  1.000 19.738 0 133 GLN A O   1 ? 
ATOM   1025 C CB  . GLN A 1 133 ? -7.706  -30.609 -3.161  1.000 20.731 0 133 GLN A CB  1 ? 
ATOM   1026 C CG  . GLN A 1 133 ? -7.259  -31.748 -4.074  1.000 23.098 0 133 GLN A CG  1 ? 
ATOM   1027 C CD  . GLN A 1 133 ? -8.300  -32.830 -4.222  1.000 30.758 0 133 GLN A CD  1 ? 
ATOM   1028 O OE1 . GLN A 1 133 ? -9.404  -32.769 -3.677  1.000 28.858 0 133 GLN A OE1 1 ? 
ATOM   1029 N NE2 . GLN A 1 133 ? -7.983  -33.822 -5.043  1.000 37.156 0 133 GLN A NE2 1 ? 
ATOM   1030 N N   . CYS A 1 134 ? -9.246  -27.499 -2.822  1.000 16.876 0 134 CYS A N   1 ? 
ATOM   1031 C CA  . CYS A 1 134 ? -9.387  -26.394 -1.879  1.000 16.032 0 134 CYS A CA  1 ? 
ATOM   1032 C C   . CYS A 1 134 ? -10.660 -26.583 -1.058  1.000 18.486 0 134 CYS A C   1 ? 
ATOM   1033 O O   . CYS A 1 134 ? -11.730 -26.748 -1.616  1.000 19.684 0 134 CYS A O   1 ? 
ATOM   1034 C CB  . CYS A 1 134 ? -9.420  -25.092 -2.649  1.000 16.028 0 134 CYS A CB  1 ? 
ATOM   1035 S SG  . CYS A 1 134 ? -9.380  -23.607 -1.633  1.000 16.449 0 134 CYS A SG  1 ? 
ATOM   1036 N N   . PRO A 1 135 ? -10.565 -26.420 0.278   1.000 18.336 0 135 PRO A N   1 ? 
ATOM   1037 C CA  . PRO A 1 135 ? -11.761 -26.418 1.122   1.000 22.894 0 135 PRO A CA  1 ? 
ATOM   1038 C C   . PRO A 1 135 ? -12.744 -25.380 0.643   1.000 20.395 0 135 PRO A C   1 ? 
ATOM   1039 O O   . PRO A 1 135 ? -12.397 -24.249 0.295   1.000 19.470 0 135 PRO A O   1 ? 
ATOM   1040 C CB  . PRO A 1 135 ? -11.208 -26.079 2.502   1.000 24.163 0 135 PRO A CB  1 ? 
ATOM   1041 C CG  . PRO A 1 135 ? -9.786  -26.492 2.495   1.000 23.146 0 135 PRO A CG  1 ? 
ATOM   1042 C CD  . PRO A 1 135 ? -9.329  -26.291 1.060   1.000 19.923 0 135 PRO A CD  1 ? 
ATOM   1043 N N   . ALA A 1 136 ? -14.059 -25.678 0.734   1.000 23.305 0 136 ALA A N   1 ? 
ATOM   1044 C CA  . ALA A 1 136 ? -15.041 -24.750 0.225   1.000 23.614 0 136 ALA A CA  1 ? 
ATOM   1045 C C   . ALA A 1 136 ? -14.908 -23.328 0.794   1.000 20.128 0 136 ALA A C   1 ? 
ATOM   1046 O O   . ALA A 1 136 ? -15.067 -22.355 0.073   1.000 23.533 0 136 ALA A O   1 ? 
ATOM   1047 C CB  . ALA A 1 136 ? -16.427 -25.318 0.571   1.000 29.164 0 136 ALA A CB  1 ? 
ATOM   1048 N N   . LYS A 1 137 ? -14.609 -23.187 2.081   1.000 19.566 0 137 LYS A N   1 ? 
ATOM   1049 C CA  . LYS A 1 137 ? -14.578 -21.850 2.625   1.000 19.386 0 137 LYS A CA  1 ? 
ATOM   1050 C C   . LYS A 1 137 ? -13.367 -21.029 2.152   1.000 19.073 0 137 LYS A C   1 ? 
ATOM   1051 O O   . LYS A 1 137 ? -13.373 -19.810 2.290   1.000 21.984 0 137 LYS A O   1 ? 
ATOM   1052 C CB  . LYS A 1 137 ? -14.598 -21.900 4.153   1.000 23.791 0 137 LYS A CB  1 ? 
ATOM   1053 C CG  . LYS A 1 137 ? -16.001 -22.302 4.668   1.000 27.111 0 137 LYS A CG  1 ? 
ATOM   1054 C CD  . LYS A 1 137 ? -16.088 -22.282 6.179   1.000 35.015 0 137 LYS A CD  1 ? 
ATOM   1055 C CE  . LYS A 1 137 ? -17.528 -22.514 6.583   1.000 43.327 0 137 LYS A CE  1 ? 
ATOM   1056 N NZ  . LYS A 1 137 ? -17.613 -22.715 8.035   1.000 48.737 0 137 LYS A NZ  1 ? 
ATOM   1057 N N   . LEU A 1 138 ? -12.353 -21.676 1.588   1.000 17.545 0 138 LEU A N   1 ? 
ATOM   1058 C CA  . LEU A 1 138 ? -11.137 -20.961 1.150   1.000 15.819 0 138 LEU A CA  1 ? 
ATOM   1059 C C   . LEU A 1 138 ? -11.150 -20.718 -0.360  1.000 17.289 0 138 LEU A C   1 ? 
ATOM   1060 O O   . LEU A 1 138 ? -10.261 -20.036 -0.867  1.000 18.068 0 138 LEU A O   1 ? 
ATOM   1061 C CB  . LEU A 1 138 ? -9.903  -21.764 1.510   1.000 15.807 0 138 LEU A CB  1 ? 
ATOM   1062 C CG  . LEU A 1 138 ? -9.651  -22.026 2.995   1.000 17.668 0 138 LEU A CG  1 ? 
ATOM   1063 C CD1 . LEU A 1 138 ? -8.337  -22.759 3.146   1.000 18.417 0 138 LEU A CD1 1 ? 
ATOM   1064 C CD2 . LEU A 1 138 ? -9.698  -20.755 3.779   1.000 18.129 0 138 LEU A CD2 1 ? 
ATOM   1065 N N   . LYS A 1 139 ? -12.078 -21.308 -1.091  1.000 16.978 0 139 LYS A N   1 ? 
ATOM   1066 C CA  . LYS A 1 139 ? -12.080 -21.120 -2.527  1.000 19.308 0 139 LYS A CA  1 ? 
ATOM   1067 C C   . LYS A 1 139 ? -12.337 -19.667 -2.910  1.000 20.338 0 139 LYS A C   1 ? 
ATOM   1068 O O   . LYS A 1 139 ? -13.228 -19.021 -2.383  1.000 23.965 0 139 LYS A O   1 ? 
ATOM   1069 C CB  . LYS A 1 139 ? -13.157 -21.983 -3.196  1.000 24.803 0 139 LYS A CB  1 ? 
ATOM   1070 C CG  . LYS A 1 139 ? -12.962 -23.435 -3.121  1.000 31.825 0 139 LYS A CG  1 ? 
ATOM   1071 C CD  . LYS A 1 139 ? -13.956 -24.261 -3.946  1.000 41.043 0 139 LYS A CD  1 ? 
ATOM   1072 C CE  . LYS A 1 139 ? -13.269 -25.447 -4.581  1.000 52.333 0 139 LYS A CE  1 ? 
ATOM   1073 N NZ  . LYS A 1 139 ? -12.216 -25.093 -5.554  1.000 55.288 0 139 LYS A NZ  1 ? 
ATOM   1074 N N   . ALA A 1 140 ? -11.504 -19.146 -3.799  1.000 19.865 0 140 ALA A N   1 ? 
ATOM   1075 C CA  . ALA A 1 140 ? -11.695 -17.786 -4.288  1.000 21.174 0 140 ALA A CA  1 ? 
ATOM   1076 C C   . ALA A 1 140 ? -12.486 -17.820 -5.595  1.000 23.935 0 140 ALA A C   1 ? 
ATOM   1077 O O   . ALA A 1 140 ? -12.119 -18.531 -6.513  1.000 26.224 0 140 ALA A O   1 ? 
ATOM   1078 C CB  . ALA A 1 140 ? -10.336 -17.169 -4.493  1.000 21.881 0 140 ALA A CB  1 ? 
ATOM   1079 N N   . PRO A 1 141 ? -13.550 -17.003 -5.724  1.000 27.223 0 141 PRO A N   1 ? 
ATOM   1080 C CA  . PRO A 1 141 ? -14.395 -17.042 -6.923  1.000 30.812 0 141 PRO A CA  1 ? 
ATOM   1081 C C   . PRO A 1 141 ? -13.642 -16.736 -8.213  1.000 34.186 0 141 PRO A C   1 ? 
ATOM   1082 O O   . PRO A 1 141 ? -13.895 -17.372 -9.241  1.000 36.988 0 141 PRO A O   1 ? 
ATOM   1083 C CB  . PRO A 1 141 ? -15.433 -15.978 -6.595  1.000 32.030 0 141 PRO A CB  1 ? 
ATOM   1084 C CG  . PRO A 1 141 ? -15.491 -15.902 -5.097  1.000 34.034 0 141 PRO A CG  1 ? 
ATOM   1085 C CD  . PRO A 1 141 ? -14.036 -16.074 -4.707  1.000 30.001 0 141 PRO A CD  1 ? 
ATOM   1086 N N   . GLY A 1 142 ? -12.678 -15.807 -8.115  1.000 33.359 0 142 GLY A N   1 ? 
ATOM   1087 C CA  . GLY A 1 142 ? -11.842 -15.436 -9.244  1.000 35.675 0 142 GLY A CA  1 ? 
ATOM   1088 C C   . GLY A 1 142 ? -10.874 -16.541 -9.648  1.000 35.140 0 142 GLY A C   1 ? 
ATOM   1089 O O   . GLY A 1 142 ? -10.279 -16.522 -10.727 1.000 38.659 0 142 GLY A O   1 ? 
ATOM   1090 N N   . GLY A 1 143 ? -10.739 -17.548 -8.789  1.000 32.220 0 143 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 143 ? -9.790  -18.608 -9.024  1.000 28.194 0 143 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 143 ? -8.847  -18.597 -7.813  1.000 23.407 0 143 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 143 ? -8.668  -17.578 -7.120  1.000 27.274 0 143 GLY A O   1 ? 
ATOM   1094 N N   . GLY A 1 144 ? -8.298  -19.749 -7.552  1.000 21.799 0 144 GLY A N   1 ? 
ATOM   1095 C CA  . GLY A 1 144 ? -7.313  -19.906 -6.508  1.000 18.111 0 144 GLY A CA  1 ? 
ATOM   1096 C C   . GLY A 1 144 ? -7.898  -20.365 -5.184  1.000 16.825 0 144 GLY A C   1 ? 
ATOM   1097 O O   . GLY A 1 144 ? -9.108  -20.584 -5.047  1.000 18.120 0 144 GLY A O   1 ? 
ATOM   1098 N N   . CYS A 1 145 ? -7.001  -20.541 -4.241  1.000 14.768 0 145 CYS A N   1 ? 
ATOM   1099 C CA  . CYS A 1 145 ? -7.351  -21.077 -2.913  1.000 14.058 0 145 CYS A CA  1 ? 
ATOM   1100 C C   . CYS A 1 145 ? -6.725  -20.158 -1.882  1.000 14.668 0 145 CYS A C   1 ? 
ATOM   1101 O O   . CYS A 1 145 ? -5.500  -20.052 -1.805  1.000 14.519 0 145 CYS A O   1 ? 
ATOM   1102 C CB  . CYS A 1 145 ? -6.789  -22.482 -2.742  1.000 14.266 0 145 CYS A CB  1 ? 
ATOM   1103 S SG  . CYS A 1 145 ? -7.389  -23.330 -1.267  1.000 15.896 0 145 CYS A SG  1 ? 
ATOM   1104 N N   . ASN A 1 146 ? -7.560  -19.366 -1.202  1.000 14.223 0 146 ASN A N   1 ? 
ATOM   1105 C CA  . ASN A 1 146 ? -7.073  -18.395 -0.254  1.000 14.314 0 146 ASN A CA  1 ? 
ATOM   1106 C C   . ASN A 1 146 ? -6.518  -19.051 0.986   1.000 14.461 0 146 ASN A C   1 ? 
ATOM   1107 O O   . ASN A 1 146 ? -6.973  -20.138 1.359   1.000 15.374 0 146 ASN A O   1 ? 
ATOM   1108 C CB  . ASN A 1 146 ? -8.216  -17.511 0.215   1.000 16.325 0 146 ASN A CB  1 ? 
ATOM   1109 C CG  . ASN A 1 146 ? -8.648  -16.467 -0.779  1.000 20.959 0 146 ASN A CG  1 ? 
ATOM   1110 O OD1 . ASN A 1 146 ? -7.802  -15.769 -1.317  1.000 23.697 0 146 ASN A OD1 1 ? 
ATOM   1111 N ND2 . ASN A 1 146 ? -9.960  -16.382 -0.999  1.000 26.859 0 146 ASN A ND2 1 ? 
ATOM   1112 N N   . ASP A 1 147 ? -5.579  -18.386 1.640   1.000 13.554 0 147 ASP A N   1 ? 
ATOM   1113 C CA  . ASP A 1 147 ? -5.212  -18.768 3.001   1.000 13.197 0 147 ASP A CA  1 ? 
ATOM   1114 C C   . ASP A 1 147 ? -6.291  -18.303 3.989   1.000 12.617 0 147 ASP A C   1 ? 
ATOM   1115 O O   . ASP A 1 147 ? -7.097  -17.387 3.718   1.000 13.860 0 147 ASP A O   1 ? 
ATOM   1116 C CB  . ASP A 1 147 ? -3.901  -18.098 3.347   1.000 14.028 0 147 ASP A CB  1 ? 
ATOM   1117 C CG  . ASP A 1 147 ? -4.020  -16.603 3.408   1.000 15.521 0 147 ASP A CG  1 ? 
ATOM   1118 O OD1 . ASP A 1 147 ? -4.136  -15.980 2.334   1.000 15.102 0 147 ASP A OD1 1 ? 
ATOM   1119 O OD2 . ASP A 1 147 ? -4.117  -16.078 4.551   1.000 15.406 0 147 ASP A OD2 1 ? 
ATOM   1120 N N   . ALA A 1 148 ? -6.269  -18.912 5.168   1.000 13.214 0 148 ALA A N   1 ? 
ATOM   1121 C CA  . ALA A 1 148 ? -7.301  -18.648 6.155   1.000 13.613 0 148 ALA A CA  1 ? 
ATOM   1122 C C   . ALA A 1 148 ? -7.165  -17.259 6.765   1.000 12.831 0 148 ALA A C   1 ? 
ATOM   1123 O O   . ALA A 1 148 ? -8.153  -16.728 7.279   1.000 14.548 0 148 ALA A O   1 ? 
ATOM   1124 C CB  . ALA A 1 148 ? -7.173  -19.706 7.258   1.000 14.417 0 148 ALA A CB  1 ? 
ATOM   1125 N N   . CYS A 1 149 ? -5.969  -16.674 6.851   1.000 13.738 0 149 CYS A N   1 ? 
ATOM   1126 C CA  . CYS A 1 149 ? -5.811  -15.327 7.373   1.000 13.075 0 149 CYS A CA  1 ? 
ATOM   1127 C C   . CYS A 1 149 ? -6.544  -14.318 6.491   1.000 14.411 0 149 CYS A C   1 ? 
ATOM   1128 O O   . CYS A 1 149 ? -7.375  -13.519 6.947   1.000 15.686 0 149 CYS A O   1 ? 
ATOM   1129 C CB  . CYS A 1 149 ? -4.349  -14.989 7.542   1.000 15.252 0 149 CYS A CB  1 ? 
ATOM   1130 S SG  . CYS A 1 149 ? -4.043  -13.228 7.894   1.000 16.213 0 149 CYS A SG  1 ? 
ATOM   1131 N N   . THR A 1 150 ? -6.318  -14.419 5.179   1.000 13.784 0 150 THR A N   1 ? 
ATOM   1132 C CA  . THR A 1 150 ? -7.016  -13.583 4.215   1.000 14.403 0 150 THR A CA  1 ? 
ATOM   1133 C C   . THR A 1 150 ? -8.523  -13.690 4.383   1.000 14.476 0 150 THR A C   1 ? 
ATOM   1134 O O   . THR A 1 150 ? -9.241  -12.698 4.366   1.000 17.891 0 150 THR A O   1 ? 
ATOM   1135 C CB  . THR A 1 150 ? -6.625  -13.997 2.797   1.000 15.126 0 150 THR A CB  1 ? 
ATOM   1136 O OG1 . THR A 1 150 ? -5.245  -13.656 2.655   1.000 16.210 0 150 THR A OG1 1 ? 
ATOM   1137 C CG2 . THR A 1 150 ? -7.452  -13.254 1.760   1.000 17.359 0 150 THR A CG2 1 ? 
ATOM   1138 N N   . VAL A 1 151 ? -9.047  -14.911 4.533   1.000 13.882 0 151 VAL A N   1 ? 
ATOM   1139 C CA  . VAL A 1 151 ? -10.485 -15.123 4.594   1.000 14.513 0 151 VAL A CA  1 ? 
ATOM   1140 C C   . VAL A 1 151 ? -11.094 -14.679 5.936   1.000 15.681 0 151 VAL A C   1 ? 
ATOM   1141 O O   . VAL A 1 151 ? -12.071 -13.938 5.943   1.000 17.831 0 151 VAL A O   1 ? 
ATOM   1142 C CB  . VAL A 1 151 ? -10.851 -16.581 4.294   1.000 16.543 0 151 VAL A CB  1 ? 
ATOM   1143 C CG1 . VAL A 1 151 ? -12.331 -16.846 4.500   1.000 17.436 0 151 VAL A CG1 1 ? 
ATOM   1144 C CG2 . VAL A 1 151 ? -10.425 -16.951 2.867   1.000 17.965 0 151 VAL A CG2 1 ? 
ATOM   1145 N N   . PHE A 1 152 ? -10.507 -15.098 7.049   1.000 14.990 0 152 PHE A N   1 ? 
ATOM   1146 C CA  . PHE A 1 152 ? -11.184 -14.959 8.344   1.000 14.920 0 152 PHE A CA  1 ? 
ATOM   1147 C C   . PHE A 1 152 ? -10.640 -13.835 9.198   1.000 15.696 0 152 PHE A C   1 ? 
ATOM   1148 O O   . PHE A 1 152 ? -11.297 -13.388 10.147  1.000 16.429 0 152 PHE A O   1 ? 
ATOM   1149 C CB  . PHE A 1 152 ? -11.112 -16.281 9.084   1.000 15.221 0 152 PHE A CB  1 ? 
ATOM   1150 C CG  . PHE A 1 152 ? -11.913 -17.370 8.423   1.000 15.076 0 152 PHE A CG  1 ? 
ATOM   1151 C CD1 . PHE A 1 152 ? -13.311 -17.367 8.454   1.000 16.137 0 152 PHE A CD1 1 ? 
ATOM   1152 C CD2 . PHE A 1 152 ? -11.281 -18.401 7.769   1.000 17.263 0 152 PHE A CD2 1 ? 
ATOM   1153 C CE1 . PHE A 1 152 ? -14.018 -18.385 7.868   1.000 18.833 0 152 PHE A CE1 1 ? 
ATOM   1154 C CE2 . PHE A 1 152 ? -12.021 -19.412 7.163   1.000 18.387 0 152 PHE A CE2 1 ? 
ATOM   1155 C CZ  . PHE A 1 152 ? -13.373 -19.385 7.201   1.000 18.164 0 152 PHE A CZ  1 ? 
ATOM   1156 N N   . GLN A 1 153 ? -9.397  -13.400 9.001   1.000 14.221 0 153 GLN A N   1 ? 
ATOM   1157 C CA  A GLN A 1 153 ? -8.830  -12.241 9.687   0.740 14.766 0 153 GLN A CA  1 ? 
ATOM   1158 C CA  B GLN A 1 153 ? -8.818  -12.245 9.685   0.260 14.400 0 153 GLN A CA  1 ? 
ATOM   1159 C C   . GLN A 1 153 ? -8.868  -12.428 11.203  1.000 14.465 0 153 GLN A C   1 ? 
ATOM   1160 O O   . GLN A 1 153 ? -9.272  -11.515 11.931  1.000 16.254 0 153 GLN A O   1 ? 
ATOM   1161 C CB  A GLN A 1 153 ? -9.593  -10.975 9.286   0.740 16.002 0 153 GLN A CB  1 ? 
ATOM   1162 C CB  B GLN A 1 153 ? -9.485  -10.922 9.284   0.260 14.422 0 153 GLN A CB  1 ? 
ATOM   1163 C CG  A GLN A 1 153 ? -9.528  -10.683 7.793   0.740 21.792 0 153 GLN A CG  1 ? 
ATOM   1164 C CG  B GLN A 1 153 ? -9.211  -10.491 7.847   0.260 15.365 0 153 GLN A CG  1 ? 
ATOM   1165 C CD  A GLN A 1 153 ? -8.350  -9.818  7.471   0.740 27.143 0 153 GLN A CD  1 ? 
ATOM   1166 C CD  B GLN A 1 153 ? -7.841  -9.893  7.637   0.260 17.306 0 153 GLN A CD  1 ? 
ATOM   1167 O OE1 A GLN A 1 153 ? -8.457  -8.586  7.506   0.740 25.915 0 153 GLN A OE1 1 ? 
ATOM   1168 O OE1 B GLN A 1 153 ? -7.557  -8.732  7.977   0.260 17.236 0 153 GLN A OE1 1 ? 
ATOM   1169 N NE2 A GLN A 1 153 ? -7.205  -10.445 7.253   0.740 33.550 0 153 GLN A NE2 1 ? 
ATOM   1170 N NE2 B GLN A 1 153 ? -6.984  -10.676 7.001   0.260 19.165 0 153 GLN A NE2 1 ? 
ATOM   1171 N N   . THR A 1 154 ? -8.406  -13.578 11.695  1.000 14.008 0 154 THR A N   1 ? 
ATOM   1172 C CA  . THR A 1 154 ? -8.262  -13.824 13.130  1.000 14.321 0 154 THR A CA  1 ? 
ATOM   1173 C C   . THR A 1 154 ? -6.798  -13.752 13.528  1.000 15.534 0 154 THR A C   1 ? 
ATOM   1174 O O   . THR A 1 154 ? -5.884  -14.016 12.746  1.000 15.341 0 154 THR A O   1 ? 
ATOM   1175 C CB  . THR A 1 154 ? -8.859  -15.172 13.556  1.000 14.786 0 154 THR A CB  1 ? 
ATOM   1176 O OG1 . THR A 1 154 ? -8.040  -16.195 13.021  1.000 15.956 0 154 THR A OG1 1 ? 
ATOM   1177 C CG2 . THR A 1 154 ? -10.295 -15.339 13.123  1.000 18.209 0 154 THR A CG2 1 ? 
ATOM   1178 N N   . SER A 1 155 ? -6.574  -13.528 14.824  1.000 14.346 0 155 SER A N   1 ? 
ATOM   1179 C CA  A SER A 1 155 ? -5.251  -13.528 15.398  0.710 14.936 0 155 SER A CA  1 ? 
ATOM   1180 C CA  B SER A 1 155 ? -5.238  -13.515 15.383  0.290 15.032 0 155 SER A CA  1 ? 
ATOM   1181 C C   . SER A 1 155 ? -4.571  -14.872 15.192  1.000 15.184 0 155 SER A C   1 ? 
ATOM   1182 O O   . SER A 1 155 ? -3.382  -14.938 14.925  1.000 17.441 0 155 SER A O   1 ? 
ATOM   1183 C CB  A SER A 1 155 ? -5.311  -13.169 16.859  0.710 17.870 0 155 SER A CB  1 ? 
ATOM   1184 C CB  B SER A 1 155 ? -5.257  -13.110 16.835  0.290 16.241 0 155 SER A CB  1 ? 
ATOM   1185 O OG  A SER A 1 155 ? -5.684  -11.810 17.035  0.710 21.349 0 155 SER A OG  1 ? 
ATOM   1186 O OG  B SER A 1 155 ? -6.006  -14.033 17.611  0.290 17.334 0 155 SER A OG  1 ? 
ATOM   1187 N N   . GLU A 1 156 ? -5.355  -15.955 15.272  1.000 14.737 0 156 GLU A N   1 ? 
ATOM   1188 C CA  . GLU A 1 156 ? -4.789  -17.292 15.171  1.000 13.876 0 156 GLU A CA  1 ? 
ATOM   1189 C C   . GLU A 1 156 ? -4.326  -17.564 13.743  1.000 14.814 0 156 GLU A C   1 ? 
ATOM   1190 O O   . GLU A 1 156 ? -3.219  -18.034 13.549  1.000 16.549 0 156 GLU A O   1 ? 
ATOM   1191 C CB  . GLU A 1 156 ? -5.771  -18.365 15.627  1.000 15.667 0 156 GLU A CB  1 ? 
ATOM   1192 C CG  . GLU A 1 156 ? -5.148  -19.750 15.790  1.000 16.431 0 156 GLU A CG  1 ? 
ATOM   1193 C CD  . GLU A 1 156 ? -4.106  -19.801 16.891  1.000 16.630 0 156 GLU A CD  1 ? 
ATOM   1194 O OE1 . GLU A 1 156 ? -3.975  -18.880 17.733  1.000 17.819 0 156 GLU A OE1 1 ? 
ATOM   1195 O OE2 . GLU A 1 156 ? -3.316  -20.775 16.900  1.000 18.756 0 156 GLU A OE2 1 ? 
ATOM   1196 N N   . TYR A 1 157 ? -5.155  -17.266 12.745  1.000 14.146 0 157 TYR A N   1 ? 
ATOM   1197 C CA  . TYR A 1 157 ? -4.712  -17.573 11.391  1.000 13.703 0 157 TYR A CA  1 ? 
ATOM   1198 C C   . TYR A 1 157 ? -3.602  -16.633 10.909  1.000 14.881 0 157 TYR A C   1 ? 
ATOM   1199 O O   . TYR A 1 157 ? -2.765  -17.029 10.069  1.000 15.871 0 157 TYR A O   1 ? 
ATOM   1200 C CB  . TYR A 1 157 ? -5.880  -17.498 10.417  1.000 13.565 0 157 TYR A CB  1 ? 
ATOM   1201 C CG  . TYR A 1 157 ? -6.969  -18.521 10.627  1.000 14.453 0 157 TYR A CG  1 ? 
ATOM   1202 C CD1 . TYR A 1 157 ? -6.660  -19.844 10.912  1.000 15.810 0 157 TYR A CD1 1 ? 
ATOM   1203 C CD2 . TYR A 1 157 ? -8.281  -18.166 10.626  1.000 13.967 0 157 TYR A CD2 1 ? 
ATOM   1204 C CE1 . TYR A 1 157 ? -7.666  -20.771 11.118  1.000 15.948 0 157 TYR A CE1 1 ? 
ATOM   1205 C CE2 . TYR A 1 157 ? -9.291  -19.085 10.819  1.000 13.808 0 157 TYR A CE2 1 ? 
ATOM   1206 C CZ  . TYR A 1 157 ? -8.975  -20.378 11.102  1.000 13.902 0 157 TYR A CZ  1 ? 
ATOM   1207 O OH  . TYR A 1 157 ? -9.959  -21.284 11.341  1.000 15.206 0 157 TYR A OH  1 ? 
ATOM   1208 N N   . CYS A 1 158 ? -3.658  -15.369 11.323  1.000 14.659 0 158 CYS A N   1 ? 
ATOM   1209 C CA  . CYS A 1 158 ? -2.704  -14.371 10.862  1.000 15.892 0 158 CYS A CA  1 ? 
ATOM   1210 C C   . CYS A 1 158 ? -1.469  -14.295 11.745  1.000 17.868 0 158 CYS A C   1 ? 
ATOM   1211 O O   . CYS A 1 158 ? -0.527  -13.611 11.375  1.000 18.584 0 158 CYS A O   1 ? 
ATOM   1212 C CB  . CYS A 1 158 ? -3.410  -13.022 10.800  1.000 15.540 0 158 CYS A CB  1 ? 
ATOM   1213 S SG  . CYS A 1 158 ? -4.857  -12.977 9.720   1.000 15.744 0 158 CYS A SG  1 ? 
ATOM   1214 N N   . CYS A 1 159 ? -1.486  -14.997 12.891  1.000 16.825 0 159 CYS A N   1 ? 
ATOM   1215 C CA  A CYS A 1 159 ? -0.370  -15.077 13.810  0.590 17.933 0 159 CYS A CA  1 ? 
ATOM   1216 C CA  B CYS A 1 159 ? -0.340  -15.084 13.784  0.410 17.940 0 159 CYS A CA  1 ? 
ATOM   1217 C C   . CYS A 1 159 ? 0.040   -13.691 14.295  1.000 18.778 0 159 CYS A C   1 ? 
ATOM   1218 O O   . CYS A 1 159 ? 1.206   -13.407 14.525  1.000 20.598 0 159 CYS A O   1 ? 
ATOM   1219 C CB  A CYS A 1 159 ? 0.799   -15.786 13.163  0.590 19.051 0 159 CYS A CB  1 ? 
ATOM   1220 C CB  B CYS A 1 159 ? 0.833   -15.776 13.095  0.410 18.559 0 159 CYS A CB  1 ? 
ATOM   1221 S SG  A CYS A 1 159 ? 1.693   -16.741 14.403  0.590 19.690 0 159 CYS A SG  1 ? 
ATOM   1222 S SG  B CYS A 1 159 ? 0.562   -17.541 12.747  0.410 18.875 0 159 CYS A SG  1 ? 
ATOM   1223 N N   . THR A 1 160 ? -0.962  -12.868 14.590  1.000 20.015 0 160 THR A N   1 ? 
ATOM   1224 C CA  . THR A 1 160 ? -0.814  -11.478 14.967  1.000 20.225 0 160 THR A CA  1 ? 
ATOM   1225 C C   . THR A 1 160 ? -0.026  -11.294 16.270  1.000 26.311 0 160 THR A C   1 ? 
ATOM   1226 O O   . THR A 1 160 ? 0.682   -10.294 16.377  1.000 31.626 0 160 THR A O   1 ? 
ATOM   1227 C CB  . THR A 1 160 ? -2.233  -10.901 15.099  1.000 23.322 0 160 THR A CB  1 ? 
ATOM   1228 O OG1 . THR A 1 160 ? -2.888  -11.131 13.867  1.000 26.865 0 160 THR A OG1 1 ? 
ATOM   1229 C CG2 . THR A 1 160 ? -2.264  -9.403  15.313  1.000 30.315 0 160 THR A CG2 1 ? 
ATOM   1230 N N   . THR A 1 161 ? -0.168  -12.201 17.231  1.000 25.164 0 161 THR A N   1 ? 
ATOM   1231 C CA  . THR A 1 161 ? 0.503   -12.025 18.519  1.000 30.435 0 161 THR A CA  1 ? 
ATOM   1232 C C   . THR A 1 161 ? 1.903   -12.624 18.448  1.000 36.434 0 161 THR A C   1 ? 
ATOM   1233 O O   . THR A 1 161 ? 2.666   -12.472 19.397  1.000 36.188 0 161 THR A O   1 ? 
ATOM   1234 C CB  . THR A 1 161 ? -0.297  -12.644 19.654  1.000 32.374 0 161 THR A CB  1 ? 
ATOM   1235 O OG1 . THR A 1 161 ? -0.159  -14.047 19.480  1.000 32.958 0 161 THR A OG1 1 ? 
ATOM   1236 C CG2 . THR A 1 161 ? -1.768  -12.258 19.678  1.000 35.118 0 161 THR A CG2 1 ? 
ATOM   1237 N N   . GLY A 1 162 ? 2.231   -13.322 17.354  1.000 29.569 0 162 GLY A N   1 ? 
ATOM   1238 C CA  . GLY A 1 162 ? 3.499   -14.013 17.229  1.000 32.592 0 162 GLY A CA  1 ? 
ATOM   1239 C C   . GLY A 1 162 ? 3.450   -15.377 17.897  1.000 30.498 0 162 GLY A C   1 ? 
ATOM   1240 O O   . GLY A 1 162 ? 4.437   -16.086 17.944  1.000 33.122 0 162 GLY A O   1 ? 
ATOM   1241 N N   . LYS A 1 163 ? 2.283   -15.733 18.413  1.000 27.996 0 163 LYS A N   1 ? 
ATOM   1242 C CA  . LYS A 1 163 ? 2.015   -17.052 18.918  1.000 32.291 0 163 LYS A CA  1 ? 
ATOM   1243 C C   . LYS A 1 163 ? 0.791   -17.530 18.149  1.000 30.043 0 163 LYS A C   1 ? 
ATOM   1244 O O   . LYS A 1 163 ? -0.256  -16.897 18.101  1.000 33.066 0 163 LYS A O   1 ? 
ATOM   1245 C CB  . LYS A 1 163 ? 1.740   -17.098 20.425  1.000 40.463 0 163 LYS A CB  1 ? 
ATOM   1246 C CG  . LYS A 1 163 ? 2.636   -16.232 21.310  0.750 45.158 0 163 LYS A CG  1 ? 
ATOM   1247 C CD  . LYS A 1 163 ? 3.775   -16.977 22.000  0.600 51.703 0 163 LYS A CD  1 ? 
ATOM   1248 C CE  . LYS A 1 163 ? 4.859   -17.436 21.074  0.830 59.009 0 163 LYS A CE  1 ? 
ATOM   1249 N NZ  . LYS A 1 163 ? 5.743   -18.398 21.744  0.680 64.120 0 163 LYS A NZ  1 ? 
ATOM   1250 N N   . CYS A 1 164 ? 0.978   -18.636 17.481  1.000 24.205 0 164 CYS A N   1 ? 
ATOM   1251 C CA  . CYS A 1 164 ? -0.130  -19.296 16.807  1.000 19.653 0 164 CYS A CA  1 ? 
ATOM   1252 C C   . CYS A 1 164 ? 0.315   -20.725 16.569  1.000 20.924 0 164 CYS A C   1 ? 
ATOM   1253 O O   . CYS A 1 164 ? 1.522   -20.994 16.534  1.000 22.469 0 164 CYS A O   1 ? 
ATOM   1254 C CB  . CYS A 1 164 ? -0.457  -18.619 15.492  1.000 19.796 0 164 CYS A CB  1 ? 
ATOM   1255 S SG  . CYS A 1 164 ? 0.920   -18.565 14.318  1.000 20.986 0 164 CYS A SG  1 ? 
ATOM   1256 N N   . GLY A 1 165 ? -0.645  -21.606 16.271  1.000 18.662 0 165 GLY A N   1 ? 
ATOM   1257 C CA  . GLY A 1 165 ? -0.327  -22.983 15.927  1.000 17.613 0 165 GLY A CA  1 ? 
ATOM   1258 C C   . GLY A 1 165 ? -0.796  -23.293 14.513  1.000 16.793 0 165 GLY A C   1 ? 
ATOM   1259 O O   . GLY A 1 165 ? -1.510  -22.486 13.900  1.000 17.360 0 165 GLY A O   1 ? 
ATOM   1260 N N   . PRO A 1 166 ? -0.502  -24.497 14.021  1.000 16.457 0 166 PRO A N   1 ? 
ATOM   1261 C CA  . PRO A 1 166 ? -1.153  -24.982 12.818  1.000 15.527 0 166 PRO A CA  1 ? 
ATOM   1262 C C   . PRO A 1 166 ? -2.662  -25.075 13.013  1.000 17.073 0 166 PRO A C   1 ? 
ATOM   1263 O O   . PRO A 1 166 ? -3.139  -25.262 14.138  1.000 16.688 0 166 PRO A O   1 ? 
ATOM   1264 C CB  . PRO A 1 166 ? -0.500  -26.358 12.571  1.000 18.911 0 166 PRO A CB  1 ? 
ATOM   1265 C CG  . PRO A 1 166 ? 0.140   -26.728 13.893  1.000 21.645 0 166 PRO A CG  1 ? 
ATOM   1266 C CD  . PRO A 1 166 ? 0.263   -25.513 14.759  1.000 17.519 0 166 PRO A CD  1 ? 
ATOM   1267 N N   . THR A 1 167 ? -3.399  -25.068 11.910  1.000 15.924 0 167 THR A N   1 ? 
ATOM   1268 C CA  . THR A 1 167 ? -4.850  -25.103 11.908  1.000 14.697 0 167 THR A CA  1 ? 
ATOM   1269 C C   . THR A 1 167 ? -5.329  -26.128 10.901  1.000 14.845 0 167 THR A C   1 ? 
ATOM   1270 O O   . THR A 1 167 ? -4.534  -26.608 10.082  1.000 16.318 0 167 THR A O   1 ? 
ATOM   1271 C CB  . THR A 1 167 ? -5.380  -23.714 11.556  1.000 15.420 0 167 THR A CB  1 ? 
ATOM   1272 O OG1 . THR A 1 167 ? -5.039  -23.421 10.183  1.000 15.022 0 167 THR A OG1 1 ? 
ATOM   1273 C CG2 . THR A 1 167 ? -4.853  -22.638 12.483  1.000 15.398 0 167 THR A CG2 1 ? 
ATOM   1274 N N   . GLU A 1 168 ? -6.621  -26.392 10.867  1.000 15.316 0 168 GLU A N   1 ? 
ATOM   1275 C CA  A GLU A 1 168 ? -7.195  -27.284 9.884   0.420 17.014 0 168 GLU A CA  1 ? 
ATOM   1276 C CA  B GLU A 1 168 ? -7.150  -27.309 9.886   0.580 16.169 0 168 GLU A CA  1 ? 
ATOM   1277 C C   . GLU A 1 168 ? -6.822  -26.786 8.488   1.000 15.720 0 168 GLU A C   1 ? 
ATOM   1278 O O   . GLU A 1 168 ? -6.525  -27.561 7.591   1.000 16.780 0 168 GLU A O   1 ? 
ATOM   1279 C CB  A GLU A 1 168 ? -8.718  -27.301 9.992   0.420 20.591 0 168 GLU A CB  1 ? 
ATOM   1280 C CB  B GLU A 1 168 ? -8.640  -27.525 10.124  0.580 18.489 0 168 GLU A CB  1 ? 
ATOM   1281 C CG  A GLU A 1 168 ? -9.317  -28.565 9.381   0.420 26.226 0 168 GLU A CG  1 ? 
ATOM   1282 C CG  B GLU A 1 168 ? -8.918  -28.586 11.183  0.580 23.563 0 168 GLU A CG  1 ? 
ATOM   1283 C CD  A GLU A 1 168 ? -10.463 -28.375 8.404   0.420 35.426 0 168 GLU A CD  1 ? 
ATOM   1284 C CD  B GLU A 1 168 ? -8.135  -29.885 10.991  0.580 25.012 0 168 GLU A CD  1 ? 
ATOM   1285 O OE1 A GLU A 1 168 ? -11.577 -27.899 8.757   0.420 43.797 0 168 GLU A OE1 1 ? 
ATOM   1286 O OE1 B GLU A 1 168 ? -8.572  -30.590 10.045  0.580 32.763 0 168 GLU A OE1 1 ? 
ATOM   1287 O OE2 A GLU A 1 168 ? -10.210 -28.746 7.237   0.420 39.336 0 168 GLU A OE2 1 ? 
ATOM   1288 O OE2 B GLU A 1 168 ? -7.054  -30.147 11.598  0.580 26.019 0 168 GLU A OE2 1 ? 
ATOM   1289 N N   . TYR A 1 169 ? -6.869  -25.468 8.326   1.000 14.417 0 169 TYR A N   1 ? 
ATOM   1290 C CA  . TYR A 1 169 ? -6.609  -24.903 7.015   1.000 14.312 0 169 TYR A CA  1 ? 
ATOM   1291 C C   . TYR A 1 169 ? -5.138  -24.934 6.673   1.000 14.290 0 169 TYR A C   1 ? 
ATOM   1292 O O   . TYR A 1 169 ? -4.833  -25.212 5.502   1.000 15.983 0 169 TYR A O   1 ? 
ATOM   1293 C CB  . TYR A 1 169 ? -7.143  -23.480 6.969   1.000 15.178 0 169 TYR A CB  1 ? 
ATOM   1294 C CG  . TYR A 1 169 ? -8.636  -23.382 7.120   1.000 14.441 0 169 TYR A CG  1 ? 
ATOM   1295 C CD1 . TYR A 1 169 ? -9.506  -24.053 6.269   1.000 16.465 0 169 TYR A CD1 1 ? 
ATOM   1296 C CD2 . TYR A 1 169 ? -9.213  -22.613 8.119   1.000 14.447 0 169 TYR A CD2 1 ? 
ATOM   1297 C CE1 . TYR A 1 169 ? -10.870 -23.913 6.375   1.000 17.836 0 169 TYR A CE1 1 ? 
ATOM   1298 C CE2 . TYR A 1 169 ? -10.579 -22.516 8.280   1.000 15.095 0 169 TYR A CE2 1 ? 
ATOM   1299 C CZ  . TYR A 1 169 ? -11.412 -23.174 7.399   1.000 17.599 0 169 TYR A CZ  1 ? 
ATOM   1300 O OH  . TYR A 1 169 ? -12.770 -23.044 7.582   1.000 18.325 0 169 TYR A OH  1 ? 
ATOM   1301 N N   . SER A 1 170 ? -4.228  -24.604 7.582   1.000 14.130 0 170 SER A N   1 ? 
ATOM   1302 C CA  . SER A 1 170 ? -2.817  -24.644 7.275   1.000 15.315 0 170 SER A CA  1 ? 
ATOM   1303 C C   . SER A 1 170 ? -2.424  -26.079 6.944   1.000 14.930 0 170 SER A C   1 ? 
ATOM   1304 O O   . SER A 1 170 ? -1.596  -26.311 6.028   1.000 15.811 0 170 SER A O   1 ? 
ATOM   1305 C CB  . SER A 1 170 ? -1.944  -24.069 8.329   1.000 15.932 0 170 SER A CB  1 ? 
ATOM   1306 O OG  . SER A 1 170 ? -1.834  -24.918 9.476   1.000 15.597 0 170 SER A OG  1 ? 
ATOM   1307 N N   . ARG A 1 171 ? -3.001  -27.074 7.619   1.000 14.391 0 171 ARG A N   1 ? 
ATOM   1308 C CA  . ARG A 1 171 ? -2.611  -28.457 7.426   1.000 15.944 0 171 ARG A CA  1 ? 
ATOM   1309 C C   . ARG A 1 171 ? -3.058  -28.946 6.060   1.000 15.600 0 171 ARG A C   1 ? 
ATOM   1310 O O   . ARG A 1 171 ? -2.397  -29.860 5.554   1.000 17.529 0 171 ARG A O   1 ? 
ATOM   1311 C CB  . ARG A 1 171 ? -3.227  -29.347 8.522   1.000 18.424 0 171 ARG A CB  1 ? 
ATOM   1312 C CG  . ARG A 1 171 ? -2.528  -29.182 9.849   1.000 20.163 0 171 ARG A CG  1 ? 
ATOM   1313 C CD  . ARG A 1 171 ? -3.260  -30.150 10.814  1.000 21.505 0 171 ARG A CD  1 ? 
ATOM   1314 N NE  . ARG A 1 171 ? -2.733  -29.947 12.152  1.000 23.059 0 171 ARG A NE  1 ? 
ATOM   1315 C CZ  . ARG A 1 171 ? -3.310  -29.222 13.108  1.000 20.758 0 171 ARG A CZ  1 ? 
ATOM   1316 N NH1 . ARG A 1 171 ? -4.516  -28.709 12.949  1.000 25.342 0 171 ARG A NH1 1 ? 
ATOM   1317 N NH2 . ARG A 1 171 ? -2.679  -29.133 14.263  1.000 25.748 0 171 ARG A NH2 1 ? 
ATOM   1318 N N   . PHE A 1 172 ? -4.066  -28.344 5.465   1.000 14.791 0 172 PHE A N   1 ? 
ATOM   1319 C CA  . PHE A 1 172 ? -4.499  -28.671 4.121   1.000 15.192 0 172 PHE A CA  1 ? 
ATOM   1320 C C   . PHE A 1 172 ? -3.342  -28.347 3.169   1.000 16.108 0 172 PHE A C   1 ? 
ATOM   1321 O O   . PHE A 1 172 ? -2.936  -29.156 2.338   1.000 16.670 0 172 PHE A O   1 ? 
ATOM   1322 C CB  . PHE A 1 172 ? -5.789  -27.954 3.787   1.000 17.212 0 172 PHE A CB  1 ? 
ATOM   1323 C CG  . PHE A 1 172 ? -6.014  -27.880 2.302   1.000 17.497 0 172 PHE A CG  1 ? 
ATOM   1324 C CD1 . PHE A 1 172 ? -6.363  -29.014 1.589   1.000 18.345 0 172 PHE A CD1 1 ? 
ATOM   1325 C CD2 . PHE A 1 172 ? -5.732  -26.692 1.621   1.000 18.053 0 172 PHE A CD2 1 ? 
ATOM   1326 C CE1 . PHE A 1 172 ? -6.515  -28.923 0.204   1.000 20.302 0 172 PHE A CE1 1 ? 
ATOM   1327 C CE2 . PHE A 1 172 ? -5.876  -26.640 0.243   1.000 18.476 0 172 PHE A CE2 1 ? 
ATOM   1328 C CZ  . PHE A 1 172 ? -6.277  -27.746 -0.459  1.000 18.855 0 172 PHE A CZ  1 ? 
ATOM   1329 N N   . PHE A 1 173 ? -2.869  -27.091 3.244   1.000 15.596 0 173 PHE A N   1 ? 
ATOM   1330 C CA  . PHE A 1 173 ? -1.803  -26.692 2.358   1.000 14.547 0 173 PHE A CA  1 ? 
ATOM   1331 C C   . PHE A 1 173 ? -0.566  -27.539 2.605   1.000 15.298 0 173 PHE A C   1 ? 
ATOM   1332 O O   . PHE A 1 173 ? 0.116   -27.891 1.667   1.000 16.781 0 173 PHE A O   1 ? 
ATOM   1333 C CB  . PHE A 1 173 ? -1.490  -25.214 2.555   1.000 14.446 0 173 PHE A CB  1 ? 
ATOM   1334 C CG  . PHE A 1 173 ? -2.524  -24.271 2.003   1.000 14.251 0 173 PHE A CG  1 ? 
ATOM   1335 C CD1 . PHE A 1 173 ? -2.524  -23.898 0.679   1.000 15.657 0 173 PHE A CD1 1 ? 
ATOM   1336 C CD2 . PHE A 1 173 ? -3.531  -23.773 2.805   1.000 15.237 0 173 PHE A CD2 1 ? 
ATOM   1337 C CE1 . PHE A 1 173 ? -3.473  -23.004 0.204   1.000 16.736 0 173 PHE A CE1 1 ? 
ATOM   1338 C CE2 . PHE A 1 173 ? -4.488  -22.950 2.324   1.000 16.560 0 173 PHE A CE2 1 ? 
ATOM   1339 C CZ  . PHE A 1 173 ? -4.437  -22.541 1.016   1.000 17.612 0 173 PHE A CZ  1 ? 
ATOM   1340 N N   . LYS A 1 174 ? -0.238  -27.873 3.833   1.000 14.379 0 174 LYS A N   1 ? 
ATOM   1341 C CA  . LYS A 1 174 ? 0.973   -28.578 4.186   1.000 14.507 0 174 LYS A CA  1 ? 
ATOM   1342 C C   . LYS A 1 174 ? 0.913   -30.029 3.732   1.000 16.441 0 174 LYS A C   1 ? 
ATOM   1343 O O   . LYS A 1 174 ? 1.943   -30.554 3.335   1.000 19.107 0 174 LYS A O   1 ? 
ATOM   1344 C CB  . LYS A 1 174 ? 1.208   -28.521 5.700   1.000 16.176 0 174 LYS A CB  1 ? 
ATOM   1345 C CG  . LYS A 1 174 ? 2.632   -28.853 6.121   1.000 18.566 0 174 LYS A CG  1 ? 
ATOM   1346 C CD  . LYS A 1 174 ? 3.655   -27.867 5.565   1.000 20.319 0 174 LYS A CD  1 ? 
ATOM   1347 C CE  . LYS A 1 174 ? 4.983   -28.015 6.239   1.000 21.690 0 174 LYS A CE  1 ? 
ATOM   1348 N NZ  . LYS A 1 174 ? 5.874   -27.002 5.712   1.000 22.069 0 174 LYS A NZ  1 ? 
ATOM   1349 N N   . ARG A 1 175 ? -0.268  -30.639 3.740   1.000 16.690 0 175 ARG A N   1 ? 
ATOM   1350 C CA  . ARG A 1 175 ? -0.427  -32.011 3.284   1.000 18.435 0 175 ARG A CA  1 ? 
ATOM   1351 C C   . ARG A 1 175 ? -0.128  -32.083 1.792   1.000 19.037 0 175 ARG A C   1 ? 
ATOM   1352 O O   . ARG A 1 175 ? 0.509   -33.038 1.350   1.000 20.941 0 175 ARG A O   1 ? 
ATOM   1353 C CB  . ARG A 1 175 ? -1.848  -32.434 3.625   1.000 21.522 0 175 ARG A CB  1 ? 
ATOM   1354 C CG  . ARG A 1 175 ? -2.168  -33.816 3.084   1.000 27.214 0 175 ARG A CG  1 ? 
ATOM   1355 C CD  . ARG A 1 175 ? -3.539  -34.279 3.631   1.000 28.368 0 175 ARG A CD  1 ? 
ATOM   1356 N NE  . ARG A 1 175 ? -4.726  -33.523 3.200   1.000 31.396 0 175 ARG A NE  1 ? 
ATOM   1357 C CZ  . ARG A 1 175 ? -5.384  -33.699 2.037   1.000 31.313 0 175 ARG A CZ  1 ? 
ATOM   1358 N NH1 . ARG A 1 175 ? -4.871  -34.492 1.117   1.000 33.124 0 175 ARG A NH1 1 ? 
ATOM   1359 N NH2 . ARG A 1 175 ? -6.534  -33.093 1.810   1.000 32.863 0 175 ARG A NH2 1 ? 
ATOM   1360 N N   . LEU A 1 176 ? -0.595  -31.099 1.030   1.000 16.925 0 176 LEU A N   1 ? 
ATOM   1361 C CA  . LEU A 1 176 ? -0.446  -31.148 -0.423  1.000 18.051 0 176 LEU A CA  1 ? 
ATOM   1362 C C   . LEU A 1 176 ? 0.932   -30.652 -0.834  1.000 20.427 0 176 LEU A C   1 ? 
ATOM   1363 O O   . LEU A 1 176 ? 1.483   -31.145 -1.855  1.000 19.123 0 176 LEU A O   1 ? 
ATOM   1364 C CB  . LEU A 1 176 ? -1.541  -30.367 -1.120  1.000 19.882 0 176 LEU A CB  1 ? 
ATOM   1365 C CG  . LEU A 1 176 ? -2.913  -31.052 -1.115  1.000 28.905 0 176 LEU A CG  1 ? 
ATOM   1366 C CD1 . LEU A 1 176 ? -3.889  -30.395 -2.029  1.000 29.285 0 176 LEU A CD1 1 ? 
ATOM   1367 C CD2 . LEU A 1 176 ? -2.791  -32.503 -1.538  1.000 34.421 0 176 LEU A CD2 1 ? 
ATOM   1368 N N   . CYS A 1 177 ? 1.517   -29.741 -0.051  1.000 16.570 0 177 CYS A N   1 ? 
ATOM   1369 C CA  . CYS A 1 177 ? 2.796   -29.156 -0.419  1.000 17.038 0 177 CYS A CA  1 ? 
ATOM   1370 C C   . CYS A 1 177 ? 3.664   -29.023 0.818   1.000 17.046 0 177 CYS A C   1 ? 
ATOM   1371 O O   . CYS A 1 177 ? 3.773   -27.956 1.426   1.000 17.337 0 177 CYS A O   1 ? 
ATOM   1372 C CB  . CYS A 1 177 ? 2.662   -27.794 -1.064  1.000 18.037 0 177 CYS A CB  1 ? 
ATOM   1373 S SG  . CYS A 1 177 ? 2.174   -27.969 -2.792  1.000 17.793 0 177 CYS A SG  1 ? 
ATOM   1374 N N   . PRO A 1 178 ? 4.280   -30.124 1.249   1.000 17.326 0 178 PRO A N   1 ? 
ATOM   1375 C CA  . PRO A 1 178 ? 5.110   -30.075 2.432   1.000 17.995 0 178 PRO A CA  1 ? 
ATOM   1376 C C   . PRO A 1 178 ? 6.318   -29.166 2.410   1.000 18.920 0 178 PRO A C   1 ? 
ATOM   1377 O O   . PRO A 1 178 ? 6.751   -28.695 3.447   1.000 20.875 0 178 PRO A O   1 ? 
ATOM   1378 C CB  . PRO A 1 178 ? 5.566   -31.524 2.626   1.000 22.839 0 178 PRO A CB  1 ? 
ATOM   1379 C CG  . PRO A 1 178 ? 4.838   -32.318 1.620   1.000 24.725 0 178 PRO A CG  1 ? 
ATOM   1380 C CD  . PRO A 1 178 ? 4.145   -31.452 0.633   1.000 21.181 0 178 PRO A CD  1 ? 
ATOM   1381 N N   . ASP A 1 179 ? 6.804   -28.832 1.224   1.000 19.880 0 179 ASP A N   1 ? 
ATOM   1382 C CA  A ASP A 1 179 ? 8.028   -28.056 1.119   0.880 21.511 0 179 ASP A CA  1 ? 
ATOM   1383 C CA  B ASP A 1 179 ? 8.038   -28.073 1.129   0.120 19.465 0 179 ASP A CA  1 ? 
ATOM   1384 C C   . ASP A 1 179 ? 7.733   -26.576 0.982   1.000 23.095 0 179 ASP A C   1 ? 
ATOM   1385 O O   . ASP A 1 179 ? 8.620   -25.803 0.696   1.000 25.396 0 179 ASP A O   1 ? 
ATOM   1386 C CB  A ASP A 1 179 ? 8.855   -28.474 -0.083  0.880 26.854 0 179 ASP A CB  1 ? 
ATOM   1387 C CB  B ASP A 1 179 ? 8.946   -28.739 0.104   0.120 18.168 0 179 ASP A CB  1 ? 
ATOM   1388 C CG  A ASP A 1 179 ? 9.633   -29.758 0.153   0.880 33.243 0 179 ASP A CG  1 ? 
ATOM   1389 C CG  B ASP A 1 179 ? 9.122   -30.245 0.297   0.120 16.836 0 179 ASP A CG  1 ? 
ATOM   1390 O OD1 A ASP A 1 179 ? 10.082  -29.971 1.334   0.880 42.032 0 179 ASP A OD1 1 ? 
ATOM   1391 O OD1 B ASP A 1 179 ? 9.340   -30.677 1.458   0.120 14.887 0 179 ASP A OD1 1 ? 
ATOM   1392 O OD2 A ASP A 1 179 ? 9.770   -30.521 -0.821  0.880 35.835 0 179 ASP A OD2 1 ? 
ATOM   1393 O OD2 B ASP A 1 179 ? 9.027   -30.985 -0.705  0.120 16.246 0 179 ASP A OD2 1 ? 
ATOM   1394 N N   . ALA A 1 180 ? 6.488   -26.154 1.209   1.000 17.120 0 180 ALA A N   1 ? 
ATOM   1395 C CA  . ALA A 1 180 ? 6.141   -24.745 1.228   1.000 15.796 0 180 ALA A CA  1 ? 
ATOM   1396 C C   . ALA A 1 180 ? 5.667   -24.313 2.610   1.000 16.289 0 180 ALA A C   1 ? 
ATOM   1397 O O   . ALA A 1 180 ? 5.009   -25.108 3.284   1.000 17.545 0 180 ALA A O   1 ? 
ATOM   1398 C CB  . ALA A 1 180 ? 5.044   -24.458 0.246   1.000 17.252 0 180 ALA A CB  1 ? 
ATOM   1399 N N   . PHE A 1 181 ? 5.899   -23.058 2.968   1.000 14.545 0 181 PHE A N   1 ? 
ATOM   1400 C CA  . PHE A 1 181 ? 5.330   -22.521 4.204   1.000 14.737 0 181 PHE A CA  1 ? 
ATOM   1401 C C   . PHE A 1 181 ? 3.810   -22.530 4.140   1.000 15.566 0 181 PHE A C   1 ? 
ATOM   1402 O O   . PHE A 1 181 ? 3.182   -22.094 3.160   1.000 16.899 0 181 PHE A O   1 ? 
ATOM   1403 C CB  . PHE A 1 181 ? 5.738   -21.087 4.408   1.000 15.630 0 181 PHE A CB  1 ? 
ATOM   1404 C CG  . PHE A 1 181 ? 7.135   -20.909 4.933   1.000 18.392 0 181 PHE A CG  1 ? 
ATOM   1405 C CD1 . PHE A 1 181 ? 8.204   -20.844 4.059   1.000 22.096 0 181 PHE A CD1 1 ? 
ATOM   1406 C CD2 . PHE A 1 181 ? 7.359   -20.800 6.283   1.000 19.925 0 181 PHE A CD2 1 ? 
ATOM   1407 C CE1 . PHE A 1 181 ? 9.485   -20.654 4.554   1.000 25.147 0 181 PHE A CE1 1 ? 
ATOM   1408 C CE2 . PHE A 1 181 ? 8.648   -20.656 6.778   1.000 21.134 0 181 PHE A CE2 1 ? 
ATOM   1409 C CZ  . PHE A 1 181 ? 9.690   -20.539 5.917   1.000 23.538 0 181 PHE A CZ  1 ? 
ATOM   1410 N N   . SER A 1 182 ? 3.185   -23.043 5.225   1.000 15.236 0 182 SER A N   1 ? 
ATOM   1411 C CA  . SER A 1 182 ? 1.723   -23.165 5.291   1.000 15.707 0 182 SER A CA  1 ? 
ATOM   1412 C C   . SER A 1 182 ? 1.091   -22.166 6.256   1.000 16.243 0 182 SER A C   1 ? 
ATOM   1413 O O   . SER A 1 182 ? -0.110  -21.933 6.160   1.000 17.016 0 182 SER A O   1 ? 
ATOM   1414 C CB  . SER A 1 182 ? 1.271   -24.540 5.619   1.000 17.601 0 182 SER A CB  1 ? 
ATOM   1415 O OG  . SER A 1 182 ? 1.667   -24.944 6.937   1.000 17.522 0 182 SER A OG  1 ? 
ATOM   1416 N N   . TYR A 1 183 ? 1.864   -21.628 7.186   1.000 15.221 0 183 TYR A N   1 ? 
ATOM   1417 C CA  . TYR A 1 183 ? 1.414   -20.588 8.112   1.000 17.070 0 183 TYR A CA  1 ? 
ATOM   1418 C C   . TYR A 1 183 ? 2.667   -19.879 8.605   1.000 18.681 0 183 TYR A C   1 ? 
ATOM   1419 O O   . TYR A 1 183 ? 3.775   -20.356 8.351   1.000 19.368 0 183 TYR A O   1 ? 
ATOM   1420 C CB  . TYR A 1 183 ? 0.530   -21.148 9.238   1.000 17.350 0 183 TYR A CB  1 ? 
ATOM   1421 C CG  . TYR A 1 183 ? 1.233   -21.952 10.310  1.000 16.577 0 183 TYR A CG  1 ? 
ATOM   1422 C CD1 . TYR A 1 183 ? 1.678   -23.243 10.095  1.000 17.507 0 183 TYR A CD1 1 ? 
ATOM   1423 C CD2 . TYR A 1 183 ? 1.440   -21.402 11.604  1.000 17.478 0 183 TYR A CD2 1 ? 
ATOM   1424 C CE1 . TYR A 1 183 ? 2.294   -23.996 11.079  1.000 19.160 0 183 TYR A CE1 1 ? 
ATOM   1425 C CE2 . TYR A 1 183 ? 2.034   -22.165 12.605  1.000 18.704 0 183 TYR A CE2 1 ? 
ATOM   1426 C CZ  . TYR A 1 183 ? 2.502   -23.437 12.334  1.000 20.832 0 183 TYR A CZ  1 ? 
ATOM   1427 O OH  . TYR A 1 183 ? 3.117   -24.157 13.350  1.000 24.098 0 183 TYR A OH  1 ? 
ATOM   1428 N N   . VAL A 1 184 ? 2.477   -18.765 9.307   1.000 20.087 0 184 VAL A N   1 ? 
ATOM   1429 C CA  . VAL A 1 184 ? 3.596   -17.882 9.633   1.000 21.205 0 184 VAL A CA  1 ? 
ATOM   1430 C C   . VAL A 1 184 ? 4.669   -18.607 10.440  1.000 22.268 0 184 VAL A C   1 ? 
ATOM   1431 O O   . VAL A 1 184 ? 5.850   -18.390 10.141  1.000 24.237 0 184 VAL A O   1 ? 
ATOM   1432 C CB  . VAL A 1 184 ? 3.089   -16.610 10.353  1.000 25.886 0 184 VAL A CB  1 ? 
ATOM   1433 C CG1 . VAL A 1 184 ? 4.246   -15.778 10.869  1.000 28.287 0 184 VAL A CG1 1 ? 
ATOM   1434 C CG2 . VAL A 1 184 ? 2.194   -15.782 9.470   1.000 27.629 0 184 VAL A CG2 1 ? 
ATOM   1435 N N   . LEU A 1 185 ? 4.324   -19.436 11.427  1.000 21.384 0 185 LEU A N   1 ? 
ATOM   1436 C CA  . LEU A 1 185 ? 5.299   -20.068 12.301  1.000 23.436 0 185 LEU A CA  1 ? 
ATOM   1437 C C   . LEU A 1 185 ? 5.583   -21.508 11.926  1.000 23.017 0 185 LEU A C   1 ? 
ATOM   1438 O O   . LEU A 1 185 ? 6.050   -22.314 12.723  1.000 23.529 0 185 LEU A O   1 ? 
ATOM   1439 C CB  . LEU A 1 185 ? 4.891   -19.975 13.775  1.000 26.483 0 185 LEU A CB  1 ? 
ATOM   1440 C CG  . LEU A 1 185 ? 4.914   -18.586 14.403  1.000 30.678 0 185 LEU A CG  1 ? 
ATOM   1441 C CD1 . LEU A 1 185 ? 4.419   -18.748 15.829  1.000 30.279 0 185 LEU A CD1 1 ? 
ATOM   1442 C CD2 . LEU A 1 185 ? 6.275   -17.912 14.328  1.000 35.952 0 185 LEU A CD2 1 ? 
ATOM   1443 N N   . ASP A 1 186 ? 5.295   -21.894 10.672  1.000 19.460 0 186 ASP A N   1 ? 
ATOM   1444 C CA  . ASP A 1 186 ? 5.614   -23.210 10.202  1.000 19.376 0 186 ASP A CA  1 ? 
ATOM   1445 C C   . ASP A 1 186 ? 7.116   -23.474 10.361  1.000 21.550 0 186 ASP A C   1 ? 
ATOM   1446 O O   . ASP A 1 186 ? 7.880   -22.529 10.254  1.000 25.085 0 186 ASP A O   1 ? 
ATOM   1447 C CB  . ASP A 1 186 ? 5.235   -23.295 8.739   1.000 19.484 0 186 ASP A CB  1 ? 
ATOM   1448 C CG  . ASP A 1 186 ? 4.866   -24.676 8.253   1.000 20.165 0 186 ASP A CG  1 ? 
ATOM   1449 O OD1 . ASP A 1 186 ? 5.071   -25.654 8.986   1.000 21.799 0 186 ASP A OD1 1 ? 
ATOM   1450 O OD2 . ASP A 1 186 ? 4.379   -24.820 7.110   1.000 19.242 0 186 ASP A OD2 1 ? 
ATOM   1451 N N   . LYS A 1 187 ? 7.474   -24.734 10.570  1.000 25.582 0 187 LYS A N   1 ? 
ATOM   1452 C CA  . LYS A 1 187 ? 8.862   -25.128 10.577  1.000 26.172 0 187 LYS A CA  1 ? 
ATOM   1453 C C   . LYS A 1 187 ? 9.437   -24.730 9.215   1.000 24.833 0 187 LYS A C   1 ? 
ATOM   1454 O O   . LYS A 1 187 ? 8.892   -25.098 8.191   1.000 26.515 0 187 LYS A O   1 ? 
ATOM   1455 C CB  . LYS A 1 187 ? 9.028   -26.636 10.782  1.000 31.450 0 187 LYS A CB  1 ? 
ATOM   1456 C CG  . LYS A 1 187 ? 10.506  -27.074 10.833  1.000 43.724 0 187 LYS A CG  1 ? 
ATOM   1457 C CD  . LYS A 1 187 ? 10.711  -28.548 11.188  1.000 56.430 0 187 LYS A CD  1 ? 
ATOM   1458 C CE  . LYS A 1 187 ? 10.592  -29.506 10.028  1.000 63.726 0 187 LYS A CE  1 ? 
ATOM   1459 N NZ  . LYS A 1 187 ? 11.819  -29.554 9.224   0.900 64.694 0 187 LYS A NZ  1 ? 
ATOM   1460 N N   . PRO A 1 188 ? 10.511  -23.918 9.171   1.000 25.307 0 188 PRO A N   1 ? 
ATOM   1461 C CA  . PRO A 1 188 ? 10.961  -23.327 7.904   1.000 26.868 0 188 PRO A CA  1 ? 
ATOM   1462 C C   . PRO A 1 188 ? 11.361  -24.368 6.886   1.000 25.638 0 188 PRO A C   1 ? 
ATOM   1463 O O   . PRO A 1 188 ? 12.011  -25.380 7.184   1.000 27.275 0 188 PRO A O   1 ? 
ATOM   1464 C CB  . PRO A 1 188 ? 12.113  -22.380 8.265   1.000 29.536 0 188 PRO A CB  1 ? 
ATOM   1465 C CG  . PRO A 1 188 ? 11.944  -22.160 9.755   1.000 35.695 0 188 PRO A CG  1 ? 
ATOM   1466 C CD  . PRO A 1 188 ? 11.281  -23.417 10.330  1.000 32.168 0 188 PRO A CD  1 ? 
ATOM   1467 N N   . THR A 1 189 ? 10.959  -24.070 5.652   1.000 22.677 0 189 THR A N   1 ? 
ATOM   1468 C CA  . THR A 1 189 ? 11.358  -24.891 4.512   1.000 24.713 0 189 THR A CA  1 ? 
ATOM   1469 C C   . THR A 1 189 ? 12.291  -24.092 3.603   1.000 23.447 0 189 THR A C   1 ? 
ATOM   1470 O O   . THR A 1 189 ? 12.418  -24.400 2.439   1.000 24.458 0 189 THR A O   1 ? 
ATOM   1471 C CB  . THR A 1 189 ? 10.131  -25.389 3.764   1.000 26.983 0 189 THR A CB  1 ? 
ATOM   1472 O OG1 . THR A 1 189 ? 9.341   -24.244 3.509   1.000 26.767 0 189 THR A OG1 1 ? 
ATOM   1473 C CG2 . THR A 1 189 ? 9.470   -26.482 4.581   1.000 30.373 0 189 THR A CG2 1 ? 
ATOM   1474 N N   . THR A 1 190 ? 12.956  -23.115 4.201   1.000 22.151 0 190 THR A N   1 ? 
ATOM   1475 C CA  . THR A 1 190 ? 13.907  -22.261 3.498   1.000 22.000 0 190 THR A CA  1 ? 
ATOM   1476 C C   . THR A 1 190 ? 15.085  -23.135 3.067   1.000 24.538 0 190 THR A C   1 ? 
ATOM   1477 O O   . THR A 1 190 ? 15.556  -23.974 3.842   1.000 23.506 0 190 THR A O   1 ? 
ATOM   1478 C CB  . THR A 1 190 ? 14.312  -21.112 4.417   1.000 26.639 0 190 THR A CB  1 ? 
ATOM   1479 O OG1 . THR A 1 190 ? 13.054  -20.513 4.748   1.000 29.197 0 190 THR A OG1 1 ? 
ATOM   1480 C CG2 . THR A 1 190 ? 15.183  -20.086 3.705   1.000 25.829 0 190 THR A CG2 1 ? 
ATOM   1481 N N   . VAL A 1 191 ? 15.583  -22.900 1.855   1.000 21.137 0 191 VAL A N   1 ? 
ATOM   1482 C CA  . VAL A 1 191 ? 16.816  -23.483 1.344   1.000 21.630 0 191 VAL A CA  1 ? 
ATOM   1483 C C   . VAL A 1 191 ? 17.913  -22.436 1.328   1.000 20.380 0 191 VAL A C   1 ? 
ATOM   1484 O O   . VAL A 1 191 ? 17.727  -21.278 0.898   1.000 21.537 0 191 VAL A O   1 ? 
ATOM   1485 C CB  . VAL A 1 191 ? 16.563  -24.003 -0.082  1.000 23.146 0 191 VAL A CB  1 ? 
ATOM   1486 C CG1 . VAL A 1 191 ? 17.860  -24.398 -0.776  1.000 26.153 0 191 VAL A CG1 1 ? 
ATOM   1487 C CG2 . VAL A 1 191 ? 15.535  -25.123 -0.075  1.000 26.408 0 191 VAL A CG2 1 ? 
ATOM   1488 N N   . THR A 1 192 ? 19.106  -22.865 1.791   1.000 21.961 0 192 THR A N   1 ? 
ATOM   1489 C CA  . THR A 1 192 ? 20.246  -21.989 1.796   1.000 22.635 0 192 THR A CA  1 ? 
ATOM   1490 C C   . THR A 1 192 ? 21.073  -22.348 0.568   1.000 21.791 0 192 THR A C   1 ? 
ATOM   1491 O O   . THR A 1 192 ? 21.429  -23.518 0.406   1.000 25.456 0 192 THR A O   1 ? 
ATOM   1492 C CB  . THR A 1 192 ? 21.071  -22.195 3.079   1.000 26.256 0 192 THR A CB  1 ? 
ATOM   1493 O OG1 . THR A 1 192 ? 20.295  -21.884 4.230   1.000 28.247 0 192 THR A OG1 1 ? 
ATOM   1494 C CG2 . THR A 1 192 ? 22.269  -21.274 3.102   1.000 27.463 0 192 THR A CG2 1 ? 
ATOM   1495 N N   . CYS A 1 193 ? 21.325  -21.351 -0.275  1.000 20.656 0 193 CYS A N   1 ? 
ATOM   1496 C CA  . CYS A 1 193 ? 22.144  -21.499 -1.467  1.000 22.784 0 193 CYS A CA  1 ? 
ATOM   1497 C C   . CYS A 1 193 ? 23.367  -20.597 -1.336  1.000 21.763 0 193 CYS A C   1 ? 
ATOM   1498 O O   . CYS A 1 193 ? 23.406  -19.624 -0.581  1.000 22.267 0 193 CYS A O   1 ? 
ATOM   1499 C CB  . CYS A 1 193 ? 21.420  -21.051 -2.724  1.000 23.278 0 193 CYS A CB  1 ? 
ATOM   1500 S SG  . CYS A 1 193 ? 20.052  -22.145 -3.128  1.000 23.822 0 193 CYS A SG  1 ? 
ATOM   1501 N N   . PRO A 1 194 ? 24.426  -20.878 -2.116  1.000 25.504 0 194 PRO A N   1 ? 
ATOM   1502 C CA  . PRO A 1 194 ? 25.562  -19.967 -2.170  1.000 26.441 0 194 PRO A CA  1 ? 
ATOM   1503 C C   . PRO A 1 194 ? 25.130  -18.568 -2.535  1.000 24.622 0 194 PRO A C   1 ? 
ATOM   1504 O O   . PRO A 1 194 ? 24.286  -18.371 -3.424  1.000 23.709 0 194 PRO A O   1 ? 
ATOM   1505 C CB  . PRO A 1 194 ? 26.425  -20.604 -3.275  1.000 28.104 0 194 PRO A CB  1 ? 
ATOM   1506 C CG  . PRO A 1 194 ? 26.135  -22.058 -3.199  1.000 27.516 0 194 PRO A CG  1 ? 
ATOM   1507 C CD  . PRO A 1 194 ? 24.618  -22.104 -2.908  1.000 29.151 0 194 PRO A CD  1 ? 
ATOM   1508 N N   . GLY A 1 195 ? 25.774  -17.567 -1.947  1.000 23.935 0 195 GLY A N   1 ? 
ATOM   1509 C CA  . GLY A 1 195 ? 25.556  -16.203 -2.355  1.000 22.869 0 195 GLY A CA  1 ? 
ATOM   1510 C C   . GLY A 1 195 ? 25.812  -16.032 -3.847  1.000 24.575 0 195 GLY A C   1 ? 
ATOM   1511 O O   . GLY A 1 195 ? 26.742  -16.649 -4.379  1.000 27.548 0 195 GLY A O   1 ? 
ATOM   1512 N N   . SER A 1 196 ? 24.953  -15.235 -4.493  1.000 20.638 0 196 SER A N   1 ? 
ATOM   1513 C CA  . SER A 1 196 ? 25.055  -14.907 -5.898  1.000 22.236 0 196 SER A CA  1 ? 
ATOM   1514 C C   . SER A 1 196 ? 24.743  -16.079 -6.819  1.000 24.589 0 196 SER A C   1 ? 
ATOM   1515 O O   . SER A 1 196 ? 25.260  -16.124 -7.945  1.000 25.186 0 196 SER A O   1 ? 
ATOM   1516 C CB  . SER A 1 196 ? 26.447  -14.373 -6.227  1.000 24.619 0 196 SER A CB  1 ? 
ATOM   1517 O OG  . SER A 1 196 ? 26.558  -13.076 -5.674  1.000 28.688 0 196 SER A OG  1 ? 
ATOM   1518 N N   . SER A 1 197 ? 23.886  -17.001 -6.369  1.000 22.438 0 197 SER A N   1 ? 
ATOM   1519 C CA  . SER A 1 197 ? 23.316  -18.014 -7.241  1.000 20.529 0 197 SER A CA  1 ? 
ATOM   1520 C C   . SER A 1 197 ? 22.343  -17.394 -8.236  1.000 18.376 0 197 SER A C   1 ? 
ATOM   1521 O O   . SER A 1 197 ? 21.897  -16.273 -8.091  1.000 22.284 0 197 SER A O   1 ? 
ATOM   1522 C CB  . SER A 1 197 ? 22.630  -19.076 -6.456  1.000 22.344 0 197 SER A CB  1 ? 
ATOM   1523 O OG  . SER A 1 197 ? 23.487  -19.790 -5.566  1.000 24.664 0 197 SER A OG  1 ? 
ATOM   1524 N N   . ASN A 1 198 ? 22.056  -18.151 -9.298  1.000 19.494 0 198 ASN A N   1 ? 
ATOM   1525 C CA  . ASN A 1 198 ? 21.011  -17.808 -10.258 1.000 18.234 0 198 ASN A CA  1 ? 
ATOM   1526 C C   . ASN A 1 198 ? 19.918  -18.873 -10.178 1.000 16.474 0 198 ASN A C   1 ? 
ATOM   1527 O O   . ASN A 1 198 ? 20.104  -19.964 -9.689  1.000 18.858 0 198 ASN A O   1 ? 
ATOM   1528 C CB  . ASN A 1 198 ? 21.566  -17.704 -11.687 1.000 21.037 0 198 ASN A CB  1 ? 
ATOM   1529 C CG  . ASN A 1 198 ? 22.619  -16.637 -11.803 1.000 22.940 0 198 ASN A CG  1 ? 
ATOM   1530 O OD1 . ASN A 1 198 ? 22.443  -15.496 -11.361 1.000 22.729 0 198 ASN A OD1 1 ? 
ATOM   1531 N ND2 . ASN A 1 198 ? 23.675  -16.989 -12.523 1.000 30.387 0 198 ASN A ND2 1 ? 
ATOM   1532 N N   . TYR A 1 199 ? 18.742  -18.488 -10.689 1.000 17.533 0 199 TYR A N   1 ? 
ATOM   1533 C CA  . TYR A 1 199 ? 17.551  -19.289 -10.446 1.000 17.089 0 199 TYR A CA  1 ? 
ATOM   1534 C C   . TYR A 1 199 ? 16.594  -19.315 -11.635 1.000 15.822 0 199 TYR A C   1 ? 
ATOM   1535 O O   . TYR A 1 199 ? 16.621  -18.464 -12.514 1.000 16.837 0 199 TYR A O   1 ? 
ATOM   1536 C CB  . TYR A 1 199 ? 16.774  -18.680 -9.265  1.000 16.972 0 199 TYR A CB  1 ? 
ATOM   1537 C CG  . TYR A 1 199 ? 17.583  -18.542 -7.983  1.000 17.339 0 199 TYR A CG  1 ? 
ATOM   1538 C CD1 . TYR A 1 199 ? 17.739  -19.635 -7.157  1.000 17.022 0 199 TYR A CD1 1 ? 
ATOM   1539 C CD2 . TYR A 1 199 ? 18.269  -17.365 -7.682  1.000 17.996 0 199 TYR A CD2 1 ? 
ATOM   1540 C CE1 . TYR A 1 199 ? 18.478  -19.558 -5.985  1.000 16.535 0 199 TYR A CE1 1 ? 
ATOM   1541 C CE2 . TYR A 1 199 ? 19.025  -17.293 -6.522  1.000 17.397 0 199 TYR A CE2 1 ? 
ATOM   1542 C CZ  . TYR A 1 199 ? 19.156  -18.390 -5.718  1.000 17.812 0 199 TYR A CZ  1 ? 
ATOM   1543 O OH  . TYR A 1 199 ? 19.897  -18.355 -4.541  1.000 21.566 0 199 TYR A OH  1 ? 
ATOM   1544 N N   . ARG A 1 200 ? 15.690  -20.291 -11.583 1.000 16.371 0 200 ARG A N   1 ? 
ATOM   1545 C CA  . ARG A 1 200 ? 14.586  -20.415 -12.520 1.000 14.942 0 200 ARG A CA  1 ? 
ATOM   1546 C C   . ARG A 1 200 ? 13.313  -20.671 -11.709 1.000 15.615 0 200 ARG A C   1 ? 
ATOM   1547 O O   . ARG A 1 200 ? 13.304  -21.535 -10.836 1.000 18.211 0 200 ARG A O   1 ? 
ATOM   1548 C CB  . ARG A 1 200 ? 14.795  -21.571 -13.487 1.000 17.062 0 200 ARG A CB  1 ? 
ATOM   1549 C CG  . ARG A 1 200 ? 13.682  -21.792 -14.503 1.000 18.091 0 200 ARG A CG  1 ? 
ATOM   1550 C CD  . ARG A 1 200 ? 13.905  -22.893 -15.500 1.000 20.504 0 200 ARG A CD  1 ? 
ATOM   1551 N NE  . ARG A 1 200 ? 14.989  -22.460 -16.393 1.000 22.215 0 200 ARG A NE  1 ? 
ATOM   1552 C CZ  . ARG A 1 200 ? 16.118  -23.088 -16.565 1.000 26.787 0 200 ARG A CZ  1 ? 
ATOM   1553 N NH1 . ARG A 1 200 ? 16.471  -24.090 -15.823 1.000 29.955 0 200 ARG A NH1 1 ? 
ATOM   1554 N NH2 . ARG A 1 200 ? 16.967  -22.647 -17.480 1.000 27.405 0 200 ARG A NH2 1 ? 
ATOM   1555 N N   . VAL A 1 201 ? 12.304  -19.871 -12.041 1.000 14.767 0 201 VAL A N   1 ? 
ATOM   1556 C CA  . VAL A 1 201 ? 10.955  -20.081 -11.522 1.000 15.755 0 201 VAL A CA  1 ? 
ATOM   1557 C C   . VAL A 1 201 ? 10.105  -20.585 -12.676 1.000 14.886 0 201 VAL A C   1 ? 
ATOM   1558 O O   . VAL A 1 201 ? 9.999   -19.913 -13.689 1.000 16.252 0 201 VAL A O   1 ? 
ATOM   1559 C CB  . VAL A 1 201 ? 10.351  -18.790 -10.965 1.000 16.181 0 201 VAL A CB  1 ? 
ATOM   1560 C CG1 . VAL A 1 201 ? 8.940   -19.055 -10.499 1.000 19.729 0 201 VAL A CG1 1 ? 
ATOM   1561 C CG2 . VAL A 1 201 ? 11.204  -18.216 -9.825  1.000 17.380 0 201 VAL A CG2 1 ? 
ATOM   1562 N N   . THR A 1 202 ? 9.544   -21.773 -12.487 1.000 13.887 0 202 THR A N   1 ? 
ATOM   1563 C CA  . THR A 1 202 ? 8.734   -22.420 -13.506 1.000 14.293 0 202 THR A CA  1 ? 
ATOM   1564 C C   . THR A 1 202 ? 7.296   -22.509 -12.979 1.000 14.829 0 202 THR A C   1 ? 
ATOM   1565 O O   . THR A 1 202 ? 7.061   -23.241 -12.001 1.000 16.355 0 202 THR A O   1 ? 
ATOM   1566 C CB  . THR A 1 202 ? 9.223   -23.819 -13.869 1.000 16.267 0 202 THR A CB  1 ? 
ATOM   1567 O OG1 . THR A 1 202 ? 10.607  -23.782 -14.234 1.000 17.189 0 202 THR A OG1 1 ? 
ATOM   1568 C CG2 . THR A 1 202 ? 8.462   -24.441 -15.026 1.000 17.281 0 202 THR A CG2 1 ? 
ATOM   1569 N N   . PHE A 1 203 ? 6.379   -21.910 -13.696 1.000 14.141 0 203 PHE A N   1 ? 
ATOM   1570 C CA  . PHE A 1 203 ? 4.957   -22.079 -13.431 1.000 12.722 0 203 PHE A CA  1 ? 
ATOM   1571 C C   . PHE A 1 203 ? 4.463   -23.335 -14.117 1.000 14.676 0 203 PHE A C   1 ? 
ATOM   1572 O O   . PHE A 1 203 ? 4.839   -23.617 -15.272 1.000 15.069 0 203 PHE A O   1 ? 
ATOM   1573 C CB  . PHE A 1 203 ? 4.170   -20.877 -13.901 1.000 13.895 0 203 PHE A CB  1 ? 
ATOM   1574 C CG  . PHE A 1 203 ? 4.623   -19.564 -13.316 1.000 15.415 0 203 PHE A CG  1 ? 
ATOM   1575 C CD1 . PHE A 1 203 ? 4.616   -19.361 -11.939 1.000 17.834 0 203 PHE A CD1 1 ? 
ATOM   1576 C CD2 . PHE A 1 203 ? 5.040   -18.538 -14.135 1.000 17.550 0 203 PHE A CD2 1 ? 
ATOM   1577 C CE1 . PHE A 1 203 ? 5.053   -18.130 -11.444 1.000 18.745 0 203 PHE A CE1 1 ? 
ATOM   1578 C CE2 . PHE A 1 203 ? 5.396   -17.308 -13.617 1.000 17.774 0 203 PHE A CE2 1 ? 
ATOM   1579 C CZ  . PHE A 1 203 ? 5.477   -17.161 -12.278 1.000 16.462 0 203 PHE A CZ  1 ? 
ATOM   1580 N N   . CYS A 1 204 ? 3.604   -24.103 -13.431 1.000 13.900 0 204 CYS A N   1 ? 
ATOM   1581 C CA  . CYS A 1 204 ? 3.099   -25.386 -13.923 1.000 13.972 0 204 CYS A CA  1 ? 
ATOM   1582 C C   . CYS A 1 204 ? 4.221   -26.336 -14.292 1.000 16.546 0 204 CYS A C   1 ? 
ATOM   1583 O O   . CYS A 1 204 ? 4.315   -26.796 -15.445 1.000 16.414 0 204 CYS A O   1 ? 
ATOM   1584 C CB  . CYS A 1 204 ? 2.093   -25.224 -15.050 1.000 16.086 0 204 CYS A CB  1 ? 
ATOM   1585 S SG  . CYS A 1 204 ? 0.673   -24.186 -14.660 1.000 16.952 0 204 CYS A SG  1 ? 
ATOM   1586 N N   . PRO A 1 205 ? 5.128   -26.665 -13.363 1.000 15.710 0 205 PRO A N   1 ? 
ATOM   1587 C CA  . PRO A 1 205 ? 6.273   -27.490 -13.708 1.000 17.669 0 205 PRO A CA  1 ? 
ATOM   1588 C C   . PRO A 1 205 ? 5.958   -28.885 -14.210 1.000 22.586 0 205 PRO A C   1 ? 
ATOM   1589 O O   . PRO A 1 205 ? 6.788   -29.428 -14.959 1.000 23.201 0 205 PRO A O   1 ? 
ATOM   1590 C CB  . PRO A 1 205 ? 7.084   -27.511 -12.407 1.000 19.295 0 205 PRO A CB  1 ? 
ATOM   1591 C CG  . PRO A 1 205 ? 6.090   -27.293 -11.360 1.000 18.113 0 205 PRO A CG  1 ? 
ATOM   1592 C CD  . PRO A 1 205 ? 5.117   -26.278 -11.933 1.000 14.892 0 205 PRO A CD  1 ? 
ATOM   1593 N N   . THR A 1 206 ? 4.828   -29.435 -13.786 1.000 20.770 0 206 THR A N   1 ? 
ATOM   1594 C CA  . THR A 1 206 ? 4.471   -30.814 -14.142 1.000 33.053 0 206 THR A CA  1 ? 
ATOM   1595 C C   . THR A 1 206 ? 3.253   -30.801 -15.053 1.000 45.185 0 206 THR A C   1 ? 
ATOM   1596 O O   . THR A 1 206 ? 3.449   -30.458 -16.233 1.000 55.750 0 206 THR A O   1 ? 
ATOM   1597 C CB  . THR A 1 206 ? 4.190   -31.647 -12.890 1.000 35.815 0 206 THR A CB  1 ? 
ATOM   1598 O OG1 . THR A 1 206 ? 3.008   -31.062 -12.367 1.000 41.332 0 206 THR A OG1 1 ? 
ATOM   1599 C CG2 . THR A 1 206 ? 5.312   -31.607 -11.869 1.000 39.352 0 206 THR A CG2 1 ? 
HETATM 1600 O O1  . TLA B 2 .   ? 10.634  -12.539 -26.602 1.000 24.522 0 301 TLA A O1  1 ? 
HETATM 1601 O O11 . TLA B 2 .   ? 10.862  -12.350 -24.400 1.000 25.571 0 301 TLA A O11 1 ? 
HETATM 1602 C C1  . TLA B 2 .   ? 10.466  -12.919 -25.414 1.000 24.491 0 301 TLA A C1  1 ? 
HETATM 1603 C C2  . TLA B 2 .   ? 9.800   -14.282 -25.238 1.000 20.141 0 301 TLA A C2  1 ? 
HETATM 1604 O O2  . TLA B 2 .   ? 9.427   -14.539 -23.881 1.000 19.921 0 301 TLA A O2  1 ? 
HETATM 1605 C C3  . TLA B 2 .   ? 10.743  -15.378 -25.739 1.000 18.222 0 301 TLA A C3  1 ? 
HETATM 1606 O O3  . TLA B 2 .   ? 11.946  -15.389 -25.009 1.000 20.721 0 301 TLA A O3  1 ? 
HETATM 1607 C C4  . TLA B 2 .   ? 10.023  -16.715 -25.589 1.000 17.599 0 301 TLA A C4  1 ? 
HETATM 1608 O O4  . TLA B 2 .   ? 10.466  -17.458 -24.684 1.000 16.688 0 301 TLA A O4  1 ? 
HETATM 1609 O O41 . TLA B 2 .   ? 9.086   -16.932 -26.366 1.000 17.828 0 301 TLA A O41 1 ? 
HETATM 1610 O O   . HOH C 3 .   ? -11.534 -27.743 5.896   1.000 43.159 0 401 HOH A O   1 ? 
HETATM 1611 O O   . HOH C 3 .   ? -9.110  -27.632 5.648   1.000 36.981 0 402 HOH A O   1 ? 
HETATM 1612 O O   . HOH C 3 .   ? -2.463  -1.888  -3.971  1.000 61.093 0 403 HOH A O   1 ? 
HETATM 1613 O O   . HOH C 3 .   ? -6.480  -31.524 9.416   1.000 49.883 0 404 HOH A O   1 ? 
HETATM 1614 O O   . HOH C 3 .   ? -8.070  -16.713 -12.444 1.000 30.223 0 405 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? 22.294  -26.382 -7.614  1.000 49.251 0 406 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? 9.991   -29.485 -3.083  1.000 31.989 0 407 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? -1.913  -9.857  11.939  1.000 39.878 0 408 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? 3.991   -26.499 12.998  1.000 50.922 0 409 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? 20.726  -6.595  1.822   1.000 43.384 0 410 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? 8.021   -27.405 7.470   1.000 30.314 0 411 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? -5.603  -10.277 -21.377 1.000 47.946 0 412 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? 13.295  -7.783  -18.286 1.000 44.456 0 413 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? 17.233  -7.210  -17.175 1.000 47.061 0 414 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? 13.264  -1.870  -11.579 1.000 41.898 0 415 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? -9.001  -19.018 -15.120 1.000 50.336 0 416 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? 2.606   -28.251 -17.352 1.000 40.734 0 417 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? -1.467  -14.856 17.000  1.000 28.157 0 418 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? 25.192  -21.289 -6.967  1.000 35.173 0 419 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? 23.299  -15.586 6.202   1.000 41.747 0 420 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? 7.530   -24.513 6.024   1.000 35.158 0 421 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? 3.445   -23.080 15.724  1.000 32.631 0 422 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? -16.267 -20.859 9.325   1.000 28.944 0 423 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? -7.830  -15.864 17.119  1.000 19.543 0 424 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? 0.162   -26.538 8.868   1.000 19.297 0 425 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? -2.916  -24.858 -13.003 1.000 32.547 0 426 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? 12.507  -28.715 -7.376  1.000 38.849 0 427 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? -4.705  -16.444 -17.050 1.000 19.726 0 428 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? 13.900  -2.540  -6.874  1.000 49.813 0 429 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? -2.895  -23.586 -24.603 1.000 41.005 0 430 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? 11.758  -25.762 -15.592 1.000 48.871 0 431 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? 21.780  -14.460 -6.024  1.000 22.995 0 432 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? -1.772  -20.900 4.347   1.000 22.235 0 433 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? -15.230 -14.467 -15.812 1.000 54.490 0 434 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? 0.024   -12.446 9.038   1.000 39.386 0 435 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? 1.908   -35.065 2.396   1.000 44.379 0 436 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? 7.094   -16.820 8.362   1.000 45.332 0 437 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 11.411  -9.728  -24.438 1.000 52.645 0 438 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? 12.281  -23.994 -11.955 1.000 18.648 0 439 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? -4.159  -4.927  -5.565  1.000 40.674 0 440 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? 5.124   -19.845 -26.677 1.000 20.696 0 441 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? 10.725  -20.030 -23.759 1.000 15.402 0 442 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? -5.640  -7.124  6.975   1.000 48.843 0 443 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? -1.817  -27.275 -9.334  1.000 37.514 0 444 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? 7.860   -30.385 5.236   1.000 57.548 0 445 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? 10.238  -23.637 0.633   1.000 21.600 0 446 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? 16.907  -20.604 -21.391 1.000 21.989 0 447 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? 21.628  -22.063 6.583   1.000 50.394 0 448 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? 4.949   -15.691 2.775   1.000 25.768 0 449 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? 16.719  -4.560  -5.088  1.000 58.004 0 450 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 8.342   -19.855 10.339  1.000 31.042 0 451 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? -4.294  -26.347 -8.645  1.000 26.250 0 452 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? -3.300  -27.086 16.148  1.000 22.039 0 453 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? 7.363   -15.526 -27.956 1.000 19.029 0 454 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? -7.264  -27.101 -10.732 1.000 47.848 0 455 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? 20.400  -4.415  -3.316  1.000 38.069 0 456 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? 22.876  -11.854 -6.116  1.000 24.149 0 457 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? 7.771   -31.347 -16.627 1.000 52.384 0 458 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 0.914   -11.841 -2.513  1.000 23.145 0 459 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? -7.246  -12.382 -19.563 1.000 31.754 0 460 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? 5.841   -29.347 -1.614  1.000 22.561 0 461 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? 1.504   -17.547 -0.580  1.000 15.306 0 462 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? -15.615 -18.467 3.129   1.000 36.339 0 463 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? -0.975  -7.982  -21.245 1.000 35.995 0 464 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? -9.376  -14.681 -7.000  1.000 31.193 0 465 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? 17.893  -22.999 4.990   1.000 44.275 0 466 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? -0.308  -18.161 10.591  1.000 32.029 0 467 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? 7.010   -5.421  -19.052 1.000 30.640 0 468 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? -8.498  -31.728 13.335  1.000 43.171 0 469 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? 3.919   -12.211 -24.165 1.000 28.835 0 470 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? 1.937   -17.311 -8.235  1.000 15.719 0 471 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? -6.752  -0.411  -12.865 1.000 37.937 0 472 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? 19.860  -27.711 -0.505  1.000 39.206 0 473 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? 24.615  -14.223 -9.856  1.000 32.847 0 474 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? -7.199  -11.857 -5.905  1.000 24.483 0 475 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? -3.459  -21.160 9.849   1.000 17.159 0 476 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? -0.491  -8.491  -0.622  1.000 40.673 0 477 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? 3.672   -0.608  -18.265 1.000 51.193 0 478 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? 10.420  -1.311  -13.621 1.000 55.269 0 479 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? -1.816  -6.216  -11.470 1.000 19.713 0 480 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? -8.612  -13.166 -1.936  1.000 33.009 0 481 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? 16.918  -5.370  -8.405  1.000 43.462 0 482 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? 14.813  -16.557 -21.237 1.000 38.584 0 483 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? -1.424  1.295   -8.391  1.000 43.051 0 484 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? -6.846  -30.315 7.128   1.000 25.849 0 485 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? 24.144  -11.480 -8.370  1.000 35.382 0 486 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? -5.208  -16.556 18.732  1.000 23.543 0 487 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? 17.325  -25.574 -12.464 1.000 45.345 0 488 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? -0.390  -17.418 8.586   1.000 35.020 0 489 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? -12.801 -17.811 0.370   1.000 30.193 0 490 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? 12.130  -5.515  0.691   1.000 45.237 0 491 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? -4.422  -10.118 5.914   1.000 48.079 0 492 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -9.963  -30.239 1.206   1.000 37.620 0 493 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? 26.838  -10.911 -7.492  1.000 46.708 0 494 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? 26.801  -11.224 1.431   1.000 26.456 0 495 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? -12.627 -28.635 -3.687  1.000 33.977 0 496 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? -0.785  -18.742 -23.731 1.000 25.114 0 497 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? -11.963 -16.161 -15.559 1.000 44.049 0 498 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? 24.595  -7.742  0.781   1.000 42.623 0 499 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? 10.460  -12.442 0.241   1.000 24.669 0 500 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? 2.057   -2.160  -8.136  1.000 26.615 0 501 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? -1.895  -14.337 5.020   1.000 28.083 0 502 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? -2.605  -33.020 -6.386  1.000 35.548 0 503 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? 13.637  -16.593 1.497   1.000 31.089 0 504 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? -1.573  -25.861 -17.310 1.000 26.815 0 505 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? 18.954  -18.231 -14.181 1.000 28.631 0 506 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? -4.361  -23.298 15.985  1.000 19.230 0 507 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? -7.057  -3.222  -10.479 1.000 36.921 0 508 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? 3.005   -10.689 -4.026  1.000 23.523 0 509 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? 29.243  -16.938 -2.971  1.000 44.219 0 510 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? -7.475  0.936   -15.450 1.000 47.952 0 511 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? -1.921  -20.227 12.142  1.000 17.705 0 512 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? 2.989   -32.704 4.973   1.000 37.393 0 513 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? -0.806  -31.667 7.168   1.000 30.221 0 514 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? 0.773   -33.768 -2.893  1.000 42.573 0 515 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? -3.423  -18.922 7.949   1.000 27.509 0 516 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? 2.277   -28.250 -12.695 1.000 27.562 0 517 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? -11.244 -21.396 -6.872  1.000 37.299 0 518 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? -1.578  -18.222 6.179   1.000 29.968 0 519 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? 19.322  -25.593 2.853   1.000 41.225 0 520 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? -5.000  -32.048 5.725   1.000 34.744 0 521 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? 4.946   -30.463 -5.222  1.000 32.009 0 522 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? 29.218  -13.020 -4.427  1.000 48.559 0 523 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? 3.782   -7.784  -21.225 1.000 25.752 0 524 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? 3.632   -4.148  -1.101  1.000 32.123 0 525 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? 9.637   0.491   -8.854  1.000 33.885 0 526 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? 12.760  -13.510 1.664   1.000 32.848 0 527 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? 2.226   -25.583 2.231   1.000 17.938 0 528 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? -14.080 -25.533 6.709   1.000 38.876 0 529 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? -10.188 -6.221  7.840   1.000 20.181 0 530 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? -11.312 -14.238 -2.510  1.000 42.481 0 531 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? 11.034  -9.200  -21.867 1.000 36.737 0 532 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? 25.355  -3.678  -7.401  1.000 48.258 0 533 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? 13.662  -11.916 -21.282 1.000 35.668 0 534 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? -13.704 -14.496 11.480  1.000 33.534 0 535 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? -4.402  -3.293  -24.492 1.000 55.619 0 536 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? -9.754  -10.292 14.592  1.000 25.589 0 537 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? -7.665  -11.092 -1.506  1.000 48.550 0 538 HOH A O   1 ? 
HETATM 1748 O O   . HOH C 3 .   ? -14.463 -25.367 4.096   1.000 33.086 0 539 HOH A O   1 ? 
HETATM 1749 O O   . HOH C 3 .   ? -11.834 -25.342 10.262  1.000 24.567 0 540 HOH A O   1 ? 
HETATM 1750 O O   . HOH C 3 .   ? -3.988  -23.941 -10.469 1.000 35.592 0 541 HOH A O   1 ? 
HETATM 1751 O O   . HOH C 3 .   ? -5.412  -21.860 -22.462 1.000 63.056 0 542 HOH A O   1 ? 
HETATM 1752 O O   . HOH C 3 .   ? 16.684  -5.023  -0.600  1.000 39.990 0 543 HOH A O   1 ? 
HETATM 1753 O O   . HOH C 3 .   ? -2.450  -20.537 7.404   1.000 31.926 0 544 HOH A O   1 ? 
HETATM 1754 O O   . HOH C 3 .   ? 6.450   -11.846 3.657   1.000 50.624 0 545 HOH A O   1 ? 
HETATM 1755 O O   . HOH C 3 .   ? 2.294   -0.878  -15.489 1.000 31.576 0 546 HOH A O   1 ? 
HETATM 1756 O O   . HOH C 3 .   ? 9.251   -9.006  1.682   1.000 40.539 0 547 HOH A O   1 ? 
HETATM 1757 O O   . HOH C 3 .   ? -4.316  -21.164 5.602   1.000 19.974 0 548 HOH A O   1 ? 
HETATM 1758 O O   . HOH C 3 .   ? -4.826  -18.063 -21.550 1.000 32.763 0 549 HOH A O   1 ? 
HETATM 1759 O O   . HOH C 3 .   ? -14.681 -28.624 1.169   1.000 42.349 0 550 HOH A O   1 ? 
HETATM 1760 O O   . HOH C 3 .   ? -5.602  -35.015 -1.837  1.000 51.796 0 551 HOH A O   1 ? 
HETATM 1761 O O   . HOH C 3 .   ? 3.697   -29.710 -19.233 1.000 49.886 0 552 HOH A O   1 ? 
HETATM 1762 O O   . HOH C 3 .   ? 27.176  -13.071 -0.948  1.000 33.701 0 553 HOH A O   1 ? 
HETATM 1763 O O   . HOH C 3 .   ? 25.526  -18.684 -14.368 1.000 51.965 0 554 HOH A O   1 ? 
HETATM 1764 O O   . HOH C 3 .   ? 0.403   -30.022 12.289  1.000 48.890 0 555 HOH A O   1 ? 
HETATM 1765 O O   . HOH C 3 .   ? 6.343   -32.095 -2.220  1.000 46.724 0 556 HOH A O   1 ? 
HETATM 1766 O O   . HOH C 3 .   ? 6.683   -11.888 -26.287 1.000 45.403 0 557 HOH A O   1 ? 
HETATM 1767 O O   . HOH C 3 .   ? -6.419  -18.522 -16.378 1.000 34.962 0 558 HOH A O   1 ? 
HETATM 1768 O O   . HOH C 3 .   ? -3.176  -15.390 20.136  1.000 43.972 0 559 HOH A O   1 ? 
HETATM 1769 O O   . HOH C 3 .   ? 22.465  -7.312  -17.147 1.000 53.924 0 560 HOH A O   1 ? 
HETATM 1770 O O   . HOH C 3 .   ? 7.697   -31.244 -4.146  1.000 47.597 0 561 HOH A O   1 ? 
HETATM 1771 O O   . HOH C 3 .   ? 8.278   -13.482 4.074   1.000 62.608 0 562 HOH A O   1 ? 
HETATM 1772 O O   . HOH C 3 .   ? 14.410  -25.356 -13.311 1.000 33.056 0 563 HOH A O   1 ? 
HETATM 1773 O O   . HOH C 3 .   ? 7.719   -9.526  -24.361 1.000 54.801 0 564 HOH A O   1 ? 
HETATM 1774 O O   . HOH C 3 .   ? 4.851   -9.676  -23.518 1.000 47.005 0 565 HOH A O   1 ? 
HETATM 1775 O O   . HOH C 3 .   ? -6.546  -0.847  -8.605  1.000 57.885 0 566 HOH A O   1 ? 
HETATM 1776 O O   . HOH C 3 .   ? 5.712   -22.435 16.419  1.000 57.836 0 567 HOH A O   1 ? 
HETATM 1777 O O   . HOH C 3 .   ? 5.462   -5.522  -21.290 1.000 40.124 0 568 HOH A O   1 ? 
HETATM 1778 O O   . HOH C 3 .   ? 3.571   -3.653  -22.526 1.000 57.847 0 569 HOH A O   1 ? 
HETATM 1779 O O   . HOH C 3 .   ? -0.656  -14.948 7.610   1.000 51.474 0 570 HOH A O   1 ? 
HETATM 1780 O O   . HOH C 3 .   ? -5.854  -15.958 -19.710 1.000 40.925 0 571 HOH A O   1 ? 
HETATM 1781 O O   . HOH C 3 .   ? 9.652   -6.379  -19.947 1.000 48.390 0 572 HOH A O   1 ? 
HETATM 1782 O O   . HOH C 3 .   ? 3.737   -13.301 2.958   1.000 47.392 0 573 HOH A O   1 ? 
HETATM 1783 O O   . HOH C 3 .   ? 17.783  -3.635  -2.471  1.000 59.339 0 574 HOH A O   1 ? 
HETATM 1784 O O   . HOH C 3 .   ? 1.197   0.260   -7.174  1.000 35.930 0 575 HOH A O   1 ? 
HETATM 1785 O O   . HOH C 3 .   ? -3.304  -35.787 -2.753  1.000 56.137 0 576 HOH A O   1 ? 
HETATM 1786 O O   . HOH C 3 .   ? 2.643   -10.903 -0.437  1.000 43.124 0 577 HOH A O   1 ? 
HETATM 1787 O O   . HOH C 3 .   ? 3.310   -11.038 1.894   1.000 60.655 0 578 HOH A O   1 ? 
HETATM 1788 O O   . HOH C 3 .   ? -17.626 -25.933 4.313   1.000 52.261 0 579 HOH A O   1 ? 
HETATM 1789 O O   . HOH C 3 .   ? -14.411 -15.344 1.370   1.000 59.023 0 580 HOH A O   1 ? 
HETATM 1790 O O   . HOH C 3 .   ? 1.350   -28.609 10.189  1.000 34.178 0 581 HOH A O   1 ? 
HETATM 1791 O O   . HOH C 3 .   ? -6.837  -23.862 -11.285 1.000 53.717 0 582 HOH A O   1 ? 
HETATM 1792 O O   . HOH C 3 .   ? 1.085   -31.058 8.860   1.000 42.642 0 583 HOH A O   1 ? 
HETATM 1793 O O   . HOH C 3 .   ? 3.560   -5.229  1.837   1.000 55.070 0 584 HOH A O   1 ? 
# 
