data_9EQV
# 
_entry.id   9EQV 
# 
_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   9EQV         pdb_00009eqv 10.2210/pdb9eqv/pdb 
WWPDB D_1292137439 ?            ?                   
# 
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                        9EQV 
_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    332 ? ? ? ? 
# 
_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   404 416 HOH HOH A . 
C 3 HOH 5   405 415 HOH HOH A . 
C 3 HOH 6   406 438 HOH HOH A . 
C 3 HOH 7   407 604 HOH HOH A . 
C 3 HOH 8   408 406 HOH HOH A . 
C 3 HOH 9   409 419 HOH HOH A . 
C 3 HOH 10  410 408 HOH HOH A . 
C 3 HOH 11  411 411 HOH HOH A . 
C 3 HOH 12  412 410 HOH HOH A . 
C 3 HOH 13  413 409 HOH HOH A . 
C 3 HOH 14  414 420 HOH HOH A . 
C 3 HOH 15  415 422 HOH HOH A . 
C 3 HOH 16  416 407 HOH HOH A . 
C 3 HOH 17  417 418 HOH HOH A . 
C 3 HOH 18  418 414 HOH HOH A . 
C 3 HOH 19  419 430 HOH HOH A . 
C 3 HOH 20  420 443 HOH HOH A . 
C 3 HOH 21  421 425 HOH HOH A . 
C 3 HOH 22  422 417 HOH HOH A . 
C 3 HOH 23  423 403 HOH HOH A . 
C 3 HOH 24  424 424 HOH HOH A . 
C 3 HOH 25  425 473 HOH HOH A . 
C 3 HOH 26  426 413 HOH HOH A . 
C 3 HOH 27  427 423 HOH HOH A . 
C 3 HOH 28  428 427 HOH HOH A . 
C 3 HOH 29  429 421 HOH HOH A . 
C 3 HOH 30  430 426 HOH HOH A . 
C 3 HOH 31  431 428 HOH HOH A . 
C 3 HOH 32  432 458 HOH HOH A . 
C 3 HOH 33  433 429 HOH HOH A . 
C 3 HOH 34  434 436 HOH HOH A . 
C 3 HOH 35  435 433 HOH HOH A . 
C 3 HOH 36  436 437 HOH HOH A . 
C 3 HOH 37  437 439 HOH HOH A . 
C 3 HOH 38  438 434 HOH HOH A . 
C 3 HOH 39  439 442 HOH HOH A . 
C 3 HOH 40  440 440 HOH HOH A . 
C 3 HOH 41  441 453 HOH HOH A . 
C 3 HOH 42  442 441 HOH HOH A . 
C 3 HOH 43  443 452 HOH HOH A . 
C 3 HOH 44  444 449 HOH HOH A . 
C 3 HOH 45  445 455 HOH HOH A . 
C 3 HOH 46  446 467 HOH HOH A . 
C 3 HOH 47  447 444 HOH HOH A . 
C 3 HOH 48  448 431 HOH HOH A . 
C 3 HOH 49  449 447 HOH HOH A . 
C 3 HOH 50  450 589 HOH HOH A . 
C 3 HOH 51  451 450 HOH HOH A . 
C 3 HOH 52  452 472 HOH HOH A . 
C 3 HOH 53  453 475 HOH HOH A . 
C 3 HOH 54  454 454 HOH HOH A . 
C 3 HOH 55  455 463 HOH HOH A . 
C 3 HOH 56  456 457 HOH HOH A . 
C 3 HOH 57  457 435 HOH HOH A . 
C 3 HOH 58  458 482 HOH HOH A . 
C 3 HOH 59  459 448 HOH HOH A . 
C 3 HOH 60  460 446 HOH HOH A . 
C 3 HOH 61  461 468 HOH HOH A . 
C 3 HOH 62  462 461 HOH HOH A . 
C 3 HOH 63  463 469 HOH HOH A . 
C 3 HOH 64  464 539 HOH HOH A . 
C 3 HOH 65  465 466 HOH HOH A . 
C 3 HOH 66  466 451 HOH HOH A . 
C 3 HOH 67  467 464 HOH HOH A . 
C 3 HOH 68  468 470 HOH HOH A . 
C 3 HOH 69  469 502 HOH HOH A . 
C 3 HOH 70  470 486 HOH HOH A . 
C 3 HOH 71  471 462 HOH HOH A . 
C 3 HOH 72  472 465 HOH HOH A . 
C 3 HOH 73  473 474 HOH HOH A . 
C 3 HOH 74  474 495 HOH HOH A . 
C 3 HOH 75  475 445 HOH HOH A . 
C 3 HOH 76  476 476 HOH HOH A . 
C 3 HOH 77  477 524 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  480 492 HOH HOH A . 
C 3 HOH 81  481 499 HOH HOH A . 
C 3 HOH 82  482 489 HOH HOH A . 
C 3 HOH 83  483 480 HOH HOH A . 
C 3 HOH 84  484 504 HOH HOH A . 
C 3 HOH 85  485 483 HOH HOH A . 
C 3 HOH 86  486 479 HOH HOH A . 
C 3 HOH 87  487 491 HOH HOH A . 
C 3 HOH 88  488 494 HOH HOH A . 
C 3 HOH 89  489 500 HOH HOH A . 
C 3 HOH 90  490 490 HOH HOH A . 
C 3 HOH 91  491 503 HOH HOH A . 
C 3 HOH 92  492 485 HOH HOH A . 
C 3 HOH 93  493 481 HOH HOH A . 
C 3 HOH 94  494 493 HOH HOH A . 
C 3 HOH 95  495 523 HOH HOH A . 
C 3 HOH 96  496 460 HOH HOH A . 
C 3 HOH 97  497 484 HOH HOH A . 
C 3 HOH 98  498 506 HOH HOH A . 
C 3 HOH 99  499 498 HOH HOH A . 
C 3 HOH 100 500 497 HOH HOH A . 
C 3 HOH 101 501 488 HOH HOH A . 
C 3 HOH 102 502 514 HOH HOH A . 
C 3 HOH 103 503 487 HOH HOH A . 
C 3 HOH 104 504 519 HOH HOH A . 
C 3 HOH 105 505 529 HOH HOH A . 
C 3 HOH 106 506 456 HOH HOH A . 
C 3 HOH 107 507 496 HOH HOH A . 
C 3 HOH 108 508 471 HOH HOH A . 
C 3 HOH 109 509 507 HOH HOH A . 
C 3 HOH 110 510 512 HOH HOH A . 
C 3 HOH 111 511 533 HOH HOH A . 
C 3 HOH 112 512 509 HOH HOH A . 
C 3 HOH 113 513 511 HOH HOH A . 
C 3 HOH 114 514 520 HOH HOH A . 
C 3 HOH 115 515 548 HOH HOH A . 
C 3 HOH 116 516 505 HOH HOH A . 
C 3 HOH 117 517 536 HOH HOH A . 
C 3 HOH 118 518 515 HOH HOH A . 
C 3 HOH 119 519 513 HOH HOH A . 
C 3 HOH 120 520 517 HOH HOH A . 
C 3 HOH 121 521 617 HOH HOH A . 
C 3 HOH 122 522 516 HOH HOH A . 
C 3 HOH 123 523 518 HOH HOH A . 
C 3 HOH 124 524 404 HOH HOH A . 
C 3 HOH 125 525 538 HOH HOH A . 
C 3 HOH 126 526 527 HOH HOH A . 
C 3 HOH 127 527 501 HOH HOH A . 
C 3 HOH 128 528 526 HOH HOH A . 
C 3 HOH 129 529 543 HOH HOH A . 
C 3 HOH 130 530 540 HOH HOH A . 
C 3 HOH 131 531 525 HOH HOH A . 
C 3 HOH 132 532 532 HOH HOH A . 
C 3 HOH 133 533 528 HOH HOH A . 
C 3 HOH 134 534 673 HOH HOH A . 
C 3 HOH 135 535 521 HOH HOH A . 
C 3 HOH 136 536 522 HOH HOH A . 
C 3 HOH 137 537 550 HOH HOH A . 
C 3 HOH 138 538 587 HOH HOH A . 
C 3 HOH 139 539 534 HOH HOH A . 
C 3 HOH 140 540 531 HOH HOH A . 
C 3 HOH 141 541 597 HOH HOH A . 
C 3 HOH 142 542 544 HOH HOH A . 
C 3 HOH 143 543 549 HOH HOH A . 
C 3 HOH 144 544 545 HOH HOH A . 
C 3 HOH 145 545 551 HOH HOH A . 
C 3 HOH 146 546 537 HOH HOH A . 
C 3 HOH 147 547 535 HOH HOH A . 
C 3 HOH 148 548 541 HOH HOH A . 
C 3 HOH 149 549 546 HOH HOH A . 
C 3 HOH 150 550 510 HOH HOH A . 
C 3 HOH 151 551 561 HOH HOH A . 
C 3 HOH 152 552 552 HOH HOH A . 
C 3 HOH 153 553 542 HOH HOH A . 
C 3 HOH 154 554 556 HOH HOH A . 
C 3 HOH 155 555 553 HOH HOH A . 
C 3 HOH 156 556 557 HOH HOH A . 
C 3 HOH 157 557 554 HOH HOH A . 
C 3 HOH 158 558 558 HOH HOH A . 
C 3 HOH 159 559 559 HOH HOH A . 
C 3 HOH 160 560 567 HOH HOH A . 
C 3 HOH 161 561 564 HOH HOH A . 
C 3 HOH 162 562 563 HOH HOH A . 
C 3 HOH 163 563 565 HOH HOH A . 
C 3 HOH 164 564 560 HOH HOH A . 
C 3 HOH 165 565 577 HOH HOH A . 
C 3 HOH 166 566 569 HOH HOH A . 
C 3 HOH 167 567 568 HOH HOH A . 
C 3 HOH 168 568 562 HOH HOH A . 
C 3 HOH 169 569 570 HOH HOH A . 
C 3 HOH 170 570 574 HOH HOH A . 
C 3 HOH 171 571 581 HOH HOH A . 
C 3 HOH 172 572 571 HOH HOH A . 
C 3 HOH 173 573 572 HOH HOH A . 
C 3 HOH 174 574 580 HOH HOH A . 
C 3 HOH 175 575 573 HOH HOH A . 
C 3 HOH 176 576 578 HOH HOH A . 
C 3 HOH 177 577 588 HOH HOH A . 
C 3 HOH 178 578 576 HOH HOH A . 
C 3 HOH 179 579 585 HOH HOH A . 
C 3 HOH 180 580 594 HOH HOH A . 
C 3 HOH 181 581 555 HOH HOH A . 
C 3 HOH 182 582 566 HOH HOH A . 
C 3 HOH 183 583 592 HOH HOH A . 
C 3 HOH 184 584 591 HOH HOH A . 
C 3 HOH 185 585 593 HOH HOH A . 
C 3 HOH 186 586 595 HOH HOH A . 
C 3 HOH 187 587 583 HOH HOH A . 
C 3 HOH 188 588 584 HOH HOH A . 
C 3 HOH 189 589 613 HOH HOH A . 
C 3 HOH 190 590 598 HOH HOH A . 
C 3 HOH 191 591 599 HOH HOH A . 
C 3 HOH 192 592 622 HOH HOH A . 
C 3 HOH 193 593 601 HOH HOH A . 
C 3 HOH 194 594 603 HOH HOH A . 
C 3 HOH 195 595 600 HOH HOH A . 
C 3 HOH 196 596 508 HOH HOH A . 
C 3 HOH 197 597 605 HOH HOH A . 
C 3 HOH 198 598 586 HOH HOH A . 
C 3 HOH 199 599 607 HOH HOH A . 
C 3 HOH 200 600 621 HOH HOH A . 
C 3 HOH 201 601 609 HOH HOH A . 
C 3 HOH 202 602 432 HOH HOH A . 
C 3 HOH 203 603 530 HOH HOH A . 
C 3 HOH 204 604 606 HOH HOH A . 
C 3 HOH 205 605 611 HOH HOH A . 
C 3 HOH 206 606 625 HOH HOH A . 
C 3 HOH 207 607 612 HOH HOH A . 
C 3 HOH 208 608 619 HOH HOH A . 
C 3 HOH 209 609 620 HOH HOH A . 
C 3 HOH 210 610 644 HOH HOH A . 
C 3 HOH 211 611 615 HOH HOH A . 
C 3 HOH 212 612 616 HOH HOH A . 
C 3 HOH 213 613 628 HOH HOH A . 
C 3 HOH 214 614 639 HOH HOH A . 
C 3 HOH 215 615 623 HOH HOH A . 
C 3 HOH 216 616 618 HOH HOH A . 
C 3 HOH 217 617 626 HOH HOH A . 
C 3 HOH 218 618 633 HOH HOH A . 
C 3 HOH 219 619 624 HOH HOH A . 
C 3 HOH 220 620 631 HOH HOH A . 
C 3 HOH 221 621 630 HOH HOH A . 
C 3 HOH 222 622 632 HOH HOH A . 
C 3 HOH 223 623 638 HOH HOH A . 
C 3 HOH 224 624 596 HOH HOH A . 
C 3 HOH 225 625 642 HOH HOH A . 
C 3 HOH 226 626 634 HOH HOH A . 
C 3 HOH 227 627 641 HOH HOH A . 
C 3 HOH 228 628 579 HOH HOH A . 
C 3 HOH 229 629 636 HOH HOH A . 
C 3 HOH 230 630 646 HOH HOH A . 
C 3 HOH 231 631 459 HOH HOH A . 
C 3 HOH 232 632 649 HOH HOH A . 
C 3 HOH 233 633 637 HOH HOH A . 
C 3 HOH 234 634 647 HOH HOH A . 
C 3 HOH 235 635 610 HOH HOH A . 
C 3 HOH 236 636 643 HOH HOH A . 
C 3 HOH 237 637 635 HOH HOH A . 
C 3 HOH 238 638 627 HOH HOH A . 
C 3 HOH 239 639 640 HOH HOH A . 
C 3 HOH 240 640 629 HOH HOH A . 
C 3 HOH 241 641 648 HOH HOH A . 
C 3 HOH 242 642 652 HOH HOH A . 
C 3 HOH 243 643 653 HOH HOH A . 
C 3 HOH 244 644 651 HOH HOH A . 
C 3 HOH 245 645 602 HOH HOH A . 
C 3 HOH 246 646 645 HOH HOH A . 
C 3 HOH 247 647 659 HOH HOH A . 
C 3 HOH 248 648 608 HOH HOH A . 
C 3 HOH 249 649 655 HOH HOH A . 
C 3 HOH 250 650 654 HOH HOH A . 
C 3 HOH 251 651 614 HOH HOH A . 
C 3 HOH 252 652 575 HOH HOH A . 
C 3 HOH 253 653 656 HOH HOH A . 
C 3 HOH 254 654 660 HOH HOH A . 
C 3 HOH 255 655 657 HOH HOH A . 
C 3 HOH 256 656 662 HOH HOH A . 
C 3 HOH 257 657 671 HOH HOH A . 
C 3 HOH 258 658 661 HOH HOH A . 
C 3 HOH 259 659 547 HOH HOH A . 
C 3 HOH 260 660 663 HOH HOH A . 
C 3 HOH 261 661 665 HOH HOH A . 
C 3 HOH 262 662 664 HOH HOH A . 
C 3 HOH 263 663 666 HOH HOH A . 
C 3 HOH 264 664 667 HOH HOH A . 
C 3 HOH 265 665 658 HOH HOH A . 
C 3 HOH 266 666 668 HOH HOH A . 
C 3 HOH 267 667 675 HOH HOH A . 
C 3 HOH 268 668 650 HOH HOH A . 
C 3 HOH 269 669 670 HOH HOH A . 
C 3 HOH 270 670 669 HOH HOH A . 
C 3 HOH 271 671 672 HOH HOH A . 
C 3 HOH 272 672 412 HOH HOH A . 
C 3 HOH 273 673 590 HOH HOH A . 
C 3 HOH 274 674 676 HOH HOH A . 
C 3 HOH 275 675 680 HOH HOH A . 
C 3 HOH 276 676 689 HOH HOH A . 
C 3 HOH 277 677 674 HOH HOH A . 
C 3 HOH 278 678 683 HOH HOH A . 
C 3 HOH 279 679 677 HOH HOH A . 
C 3 HOH 280 680 687 HOH HOH A . 
C 3 HOH 281 681 686 HOH HOH A . 
C 3 HOH 282 682 684 HOH HOH A . 
C 3 HOH 283 683 678 HOH HOH A . 
C 3 HOH 284 684 682 HOH HOH A . 
C 3 HOH 285 685 679 HOH HOH A . 
C 3 HOH 286 686 582 HOH HOH A . 
C 3 HOH 287 687 693 HOH HOH A . 
C 3 HOH 288 688 681 HOH HOH A . 
C 3 HOH 289 689 685 HOH HOH A . 
C 3 HOH 290 690 691 HOH HOH A . 
C 3 HOH 291 691 688 HOH HOH A . 
C 3 HOH 292 692 692 HOH HOH A . 
C 3 HOH 293 693 690 HOH HOH A . 
C 3 HOH 294 694 694 HOH HOH A . 
C 3 HOH 295 695 697 HOH HOH A . 
C 3 HOH 296 696 696 HOH HOH A . 
C 3 HOH 297 697 698 HOH HOH A . 
C 3 HOH 298 698 695 HOH HOH A . 
C 3 HOH 299 699 700 HOH HOH A . 
C 3 HOH 300 700 702 HOH HOH A . 
C 3 HOH 301 701 699 HOH HOH A . 
C 3 HOH 302 702 703 HOH HOH A . 
C 3 HOH 303 703 707 HOH HOH A . 
C 3 HOH 304 704 704 HOH HOH A . 
C 3 HOH 305 705 706 HOH HOH A . 
C 3 HOH 306 706 701 HOH HOH A . 
C 3 HOH 307 707 709 HOH HOH A . 
C 3 HOH 308 708 708 HOH HOH A . 
C 3 HOH 309 709 714 HOH HOH A . 
C 3 HOH 310 710 711 HOH HOH A . 
C 3 HOH 311 711 705 HOH HOH A . 
C 3 HOH 312 712 710 HOH HOH A . 
C 3 HOH 313 713 712 HOH HOH A . 
C 3 HOH 314 714 713 HOH HOH A . 
C 3 HOH 315 715 716 HOH HOH A . 
C 3 HOH 316 716 715 HOH HOH A . 
C 3 HOH 317 717 721 HOH HOH A . 
C 3 HOH 318 718 719 HOH HOH A . 
C 3 HOH 319 719 717 HOH HOH A . 
C 3 HOH 320 720 720 HOH HOH A . 
C 3 HOH 321 721 718 HOH HOH A . 
C 3 HOH 322 722 722 HOH HOH A . 
C 3 HOH 323 723 724 HOH HOH A . 
C 3 HOH 324 724 723 HOH HOH A . 
C 3 HOH 325 725 726 HOH HOH A . 
C 3 HOH 326 726 727 HOH HOH A . 
C 3 HOH 327 727 725 HOH HOH A . 
C 3 HOH 328 728 728 HOH HOH A . 
C 3 HOH 329 729 730 HOH HOH A . 
C 3 HOH 330 730 729 HOH HOH A . 
C 3 HOH 331 731 731 HOH HOH A . 
C 3 HOH 332 732 732 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                     9EQV 
_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                         9EQV 
_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                   9EQV 
_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                                       9EQV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.48 
_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                                     45753 
_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                                122.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.26 
_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                                   0.950 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.181 
_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                                    1.48 
_reflns_shell.d_res_low                                     1.51 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.71 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2221 
_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                                  0.357 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  1.405 
_reflns_shell.percent_possible_all                          100 
_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]                            0.325 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.325 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.650 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               22.136 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.969 
_refine.correlation_coeff_Fo_to_Fc_free          0.940 
_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                                 9EQV 
_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                            1.48 
_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                     45653 
_refine.ls_number_reflns_R_free                  2304 
_refine.ls_number_reflns_R_work                  43349 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.967 
_refine.ls_percent_reflns_R_free                 5.047 
_refine.ls_R_factor_all                          0.168 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2005 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1667 
_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                       0.058 
_refine.pdbx_overall_ESU_R_Free                  0.063 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.437 
_refine.overall_SU_ML                            0.050 
_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                       1.48 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             332 
_refine_hist.number_atoms_total               1887 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1545 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  0.012  1664 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1486 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.722  1.809  2279 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.604  1.758  3453 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.754  5.000  227  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 8.847  5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.768 10.000 256  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.534 10.000 71   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  244  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  2040 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  406  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.296  0.200  463  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.233  0.200  1480 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.187  0.200  837  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  918  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.376  0.200  271  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.225  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.337  0.200  16   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.270  0.200  61   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.318  0.200  20   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.055  2.077  845  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.022  2.075  845  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.016  3.725  1060 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.026  3.727  1061 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.414  2.464  819  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.416  2.465  818  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.278  4.322  1208 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.278  4.322  1208 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 26.155 32.189 2230 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 25.645 27.298 2102 ? 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' 1.48  1.508  . . 154 3142 100.0000 . . . . 0.381 . . . . . . . . . . . 0.388 
'X-RAY DIFFRACTION' 1.508 1.549  . . 170 3039 100.0000 . . . . 0.339 . . . . . . . . . . . 0.351 
'X-RAY DIFFRACTION' 1.549 1.594  . . 157 2994 100.0000 . . . . 0.290 . . . . . . . . . . . 0.273 
'X-RAY DIFFRACTION' 1.594 1.643  . . 145 2901 100.0000 . . . . 0.258 . . . . . . . . . . . 0.254 
'X-RAY DIFFRACTION' 1.643 1.697  . . 171 2807 100.0000 . . . . 0.223 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 1.697 1.756  . . 161 2700 100.0000 . . . . 0.197 . . . . . . . . . . . 0.248 
'X-RAY DIFFRACTION' 1.756 1.822  . . 145 2639 100.0000 . . . . 0.173 . . . . . . . . . . . 0.193 
'X-RAY DIFFRACTION' 1.822 1.896  . . 121 2555 100.0000 . . . . 0.164 . . . . . . . . . . . 0.206 
'X-RAY DIFFRACTION' 1.896 1.980  . . 128 2443 100.0000 . . . . 0.152 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 1.980 2.077  . . 114 2363 100.0000 . . . . 0.142 . . . . . . . . . . . 0.155 
'X-RAY DIFFRACTION' 2.077 2.189  . . 127 2205 100.0000 . . . . 0.137 . . . . . . . . . . . 0.146 
'X-RAY DIFFRACTION' 2.189 2.321  . . 100 2142 100.0000 . . . . 0.137 . . . . . . . . . . . 0.177 
'X-RAY DIFFRACTION' 2.321 2.480  . . 95  2008 100.0000 . . . . 0.139 . . . . . . . . . . . 0.174 
'X-RAY DIFFRACTION' 2.480 2.677  . . 112 1878 100.0000 . . . . 0.144 . . . . . . . . . . . 0.194 
'X-RAY DIFFRACTION' 2.677 2.931  . . 90  1740 100.0000 . . . . 0.149 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 2.931 3.273  . . 81  1582 100.0000 . . . . 0.149 . . . . . . . . . . . 0.194 
'X-RAY DIFFRACTION' 3.273 3.773  . . 86  1406 100.0000 . . . . 0.129 . . . . . . . . . . . 0.156 
'X-RAY DIFFRACTION' 3.773 4.605  . . 55  1226 100.0000 . . . . 0.118 . . . . . . . . . . . 0.141 
'X-RAY DIFFRACTION' 4.605 6.446  . . 53  983  100.0000 . . . . 0.168 . . . . . . . . . . . 0.253 
'X-RAY DIFFRACTION' 6.446 32.000 . . 39  596  98.7558  . . . . 0.358 . . . . . . . . . . . 0.291 
# 
_struct.entry_id                     9EQV 
_struct.title                        '41fs pulse duration 10uJ pulse energy thaumatin' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9EQV 
_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              9EQV 
_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 ? ? ? ? ? ? ? 2.003 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.029 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 2.009 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.019 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.024 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.975 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.931 ? ? 
# 
_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       6.86 
# 
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 ILE A 100 ? N ILE A 100 O VAL A 191 ? O VAL A 191 
# 
_pdbx_entry_details.entry_id                   9EQV 
_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 561 ? ? O A HOH 615 ? ? 1.31 
2  1 O   A HOH 404 ? ? O A HOH 633 ? ? 1.46 
3  1 O   A HOH 409 ? ? O A HOH 608 ? ? 1.53 
4  1 O   A HOH 421 ? ? O A HOH 499 ? ? 1.62 
5  1 O   A HOH 424 ? ? O A HOH 500 ? ? 1.70 
6  1 O   A HOH 599 ? ? O A HOH 662 ? ? 1.72 
7  1 O   A HOH 541 ? ? O A HOH 609 ? ? 1.75 
8  1 O   A HOH 558 ? ? O A HOH 630 ? ? 1.75 
9  1 O   A HOH 537 ? ? O A HOH 588 ? ? 1.79 
10 1 O   A HOH 637 ? ? O A HOH 651 ? ? 1.82 
11 1 O   A HOH 646 ? ? O A HOH 682 ? ? 1.82 
12 1 O   A PHE 90  ? ? O A HOH 401 ? ? 1.85 
13 1 O   A HOH 636 ? ? O A HOH 638 ? ? 1.86 
14 1 O   A HOH 475 ? ? O A HOH 499 ? ? 1.92 
15 1 O   A HOH 526 ? ? O A HOH 602 ? ? 1.93 
16 1 O   A HOH 446 ? ? O A HOH 684 ? ? 1.94 
17 1 O   A HOH 579 ? ? O A HOH 595 ? ? 2.04 
18 1 O   A ILE 50  ? ? O A HOH 402 ? ? 2.05 
19 1 O   A HOH 438 ? ? O A HOH 528 ? ? 2.06 
20 1 OG1 A THR 117 ? ? O A HOH 403 ? ? 2.09 
21 1 O   A HOH 468 ? ? O A HOH 550 ? ? 2.09 
22 1 O   A HOH 527 ? ? O A HOH 564 ? ? 2.09 
23 1 OE1 A GLU 168 ? A O A HOH 404 ? ? 2.12 
24 1 O   A HOH 447 ? ? O A HOH 613 ? ? 2.13 
25 1 O   A HOH 595 ? ? O A HOH 639 ? ? 2.14 
26 1 O   A HOH 432 ? ? O A HOH 519 ? ? 2.15 
27 1 O   A PRO 135 ? ? O A HOH 405 ? ? 2.16 
28 1 O   A HOH 496 ? ? O A HOH 636 ? ? 2.16 
29 1 O   A HOH 443 ? ? O A HOH 638 ? ? 2.17 
30 1 N   A ARG 29  ? ? O A HOH 406 ? ? 2.18 
31 1 O   A HOH 527 ? ? O A HOH 692 ? ? 2.18 
32 1 N   A GLY 48  ? ? O A HOH 401 ? ? 2.19 
33 1 O   A VAL 191 ? ? O A HOH 407 ? ? 2.19 
34 1 O   A HOH 491 ? ? O A HOH 524 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 414 ? ? 1_555 O A HOH 600 ? ? 3_445 1.76 
2 1 O A HOH 411 ? ? 1_555 O A HOH 456 ? ? 3_445 2.01 
3 1 O A HOH 453 ? ? 1_555 O A HOH 490 ? ? 3_445 2.08 
4 1 O A HOH 632 ? ? 1_555 O A HOH 632 ? ? 7_555 2.15 
# 
_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              29 
_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              29 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH1 
_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              29 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                117.16 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            -3.14 
_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  ? ? 54.35   -139.21 
2 1 CYS A 71  ? ? -113.26 67.17   
3 1 SER A 196 ? ? 73.18   31.05   
# 
_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            0.085 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     725 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1  1 O ? A HOH 721 ? 5.87  . 
2  1 O ? A HOH 722 ? 5.98  . 
3  1 O ? A HOH 723 ? 6.35  . 
4  1 O ? A HOH 724 ? 6.42  . 
5  1 O ? A HOH 725 ? 6.70  . 
6  1 O ? A HOH 726 ? 6.78  . 
7  1 O ? A HOH 727 ? 7.05  . 
8  1 O ? A HOH 728 ? 7.12  . 
9  1 O ? A HOH 729 ? 7.45  . 
10 1 O ? A HOH 730 ? 7.49  . 
11 1 O ? A HOH 731 ? 9.11  . 
12 1 O ? A HOH 732 ? 10.05 . 
# 
_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        13546 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      ? 
_pdbx_serial_crystallography_data_reduction.xfel_run_numbers      ? 
_pdbx_serial_crystallography_data_reduction.lattices_merged       ? 
# 
_pdbx_serial_crystallography_measurement.diffrn_id                    1 
_pdbx_serial_crystallography_measurement.pulse_energy                 10 
_pdbx_serial_crystallography_measurement.pulse_duration               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   'polymer fixed target' 
_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                    9EQV 
_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   ? 21.874  -10.981 -9.846  1.000 31.017  0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.484  -12.404 -10.016 1.000 28.459  0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.466  -12.451 -11.138 1.000 24.606  0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.704  -11.512 -11.320 1.000 25.478  0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.886  -12.961 -8.772  1.000 31.946  0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.492  -13.554 -11.888 1.000 21.484  0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.547  -13.715 -12.977 0.340 20.538  0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.573  -13.751 -12.993 0.660 21.468  0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.482  -14.715 -12.543 1.000 19.216  0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.791  -15.721 -11.963 1.000 21.246  0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.273  -14.156 -14.246 0.340 22.164  0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.330  -14.346 -14.180 0.660 25.755  0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.680  -15.506 -14.095 0.340 21.011  0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.283  -13.361 -14.562 0.660 30.429  0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.546  -13.364 -14.466 0.340 23.013  0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.410  -14.634 -15.348 0.660 27.575  0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.232  -14.374 -12.860 1.000 19.752  0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.122  -15.300 -12.693 1.000 18.422  0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.474  -15.507 -14.057 1.000 18.252  0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.123  -14.513 -14.696 1.000 22.241  0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.069  -14.639 -11.807 1.000 19.420  0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.389  -14.641 -10.322 1.000 20.236  0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.390  -13.818 -9.816  1.000 21.906  0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.711  -15.456 -9.440  1.000 21.542  0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.686  -13.793 -8.473  1.000 24.668  0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.020  -15.421 -8.089  1.000 22.082  0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 15.974  -14.567 -7.625  1.000 21.492  0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.329  -16.749 -14.460 1.000 16.692  0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.553  -17.038 -15.651 1.000 16.879  0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.194  -17.514 -15.174 1.000 16.567  0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.141  -18.433 -14.367 1.000 18.526  0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.197  -18.151 -16.469 1.000 18.256  0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.515  -18.263 -17.825 1.000 21.155  0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.053  -19.335 -18.746 1.000 24.663  0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.243  -20.451 -18.335 1.000 24.711  0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.313  -18.952 -19.889 1.000 26.959  0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.171  -16.815 -15.630 1.000 15.853  0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.792  -17.120 -15.267 1.000 16.075  0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.139  -17.762 -16.498 1.000 16.594  0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.024  -17.142 -17.549 1.000 16.747  0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.063  -15.868 -14.809 1.000 17.569  0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.825  -15.163 -13.631 1.000 21.017  0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.613   -16.211 -14.455 1.000 18.223  0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.357  -13.739 -13.388 1.000 24.799  0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.665   -18.990 -16.332 1.000 14.659  0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.172   -19.811 -17.421 1.000 15.435  0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.702   -20.152 -17.170 1.000 14.845  0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.381   -20.672 -16.107 1.000 16.388  0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 9.990   -21.093 -17.551 1.000 17.762  0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.436   -21.947 -18.706 1.000 18.878  0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.469  -20.783 -17.745 1.000 19.572  0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.833   -19.917 -18.142 1.000 13.834  0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.452   -20.311 -18.016 1.000 14.957  0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.253   -21.639 -18.761 1.000 15.197  0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.170   -21.615 -19.991 1.000 16.943  0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.514   -19.277 -18.601 1.000 14.940  0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.065   -19.700 -18.431 1.000 15.471  0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.786   -20.569 -17.607 1.000 15.795  0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.173   -19.094 -19.204 1.000 16.890  0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.191   -22.751 -18.055 1.000 14.553  0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.875   -24.053 -18.637 1.000 14.476  0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.378   -24.352 -18.586 1.000 15.299  0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.913   -25.403 -19.054 1.000 16.919  0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.726   -25.142 -18.010 1.000 15.999  0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.736   -26.486 -18.713 1.000 16.712  0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.658   -27.472 -18.065 1.000 18.214  0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.034   -27.056 -18.317 1.000 17.914  0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.054   -27.402 -17.574 1.000 22.210  0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.892   -28.161 -16.469 1.000 22.779  0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.232  -26.873 -17.849 1.000 21.669  0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.595   -23.420 -18.041 1.000 14.977  0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.155   -23.639 -17.995 1.000 15.291  0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.579   -23.574 -19.415 1.000 16.568  0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.161   -22.911 -20.290 1.000 17.056  0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.448   -22.572 -17.158 1.000 15.966  0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.101   -22.404 -15.476 1.000 16.410  0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.608  -24.160 -19.588 1.000 17.668  0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.289  -24.117 -20.876 0.770 20.192  0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.303  -24.126 -20.869 0.230 20.784  0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.012  -22.796 -21.093 1.000 23.207  0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.526  -22.555 -22.193 1.000 27.317  0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.275  -25.285 -21.039 0.770 21.639  0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.303  -25.255 -21.005 0.230 22.137  0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.235  -25.214 -19.993 0.770 23.897  0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -1.654  -26.512 -20.966 0.230 24.340  0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.092  -21.965 -20.053 1.000 18.633  0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.746  -20.690 -20.116 1.000 18.647  0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.696  -19.584 -19.933 1.000 17.795  0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.640  -19.813 -19.337 1.000 17.877  0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.829  -20.646 -19.025 1.000 20.503  0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.429  -21.110 -17.647 1.000 20.397  0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.841  -20.246 -16.713 1.000 21.429  0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.622  -22.427 -17.246 1.000 20.089  0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.462  -20.683 -15.464 1.000 23.040  0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.246  -22.865 -15.993 1.000 21.999  0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.663  -21.994 -15.087 1.000 22.379  0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.302  -22.460 -13.841 1.000 22.427  0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.057  -18.380 -20.339 1.000 17.280  0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.263  -17.181 -20.174 1.000 16.315  0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.258  -16.802 -18.694 1.000 17.304  0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.258  -16.900 -17.995 1.000 19.468  0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.782  -16.007 -20.996 1.000 18.971  0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.796  -16.486 -22.348 1.000 21.088  0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -0.929  -14.769 -20.843 1.000 18.482  0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.084  -16.397 -18.219 1.000 16.465  0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.068   -15.795 -16.914 1.000 15.721  0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.760   -14.468 -17.087 1.000 17.675  0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.459   -14.238 -18.074 1.000 18.525  0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.813   -16.678 -15.920 1.000 17.506  0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.146   -18.023 -15.730 1.000 18.253  0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.271   -16.828 -16.255 1.000 20.730  0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.555   -13.591 -16.120 1.000 15.113  0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.272   -12.343 -16.065 1.000 15.478  0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.194   -12.380 -14.863 1.000 16.610  0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.776   -12.284 -13.704 1.000 16.057  0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.325   -11.145 -16.032 1.000 16.945  0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.419  -10.908 -17.310 1.000 16.589  0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.122  -9.958  -18.239 1.000 18.960  0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.519  -11.667 -17.850 1.000 16.798  0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -1.022  -10.015 -19.266 1.000 19.645  0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.869  -11.066 -19.089 1.000 17.180  0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.251  -12.755 -17.421 1.000 17.898  0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.924  -11.522 -19.867 1.000 19.296  0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.268  -13.236 -18.220 1.000 20.116  0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.593  -12.628 -19.429 1.000 19.172  0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.469   -12.660 -15.120 1.000 14.918  0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.453   -12.753 -14.051 1.000 14.449  0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.661   -11.385 -13.412 1.000 15.498  0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.455   -10.358 -14.056 1.000 15.531  0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.778   -13.301 -14.558 1.000 16.159  0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.015   -11.400 -12.137 1.000 15.506  0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.272   -10.216 -11.335 1.000 17.655  0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.490   -10.463 -10.459 1.000 16.914  0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.745   -11.590 -10.014 1.000 16.755  0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.090   -9.892  -10.466 1.000 17.652  0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.279   -9.387  -10.234 1.000 16.742  0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.443   -9.447  -9.391  1.000 17.819  0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.605   -8.111  -8.687  1.000 18.393  0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.641   -7.082  -9.348  1.000 19.832  0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.681   -9.730  -10.187 1.000 20.667  0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.667   -8.164  -7.366  1.000 16.851  0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.665   -6.967  -6.529  1.000 18.200  0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.421   -7.262  -5.246  1.000 20.056  0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.491   -8.391  -4.792  1.000 19.703  0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.234   -6.554  -6.226  1.000 19.955  0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.158   -5.420  -5.359  1.000 24.215  0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.907   -6.198  -4.562  1.000 22.221  0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.347  -6.319  -3.179  1.000 23.692  0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.446   -5.514  -2.239  1.000 26.267  0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.843   -5.231  -1.105  1.000 30.792  0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.840  -5.979  -3.045  1.000 24.700  0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.198  -4.538  -3.399  1.000 29.198  0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.692  -4.233  -3.220  1.000 31.670  0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 13.940  -2.764  -3.203  1.000 40.604  0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.688  -2.272  -1.842  1.000 44.675  0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.232   -5.193  -2.674  1.000 23.024  0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.193   -4.666  -1.794  1.000 27.263  0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.099   -3.139  -1.863  1.000 26.839  0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 6.002   -2.601  -1.815  1.000 28.265  0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.254   -2.474  -2.053  1.000 29.695  0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.273   -1.024  -2.183  1.000 33.264  0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.805   -0.586  -3.539  1.000 34.861  0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 8.882   0.607   -3.805  1.000 36.733  0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 9.109   -0.441  -1.049  1.000 37.679  0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.591  -0.796  -1.047  1.000 44.013  0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 11.002  -1.733  -1.770  1.000 36.427  0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.355  -0.108  -0.331  1.000 50.657  0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.173   -1.541  -4.404  1.000 26.664  0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.698   -1.260  -5.722  1.000 23.578  0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.547   -2.496  -6.612  1.000 21.723  0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.605   -3.624  -6.105  1.000 23.129  0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.146  -0.917  -5.638  1.000 27.429  0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.534   -2.267  -7.914  1.000 22.172  0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.627   -3.354  -8.884  1.000 22.859  0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 11.009  -3.976  -8.821  1.000 28.691  0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.999  -3.290  -8.531  1.000 28.265  0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.346   -2.860  -10.272 1.000 25.119  0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.072  -5.270  -9.162  1.000 22.377  0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.311  -5.887  -9.561  1.000 21.013  0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.333  -5.949  -11.082 1.000 21.828  0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.392  -6.430  -11.701 1.000 23.182  0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.465  -7.275  -8.959  1.000 21.819  0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.449  -7.315  -7.426  1.000 23.453  0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.503  -8.766  -6.979  1.000 25.555  0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.619  -6.472  -6.884  1.000 26.568  0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.422  -5.462  -11.701 1.000 24.002  0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.475  -5.384  -13.156 1.000 21.270  0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.239  -4.598  -13.593 1.000 22.145  0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.878  -3.614  -12.961 1.000 24.314  0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.731  -6.766  -13.736 1.000 22.601  0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.273  -6.821  -15.167 1.000 26.820  0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.505  -6.472  -16.100 1.000 29.833  0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.426  -7.267  -15.327 1.000 26.083  0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.589  -5.016  -14.664 1.000 21.677  0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.425  -4.325  -15.184 1.000 23.704  0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.187   -4.518  -14.302 1.000 24.063  0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.202   -3.799  -14.446 1.000 28.661  0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.148  -4.799  -16.576 1.000 26.038  0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.226   -5.493  -13.396 1.000 20.446  0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.161   -5.667  -12.417 1.000 19.153  0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.021   -6.579  -12.886 1.000 20.990  0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.328   -7.145  -12.046 1.000 20.055  0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.820   -6.752  -14.184 1.000 19.603  0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.745   -7.617  -14.643 1.000 19.468  0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.764   -7.721  -16.148 1.000 20.512  0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.328   -6.870  -16.814 1.000 21.721  0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.253   -8.836  -16.657 1.000 17.846  0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.156   -9.048  -18.080 1.000 17.789  0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.183   -10.195 -18.326 1.000 17.782  0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.113   -11.145 -17.551 1.000 18.290  0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.527   -9.465  -18.619 1.000 22.213  0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.771   -8.970  -20.031 1.000 23.938  0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.879   -9.786  -20.661 1.000 25.010  0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.382   -11.070 -21.144 1.000 23.848  0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.067   -11.825 -21.981 1.000 23.884  0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.356   -11.558 -22.119 1.000 22.080  0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.469   -12.871 -22.583 1.000 22.264  0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.573   -10.174 -19.495 1.000 17.087  0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.802   -11.287 -19.989 1.000 15.856  0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.701   -12.421 -20.452 1.000 18.406  0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.712   -12.197 -21.120 1.000 18.652  0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.954   -10.800 -21.173 1.000 18.303  0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 1.029   -11.887 -21.705 1.000 19.216  0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.093   -11.382 -22.784 1.000 24.517  0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.401  -10.262 -22.709 1.000 26.722  0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.143  -12.191 -23.798 1.000 27.399  0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.323   -13.646 -20.069 1.000 15.271  0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.010   -14.845 -20.499 1.000 15.699  0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.955   -15.752 -21.090 1.000 15.805  0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.171   -16.380 -20.375 1.000 16.406  0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.735   -15.601 -19.378 1.000 16.601  0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.986   -14.989 -18.790 1.000 22.633  0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.486   -15.864 -17.669 1.000 25.884  0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 7.017   -14.872 -19.848 1.000 27.574  0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.966   -15.904 -22.402 1.000 15.833  0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.163   -16.941 -23.015 1.000 16.497  0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.739   -18.310 -22.686 1.000 15.791  0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.855   -18.437 -22.180 1.000 15.813  0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.062   -16.721 -24.517 1.000 19.179  0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.360   -15.421 -24.829 1.000 25.477  0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.393   -15.056 -24.164 1.000 27.548  0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.849   -14.706 -25.827 1.000 32.200  0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.940   -19.344 -22.937 1.000 15.510  0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.337   -20.712 -22.708 1.000 15.790  0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.648   -21.008 -23.437 1.000 15.806  0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.722   -20.935 -24.679 1.000 15.950  0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.270   -21.652 -23.139 1.000 17.962  0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.698   -22.988 -22.987 1.000 18.697  0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.657   -21.404 -22.645 1.000 14.798  0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.983   -21.694 -23.140 1.000 15.406  0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 7.014   -20.562 -23.072 1.000 16.122  0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.201   -20.823 -23.260 1.000 17.026  0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.584   -19.312 -22.870 1.000 15.431  0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.483   -18.173 -22.914 1.000 14.504  0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.340   -18.110 -21.648 1.000 15.465  0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.935   -18.546 -20.557 1.000 16.481  0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.719   -16.869 -23.077 1.000 14.530  0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.177   -16.713 -24.502 1.000 16.392  0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.584   -15.363 -24.792 1.000 18.982  0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.105   -14.664 -23.882 1.000 17.777  0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.605   -14.927 -25.959 1.000 23.445  0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.522   -17.542 -21.797 1.000 15.319  0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.502  -17.361 -20.741 1.000 17.176  0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.872  -15.888 -20.696 1.000 19.952  0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 11.065  -15.245 -21.720 1.000 19.976  0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.751  -18.172 -21.028 1.000 18.719  0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.491  -19.539 -21.194 1.000 19.256  0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.016  -15.364 -19.491 1.000 17.361  0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.368  -13.987 -19.255 1.000 17.442  0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.571  -14.020 -18.329 1.000 19.380  0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.506  -14.589 -17.256 1.000 19.527  0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.180  -13.285 -18.622 1.000 19.518  0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.385  -11.849 -18.208 1.000 22.607  0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.104  -10.896 -18.837 1.000 24.057  0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.764   -11.217 -17.073 1.000 21.241  0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.959  -9.699  -18.163 1.000 25.249  0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.172  -9.858  -17.074 1.000 24.155  0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 8.980   -11.675 -16.037 1.000 21.324  0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.744   -8.955  -16.096 1.000 22.710  0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.572   -10.790 -15.058 1.000 25.610  0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.968   -9.456  -15.084 1.000 26.399  0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.655  -13.363 -18.719 1.000 19.373  0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.835  -13.310 -17.868 1.000 20.452  0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.959  -11.916 -17.243 1.000 20.259  0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.832  -10.893 -17.950 1.000 22.454  0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.066  -13.567 -18.727 1.000 27.013  0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 16.015  -14.902 -19.223 1.000 29.121  0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.324  -13.441 -17.899 1.000 31.224  0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.055  -11.907 -15.916 1.000 20.481  0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.204  -10.662 -15.183 1.000 21.092  0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.515  -10.669 -14.415 1.000 21.748  0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.068  -11.694 -14.069 1.000 21.305  0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 14.023  -10.389 -14.251 1.000 20.810  0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.944  -11.377 -13.118 1.000 21.121  0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.735  -10.269 -15.061 1.000 23.816  0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.924  -11.003 -12.046 1.000 25.735  0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 16.968  -9.440  -14.095 1.000 22.790  0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.157  -9.266  -13.284 1.000 21.891  0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.695  -8.616  -11.995 1.000 21.436  0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.915  -7.656  -12.022 1.000 24.939  0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.172  -8.367  -13.989 1.000 29.287  0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.831  -9.098  -15.142 1.000 40.452  0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.580  -10.070 -14.939 1.000 46.408  0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.468  -8.720  -16.363 1.000 44.991  0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.122  -9.225  -10.915 1.000 22.002  0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.796  -8.803  -9.569  1.000 20.568  0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.105  -8.346  -8.929  1.000 23.424  0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.069  -9.104  -8.881  1.000 25.139  0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.141  -9.928  -8.763  1.000 22.318  0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.871  -9.474  -7.352  1.000 24.317  0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.847  -10.402 -9.415  1.000 24.525  0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.078  -7.134  -8.370  1.000 24.681  0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.298  -6.569  -7.791  1.000 25.399  0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.776  -7.436  -6.630  1.000 26.696  0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.004  -7.852  -5.781  1.000 22.260  0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 20.113  -5.121  -7.344  1.000 29.750  0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 21.414  -4.502  -6.834  1.000 41.507  0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.318  -3.074  -6.333  0.230 42.798  0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 22.178  -2.265  -6.724  0.690 51.291  0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 20.406  -2.779  -5.540  0.620 47.076  0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.083  -7.735  -6.522  1.000 24.106  0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.625  -8.370  -5.337  1.000 23.234  0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.226  -7.613  -4.074  1.000 23.149  0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.038  -6.394  -4.091  1.000 25.956  0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.156  -8.382  -5.514  1.000 26.720  0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.368  -8.068  -6.969  1.000 27.913  0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.127  -7.415  -7.512  1.000 26.790  0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.041  -8.385  -3.000  1.000 24.330  0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.674  -7.807  -1.718  1.000 25.861  0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.175  -7.613  -1.524  1.000 27.217  0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.744  -7.185  -0.446  1.000 26.942  0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.383  -7.891  -2.576  1.000 25.627  0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.941  -7.734  -2.518  1.000 24.771  0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.401  -8.612  -1.388  1.000 21.914  0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.620  -9.823  -1.328  1.000 23.312  0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.302  -8.092  -3.859  1.000 24.616  0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.712  -7.109  -4.805  1.000 24.836  0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.775  -8.105  -3.766  1.000 26.806  0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.640  -7.994  -0.486  1.000 22.128  0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.075  -8.684  0.653   1.000 23.551  0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.557  -8.617  0.521   1.000 23.504  0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 13.995  -7.571  0.220   1.000 25.346  0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.488  -7.985  1.949   1.000 27.919  0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 15.948  -8.650  3.183   1.000 41.902  0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 14.994  -8.152  3.795   1.000 54.704  0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 16.534  -9.777  3.549   1.000 50.696  0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.901  -9.761  0.668   1.000 22.888  0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.443  -9.764  0.682   1.000 23.249  0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.821  -9.623  -0.710  1.000 21.619  0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.735  -9.046  -0.885  1.000 21.816  0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.477  -10.168 -1.729  1.000 18.854  0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.901  -10.209 -3.051  1.000 16.381  0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.899  -11.355 -3.202  1.000 16.650  0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.037  -12.392 -2.560  1.000 17.871  0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.921   -11.150 -4.092  1.000 17.967  0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.946   -12.174 -4.383  1.000 16.804  0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.649   -12.174 -5.878  1.000 16.663  0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.653   -11.144 -6.528  1.000 17.834  0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.654   -11.922 -3.623  1.000 16.975  0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.819   -11.841 -2.123  1.000 19.299  0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.522   -11.806 -1.334  1.000 22.875  0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.714   -11.386 0.117   1.000 23.416  0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.568   -12.228 0.921   1.000 24.782  0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.379   -13.374 -6.375  1.000 15.292  0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.902   -13.554 -7.746  1.000 16.035  0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.616   -14.361 -7.647  1.000 15.373  0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.533   -15.324 -6.880  1.000 16.131  0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.939   -14.292 -8.613  1.000 17.362  0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.102  -13.356 -8.901  1.000 17.959  0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.334   -14.840 -9.916  1.000 18.148  0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.361  -14.083 -9.358  1.000 20.052  0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.637   -13.986 -8.452  1.000 14.636  0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.358   -14.695 -8.488  1.000 14.474  0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.777   -14.585 -9.887  1.000 15.683  0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.230   -13.788 -10.726 1.000 15.245  0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.406   -14.182 -7.401  1.000 14.942  0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.861   -12.803 -7.568  1.000 14.904  0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.629   -12.432 -8.014  1.000 15.234  0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.547   -11.565 -7.241  1.000 16.137  0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.490   -11.071 -7.981  1.000 16.489  0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.638   -10.528 -7.474  1.000 16.439  0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.828   -11.264 -6.759  1.000 18.539  0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 2.987   -9.195  -7.313  1.000 17.273  0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.161   -9.928  -6.595  1.000 18.327  0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.229   -8.930  -6.799  1.000 18.630  0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.724   -15.384 -10.114 1.000 15.179  0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.958   -15.330 -11.333 1.000 15.221  0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.620   -14.696 -11.012 1.000 14.525  0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.077   -14.826 -9.901  1.000 16.428  0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.712   -16.702 -11.918 1.000 16.511  0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.103   -14.000 -12.004 1.000 14.754  0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.250  -13.452 -11.987 1.000 14.606  0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.047  -14.062 -13.116 1.000 16.075  0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.481  -14.336 -14.180 1.000 16.054  0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.212  -11.932 -12.194 1.000 14.681  0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.405  -11.206 -11.138 1.000 15.098  0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.149  -9.763  -11.476 1.000 16.073  0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.835   -9.647  -12.551 1.000 15.785  0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.210   -8.503  -13.106 1.000 16.828  0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.525   -7.401  -12.826 1.000 18.502  0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.213   -8.478  -13.952 1.000 18.703  0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.333  -14.338 -12.866 1.000 15.850  0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.198  -14.988 -13.833 1.000 16.766  0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.344  -14.064 -14.214 1.000 16.962  0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.746  -13.177 -13.453 1.000 17.245  0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.733  -16.332 -13.359 1.000 18.398  0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.469  -16.092 -12.158 1.000 19.976  0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.616  -17.325 -13.079 1.000 20.878  0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.834  -14.312 -15.444 1.000 17.984  0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.019  -13.641 -15.987 1.000 20.081  0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.901  -12.125 -15.869 1.000 20.554  0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.728  -11.456 -15.229 1.000 21.111  0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.256  -14.205 -15.323 1.000 21.615  0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.541  -15.647 -15.710 1.000 26.363  0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.523  -15.916 -16.908 0.520 26.422  0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.706  -16.471 -14.802 0.640 29.587  0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.874  -11.561 -16.503 1.000 18.397  0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.641  -10.131 -16.471 1.000 19.001  0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.122  -9.469  -17.759 1.000 21.889  0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.054  -10.045 -18.840 1.000 22.320  0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.159  -9.775  -16.366 1.000 18.893  0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.287  -10.492 -14.953 1.000 18.636  0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.567  -8.220  -17.596 1.000 22.108  0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.831  -7.292  -18.694 0.590 24.468  0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.806  -7.312  -18.706 0.410 25.976  0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.050  -6.012  -18.450 1.000 26.830  0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.226  -5.377  -17.421 1.000 30.177  0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.330  -6.979  -18.787 0.590 25.361  0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.292  -7.001  -18.898 0.410 28.699  0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.074  -8.229  -19.202 0.590 26.786  0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.459  -5.689  -19.650 0.410 32.288  0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.504  -9.146  -18.258 0.590 25.157  0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.322  -5.642  -21.030 0.410 36.672  0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.185  -8.585  -20.549 0.590 29.469  0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.670  -4.490  -18.973 0.410 35.896  0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -10.120 -10.327 -18.628 0.590 27.530  0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.436  -4.452  -21.724 0.410 35.889  0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -9.803  -9.765  -20.932 0.590 27.719  0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.760  -3.290  -19.653 0.410 36.023  0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.269 -10.634 -19.972 0.590 27.819  0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -8.659  -3.276  -21.034 0.410 38.622  0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.814 -11.827 -20.279 0.590 32.825  0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -8.777  -2.111  -21.727 0.410 42.043  0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.246  -5.587  -19.432 1.000 26.864  0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.519  -4.346  -19.328 1.000 27.807  0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.748  -3.542  -20.605 1.000 29.364  0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -4.891  -4.124  -21.671 1.000 34.350  0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -3.019  -4.579  -19.190 1.000 27.319  0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.655  -5.251  -17.877 1.000 24.439  0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.708  -4.533  -16.697 1.000 25.108  0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.285  -6.585  -17.823 1.000 23.051  0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.423  -5.132  -15.493 1.000 25.200  0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.953  -7.161  -16.624 1.000 23.190  0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.019  -6.442  -15.455 1.000 21.642  0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.759  -2.228  -20.444 1.000 34.221  0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.911  -1.325  -21.571 1.000 37.698  0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.509  -0.952  -22.047 1.000 42.157  0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.506  -1.523  -21.608 1.000 39.665  0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.786  -0.155  -21.147 1.000 35.662  0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.112  0.823   -20.206 1.000 41.101  0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.868  0.725   -20.025 1.000 38.512  0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.832  1.642   -19.615 1.000 50.972  0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.444  0.047   -22.946 1.000 51.886  0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.187  0.495   -23.528 1.000 54.123  0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.234  1.084   -22.491 1.000 47.421  0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? -0.021  0.927   -22.639 1.000 52.860  0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.416  1.464   -24.681 1.000 58.555  0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -2.432  0.778   -26.037 0.650 58.107  0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -3.050  -0.307  -26.127 1.000 53.923  0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.807  1.323   -26.975 0.550 62.273  0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.759  1.749   -21.450 1.000 43.619  0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.906  2.355   -20.435 1.000 44.904  0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.392  1.336   -19.398 1.000 42.460  0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.301   1.713   -18.467 1.000 42.597  0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.619  3.514   -19.767 1.000 52.193  0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.753  3.097   -19.010 1.000 60.059  0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.749  0.057   -19.524 1.000 37.237  0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.327  -0.940  -18.547 1.000 36.022  0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.184  -0.939  -17.277 1.000 30.836  0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.705  -1.333  -16.210 1.000 28.323  0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.428  -0.461  -17.400 1.000 31.484  0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.348  -0.367  -16.275 0.590 31.525  0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.369  -0.331  -16.301 0.410 30.173  0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.512  -1.316  -16.525 1.000 29.047  0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -4.990  -1.459  -17.647 1.000 28.153  0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.829  1.064   -16.049 0.590 34.452  0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.871  1.105   -16.232 0.410 30.502  0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.800  1.863   -15.481 0.590 35.431  0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.808  1.284   -15.182 0.410 29.066  0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -4.951  -2.017  -15.473 1.000 25.752  0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -6.000  -2.978  -15.662 1.000 25.445  0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.345  -3.719  -14.373 1.000 22.485  0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.379  -3.127  -13.305 1.000 21.895  0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.635  -5.013  -14.518 1.000 20.512  0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.085  -5.812  -13.399 1.000 19.594  0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.741  -7.276  -13.686 1.000 19.293  0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.775  -7.706  -14.824 1.000 21.059  0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.588  -5.673  -13.130 1.000 21.667  0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -9.022  -6.498  -11.926 1.000 28.002  0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.401  -6.103  -14.340 1.000 23.494  0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -9.212  -5.747  -10.635 1.000 37.905  0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.396  -8.023  -12.630 1.000 18.492  0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.209  -9.473  -12.692 1.000 17.441  0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.066  -10.133 -11.617 1.000 17.965  0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.331  -9.535  -10.586 1.000 18.722  0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.778  -9.895  -12.392 1.000 17.677  0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.557  -9.132  -13.483 0.920 17.452  0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.488  -11.365 -11.862 1.000 19.602  0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.340  -12.089 -10.919 1.000 18.931  0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.555  -12.680 -9.761  1.000 20.027  0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.100  -12.891 -8.693  1.000 20.218  0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.157  -13.175 -11.595 1.000 20.436  0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.207 -12.577 -12.477 1.000 23.986  0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.335 -13.535 -12.712 1.000 26.832  0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.275 -12.843 -13.638 1.000 32.189  0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.109 -13.876 -14.222 1.000 37.088  0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.259  -13.006 -9.936  1.000 16.797  0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.411  -13.374 -8.823  1.000 17.961  0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.139  -12.537 -8.917  1.000 17.626  0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.646  -12.275 -10.017 1.000 16.787  0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.061  -14.878 -8.796  1.000 19.159  0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.284  -15.289 -9.925  1.000 16.854  0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.298  -15.765 -8.684  1.000 18.628  0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.601  -12.140 -7.749  1.000 16.266  0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.305  -11.520 -7.653  1.000 17.154  0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.228  -10.090 -8.177  1.000 17.257  0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.131  -9.597  -8.363  1.000 17.168  0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.365  -9.410  -8.335  1.000 16.585  0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.336  -8.041  -8.830  1.000 17.489  0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.492  -7.168  -7.912  1.000 18.468  0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.668  -7.213  -6.702  1.000 18.573  0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.757  -7.513  -8.907  1.000 17.940  0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.866  -6.155  -9.562  1.000 23.081  0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.699  -6.126  -10.756 1.000 26.416  0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.051  -5.166  -8.829  1.000 28.406  0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.625  -6.324  -8.497  1.000 18.014  0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.753  -5.426  -7.731  1.000 20.819  0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.146  -3.964  -7.967  1.000 22.782  0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.484  -3.257  -8.730  1.000 24.019  0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.723   -5.598  -8.066  1.000 19.687  0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.082   -5.292  -9.809  1.000 21.367  0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.325  -3.610  -7.489  1.000 23.420  0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.865  -2.267  -7.632  1.000 25.633  0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.125  -1.890  -9.083  1.000 25.296  0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -2.996  -0.742  -9.473  1.000 26.504  0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.509  -2.856  -9.902  1.000 22.386  0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -3.996  -2.598  -11.237 1.000 23.643  0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.918  -2.350  -12.283 1.000 24.915  0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.249  -1.867  -13.356 1.000 28.956  0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.662  -2.633  -11.978 1.000 22.568  0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.553  -2.316  -12.871 1.000 22.414  0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? 0.017   -3.590  -13.483 1.000 23.322  0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.074   -4.616  -12.814 1.000 23.687  0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.554   -1.603  -12.119 1.000 25.892  0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.157   -0.251  -11.509 1.000 31.563  0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.387   0.285   -10.813 1.000 31.307  0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.420  0.679   -12.558 1.000 31.479  0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.387   -3.500  -14.749 1.000 21.148  0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.121   -4.559  -15.440 1.000 24.362  0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.469   -4.708  -14.744 1.000 22.953  0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.926   -5.811  -14.403 1.000 22.616  0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.262   -4.265  -16.940 1.000 25.824  0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.207   -5.190  -17.721 1.000 28.012  0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.750   -6.624  -17.607 1.000 29.697  0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.254   -4.740  -19.165 1.000 30.554  0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.150   -3.576  -14.523 1.000 23.353  0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.472   -3.576  -13.957 1.000 25.026  0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.372   -3.337  -12.464 1.000 26.906  0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.251   -2.199  -12.004 1.000 27.751  0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.313   -2.509  -14.696 1.000 25.750  0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.628   -2.903  -16.131 1.000 31.036  0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.229   -1.741  -16.959 1.000 36.575  0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 7.062   -2.260  -18.049 0.410 40.344  0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 6.722   -2.398  -19.330 0.480 46.468  0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 5.449   -2.460  -19.707 0.630 45.085  0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 7.684   -2.550  -20.229 0.800 51.149  0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.415   -4.410  -11.665 1.000 22.772  0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.157   -4.302  -10.244 1.000 21.094  0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.271   -3.591  -9.476  1.000 26.264  0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.443   -3.900  -9.681  1.000 28.881  0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.029   -5.680  -9.596  1.000 20.963  0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.591   -6.579  -10.239 1.000 20.767  0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.866   -2.660  -8.589  1.000 25.159  0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.759   -2.011  -7.640  1.000 30.090  0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.517   -2.565  -6.248  1.000 29.582  0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.393   -2.519  -5.385  1.000 37.324  0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.508   -0.496  -7.740  1.000 36.762  0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 6.336   0.412   -6.836  0.470 43.400  0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 5.684   0.947   -5.564  0.430 52.463  0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 6.353   2.224   -5.115  0.730 60.422  0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 6.016   2.595   -3.734  0.960 67.116  0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.327   -3.133  -6.019  1.000 24.816  0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.946   -3.619  -4.714  1.000 25.471  0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.536   -5.084  -4.847  1.000 22.845  0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.459   -5.590  -5.954  1.000 22.574  0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.765   -2.851  -4.099  1.000 29.296  0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 1.431   -3.012  -4.809  1.000 36.929  0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 0.211   -2.523  -4.009  0.390 43.020  0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? -0.935  -3.376  -4.340  0.470 48.264  0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? -1.388  -4.360  -3.572  0.250 51.396  0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? -0.983  -4.458  -2.316  0.440 55.616  0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? -2.252  -5.233  -4.064  1.000 54.851  0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.345   -5.744  -3.713  1.000 21.850  0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.911   -7.137  -3.714  1.000 19.558  0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.453   -7.286  -4.123  1.000 20.942  0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.673   -6.343  -4.162  1.000 23.748  0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.138   -7.764  -2.355  1.000 19.869  0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.579   -7.829  -1.916  1.000 20.327  0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.587   -8.203  -2.798  1.000 21.464  0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.895   -7.564  -0.606  1.000 23.642  0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.892   -8.314  -2.365  1.000 22.177  0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.211   -7.657  -0.182  1.000 24.840  0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.190   -8.017  -1.070  1.000 22.209  0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.153   -8.496  -4.558  1.000 19.391  0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.127  -8.810  -5.181  1.000 17.717  0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.174  -9.241  -4.142  1.000 16.779  0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.854  -9.748  -3.054  1.000 19.706  0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.427  -9.150  -4.593  1.000 17.854  0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.578  -9.555  -3.812  1.000 18.224  0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.658  -11.071 -3.798  1.000 17.216  0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.623  -11.730 -4.838  1.000 17.359  0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.851  -8.977  -4.426  1.000 21.954  0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.149  -9.244  -3.679  1.000 28.017  0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.244  -8.311  -4.235  1.000 32.380  0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.451  -8.266  -3.404  0.700 36.974  0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.446  -9.135  -3.494  1.000 34.042  0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.410  -10.045 -4.452  0.720 34.834  0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.395 -9.189  -2.579  0.430 30.466  0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.823  -11.709 -2.626  1.000 17.166  0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.031  -13.142 -2.559  1.000 15.940  0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.254  -13.542 -3.348  1.000 16.530  0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.217  -12.768 -3.457  1.000 17.369  0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.218  -13.484 -1.071  1.000 18.155  0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.677  -12.264 -0.390  1.000 22.092  0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.751  -11.070 -1.301  1.000 20.150  0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.323  -14.781 -3.826  1.000 16.600  0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.356  -15.821 -3.514  1.000 15.233  0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.188  -15.827 -4.497  1.000 15.906  0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.388  -15.693 -5.691  1.000 16.752  0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.206  -17.075 -3.614  1.000 17.221  0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.236  -16.763 -4.671  1.000 21.040  0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.496  -15.306 -4.550  1.000 19.215  0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.986  -16.040 -3.993  1.000 14.858  0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.767  -16.045 -4.803  1.000 14.262  0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.206   -17.058 -4.237  1.000 14.635  0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.719   -16.849 -3.139  1.000 16.567  0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.055  -14.693 -4.802  1.000 15.432  0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.143   -14.284 -3.439  1.000 18.202  0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.843  -13.619 -5.524  1.000 17.163  0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.578   -18.072 -4.997  1.000 14.463  0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.714   -18.896 -4.641  1.000 14.525  0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.953   -17.994 -4.736  1.000 15.136  0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.062   -17.266 -5.726  1.000 15.723  0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.839   -20.074 -5.599  1.000 15.349  0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.536   -20.567 -5.947  1.000 15.824  0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.738   -21.147 -5.049  1.000 16.913  0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.833   -18.011 -3.741  1.000 14.495  0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.953   -17.084 -3.762  1.000 14.421  0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.297   -17.785 -3.815  1.000 15.202  0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.603   -18.648 -2.990  1.000 16.612  0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.884   -16.235 -2.494  1.000 15.082  0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.708   -15.262 -2.401  1.000 16.547  0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.641   -14.647 -1.015  1.000 18.527  0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.821   -14.208 -3.425  1.000 18.951  0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.173   -17.296 -4.701  1.000 14.798  0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.589   -17.599 -4.669  1.000 14.712  0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.246   -16.415 -3.953  1.000 14.725  0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.082   -15.280 -4.354  1.000 17.497  0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.140   -17.730 -6.058  1.000 15.692  0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.926   -16.721 -2.865  1.000 15.349  0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.483  -15.717 -1.985  1.000 14.758  0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 11.993  -15.888 -1.892  1.000 15.282  0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.491  -17.006 -1.806  1.000 17.757  0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.902   -15.828 -0.582  1.000 16.581  0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.380   -15.809 -0.571  1.000 17.200  0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.799   -15.877 0.835   1.000 18.005  0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.146   -16.760 1.655   1.000 18.971  0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.963   -14.988 1.056   1.000 20.780  0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.693  -14.745 -1.842  1.000 16.245  0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.136  -14.838 -1.808  1.000 17.755  0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.757  -13.609 -1.161  1.000 17.106  0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.267  -12.482 -1.270  1.000 18.574  0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.684  -15.036 -3.233  1.000 17.994  0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.134  -14.086 -4.257  1.000 16.498  0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 12.946  -14.404 -4.922  1.000 19.995  0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 14.717  -12.864 -4.522  1.000 19.901  0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 12.405  -13.533 -5.861  1.000 21.556  0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 14.160  -12.002 -5.444  1.000 21.651  0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 12.988  -12.334 -6.092  1.000 22.071  0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.882  -13.878 -0.493  1.000 18.917  0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.767  -12.833 0.016   1.000 19.629  0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.180  -13.210 -0.408  1.000 16.922  0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.585  -14.352 -0.190  1.000 21.706  0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.610  -12.674 1.548   1.000 22.339  0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.336  -12.138 1.892   1.000 24.017  0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.851  -12.278 -1.110  1.000 18.425  0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.119  -12.569 -1.773  1.000 20.497  0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.267  -11.886 -1.016  1.000 20.307  0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.120  -10.766 -0.536  1.000 23.572  0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.061  -12.039 -3.200  1.000 20.603  0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.852  -12.446 -4.064  1.000 21.486  0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.992  -11.814 -5.424  1.000 23.723  0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.767  -13.913 -4.096  1.000 21.235  0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.375  -12.606 -0.952  1.000 23.102  0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.658  -12.048 -0.484  1.000 22.690  0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.507  -11.563 0.957   1.000 24.093  0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.866  -10.432 1.273   1.000 25.841  0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.169  -10.919 -1.370  1.000 22.312  0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.268  -11.339 -2.818  1.000 25.611  0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 23.387  -10.957 -3.594  1.000 25.447  0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 25.236  -12.165 -3.190  1.000 25.951  0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.977  -12.451 1.789   1.000 23.407  0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.757  -12.157 3.200   1.000 24.839  0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.868  -12.850 3.968   1.000 23.455  0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.871  -14.056 4.151   1.000 23.311  0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.387  -12.644 3.646   1.000 25.197  0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.266  -12.020 2.831   1.000 30.058  0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.153  -10.534 3.047   1.000 33.833  0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.075  -10.047 4.186   1.000 41.041  0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.161  -9.783  1.958   1.000 33.487  0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.920  -12.073 4.255   1.000 27.498  0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.090  -12.646 4.923   1.000 27.469  0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.652  -13.839 4.156   1.000 26.951  0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.991  -14.869 4.731   1.000 29.007  0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.815  -12.976 6.398   1.000 28.568  0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.400  -11.743 7.173   1.000 34.880  0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.338  -10.833 7.677   1.000 36.411  0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 24.054  -11.464 7.369   1.000 42.322  0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.935  -9.711  8.390   1.000 43.972  0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.638  -10.339 8.068   1.000 44.819  0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.581  -9.466  8.588   1.000 52.257  0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 24.118  -8.374  9.268   1.000 51.607  0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.787  -13.687 2.820   1.000 26.449  0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.414  -14.711 2.004   1.000 28.165  0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.458  -15.786 1.468   1.000 28.044  0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.891  -16.714 0.786   1.000 26.336  0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.161  -15.701 1.801   1.000 25.410  0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.266  -16.809 1.473   1.000 25.979  0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 23.000  -16.229 0.852   1.000 19.940  0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.632  -15.104 1.137   1.000 21.818  0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.851  -17.629 2.695   1.000 32.881  0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 24.937  -18.443 3.406   1.000 37.903  0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.609  -19.438 2.473   1.000 46.612  0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.399  -20.509 3.177   1.000 53.638  0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 27.038  -21.371 2.170   1.000 58.202  0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.400  -16.992 -0.066  1.000 23.172  0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.047  -16.695 -0.540  1.000 20.925  0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.040  -17.620 0.152   1.000 19.493  0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.324  -18.754 0.473   1.000 21.054  0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.931  -16.980 -2.032  1.000 21.990  0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.699  -16.099 -2.996  1.000 25.878  0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.317  -15.091 -2.572  1.000 20.826  0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.627  -16.403 -4.214  1.000 22.890  0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.807  -17.123 0.387   1.000 20.151  0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.767  -17.924 0.990   1.000 20.237  0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.529  -17.891 0.099   1.000 18.715  0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.066  -16.801 -0.253  1.000 22.273  0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.429  -17.309 2.332   1.000 21.469  0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.563  -17.366 3.334   1.000 23.164  0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.832  -18.547 3.973   1.000 24.792  0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.454  -16.305 3.479   1.000 27.967  0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.909  -18.672 4.842   1.000 29.325  0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.532  -16.412 4.351   1.000 28.972  0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.743  -17.593 5.040   1.000 29.162  0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.771  -17.737 5.928   1.000 32.514  0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.040  -19.062 -0.229  1.000 18.366  0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.863  -19.165 -1.106  1.000 18.096  0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.833  -20.067 -0.439  1.000 19.510  0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.119  -20.982 0.339   1.000 20.063  0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.202  -19.676 -2.511  1.000 20.003  0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.558  -21.174 -2.505  1.000 21.846  0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.298  -18.787 -3.096  1.000 21.242  0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.775  -21.793 -3.882  1.000 23.841  0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.574  -19.800 -0.777  1.000 17.134  0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.492  -20.657 -0.337  1.000 16.744  0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.285  -20.427 -1.249  1.000 16.712  0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.217  -19.473 -2.024  1.000 16.429  0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.111  -20.364 1.108   1.000 19.579  0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.479  -19.014 1.360   1.000 18.843  0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.273   -18.832 1.078   1.000 17.969  0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.190  -18.088 1.754   1.000 20.838  0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.342   -21.364 -1.136  1.000 16.793  0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 8.001   -21.164 -1.651  1.000 15.105  0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.070   -21.079 -0.455  1.000 15.718  0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.236   -21.790 0.541   1.000 16.927  0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.592   -22.285 -2.613  1.000 18.125  0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.411   -22.224 -3.888  1.000 20.381  0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.105   -22.221 -2.944  1.000 21.285  0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.143   -23.397 -4.796  1.000 24.117  0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.073   -20.208 -0.606  1.000 14.882  0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.129   -19.956 0.470   1.000 15.112  0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.719   -20.036 -0.051  1.000 15.320  0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.412   -19.461 -1.092  1.000 16.314  0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.384   -18.634 1.083   1.000 15.385  0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.406   -18.295 2.061   1.000 17.883  0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.845   -20.656 0.777   1.000 14.943  0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.396   -20.662 0.616   1.000 14.350  0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.734   -19.851 1.737   1.000 15.175  0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.493  -19.913 1.917   1.000 16.084  0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.839   -22.083 0.679   1.000 15.910  0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.126   -22.901 -0.558  1.000 17.994  0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.063   -22.379 -1.662  1.000 18.854  0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.463   -24.153 -0.396  1.000 18.935  0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.490   -18.967 2.401   1.000 14.261  0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.890   -18.157 3.471   1.000 14.588  0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.133  -17.174 2.943   1.000 16.600  0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.029  -16.771 3.706   1.000 16.177  0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.034   -17.478 4.267   1.000 16.582  0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.846   -18.471 5.069   1.000 20.207  0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.553   -16.330 5.119   1.000 19.836  0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.142   -17.946 5.645   1.000 21.549  0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? 0.011   -16.761 1.676   1.000 15.177  0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.916  -15.872 0.981   1.000 15.590  0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.725  -16.672 -0.043  1.000 15.283  0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.228  -16.096 -0.997  1.000 16.131  0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.192  -14.675 0.345   1.000 18.436  0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.544   -13.879 1.386   1.000 23.587  0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.477  -13.056 2.141   1.000 31.632  0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.216   -12.153 3.110   1.000 40.997  0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.804  -11.402 3.850   1.000 44.215  0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.917  -17.953 0.221   1.000 14.378  0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.725  -18.815 -0.620  1.000 14.334  0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.970  -19.311 -1.849  1.000 14.857  0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.748  -19.200 -1.926  1.000 17.772  0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.750  -19.890 -2.741  1.000 14.694  0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.201  -20.618 -3.877  1.000 15.357  0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.036  -20.300 -5.094  1.000 15.916  0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.249  -20.307 -5.058  1.000 15.803  0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.199  -22.116 -3.603  1.000 15.676  0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.732  -22.996 -4.752  1.000 14.704  0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.584  -23.290 -5.801  1.000 16.268  0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.456  -23.541 -4.725  1.000 16.482  0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.150  -24.124 -6.836  1.000 18.335  0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.032  -24.374 -5.748  1.000 17.547  0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.884  -24.688 -6.777  1.000 17.283  0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.374  -19.978 -6.197  1.000 14.984  0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.088  -19.809 -7.453  1.000 14.009  0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.531  -20.685 -8.564  1.000 16.320  0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.310  -21.308 -9.287  1.000 18.411  0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.130  -18.371 -7.908  1.000 15.047  0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.804  -17.655 -8.108  1.000 14.145  0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.733  -18.106 -7.687  1.000 15.426  0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.888  -16.597 -8.875  1.000 16.048  0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.218  -20.755 -8.717  1.000 15.682  0 110 VAL A N   1 ? 
ATOM   845  C CA  A VAL A 1 110 ? -0.583  -21.476 -9.815  0.800 16.054  0 110 VAL A CA  1 ? 
ATOM   846  C CA  B VAL A 1 110 ? -0.603  -21.496 -9.807  0.200 15.713  0 110 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 110 ? 0.499   -22.357 -9.210  1.000 15.056  0 110 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 110 ? 1.264   -21.904 -8.336  1.000 16.734  0 110 VAL A O   1 ? 
ATOM   849  C CB  A VAL A 1 110 ? 0.003   -20.443 -10.804 0.800 18.892  0 110 VAL A CB  1 ? 
ATOM   850  C CB  B VAL A 1 110 ? -0.025  -20.576 -10.900 0.200 16.362  0 110 VAL A CB  1 ? 
ATOM   851  C CG1 A VAL A 1 110 ? 0.985   -21.019 -11.812 0.800 20.994  0 110 VAL A CG1 1 ? 
ATOM   852  C CG1 B VAL A 1 110 ? 1.288   -19.947 -10.469 0.200 16.060  0 110 VAL A CG1 1 ? 
ATOM   853  C CG2 A VAL A 1 110 ? -1.098  -19.649 -11.512 0.800 17.953  0 110 VAL A CG2 1 ? 
ATOM   854  C CG2 B VAL A 1 110 ? 0.190   -21.289 -12.225 0.200 17.055  0 110 VAL A CG2 1 ? 
ATOM   855  N N   . PRO A 1 111 ? 0.688   -23.595 -9.683  1.000 14.807  0 111 PRO A N   1 ? 
ATOM   856  C CA  . PRO A 1 111 ? 1.756   -24.446 -9.202  1.000 14.367  0 111 PRO A CA  1 ? 
ATOM   857  C C   . PRO A 1 111 ? 3.100   -23.889 -9.656  1.000 15.147  0 111 PRO A C   1 ? 
ATOM   858  O O   . PRO A 1 111 ? 3.170   -23.239 -10.705 1.000 15.593  0 111 PRO A O   1 ? 
ATOM   859  C CB  . PRO A 1 111 ? 1.467   -25.820 -9.814  1.000 16.716  0 111 PRO A CB  1 ? 
ATOM   860  C CG  . PRO A 1 111 ? 0.596   -25.506 -10.973 1.000 20.096  0 111 PRO A CG  1 ? 
ATOM   861  C CD  . PRO A 1 111 ? -0.163  -24.248 -10.690 1.000 16.531  0 111 PRO A CD  1 ? 
ATOM   862  N N   . MET A 1 112 ? 4.149   -24.180 -8.876  1.000 16.209  0 112 MET A N   1 ? 
ATOM   863  C CA  . MET A 1 112 ? 5.449   -23.534 -9.076  1.000 16.689  0 112 MET A CA  1 ? 
ATOM   864  C C   . MET A 1 112 ? 6.587   -24.434 -8.642  1.000 16.649  0 112 MET A C   1 ? 
ATOM   865  O O   . MET A 1 112 ? 6.519   -25.127 -7.633  1.000 17.892  0 112 MET A O   1 ? 
ATOM   866  C CB  . MET A 1 112 ? 5.459   -22.235 -8.238  1.000 20.667  0 112 MET A CB  1 ? 
ATOM   867  C CG  . MET A 1 112 ? 6.744   -21.486 -8.162  1.000 27.846  0 112 MET A CG  1 ? 
ATOM   868  S SD  . MET A 1 112 ? 6.505   -20.237 -6.873  1.000 24.734  0 112 MET A SD  1 ? 
ATOM   869  C CE  . MET A 1 112 ? 5.393   -19.114 -7.700  1.000 25.259  0 112 MET A CE  1 ? 
ATOM   870  N N   . ASP A 1 113 ? 7.685   -24.346 -9.404  1.000 16.606  0 113 ASP A N   1 ? 
ATOM   871  C CA  . ASP A 1 113 ? 8.993   -24.862 -9.029  1.000 16.266  0 113 ASP A CA  1 ? 
ATOM   872  C C   . ASP A 1 113 ? 9.959   -23.691 -8.941  1.000 16.338  0 113 ASP A C   1 ? 
ATOM   873  O O   . ASP A 1 113 ? 9.919   -22.808 -9.802  1.000 17.733  0 113 ASP A O   1 ? 
ATOM   874  C CB  . ASP A 1 113 ? 9.486   -25.860 -10.054 1.000 18.035  0 113 ASP A CB  1 ? 
ATOM   875  C CG  . ASP A 1 113 ? 10.846  -26.464 -9.749  1.000 21.547  0 113 ASP A CG  1 ? 
ATOM   876  O OD1 . ASP A 1 113 ? 10.870  -27.533 -9.121  1.000 22.320  0 113 ASP A OD1 1 ? 
ATOM   877  O OD2 . ASP A 1 113 ? 11.841  -25.797 -10.032 1.000 21.774  0 113 ASP A OD2 1 ? 
ATOM   878  N N   . PHE A 1 114 ? 10.793  -23.659 -7.898  1.000 16.601  0 114 PHE A N   1 ? 
ATOM   879  C CA  . PHE A 1 114 ? 11.766  -22.593 -7.736  1.000 16.204  0 114 PHE A CA  1 ? 
ATOM   880  C C   . PHE A 1 114 ? 13.114  -23.249 -7.484  1.000 18.272  0 114 PHE A C   1 ? 
ATOM   881  O O   . PHE A 1 114 ? 13.294  -23.861 -6.439  1.000 19.002  0 114 PHE A O   1 ? 
ATOM   882  C CB  . PHE A 1 114 ? 11.349  -21.735 -6.548  1.000 15.928  0 114 PHE A CB  1 ? 
ATOM   883  C CG  . PHE A 1 114 ? 12.155  -20.495 -6.266  1.000 16.824  0 114 PHE A CG  1 ? 
ATOM   884  C CD1 . PHE A 1 114 ? 13.112  -20.004 -7.163  1.000 19.223  0 114 PHE A CD1 1 ? 
ATOM   885  C CD2 . PHE A 1 114 ? 11.971  -19.804 -5.080  1.000 18.064  0 114 PHE A CD2 1 ? 
ATOM   886  C CE1 . PHE A 1 114 ? 13.813  -18.835 -6.874  1.000 21.287  0 114 PHE A CE1 1 ? 
ATOM   887  C CE2 . PHE A 1 114 ? 12.658  -18.639 -4.806  1.000 18.508  0 114 PHE A CE2 1 ? 
ATOM   888  C CZ  . PHE A 1 114 ? 13.560  -18.127 -5.718  1.000 20.382  0 114 PHE A CZ  1 ? 
ATOM   889  N N   . SER A 1 115 ? 13.974  -23.228 -8.494  1.000 17.081  0 115 SER A N   1 ? 
ATOM   890  C CA  . SER A 1 115 ? 15.210  -24.014 -8.458  1.000 19.079  0 115 SER A CA  1 ? 
ATOM   891  C C   . SER A 1 115 ? 16.398  -23.144 -8.847  1.000 18.623  0 115 SER A C   1 ? 
ATOM   892  O O   . SER A 1 115 ? 16.303  -22.199 -9.632  1.000 20.374  0 115 SER A O   1 ? 
ATOM   893  C CB  . SER A 1 115 ? 15.139  -25.224 -9.368  1.000 21.517  0 115 SER A CB  1 ? 
ATOM   894  O OG  . SER A 1 115 ? 14.174  -26.190 -8.948  1.000 23.172  0 115 SER A OG  1 ? 
ATOM   895  N N   . PRO A 1 116 ? 17.579  -23.423 -8.262  1.000 19.912  0 116 PRO A N   1 ? 
ATOM   896  C CA  . PRO A 1 116 ? 18.808  -22.797 -8.728  1.000 19.837  0 116 PRO A CA  1 ? 
ATOM   897  C C   . PRO A 1 116 ? 19.160  -23.348 -10.096 1.000 22.848  0 116 PRO A C   1 ? 
ATOM   898  O O   . PRO A 1 116 ? 18.861  -24.508 -10.383 1.000 24.659  0 116 PRO A O   1 ? 
ATOM   899  C CB  . PRO A 1 116 ? 19.813  -23.225 -7.650  1.000 21.308  0 116 PRO A CB  1 ? 
ATOM   900  C CG  . PRO A 1 116 ? 19.320  -24.517 -7.162  1.000 23.431  0 116 PRO A CG  1 ? 
ATOM   901  C CD  . PRO A 1 116 ? 17.777  -24.379 -7.168  1.000 22.525  0 116 PRO A CD  1 ? 
ATOM   902  N N   . THR A 1 117 ? 19.825  -22.509 -10.892 1.000 23.951  0 117 THR A N   1 ? 
ATOM   903  C CA  . THR A 1 117 ? 20.415  -22.928 -12.173 1.000 24.925  0 117 THR A CA  1 ? 
ATOM   904  C C   . THR A 1 117 ? 21.924  -22.994 -12.061 1.000 28.684  0 117 THR A C   1 ? 
ATOM   905  O O   . THR A 1 117 ? 22.550  -23.406 -13.032 1.000 31.486  0 117 THR A O   1 ? 
ATOM   906  C CB  . THR A 1 117 ? 20.029  -21.969 -13.282 1.000 24.105  0 117 THR A CB  1 ? 
ATOM   907  O OG1 . THR A 1 117 ? 20.501  -20.671 -12.969 1.000 25.914  0 117 THR A OG1 1 ? 
ATOM   908  C CG2 . THR A 1 117 ? 18.533  -21.951 -13.501 1.000 25.856  0 117 THR A CG2 1 ? 
ATOM   909  N N   . THR A 1 118 ? 22.454  -22.650 -10.880 1.000 26.933  0 118 THR A N   1 ? 
ATOM   910  C CA  . THR A 1 118 ? 23.874  -22.792 -10.539 1.000 29.541  0 118 THR A CA  1 ? 
ATOM   911  C C   . THR A 1 118 ? 24.010  -23.868 -9.457  1.000 31.946  0 118 THR A C   1 ? 
ATOM   912  O O   . THR A 1 118 ? 23.015  -24.397 -8.961  1.000 33.792  0 118 THR A O   1 ? 
ATOM   913  C CB  . THR A 1 118 ? 24.429  -21.431 -10.114 1.000 29.944  0 118 THR A CB  1 ? 
ATOM   914  O OG1 . THR A 1 118 ? 23.627  -20.928 -9.042  1.000 28.799  0 118 THR A OG1 1 ? 
ATOM   915  C CG2 . THR A 1 118 ? 24.480  -20.422 -11.250 1.000 36.375  0 118 THR A CG2 1 ? 
ATOM   916  N N   . ARG A 1 119 ? 25.243  -24.193 -9.046  1.000 33.479  0 119 ARG A N   1 ? 
ATOM   917  C CA  . ARG A 1 119 ? 25.456  -25.371 -8.214  1.000 36.864  0 119 ARG A CA  1 ? 
ATOM   918  C C   . ARG A 1 119 ? 25.301  -25.063 -6.726  1.000 34.837  0 119 ARG A C   1 ? 
ATOM   919  O O   . ARG A 1 119 ? 25.488  -23.922 -6.296  1.000 38.571  0 119 ARG A O   1 ? 
ATOM   920  C CB  . ARG A 1 119 ? 26.867  -25.959 -8.405  1.000 45.628  0 119 ARG A CB  1 ? 
ATOM   921  C CG  . ARG A 1 119 ? 26.988  -26.962 -9.544  0.300 51.448  0 119 ARG A CG  1 ? 
ATOM   922  C CD  . ARG A 1 119 ? 27.879  -26.469 -10.673 0.600 58.786  0 119 ARG A CD  1 ? 
ATOM   923  N NE  . ARG A 1 119 ? 29.249  -26.285 -10.182 0.580 61.172  0 119 ARG A NE  1 ? 
ATOM   924  C CZ  . ARG A 1 119 ? 29.987  -25.193 -10.313 0.260 58.262  0 119 ARG A CZ  1 ? 
ATOM   925  N NH1 . ARG A 1 119 ? 29.587  -24.199 -11.092 0.700 55.989  0 119 ARG A NH1 1 ? 
ATOM   926  N NH2 . ARG A 1 119 ? 31.143  -25.129 -9.675  0.370 56.220  0 119 ARG A NH2 1 ? 
ATOM   927  N N   . GLY A 1 120 ? 24.962  -26.085 -5.926  1.000 33.471  0 120 GLY A N   1 ? 
ATOM   928  C CA  . GLY A 1 120 ? 25.252  -26.025 -4.500  1.000 36.194  0 120 GLY A CA  1 ? 
ATOM   929  C C   . GLY A 1 120 ? 24.039  -25.943 -3.569  1.000 35.832  0 120 GLY A C   1 ? 
ATOM   930  O O   . GLY A 1 120 ? 24.212  -25.705 -2.373  1.000 37.375  0 120 GLY A O   1 ? 
ATOM   931  N N   . CYS A 1 121 ? 22.823  -26.089 -4.113  1.000 29.247  0 121 CYS A N   1 ? 
ATOM   932  C CA  . CYS A 1 121 ? 21.647  -26.269 -3.281  1.000 28.113  0 121 CYS A CA  1 ? 
ATOM   933  C C   . CYS A 1 121 ? 20.551  -26.926 -4.137  1.000 32.651  0 121 CYS A C   1 ? 
ATOM   934  O O   . CYS A 1 121 ? 20.723  -27.144 -5.335  1.000 34.275  0 121 CYS A O   1 ? 
ATOM   935  C CB  . CYS A 1 121 ? 21.200  -24.938 -2.692  1.000 27.701  0 121 CYS A CB  1 ? 
ATOM   936  S SG  . CYS A 1 121 ? 21.021  -23.702 -3.998  1.000 28.105  0 121 CYS A SG  1 ? 
ATOM   937  N N   . ARG A 1 122 ? 19.426  -27.198 -3.504  1.000 29.846  0 122 ARG A N   1 ? 
ATOM   938  C CA  A ARG A 1 122 ? 18.303  -27.910 -4.088  0.450 30.921  0 122 ARG A CA  1 ? 
ATOM   939  C CA  B ARG A 1 122 ? 18.319  -27.903 -4.130  0.550 31.513  0 122 ARG A CA  1 ? 
ATOM   940  C C   . ARG A 1 122 ? 17.199  -26.899 -4.385  1.000 25.968  0 122 ARG A C   1 ? 
ATOM   941  O O   . ARG A 1 122 ? 17.233  -25.797 -3.863  1.000 28.287  0 122 ARG A O   1 ? 
ATOM   942  C CB  A ARG A 1 122 ? 17.793  -28.928 -3.060  0.450 34.284  0 122 ARG A CB  1 ? 
ATOM   943  C CB  B ARG A 1 122 ? 17.775  -29.028 -3.241  0.550 36.105  0 122 ARG A CB  1 ? 
ATOM   944  C CG  A ARG A 1 122 ? 17.114  -28.347 -1.824  0.450 38.020  0 122 ARG A CG  1 ? 
ATOM   945  C CG  B ARG A 1 122 ? 16.955  -28.593 -2.030  0.550 40.073  0 122 ARG A CG  1 ? 
ATOM   946  C CD  A ARG A 1 122 ? 17.061  -29.346 -0.666  0.450 42.166  0 122 ARG A CD  1 ? 
ATOM   947  C CD  B ARG A 1 122 ? 16.056  -29.711 -1.506  0.550 44.332  0 122 ARG A CD  1 ? 
ATOM   948  N NE  A ARG A 1 122 ? 16.431  -28.805 0.547   0.450 49.671  0 122 ARG A NE  1 ? 
ATOM   949  N NE  B ARG A 1 122 ? 15.236  -29.246 -0.378  0.550 49.435  0 122 ARG A NE  1 ? 
ATOM   950  C CZ  A ARG A 1 122 ? 17.102  -28.408 1.631   0.450 51.070  0 122 ARG A CZ  1 ? 
ATOM   951  C CZ  B ARG A 1 122 ? 13.901  -29.262 -0.281  0.550 47.859  0 122 ARG A CZ  1 ? 
ATOM   952  N NH1 A ARG A 1 122 ? 18.422  -28.445 1.632   0.450 50.395  0 122 ARG A NH1 1 ? 
ATOM   953  N NH1 B ARG A 1 122 ? 13.153  -29.783 -1.242  0.550 43.870  0 122 ARG A NH1 1 ? 
ATOM   954  N NH2 A ARG A 1 122 ? 16.458  -27.951 2.693   0.450 50.624  0 122 ARG A NH2 1 ? 
ATOM   955  N NH2 B ARG A 1 122 ? 13.321  -28.765 0.802   0.550 48.464  0 122 ARG A NH2 1 ? 
ATOM   956  N N   . GLY A 1 123 ? 16.267  -27.262 -5.246  1.000 24.672  0 123 GLY A N   1 ? 
ATOM   957  C CA  . GLY A 1 123 ? 15.090  -26.434 -5.454  1.000 20.830  0 123 GLY A CA  1 ? 
ATOM   958  C C   . GLY A 1 123 ? 13.928  -26.894 -4.576  1.000 25.036  0 123 GLY A C   1 ? 
ATOM   959  O O   . GLY A 1 123 ? 14.010  -27.881 -3.853  1.000 24.742  0 123 GLY A O   1 ? 
ATOM   960  N N   . VAL A 1 124 ? 12.815  -26.190 -4.706  1.000 21.461  0 124 VAL A N   1 ? 
ATOM   961  C CA  . VAL A 1 124 ? 11.607  -26.521 -3.966  1.000 22.361  0 124 VAL A CA  1 ? 
ATOM   962  C C   . VAL A 1 124 ? 10.449  -26.389 -4.939  1.000 20.304  0 124 VAL A C   1 ? 
ATOM   963  O O   . VAL A 1 124 ? 10.508  -25.642 -5.916  1.000 19.458  0 124 VAL A O   1 ? 
ATOM   964  C CB  . VAL A 1 124 ? 11.428  -25.624 -2.733  1.000 27.084  0 124 VAL A CB  1 ? 
ATOM   965  C CG1 . VAL A 1 124 ? 12.354  -26.063 -1.598  1.000 32.724  0 124 VAL A CG1 1 ? 
ATOM   966  C CG2 . VAL A 1 124 ? 11.591  -24.165 -3.057  1.000 28.123  0 124 VAL A CG2 1 ? 
ATOM   967  N N   . ARG A 1 125 ? 9.368   -27.089 -4.640  1.000 19.142  0 125 ARG A N   1 ? 
ATOM   968  C CA  . ARG A 1 125 ? 8.260   -27.109 -5.553  1.000 19.393  0 125 ARG A CA  1 ? 
ATOM   969  C C   . ARG A 1 125 ? 6.964   -27.237 -4.756  1.000 21.896  0 125 ARG A C   1 ? 
ATOM   970  O O   . ARG A 1 125 ? 6.932   -27.885 -3.707  1.000 22.396  0 125 ARG A O   1 ? 
ATOM   971  C CB  . ARG A 1 125 ? 8.506   -28.315 -6.440  1.000 23.557  0 125 ARG A CB  1 ? 
ATOM   972  C CG  . ARG A 1 125 ? 7.383   -28.660 -7.397  1.000 29.022  0 125 ARG A CG  1 ? 
ATOM   973  C CD  . ARG A 1 125 ? 7.764   -29.921 -8.233  1.000 33.855  0 125 ARG A CD  1 ? 
ATOM   974  N NE  . ARG A 1 125 ? 8.935   -29.685 -9.090  1.000 35.396  0 125 ARG A NE  1 ? 
ATOM   975  C CZ  . ARG A 1 125 ? 9.145   -30.274 -10.272 1.000 43.412  0 125 ARG A CZ  1 ? 
ATOM   976  N NH1 . ARG A 1 125 ? 8.353   -31.263 -10.656 1.000 47.562  0 125 ARG A NH1 1 ? 
ATOM   977  N NH2 . ARG A 1 125 ? 10.156  -29.899 -11.042 1.000 40.323  0 125 ARG A NH2 1 ? 
ATOM   978  N N   . CYS A 1 126 ? 5.912   -26.623 -5.273  1.000 18.662  0 126 CYS A N   1 ? 
ATOM   979  C CA  . CYS A 1 126 ? 4.554   -26.931 -4.852  1.000 18.086  0 126 CYS A CA  1 ? 
ATOM   980  C C   . CYS A 1 126 ? 3.750   -27.074 -6.128  1.000 18.549  0 126 CYS A C   1 ? 
ATOM   981  O O   . CYS A 1 126 ? 3.370   -26.069 -6.743  1.000 18.730  0 126 CYS A O   1 ? 
ATOM   982  C CB  . CYS A 1 126 ? 4.025   -25.857 -3.919  1.000 18.419  0 126 CYS A CB  1 ? 
ATOM   983  S SG  . CYS A 1 126 ? 2.281   -26.085 -3.499  1.000 19.237  0 126 CYS A SG  1 ? 
ATOM   984  N N   . ALA A 1 127 ? 3.446   -28.322 -6.480  1.000 19.776  0 127 ALA A N   1 ? 
ATOM   985  C CA  . ALA A 1 127 ? 2.802   -28.561 -7.772  1.000 23.010  0 127 ALA A CA  1 ? 
ATOM   986  C C   . ALA A 1 127 ? 1.534   -29.407 -7.675  1.000 26.575  0 127 ALA A C   1 ? 
ATOM   987  O O   . ALA A 1 127 ? 0.973   -29.842 -8.680  1.000 28.660  0 127 ALA A O   1 ? 
ATOM   988  C CB  . ALA A 1 127 ? 3.770   -29.195 -8.737  1.000 24.094  0 127 ALA A CB  1 ? 
ATOM   989  N N   . ALA A 1 128 ? 1.014   -29.590 -6.481  1.000 23.137  0 128 ALA A N   1 ? 
ATOM   990  C CA  . ALA A 1 128 ? -0.230  -30.317 -6.298  1.000 22.683  0 128 ALA A CA  1 ? 
ATOM   991  C C   . ALA A 1 128 ? -1.419  -29.482 -6.746  1.000 22.263  0 128 ALA A C   1 ? 
ATOM   992  O O   . ALA A 1 128 ? -1.345  -28.258 -6.870  1.000 22.397  0 128 ALA A O   1 ? 
ATOM   993  C CB  . ALA A 1 128 ? -0.318  -30.659 -4.823  1.000 24.919  0 128 ALA A CB  1 ? 
ATOM   994  N N   . ASP A 1 129 ? -2.565  -30.166 -6.933  1.000 23.468  0 129 ASP A N   1 ? 
ATOM   995  C CA  . ASP A 1 129 ? -3.785  -29.519 -7.340  1.000 25.460  0 129 ASP A CA  1 ? 
ATOM   996  C C   . ASP A 1 129 ? -4.504  -28.921 -6.135  1.000 22.829  0 129 ASP A C   1 ? 
ATOM   997  O O   . ASP A 1 129 ? -5.582  -29.354 -5.740  1.000 20.783  0 129 ASP A O   1 ? 
ATOM   998  C CB  . ASP A 1 129 ? -4.743  -30.492 -8.001  1.000 28.597  0 129 ASP A CB  1 ? 
ATOM   999  C CG  . ASP A 1 129 ? -5.921  -29.821 -8.666  1.000 28.300  0 129 ASP A CG  1 ? 
ATOM   1000 O OD1 . ASP A 1 129 ? -5.943  -28.570 -8.809  1.000 27.347  0 129 ASP A OD1 1 ? 
ATOM   1001 O OD2 . ASP A 1 129 ? -6.811  -30.576 -9.058  1.000 35.885  0 129 ASP A OD2 1 ? 
ATOM   1002 N N   . ILE A 1 130 ? -3.873  -27.904 -5.551  1.000 19.123  0 130 ILE A N   1 ? 
ATOM   1003 C CA  . ILE A 1 130 ? -4.476  -27.225 -4.422  1.000 18.138  0 130 ILE A CA  1 ? 
ATOM   1004 C C   . ILE A 1 130 ? -5.795  -26.573 -4.808  1.000 19.223  0 130 ILE A C   1 ? 
ATOM   1005 O O   . ILE A 1 130 ? -6.709  -26.528 -3.989  1.000 21.092  0 130 ILE A O   1 ? 
ATOM   1006 C CB  . ILE A 1 130 ? -3.457  -26.263 -3.812  1.000 18.440  0 130 ILE A CB  1 ? 
ATOM   1007 C CG1 . ILE A 1 130 ? -2.351  -27.070 -3.144  1.000 21.111  0 130 ILE A CG1 1 ? 
ATOM   1008 C CG2 . ILE A 1 130 ? -4.133  -25.227 -2.887  1.000 20.366  0 130 ILE A CG2 1 ? 
ATOM   1009 C CD1 . ILE A 1 130 ? -1.310  -26.280 -2.395  1.000 24.207  0 130 ILE A CD1 1 ? 
ATOM   1010 N N   . VAL A 1 131 ? -5.946  -25.966 -6.000  1.000 17.448  0 131 VAL A N   1 ? 
ATOM   1011 C CA  . VAL A 1 131 ? -7.195  -25.316 -6.315  1.000 18.817  0 131 VAL A CA  1 ? 
ATOM   1012 C C   . VAL A 1 131 ? -8.327  -26.342 -6.397  1.000 20.862  0 131 VAL A C   1 ? 
ATOM   1013 O O   . VAL A 1 131 ? -9.425  -26.066 -5.901  1.000 21.688  0 131 VAL A O   1 ? 
ATOM   1014 C CB  . VAL A 1 131 ? -7.072  -24.527 -7.633  1.000 21.862  0 131 VAL A CB  1 ? 
ATOM   1015 C CG1 . VAL A 1 131 ? -8.407  -23.908 -7.989  1.000 25.309  0 131 VAL A CG1 1 ? 
ATOM   1016 C CG2 . VAL A 1 131 ? -6.009  -23.442 -7.509  1.000 22.801  0 131 VAL A CG2 1 ? 
ATOM   1017 N N   . GLY A 1 132 ? -8.058  -27.464 -7.064  1.000 20.392  0 132 GLY A N   1 ? 
ATOM   1018 C CA  . GLY A 1 132 ? -9.089  -28.476 -7.214  1.000 21.950  0 132 GLY A CA  1 ? 
ATOM   1019 C C   . GLY A 1 132 ? -9.517  -29.053 -5.859  1.000 22.933  0 132 GLY A C   1 ? 
ATOM   1020 O O   . GLY A 1 132 ? -10.703 -29.382 -5.678  1.000 23.910  0 132 GLY A O   1 ? 
ATOM   1021 N N   . GLN A 1 133 ? -8.588  -29.153 -4.902  1.000 18.321  0 133 GLN A N   1 ? 
ATOM   1022 C CA  . GLN A 1 133 ? -8.898  -29.794 -3.627  1.000 20.773  0 133 GLN A CA  1 ? 
ATOM   1023 C C   . GLN A 1 133 ? -9.262  -28.789 -2.520  1.000 18.521  0 133 GLN A C   1 ? 
ATOM   1024 O O   . GLN A 1 133 ? -9.608  -29.200 -1.418  1.000 20.550  0 133 GLN A O   1 ? 
ATOM   1025 C CB  . GLN A 1 133 ? -7.685  -30.594 -3.171  1.000 20.796  0 133 GLN A CB  1 ? 
ATOM   1026 C CG  . GLN A 1 133 ? -7.257  -31.755 -4.060  1.000 23.685  0 133 GLN A CG  1 ? 
ATOM   1027 C CD  . GLN A 1 133 ? -8.304  -32.838 -4.237  1.000 30.683  0 133 GLN A CD  1 ? 
ATOM   1028 O OE1 . GLN A 1 133 ? -9.429  -32.780 -3.729  1.000 28.258  0 133 GLN A OE1 1 ? 
ATOM   1029 N NE2 . GLN A 1 133 ? -7.960  -33.837 -5.033  1.000 39.957  0 133 GLN A NE2 1 ? 
ATOM   1030 N N   . CYS A 1 134 ? -9.232  -27.495 -2.822  1.000 17.809  0 134 CYS A N   1 ? 
ATOM   1031 C CA  . CYS A 1 134 ? -9.383  -26.397 -1.874  1.000 17.793  0 134 CYS A CA  1 ? 
ATOM   1032 C C   . CYS A 1 134 ? -10.659 -26.566 -1.053  1.000 20.289  0 134 CYS A C   1 ? 
ATOM   1033 O O   . CYS A 1 134 ? -11.741 -26.754 -1.614  1.000 20.630  0 134 CYS A O   1 ? 
ATOM   1034 C CB  . CYS A 1 134 ? -9.396  -25.092 -2.658  1.000 17.743  0 134 CYS A CB  1 ? 
ATOM   1035 S SG  . CYS A 1 134 ? -9.366  -23.607 -1.630  1.000 17.429  0 134 CYS A SG  1 ? 
ATOM   1036 N N   . PRO A 1 135 ? -10.558 -26.435 0.283   1.000 19.140  0 135 PRO A N   1 ? 
ATOM   1037 C CA  . PRO A 1 135 ? -11.765 -26.413 1.119   1.000 23.559  0 135 PRO A CA  1 ? 
ATOM   1038 C C   . PRO A 1 135 ? -12.755 -25.365 0.660   1.000 22.929  0 135 PRO A C   1 ? 
ATOM   1039 O O   . PRO A 1 135 ? -12.419 -24.273 0.261   1.000 20.614  0 135 PRO A O   1 ? 
ATOM   1040 C CB  . PRO A 1 135 ? -11.203 -26.104 2.514   1.000 24.129  0 135 PRO A CB  1 ? 
ATOM   1041 C CG  . PRO A 1 135 ? -9.798  -26.546 2.494   1.000 23.382  0 135 PRO A CG  1 ? 
ATOM   1042 C CD  . PRO A 1 135 ? -9.324  -26.393 1.063   1.000 22.195  0 135 PRO A CD  1 ? 
ATOM   1043 N N   . ALA A 1 136 ? -14.065 -25.670 0.715   1.000 23.482  0 136 ALA A N   1 ? 
ATOM   1044 C CA  . ALA A 1 136 ? -15.064 -24.763 0.198   1.000 23.917  0 136 ALA A CA  1 ? 
ATOM   1045 C C   . ALA A 1 136 ? -14.914 -23.328 0.724   1.000 20.768  0 136 ALA A C   1 ? 
ATOM   1046 O O   . ALA A 1 136 ? -15.066 -22.359 -0.014  1.000 24.845  0 136 ALA A O   1 ? 
ATOM   1047 C CB  . ALA A 1 136 ? -16.424 -25.347 0.586   1.000 31.285  0 136 ALA A CB  1 ? 
ATOM   1048 N N   . LYS A 1 137 ? -14.643 -23.163 2.011   1.000 20.403  0 137 LYS A N   1 ? 
ATOM   1049 C CA  . LYS A 1 137 ? -14.593 -21.833 2.606   1.000 19.720  0 137 LYS A CA  1 ? 
ATOM   1050 C C   . LYS A 1 137 ? -13.363 -21.023 2.171   1.000 19.897  0 137 LYS A C   1 ? 
ATOM   1051 O O   . LYS A 1 137 ? -13.378 -19.802 2.309   1.000 22.757  0 137 LYS A O   1 ? 
ATOM   1052 C CB  . LYS A 1 137 ? -14.624 -21.935 4.136   1.000 26.471  0 137 LYS A CB  1 ? 
ATOM   1053 C CG  . LYS A 1 137 ? -16.045 -22.238 4.649   1.000 31.140  0 137 LYS A CG  1 ? 
ATOM   1054 C CD  . LYS A 1 137 ? -16.135 -22.173 6.167   1.000 40.829  0 137 LYS A CD  1 ? 
ATOM   1055 C CE  . LYS A 1 137 ? -17.523 -22.509 6.648   1.000 47.485  0 137 LYS A CE  1 ? 
ATOM   1056 N NZ  . LYS A 1 137 ? -17.471 -22.897 8.062   1.000 53.424  0 137 LYS A NZ  1 ? 
ATOM   1057 N N   . LEU A 1 138 ? -12.360 -21.694 1.616   1.000 18.097  0 138 LEU A N   1 ? 
ATOM   1058 C CA  . LEU A 1 138 ? -11.165 -20.968 1.153   1.000 17.597  0 138 LEU A CA  1 ? 
ATOM   1059 C C   . LEU A 1 138 ? -11.163 -20.716 -0.359  1.000 18.202  0 138 LEU A C   1 ? 
ATOM   1060 O O   . LEU A 1 138 ? -10.267 -20.027 -0.856  1.000 19.342  0 138 LEU A O   1 ? 
ATOM   1061 C CB  . LEU A 1 138 ? -9.908  -21.741 1.519   1.000 17.536  0 138 LEU A CB  1 ? 
ATOM   1062 C CG  . LEU A 1 138 ? -9.697  -22.013 2.998   1.000 18.635  0 138 LEU A CG  1 ? 
ATOM   1063 C CD1 . LEU A 1 138 ? -8.383  -22.755 3.120   1.000 19.727  0 138 LEU A CD1 1 ? 
ATOM   1064 C CD2 . LEU A 1 138 ? -9.694  -20.716 3.780   1.000 21.212  0 138 LEU A CD2 1 ? 
ATOM   1065 N N   . LYS A 1 139 ? -12.099 -21.302 -1.100  1.000 17.144  0 139 LYS A N   1 ? 
ATOM   1066 C CA  . LYS A 1 139 ? -12.122 -21.126 -2.535  1.000 20.353  0 139 LYS A CA  1 ? 
ATOM   1067 C C   . LYS A 1 139 ? -12.383 -19.671 -2.901  1.000 21.314  0 139 LYS A C   1 ? 
ATOM   1068 O O   . LYS A 1 139 ? -13.268 -19.017 -2.366  1.000 24.743  0 139 LYS A O   1 ? 
ATOM   1069 C CB  . LYS A 1 139 ? -13.207 -22.009 -3.160  1.000 25.518  0 139 LYS A CB  1 ? 
ATOM   1070 C CG  . LYS A 1 139 ? -12.923 -23.478 -3.052  1.000 33.126  0 139 LYS A CG  1 ? 
ATOM   1071 C CD  . LYS A 1 139 ? -14.019 -24.402 -3.588  1.000 47.835  0 139 LYS A CD  1 ? 
ATOM   1072 C CE  . LYS A 1 139 ? -13.905 -24.645 -5.068  1.000 60.446  0 139 LYS A CE  1 ? 
ATOM   1073 N NZ  . LYS A 1 139 ? -12.657 -25.324 -5.463  1.000 69.551  0 139 LYS A NZ  1 ? 
ATOM   1074 N N   . ALA A 1 140 ? -11.534 -19.122 -3.763  1.000 21.109  0 140 ALA A N   1 ? 
ATOM   1075 C CA  . ALA A 1 140 ? -11.705 -17.773 -4.251  1.000 23.350  0 140 ALA A CA  1 ? 
ATOM   1076 C C   . ALA A 1 140 ? -12.510 -17.812 -5.543  1.000 25.979  0 140 ALA A C   1 ? 
ATOM   1077 O O   . ALA A 1 140 ? -12.139 -18.542 -6.442  1.000 25.544  0 140 ALA A O   1 ? 
ATOM   1078 C CB  . ALA A 1 140 ? -10.349 -17.159 -4.493  1.000 25.298  0 140 ALA A CB  1 ? 
ATOM   1079 N N   . PRO A 1 141 ? -13.570 -16.993 -5.678  1.000 29.768  0 141 PRO A N   1 ? 
ATOM   1080 C CA  . PRO A 1 141 ? -14.391 -16.978 -6.891  1.000 32.812  0 141 PRO A CA  1 ? 
ATOM   1081 C C   . PRO A 1 141 ? -13.607 -16.728 -8.170  1.000 34.858  0 141 PRO A C   1 ? 
ATOM   1082 O O   . PRO A 1 141 ? -13.892 -17.375 -9.177  1.000 37.943  0 141 PRO A O   1 ? 
ATOM   1083 C CB  . PRO A 1 141 ? -15.334 -15.816 -6.564  1.000 33.355  0 141 PRO A CB  1 ? 
ATOM   1084 C CG  . PRO A 1 141 ? -15.549 -15.923 -5.090  1.000 35.401  0 141 PRO A CG  1 ? 
ATOM   1085 C CD  . PRO A 1 141 ? -14.096 -16.101 -4.645  1.000 33.307  0 141 PRO A CD  1 ? 
ATOM   1086 N N   . GLY A 1 142 ? -12.578 -15.866 -8.069  1.000 34.874  0 142 GLY A N   1 ? 
ATOM   1087 C CA  . GLY A 1 142 ? -11.763 -15.453 -9.203  1.000 37.843  0 142 GLY A CA  1 ? 
ATOM   1088 C C   . GLY A 1 142 ? -10.777 -16.515 -9.642  1.000 34.391  0 142 GLY A C   1 ? 
ATOM   1089 O O   . GLY A 1 142 ? -10.184 -16.466 -10.715 1.000 36.886  0 142 GLY A O   1 ? 
ATOM   1090 N N   . GLY A 1 143 ? -10.651 -17.534 -8.811  1.000 32.202  0 143 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 143 ? -9.697  -18.585 -9.053  1.000 30.966  0 143 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 143 ? -8.789  -18.604 -7.825  1.000 25.397  0 143 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 143 ? -8.630  -17.585 -7.143  1.000 27.816  0 143 GLY A O   1 ? 
ATOM   1094 N N   . GLY A 1 144 ? -8.259  -19.781 -7.544  1.000 22.615  0 144 GLY A N   1 ? 
ATOM   1095 C CA  . GLY A 1 144 ? -7.277  -19.924 -6.494  1.000 19.052  0 144 GLY A CA  1 ? 
ATOM   1096 C C   . GLY A 1 144 ? -7.879  -20.420 -5.199  1.000 17.900  0 144 GLY A C   1 ? 
ATOM   1097 O O   . GLY A 1 144 ? -9.097  -20.577 -5.061  1.000 18.805  0 144 GLY A O   1 ? 
ATOM   1098 N N   . CYS A 1 145 ? -6.993  -20.565 -4.235  1.000 15.986  0 145 CYS A N   1 ? 
ATOM   1099 C CA  . CYS A 1 145 ? -7.341  -21.107 -2.920  1.000 15.659  0 145 CYS A CA  1 ? 
ATOM   1100 C C   . CYS A 1 145 ? -6.725  -20.174 -1.898  1.000 16.076  0 145 CYS A C   1 ? 
ATOM   1101 O O   . CYS A 1 145 ? -5.508  -20.059 -1.805  1.000 15.285  0 145 CYS A O   1 ? 
ATOM   1102 C CB  . CYS A 1 145 ? -6.809  -22.512 -2.741  1.000 16.705  0 145 CYS A CB  1 ? 
ATOM   1103 S SG  . CYS A 1 145 ? -7.400  -23.337 -1.258  1.000 17.019  0 145 CYS A SG  1 ? 
ATOM   1104 N N   . ASN A 1 146 ? -7.581  -19.412 -1.208  1.000 15.070  0 146 ASN A N   1 ? 
ATOM   1105 C CA  . ASN A 1 146 ? -7.085  -18.429 -0.276  1.000 15.903  0 146 ASN A CA  1 ? 
ATOM   1106 C C   . ASN A 1 146 ? -6.544  -19.076 0.988   1.000 15.691  0 146 ASN A C   1 ? 
ATOM   1107 O O   . ASN A 1 146 ? -6.969  -20.167 1.377   1.000 16.564  0 146 ASN A O   1 ? 
ATOM   1108 C CB  . ASN A 1 146 ? -8.200  -17.519 0.215   1.000 17.711  0 146 ASN A CB  1 ? 
ATOM   1109 C CG  . ASN A 1 146 ? -8.674  -16.496 -0.780  1.000 22.348  0 146 ASN A CG  1 ? 
ATOM   1110 O OD1 . ASN A 1 146 ? -7.851  -15.764 -1.314  1.000 23.732  0 146 ASN A OD1 1 ? 
ATOM   1111 N ND2 . ASN A 1 146 ? -9.995  -16.404 -0.956  1.000 27.400  0 146 ASN A ND2 1 ? 
ATOM   1112 N N   . ASP A 1 147 ? -5.606  -18.399 1.640   1.000 15.431  0 147 ASP A N   1 ? 
ATOM   1113 C CA  . ASP A 1 147 ? -5.206  -18.772 2.985   1.000 14.515  0 147 ASP A CA  1 ? 
ATOM   1114 C C   . ASP A 1 147 ? -6.283  -18.306 3.974   1.000 13.729  0 147 ASP A C   1 ? 
ATOM   1115 O O   . ASP A 1 147 ? -7.096  -17.397 3.715   1.000 14.340  0 147 ASP A O   1 ? 
ATOM   1116 C CB  . ASP A 1 147 ? -3.908  -18.101 3.346   1.000 14.798  0 147 ASP A CB  1 ? 
ATOM   1117 C CG  . ASP A 1 147 ? -4.020  -16.610 3.412   1.000 16.638  0 147 ASP A CG  1 ? 
ATOM   1118 O OD1 . ASP A 1 147 ? -4.108  -15.982 2.319   1.000 16.326  0 147 ASP A OD1 1 ? 
ATOM   1119 O OD2 . ASP A 1 147 ? -4.130  -16.082 4.563   1.000 16.773  0 147 ASP A OD2 1 ? 
ATOM   1120 N N   . ALA A 1 148 ? -6.244  -18.902 5.159   1.000 13.974  0 148 ALA A N   1 ? 
ATOM   1121 C CA  . ALA A 1 148 ? -7.283  -18.633 6.123   1.000 14.555  0 148 ALA A CA  1 ? 
ATOM   1122 C C   . ALA A 1 148 ? -7.171  -17.246 6.746   1.000 15.117  0 148 ALA A C   1 ? 
ATOM   1123 O O   . ALA A 1 148 ? -8.172  -16.745 7.260   1.000 15.195  0 148 ALA A O   1 ? 
ATOM   1124 C CB  . ALA A 1 148 ? -7.211  -19.686 7.225   1.000 15.724  0 148 ALA A CB  1 ? 
ATOM   1125 N N   . CYS A 1 149 ? -5.964  -16.673 6.862   1.000 14.616  0 149 CYS A N   1 ? 
ATOM   1126 C CA  . CYS A 1 149 ? -5.800  -15.320 7.369   1.000 13.945  0 149 CYS A CA  1 ? 
ATOM   1127 C C   . CYS A 1 149 ? -6.571  -14.345 6.477   1.000 16.441  0 149 CYS A C   1 ? 
ATOM   1128 O O   . CYS A 1 149 ? -7.346  -13.518 6.948   1.000 17.086  0 149 CYS A O   1 ? 
ATOM   1129 C CB  . CYS A 1 149 ? -4.337  -14.972 7.512   1.000 16.720  0 149 CYS A CB  1 ? 
ATOM   1130 S SG  . CYS A 1 149 ? -4.055  -13.230 7.881   1.000 17.476  0 149 CYS A SG  1 ? 
ATOM   1131 N N   . THR A 1 150 ? -6.335  -14.440 5.171   1.000 14.421  0 150 THR A N   1 ? 
ATOM   1132 C CA  . THR A 1 150 ? -7.029  -13.600 4.204   1.000 15.791  0 150 THR A CA  1 ? 
ATOM   1133 C C   . THR A 1 150 ? -8.533  -13.715 4.379   1.000 15.821  0 150 THR A C   1 ? 
ATOM   1134 O O   . THR A 1 150 ? -9.227  -12.697 4.369   1.000 18.748  0 150 THR A O   1 ? 
ATOM   1135 C CB  . THR A 1 150 ? -6.600  -14.000 2.793   1.000 16.686  0 150 THR A CB  1 ? 
ATOM   1136 O OG1 . THR A 1 150 ? -5.207  -13.683 2.672   1.000 17.685  0 150 THR A OG1 1 ? 
ATOM   1137 C CG2 . THR A 1 150 ? -7.451  -13.308 1.754   1.000 20.545  0 150 THR A CG2 1 ? 
ATOM   1138 N N   . VAL A 1 151 ? -9.045  -14.940 4.549   1.000 15.596  0 151 VAL A N   1 ? 
ATOM   1139 C CA  . VAL A 1 151 ? -10.487 -15.109 4.588   1.000 15.808  0 151 VAL A CA  1 ? 
ATOM   1140 C C   . VAL A 1 151 ? -11.083 -14.650 5.922   1.000 16.656  0 151 VAL A C   1 ? 
ATOM   1141 O O   . VAL A 1 151 ? -12.086 -13.940 5.934   1.000 19.010  0 151 VAL A O   1 ? 
ATOM   1142 C CB  . VAL A 1 151 ? -10.833 -16.571 4.309   1.000 17.333  0 151 VAL A CB  1 ? 
ATOM   1143 C CG1 . VAL A 1 151 ? -12.306 -16.855 4.482   1.000 19.436  0 151 VAL A CG1 1 ? 
ATOM   1144 C CG2 . VAL A 1 151 ? -10.398 -16.935 2.897   1.000 18.508  0 151 VAL A CG2 1 ? 
ATOM   1145 N N   . PHE A 1 152 ? -10.503 -15.086 7.032   1.000 15.390  0 152 PHE A N   1 ? 
ATOM   1146 C CA  . PHE A 1 152 ? -11.174 -14.956 8.331   1.000 17.172  0 152 PHE A CA  1 ? 
ATOM   1147 C C   . PHE A 1 152 ? -10.626 -13.829 9.195   1.000 17.193  0 152 PHE A C   1 ? 
ATOM   1148 O O   . PHE A 1 152 ? -11.304 -13.419 10.140  1.000 17.522  0 152 PHE A O   1 ? 
ATOM   1149 C CB  . PHE A 1 152 ? -11.099 -16.272 9.108   1.000 15.939  0 152 PHE A CB  1 ? 
ATOM   1150 C CG  . PHE A 1 152 ? -11.900 -17.380 8.456   1.000 15.530  0 152 PHE A CG  1 ? 
ATOM   1151 C CD1 . PHE A 1 152 ? -13.286 -17.359 8.502   1.000 17.574  0 152 PHE A CD1 1 ? 
ATOM   1152 C CD2 . PHE A 1 152 ? -11.279 -18.391 7.758   1.000 17.882  0 152 PHE A CD2 1 ? 
ATOM   1153 C CE1 . PHE A 1 152 ? -14.011 -18.364 7.896   1.000 20.554  0 152 PHE A CE1 1 ? 
ATOM   1154 C CE2 . PHE A 1 152 ? -12.014 -19.390 7.157   1.000 19.757  0 152 PHE A CE2 1 ? 
ATOM   1155 C CZ  . PHE A 1 152 ? -13.367 -19.346 7.212   1.000 20.161  0 152 PHE A CZ  1 ? 
ATOM   1156 N N   . GLN A 1 153 ? -9.375  -13.365 8.989   1.000 15.678  0 153 GLN A N   1 ? 
ATOM   1157 C CA  A GLN A 1 153 ? -8.820  -12.222 9.688   0.740 15.759  0 153 GLN A CA  1 ? 
ATOM   1158 C CA  B GLN A 1 153 ? -8.790  -12.227 9.687   0.260 15.498  0 153 GLN A CA  1 ? 
ATOM   1159 C C   . GLN A 1 153 ? -8.869  -12.419 11.203  1.000 15.628  0 153 GLN A C   1 ? 
ATOM   1160 O O   . GLN A 1 153 ? -9.295  -11.502 11.922  1.000 17.492  0 153 GLN A O   1 ? 
ATOM   1161 C CB  A GLN A 1 153 ? -9.609  -10.970 9.295   0.740 18.433  0 153 GLN A CB  1 ? 
ATOM   1162 C CB  B GLN A 1 153 ? -9.420  -10.893 9.273   0.260 15.801  0 153 GLN A CB  1 ? 
ATOM   1163 C CG  A GLN A 1 153 ? -9.609  -10.671 7.803   0.740 22.996  0 153 GLN A CG  1 ? 
ATOM   1164 C CG  B GLN A 1 153 ? -9.154  -10.486 7.827   0.260 16.480  0 153 GLN A CG  1 ? 
ATOM   1165 C CD  A GLN A 1 153 ? -8.416  -9.842  7.441   0.740 29.651  0 153 GLN A CD  1 ? 
ATOM   1166 C CD  B GLN A 1 153 ? -7.801  -9.844  7.607   0.260 18.095  0 153 GLN A CD  1 ? 
ATOM   1167 O OE1 A GLN A 1 153 ? -8.489  -8.610  7.467   0.740 29.234  0 153 GLN A OE1 1 ? 
ATOM   1168 O OE1 B GLN A 1 153 ? -7.573  -8.651  7.881   0.260 15.696  0 153 GLN A OE1 1 ? 
ATOM   1169 N NE2 A GLN A 1 153 ? -7.294  -10.501 7.191   0.740 34.246  0 153 GLN A NE2 1 ? 
ATOM   1170 N NE2 B GLN A 1 153 ? -6.897  -10.617 7.025   0.260 19.668  0 153 GLN A NE2 1 ? 
ATOM   1171 N N   . THR A 1 154 ? -8.410  -13.580 11.673  1.000 15.002  0 154 THR A N   1 ? 
ATOM   1172 C CA  . THR A 1 154 ? -8.265  -13.808 13.115  1.000 14.509  0 154 THR A CA  1 ? 
ATOM   1173 C C   . THR A 1 154 ? -6.798  -13.751 13.519  1.000 15.209  0 154 THR A C   1 ? 
ATOM   1174 O O   . THR A 1 154 ? -5.878  -14.027 12.746  1.000 15.991  0 154 THR A O   1 ? 
ATOM   1175 C CB  . THR A 1 154 ? -8.869  -15.146 13.548  1.000 15.149  0 154 THR A CB  1 ? 
ATOM   1176 O OG1 . THR A 1 154 ? -8.047  -16.189 13.044  1.000 16.544  0 154 THR A OG1 1 ? 
ATOM   1177 C CG2 . THR A 1 154 ? -10.324 -15.302 13.163  1.000 18.076  0 154 THR A CG2 1 ? 
ATOM   1178 N N   . SER A 1 155 ? -6.564  -13.507 14.818  1.000 15.616  0 155 SER A N   1 ? 
ATOM   1179 C CA  A SER A 1 155 ? -5.227  -13.533 15.385  0.710 16.602  0 155 SER A CA  1 ? 
ATOM   1180 C CA  B SER A 1 155 ? -5.239  -13.539 15.414  0.290 16.106  0 155 SER A CA  1 ? 
ATOM   1181 C C   . SER A 1 155 ? -4.573  -14.894 15.180  1.000 15.016  0 155 SER A C   1 ? 
ATOM   1182 O O   . SER A 1 155 ? -3.368  -14.972 14.943  1.000 17.484  0 155 SER A O   1 ? 
ATOM   1183 C CB  A SER A 1 155 ? -5.237  -13.167 16.831  0.710 19.136  0 155 SER A CB  1 ? 
ATOM   1184 C CB  B SER A 1 155 ? -5.310  -13.200 16.889  0.290 17.251  0 155 SER A CB  1 ? 
ATOM   1185 O OG  A SER A 1 155 ? -5.699  -11.842 17.022  0.710 22.017  0 155 SER A OG  1 ? 
ATOM   1186 O OG  B SER A 1 155 ? -6.058  -14.156 17.636  0.290 18.687  0 155 SER A OG  1 ? 
ATOM   1187 N N   . GLU A 1 156 ? -5.366  -15.975 15.259  1.000 15.303  0 156 GLU A N   1 ? 
ATOM   1188 C CA  . GLU A 1 156 ? -4.776  -17.293 15.181  1.000 15.048  0 156 GLU A CA  1 ? 
ATOM   1189 C C   . GLU A 1 156 ? -4.336  -17.560 13.752  1.000 15.563  0 156 GLU A C   1 ? 
ATOM   1190 O O   . GLU A 1 156 ? -3.245  -18.055 13.559  1.000 16.838  0 156 GLU A O   1 ? 
ATOM   1191 C CB  . GLU A 1 156 ? -5.764  -18.357 15.623  1.000 16.355  0 156 GLU A CB  1 ? 
ATOM   1192 C CG  . GLU A 1 156 ? -5.154  -19.744 15.788  1.000 15.877  0 156 GLU A CG  1 ? 
ATOM   1193 C CD  . GLU A 1 156 ? -4.117  -19.798 16.874  1.000 16.724  0 156 GLU A CD  1 ? 
ATOM   1194 O OE1 . GLU A 1 156 ? -3.971  -18.858 17.711  1.000 17.358  0 156 GLU A OE1 1 ? 
ATOM   1195 O OE2 . GLU A 1 156 ? -3.351  -20.778 16.899  1.000 18.774  0 156 GLU A OE2 1 ? 
ATOM   1196 N N   . TYR A 1 157 ? -5.158  -17.256 12.751  1.000 14.454  0 157 TYR A N   1 ? 
ATOM   1197 C CA  . TYR A 1 157 ? -4.700  -17.577 11.404  1.000 15.284  0 157 TYR A CA  1 ? 
ATOM   1198 C C   . TYR A 1 157 ? -3.622  -16.614 10.889  1.000 15.876  0 157 TYR A C   1 ? 
ATOM   1199 O O   . TYR A 1 157 ? -2.780  -17.029 10.057  1.000 16.612  0 157 TYR A O   1 ? 
ATOM   1200 C CB  . TYR A 1 157 ? -5.868  -17.494 10.412  1.000 14.770  0 157 TYR A CB  1 ? 
ATOM   1201 C CG  . TYR A 1 157 ? -6.971  -18.512 10.624  1.000 14.669  0 157 TYR A CG  1 ? 
ATOM   1202 C CD1 . TYR A 1 157 ? -6.671  -19.839 10.896  1.000 16.568  0 157 TYR A CD1 1 ? 
ATOM   1203 C CD2 . TYR A 1 157 ? -8.285  -18.146 10.619  1.000 13.740  0 157 TYR A CD2 1 ? 
ATOM   1204 C CE1 . TYR A 1 157 ? -7.676  -20.757 11.107  1.000 16.034  0 157 TYR A CE1 1 ? 
ATOM   1205 C CE2 . TYR A 1 157 ? -9.304  -19.057 10.793  1.000 15.892  0 157 TYR A CE2 1 ? 
ATOM   1206 C CZ  . TYR A 1 157 ? -8.987  -20.361 11.102  1.000 15.197  0 157 TYR A CZ  1 ? 
ATOM   1207 O OH  . TYR A 1 157 ? -9.967  -21.273 11.337  1.000 16.915  0 157 TYR A OH  1 ? 
ATOM   1208 N N   . CYS A 1 158 ? -3.667  -15.357 11.321  1.000 15.852  0 158 CYS A N   1 ? 
ATOM   1209 C CA  . CYS A 1 158 ? -2.727  -14.330 10.889  1.000 16.743  0 158 CYS A CA  1 ? 
ATOM   1210 C C   . CYS A 1 158 ? -1.478  -14.247 11.753  1.000 18.188  0 158 CYS A C   1 ? 
ATOM   1211 O O   . CYS A 1 158 ? -0.535  -13.565 11.393  1.000 19.931  0 158 CYS A O   1 ? 
ATOM   1212 C CB  . CYS A 1 158 ? -3.421  -12.976 10.800  1.000 17.194  0 158 CYS A CB  1 ? 
ATOM   1213 S SG  . CYS A 1 158 ? -4.869  -12.969 9.716   1.000 17.137  0 158 CYS A SG  1 ? 
ATOM   1214 N N   . CYS A 1 159 ? -1.478  -14.997 12.868  1.000 18.175  0 159 CYS A N   1 ? 
ATOM   1215 C CA  A CYS A 1 159 ? -0.381  -15.082 13.801  0.590 19.366  0 159 CYS A CA  1 ? 
ATOM   1216 C CA  B CYS A 1 159 ? -0.349  -15.088 13.779  0.410 19.100  0 159 CYS A CA  1 ? 
ATOM   1217 C C   . CYS A 1 159 ? 0.040   -13.711 14.305  1.000 19.723  0 159 CYS A C   1 ? 
ATOM   1218 O O   . CYS A 1 159 ? 1.226   -13.406 14.508  1.000 21.003  0 159 CYS A O   1 ? 
ATOM   1219 C CB  A CYS A 1 159 ? 0.767   -15.826 13.157  0.590 19.586  0 159 CYS A CB  1 ? 
ATOM   1220 C CB  B CYS A 1 159 ? 0.849   -15.756 13.115  0.410 18.818  0 159 CYS A CB  1 ? 
ATOM   1221 S SG  A CYS A 1 159 ? 1.679   -16.746 14.407  0.590 20.549  0 159 CYS A SG  1 ? 
ATOM   1222 S SG  B CYS A 1 159 ? 0.598   -17.517 12.754  0.410 18.660  0 159 CYS A SG  1 ? 
ATOM   1223 N N   . THR A 1 160 ? -0.976  -12.898 14.577  1.000 20.664  0 160 THR A N   1 ? 
ATOM   1224 C CA  . THR A 1 160 ? -0.826  -11.514 14.942  1.000 22.133  0 160 THR A CA  1 ? 
ATOM   1225 C C   . THR A 1 160 ? -0.041  -11.340 16.240  1.000 25.631  0 160 THR A C   1 ? 
ATOM   1226 O O   . THR A 1 160 ? 0.640   -10.329 16.333  1.000 30.588  0 160 THR A O   1 ? 
ATOM   1227 C CB  . THR A 1 160 ? -2.217  -10.894 15.125  1.000 24.309  0 160 THR A CB  1 ? 
ATOM   1228 O OG1 . THR A 1 160 ? -2.909  -11.141 13.916  1.000 27.946  0 160 THR A OG1 1 ? 
ATOM   1229 C CG2 . THR A 1 160 ? -2.141  -9.398  15.296  1.000 31.458  0 160 THR A CG2 1 ? 
ATOM   1230 N N   . THR A 1 161 ? -0.212  -12.234 17.217  1.000 25.157  0 161 THR A N   1 ? 
ATOM   1231 C CA  . THR A 1 161 ? 0.435   -12.047 18.515  1.000 31.740  0 161 THR A CA  1 ? 
ATOM   1232 C C   . THR A 1 161 ? 1.838   -12.647 18.487  1.000 37.717  0 161 THR A C   1 ? 
ATOM   1233 O O   . THR A 1 161 ? 2.542   -12.564 19.488  1.000 39.506  0 161 THR A O   1 ? 
ATOM   1234 C CB  . THR A 1 161 ? -0.379  -12.683 19.640  1.000 32.852  0 161 THR A CB  1 ? 
ATOM   1235 O OG1 . THR A 1 161 ? -0.184  -14.087 19.528  1.000 33.536  0 161 THR A OG1 1 ? 
ATOM   1236 C CG2 . THR A 1 161 ? -1.865  -12.367 19.597  1.000 37.175  0 161 THR A CG2 1 ? 
ATOM   1237 N N   . GLY A 1 162 ? 2.216   -13.288 17.377  1.000 31.152  0 162 GLY A N   1 ? 
ATOM   1238 C CA  . GLY A 1 162 ? 3.489   -13.976 17.273  1.000 34.242  0 162 GLY A CA  1 ? 
ATOM   1239 C C   . GLY A 1 162 ? 3.418   -15.355 17.913  1.000 31.465  0 162 GLY A C   1 ? 
ATOM   1240 O O   . GLY A 1 162 ? 4.392   -16.101 17.942  1.000 33.357  0 162 GLY A O   1 ? 
ATOM   1241 N N   . LYS A 1 163 ? 2.239   -15.698 18.403  1.000 29.644  0 163 LYS A N   1 ? 
ATOM   1242 C CA  . LYS A 1 163 ? 1.994   -17.030 18.863  1.000 30.602  0 163 LYS A CA  1 ? 
ATOM   1243 C C   . LYS A 1 163 ? 0.761   -17.520 18.121  1.000 30.138  0 163 LYS A C   1 ? 
ATOM   1244 O O   . LYS A 1 163 ? -0.297  -16.901 18.122  1.000 33.116  0 163 LYS A O   1 ? 
ATOM   1245 C CB  . LYS A 1 163 ? 1.776   -17.074 20.379  1.000 37.903  0 163 LYS A CB  1 ? 
ATOM   1246 C CG  . LYS A 1 163 ? 2.775   -16.344 21.280  0.750 43.922  0 163 LYS A CG  1 ? 
ATOM   1247 C CD  . LYS A 1 163 ? 3.837   -17.186 21.990  0.600 51.983  0 163 LYS A CD  1 ? 
ATOM   1248 C CE  . LYS A 1 163 ? 5.077   -17.490 21.181  0.830 58.783  0 163 LYS A CE  1 ? 
ATOM   1249 N NZ  . LYS A 1 163 ? 5.009   -18.749 20.430  0.680 60.942  0 163 LYS A NZ  1 ? 
ATOM   1250 N N   . CYS A 1 164 ? 0.940   -18.664 17.498  1.000 25.214  0 164 CYS A N   1 ? 
ATOM   1251 C CA  . CYS A 1 164 ? -0.134  -19.330 16.801  1.000 18.973  0 164 CYS A CA  1 ? 
ATOM   1252 C C   . CYS A 1 164 ? 0.336   -20.756 16.564  1.000 21.752  0 164 CYS A C   1 ? 
ATOM   1253 O O   . CYS A 1 164 ? 1.539   -21.029 16.527  1.000 23.927  0 164 CYS A O   1 ? 
ATOM   1254 C CB  . CYS A 1 164 ? -0.448  -18.633 15.485  1.000 19.837  0 164 CYS A CB  1 ? 
ATOM   1255 S SG  . CYS A 1 164 ? 0.942   -18.577 14.331  1.000 21.922  0 164 CYS A SG  1 ? 
ATOM   1256 N N   . GLY A 1 165 ? -0.625  -21.634 16.266  1.000 18.813  0 165 GLY A N   1 ? 
ATOM   1257 C CA  . GLY A 1 165 ? -0.323  -22.996 15.923  1.000 17.835  0 165 GLY A CA  1 ? 
ATOM   1258 C C   . GLY A 1 165 ? -0.831  -23.282 14.521  1.000 17.425  0 165 GLY A C   1 ? 
ATOM   1259 O O   . GLY A 1 165 ? -1.520  -22.469 13.906  1.000 18.719  0 165 GLY A O   1 ? 
ATOM   1260 N N   . PRO A 1 166 ? -0.544  -24.492 14.026  1.000 17.132  0 166 PRO A N   1 ? 
ATOM   1261 C CA  . PRO A 1 166 ? -1.140  -24.968 12.807  1.000 17.039  0 166 PRO A CA  1 ? 
ATOM   1262 C C   . PRO A 1 166 ? -2.651  -25.081 12.979  1.000 17.285  0 166 PRO A C   1 ? 
ATOM   1263 O O   . PRO A 1 166 ? -3.139  -25.241 14.099  1.000 17.237  0 166 PRO A O   1 ? 
ATOM   1264 C CB  . PRO A 1 166 ? -0.450  -26.289 12.568  1.000 19.475  0 166 PRO A CB  1 ? 
ATOM   1265 C CG  . PRO A 1 166 ? 0.092   -26.720 13.914  1.000 23.792  0 166 PRO A CG  1 ? 
ATOM   1266 C CD  . PRO A 1 166 ? 0.226   -25.500 14.762  1.000 20.329  0 166 PRO A CD  1 ? 
ATOM   1267 N N   . THR A 1 167 ? -3.378  -25.070 11.882  1.000 16.163  0 167 THR A N   1 ? 
ATOM   1268 C CA  . THR A 1 167 ? -4.836  -25.103 11.901  1.000 14.628  0 167 THR A CA  1 ? 
ATOM   1269 C C   . THR A 1 167 ? -5.326  -26.123 10.898  1.000 15.807  0 167 THR A C   1 ? 
ATOM   1270 O O   . THR A 1 167 ? -4.534  -26.592 10.074  1.000 17.164  0 167 THR A O   1 ? 
ATOM   1271 C CB  . THR A 1 167 ? -5.377  -23.704 11.578  1.000 16.409  0 167 THR A CB  1 ? 
ATOM   1272 O OG1 . THR A 1 167 ? -5.031  -23.408 10.218  1.000 16.542  0 167 THR A OG1 1 ? 
ATOM   1273 C CG2 . THR A 1 167 ? -4.845  -22.633 12.504  1.000 15.418  0 167 THR A CG2 1 ? 
ATOM   1274 N N   . GLU A 1 168 ? -6.618  -26.423 10.875  1.000 16.168  0 168 GLU A N   1 ? 
ATOM   1275 C CA  A GLU A 1 168 ? -7.181  -27.318 9.875   0.420 17.954  0 168 GLU A CA  1 ? 
ATOM   1276 C CA  B GLU A 1 168 ? -7.155  -27.327 9.876   0.580 17.817  0 168 GLU A CA  1 ? 
ATOM   1277 C C   . GLU A 1 168 ? -6.828  -26.809 8.475   1.000 16.877  0 168 GLU A C   1 ? 
ATOM   1278 O O   . GLU A 1 168 ? -6.511  -27.573 7.571   1.000 17.480  0 168 GLU A O   1 ? 
ATOM   1279 C CB  A GLU A 1 168 ? -8.698  -27.424 10.010  0.420 21.888  0 168 GLU A CB  1 ? 
ATOM   1280 C CB  B GLU A 1 168 ? -8.644  -27.543 10.112  0.580 21.735  0 168 GLU A CB  1 ? 
ATOM   1281 C CG  A GLU A 1 168 ? -9.284  -28.623 9.264   0.420 25.108  0 168 GLU A CG  1 ? 
ATOM   1282 C CG  B GLU A 1 168 ? -8.899  -28.583 11.199  0.580 26.135  0 168 GLU A CG  1 ? 
ATOM   1283 C CD  A GLU A 1 168 ? -10.797 -28.613 9.142   0.420 33.570  0 168 GLU A CD  1 ? 
ATOM   1284 C CD  B GLU A 1 168 ? -8.118  -29.882 10.994  0.580 27.478  0 168 GLU A CD  1 ? 
ATOM   1285 O OE1 A GLU A 1 168 ? -11.446 -28.481 10.189  0.420 37.023  0 168 GLU A OE1 1 ? 
ATOM   1286 O OE1 B GLU A 1 168 ? -8.532  -30.568 10.039  0.580 34.392  0 168 GLU A OE1 1 ? 
ATOM   1287 O OE2 A GLU A 1 168 ? -11.337 -28.723 8.022   0.420 43.546  0 168 GLU A OE2 1 ? 
ATOM   1288 O OE2 B GLU A 1 168 ? -7.056  -30.151 11.632  0.580 26.275  0 168 GLU A OE2 1 ? 
ATOM   1289 N N   . TYR A 1 169 ? -6.875  -25.502 8.309   1.000 15.711  0 169 TYR A N   1 ? 
ATOM   1290 C CA  . TYR A 1 169 ? -6.611  -24.913 7.005   1.000 15.194  0 169 TYR A CA  1 ? 
ATOM   1291 C C   . TYR A 1 169 ? -5.134  -24.922 6.634   1.000 15.984  0 169 TYR A C   1 ? 
ATOM   1292 O O   . TYR A 1 169 ? -4.822  -25.266 5.488   1.000 16.525  0 169 TYR A O   1 ? 
ATOM   1293 C CB  . TYR A 1 169 ? -7.141  -23.485 6.954   1.000 15.658  0 169 TYR A CB  1 ? 
ATOM   1294 C CG  . TYR A 1 169 ? -8.646  -23.387 7.101   1.000 15.303  0 169 TYR A CG  1 ? 
ATOM   1295 C CD1 . TYR A 1 169 ? -9.519  -24.083 6.269   1.000 16.671  0 169 TYR A CD1 1 ? 
ATOM   1296 C CD2 . TYR A 1 169 ? -9.196  -22.635 8.138   1.000 15.733  0 169 TYR A CD2 1 ? 
ATOM   1297 C CE1 . TYR A 1 169 ? -10.882 -23.931 6.385   1.000 18.505  0 169 TYR A CE1 1 ? 
ATOM   1298 C CE2 . TYR A 1 169 ? -10.566 -22.502 8.281   1.000 17.963  0 169 TYR A CE2 1 ? 
ATOM   1299 C CZ  . TYR A 1 169 ? -11.406 -23.157 7.401   1.000 19.434  0 169 TYR A CZ  1 ? 
ATOM   1300 O OH  . TYR A 1 169 ? -12.761 -23.056 7.577   1.000 20.470  0 169 TYR A OH  1 ? 
ATOM   1301 N N   . SER A 1 170 ? -4.235  -24.598 7.563   1.000 15.405  0 170 SER A N   1 ? 
ATOM   1302 C CA  . SER A 1 170 ? -2.815  -24.639 7.269   1.000 16.694  0 170 SER A CA  1 ? 
ATOM   1303 C C   . SER A 1 170 ? -2.411  -26.081 6.953   1.000 15.121  0 170 SER A C   1 ? 
ATOM   1304 O O   . SER A 1 170 ? -1.610  -26.337 6.030   1.000 17.533  0 170 SER A O   1 ? 
ATOM   1305 C CB  . SER A 1 170 ? -1.999  -24.056 8.358   1.000 17.233  0 170 SER A CB  1 ? 
ATOM   1306 O OG  . SER A 1 170 ? -1.842  -24.918 9.479   1.000 16.516  0 170 SER A OG  1 ? 
ATOM   1307 N N   . ARG A 1 171 ? -3.012  -27.052 7.645   1.000 14.995  0 171 ARG A N   1 ? 
ATOM   1308 C CA  . ARG A 1 171 ? -2.630  -28.444 7.445   1.000 17.104  0 171 ARG A CA  1 ? 
ATOM   1309 C C   . ARG A 1 171 ? -3.047  -28.923 6.065   1.000 16.236  0 171 ARG A C   1 ? 
ATOM   1310 O O   . ARG A 1 171 ? -2.382  -29.832 5.553   1.000 18.800  0 171 ARG A O   1 ? 
ATOM   1311 C CB  . ARG A 1 171 ? -3.275  -29.360 8.505   1.000 18.661  0 171 ARG A CB  1 ? 
ATOM   1312 C CG  . ARG A 1 171 ? -2.581  -29.200 9.836   1.000 19.358  0 171 ARG A CG  1 ? 
ATOM   1313 C CD  . ARG A 1 171 ? -3.303  -30.150 10.831  1.000 22.062  0 171 ARG A CD  1 ? 
ATOM   1314 N NE  . ARG A 1 171 ? -2.717  -29.969 12.147  1.000 25.255  0 171 ARG A NE  1 ? 
ATOM   1315 C CZ  . ARG A 1 171 ? -3.282  -29.262 13.133  1.000 23.959  0 171 ARG A CZ  1 ? 
ATOM   1316 N NH1 . ARG A 1 171 ? -4.454  -28.719 12.963  1.000 23.974  0 171 ARG A NH1 1 ? 
ATOM   1317 N NH2 . ARG A 1 171 ? -2.665  -29.140 14.289  1.000 26.929  0 171 ARG A NH2 1 ? 
ATOM   1318 N N   . PHE A 1 172 ? -4.071  -28.343 5.461   1.000 15.780  0 172 PHE A N   1 ? 
ATOM   1319 C CA  . PHE A 1 172 ? -4.490  -28.675 4.113   1.000 16.637  0 172 PHE A CA  1 ? 
ATOM   1320 C C   . PHE A 1 172 ? -3.355  -28.335 3.148   1.000 17.281  0 172 PHE A C   1 ? 
ATOM   1321 O O   . PHE A 1 172 ? -2.956  -29.140 2.318   1.000 16.645  0 172 PHE A O   1 ? 
ATOM   1322 C CB  . PHE A 1 172 ? -5.796  -27.960 3.783   1.000 19.018  0 172 PHE A CB  1 ? 
ATOM   1323 C CG  . PHE A 1 172 ? -6.002  -27.830 2.290   1.000 17.282  0 172 PHE A CG  1 ? 
ATOM   1324 C CD1 . PHE A 1 172 ? -6.363  -28.965 1.580   1.000 18.005  0 172 PHE A CD1 1 ? 
ATOM   1325 C CD2 . PHE A 1 172 ? -5.726  -26.664 1.605   1.000 17.496  0 172 PHE A CD2 1 ? 
ATOM   1326 C CE1 . PHE A 1 172 ? -6.491  -28.931 0.195   1.000 20.474  0 172 PHE A CE1 1 ? 
ATOM   1327 C CE2 . PHE A 1 172 ? -5.855  -26.653 0.209   1.000 18.716  0 172 PHE A CE2 1 ? 
ATOM   1328 C CZ  . PHE A 1 172 ? -6.279  -27.769 -0.475  1.000 19.721  0 172 PHE A CZ  1 ? 
ATOM   1329 N N   . PHE A 1 173 ? -2.859  -27.088 3.245   1.000 16.804  0 173 PHE A N   1 ? 
ATOM   1330 C CA  . PHE A 1 173 ? -1.769  -26.682 2.366   1.000 15.634  0 173 PHE A CA  1 ? 
ATOM   1331 C C   . PHE A 1 173 ? -0.540  -27.537 2.610   1.000 16.274  0 173 PHE A C   1 ? 
ATOM   1332 O O   . PHE A 1 173 ? 0.150   -27.874 1.678   1.000 17.049  0 173 PHE A O   1 ? 
ATOM   1333 C CB  . PHE A 1 173 ? -1.465  -25.195 2.546   1.000 16.079  0 173 PHE A CB  1 ? 
ATOM   1334 C CG  . PHE A 1 173 ? -2.522  -24.262 2.009   1.000 14.744  0 173 PHE A CG  1 ? 
ATOM   1335 C CD1 . PHE A 1 173 ? -2.510  -23.873 0.682   1.000 15.397  0 173 PHE A CD1 1 ? 
ATOM   1336 C CD2 . PHE A 1 173 ? -3.534  -23.766 2.810   1.000 15.988  0 173 PHE A CD2 1 ? 
ATOM   1337 C CE1 . PHE A 1 173 ? -3.460  -23.003 0.192   1.000 18.164  0 173 PHE A CE1 1 ? 
ATOM   1338 C CE2 . PHE A 1 173 ? -4.489  -22.948 2.307   1.000 16.888  0 173 PHE A CE2 1 ? 
ATOM   1339 C CZ  . PHE A 1 173 ? -4.463  -22.576 0.996   1.000 18.747  0 173 PHE A CZ  1 ? 
ATOM   1340 N N   . LYS A 1 174 ? -0.223  -27.858 3.843   1.000 15.597  0 174 LYS A N   1 ? 
ATOM   1341 C CA  . LYS A 1 174 ? 0.974   -28.580 4.211   1.000 16.347  0 174 LYS A CA  1 ? 
ATOM   1342 C C   . LYS A 1 174 ? 0.915   -30.022 3.720   1.000 17.008  0 174 LYS A C   1 ? 
ATOM   1343 O O   . LYS A 1 174 ? 1.946   -30.555 3.323   1.000 19.848  0 174 LYS A O   1 ? 
ATOM   1344 C CB  . LYS A 1 174 ? 1.185   -28.499 5.724   1.000 17.012  0 174 LYS A CB  1 ? 
ATOM   1345 C CG  . LYS A 1 174 ? 2.593   -28.853 6.119   1.000 20.189  0 174 LYS A CG  1 ? 
ATOM   1346 C CD  . LYS A 1 174 ? 3.627   -27.843 5.623   1.000 21.959  0 174 LYS A CD  1 ? 
ATOM   1347 C CE  . LYS A 1 174 ? 5.002   -28.039 6.169   1.000 22.730  0 174 LYS A CE  1 ? 
ATOM   1348 N NZ  . LYS A 1 174 ? 5.858   -26.935 5.782   1.000 23.602  0 174 LYS A NZ  1 ? 
ATOM   1349 N N   . ARG A 1 175 ? -0.275  -30.622 3.743   1.000 18.221  0 175 ARG A N   1 ? 
ATOM   1350 C CA  . ARG A 1 175 ? -0.435  -31.991 3.289   1.000 21.083  0 175 ARG A CA  1 ? 
ATOM   1351 C C   . ARG A 1 175 ? -0.149  -32.082 1.789   1.000 22.135  0 175 ARG A C   1 ? 
ATOM   1352 O O   . ARG A 1 175 ? 0.484   -33.032 1.352   1.000 22.088  0 175 ARG A O   1 ? 
ATOM   1353 C CB  . ARG A 1 175 ? -1.878  -32.420 3.583   1.000 23.321  0 175 ARG A CB  1 ? 
ATOM   1354 C CG  . ARG A 1 175 ? -2.285  -33.774 3.031   1.000 28.654  0 175 ARG A CG  1 ? 
ATOM   1355 C CD  . ARG A 1 175 ? -3.639  -34.211 3.624   1.000 26.856  0 175 ARG A CD  1 ? 
ATOM   1356 N NE  . ARG A 1 175 ? -4.851  -33.480 3.219   1.000 31.703  0 175 ARG A NE  1 ? 
ATOM   1357 C CZ  . ARG A 1 175 ? -5.484  -33.640 2.046   1.000 31.839  0 175 ARG A CZ  1 ? 
ATOM   1358 N NH1 . ARG A 1 175 ? -4.983  -34.445 1.124   1.000 35.390  0 175 ARG A NH1 1 ? 
ATOM   1359 N NH2 . ARG A 1 175 ? -6.584  -32.982 1.775   1.000 33.998  0 175 ARG A NH2 1 ? 
ATOM   1360 N N   . LEU A 1 176 ? -0.622  -31.113 1.023   1.000 18.988  0 176 LEU A N   1 ? 
ATOM   1361 C CA  . LEU A 1 176 ? -0.450  -31.115 -0.430  1.000 19.543  0 176 LEU A CA  1 ? 
ATOM   1362 C C   . LEU A 1 176 ? 0.940   -30.642 -0.854  1.000 22.142  0 176 LEU A C   1 ? 
ATOM   1363 O O   . LEU A 1 176 ? 1.483   -31.153 -1.878  1.000 21.056  0 176 LEU A O   1 ? 
ATOM   1364 C CB  . LEU A 1 176 ? -1.564  -30.315 -1.091  1.000 22.268  0 176 LEU A CB  1 ? 
ATOM   1365 C CG  . LEU A 1 176 ? -2.896  -31.068 -1.171  1.000 30.272  0 176 LEU A CG  1 ? 
ATOM   1366 C CD1 . LEU A 1 176 ? -3.956  -30.320 -1.907  1.000 32.171  0 176 LEU A CD1 1 ? 
ATOM   1367 C CD2 . LEU A 1 176 ? -2.663  -32.456 -1.755  1.000 35.180  0 176 LEU A CD2 1 ? 
ATOM   1368 N N   . CYS A 1 177 ? 1.537   -29.719 -0.082  1.000 17.447  0 177 CYS A N   1 ? 
ATOM   1369 C CA  . CYS A 1 177 ? 2.833   -29.134 -0.420  1.000 18.832  0 177 CYS A CA  1 ? 
ATOM   1370 C C   . CYS A 1 177 ? 3.678   -29.007 0.839   1.000 17.969  0 177 CYS A C   1 ? 
ATOM   1371 O O   . CYS A 1 177 ? 3.830   -27.949 1.449   1.000 18.024  0 177 CYS A O   1 ? 
ATOM   1372 C CB  . CYS A 1 177 ? 2.659   -27.772 -1.067  1.000 17.542  0 177 CYS A CB  1 ? 
ATOM   1373 S SG  . CYS A 1 177 ? 2.168   -27.962 -2.793  1.000 18.703  0 177 CYS A SG  1 ? 
ATOM   1374 N N   . PRO A 1 178 ? 4.293   -30.114 1.270   1.000 19.645  0 178 PRO A N   1 ? 
ATOM   1375 C CA  . PRO A 1 178 ? 5.113   -30.089 2.464   1.000 19.811  0 178 PRO A CA  1 ? 
ATOM   1376 C C   . PRO A 1 178 ? 6.315   -29.147 2.442   1.000 20.233  0 178 PRO A C   1 ? 
ATOM   1377 O O   . PRO A 1 178 ? 6.799   -28.715 3.469   1.000 21.785  0 178 PRO A O   1 ? 
ATOM   1378 C CB  . PRO A 1 178 ? 5.577   -31.567 2.597   1.000 24.015  0 178 PRO A CB  1 ? 
ATOM   1379 C CG  . PRO A 1 178 ? 4.741   -32.347 1.643   1.000 26.370  0 178 PRO A CG  1 ? 
ATOM   1380 C CD  . PRO A 1 178 ? 4.165   -31.440 0.636   1.000 23.158  0 178 PRO A CD  1 ? 
ATOM   1381 N N   . ASP A 1 179 ? 6.818   -28.842 1.250   1.000 20.514  0 179 ASP A N   1 ? 
ATOM   1382 C CA  A ASP A 1 179 ? 8.033   -28.053 1.127   0.880 23.840  0 179 ASP A CA  1 ? 
ATOM   1383 C CA  B ASP A 1 179 ? 8.041   -28.063 1.140   0.120 21.025  0 179 ASP A CA  1 ? 
ATOM   1384 C C   . ASP A 1 179 ? 7.740   -26.567 0.991   1.000 22.607  0 179 ASP A C   1 ? 
ATOM   1385 O O   . ASP A 1 179 ? 8.632   -25.788 0.713   1.000 25.048  0 179 ASP A O   1 ? 
ATOM   1386 C CB  A ASP A 1 179 ? 8.828   -28.500 -0.087  0.880 27.834  0 179 ASP A CB  1 ? 
ATOM   1387 C CB  B ASP A 1 179 ? 8.932   -28.679 0.073   0.120 20.730  0 179 ASP A CB  1 ? 
ATOM   1388 C CG  A ASP A 1 179 ? 9.645   -29.760 0.145   0.880 37.551  0 179 ASP A CG  1 ? 
ATOM   1389 C CG  B ASP A 1 179 ? 9.149   -30.178 0.244   0.120 20.636  0 179 ASP A CG  1 ? 
ATOM   1390 O OD1 A ASP A 1 179 ? 9.950   -30.071 1.347   0.880 43.643  0 179 ASP A OD1 1 ? 
ATOM   1391 O OD1 B ASP A 1 179 ? 9.380   -30.614 1.405   0.120 20.467  0 179 ASP A OD1 1 ? 
ATOM   1392 O OD2 A ASP A 1 179 ? 9.920   -30.437 -0.865  0.880 37.531  0 179 ASP A OD2 1 ? 
ATOM   1393 O OD2 B ASP A 1 179 ? 9.076   -30.899 -0.774  0.120 19.454  0 179 ASP A OD2 1 ? 
ATOM   1394 N N   . ALA A 1 180 ? 6.492   -26.154 1.220   1.000 17.821  0 180 ALA A N   1 ? 
ATOM   1395 C CA  . ALA A 1 180 ? 6.120   -24.749 1.211   1.000 17.484  0 180 ALA A CA  1 ? 
ATOM   1396 C C   . ALA A 1 180 ? 5.628   -24.322 2.590   1.000 17.570  0 180 ALA A C   1 ? 
ATOM   1397 O O   . ALA A 1 180 ? 4.991   -25.113 3.276   1.000 18.133  0 180 ALA A O   1 ? 
ATOM   1398 C CB  . ALA A 1 180 ? 5.048   -24.486 0.200   1.000 19.674  0 180 ALA A CB  1 ? 
ATOM   1399 N N   . PHE A 1 181 ? 5.880   -23.077 2.957   1.000 16.494  0 181 PHE A N   1 ? 
ATOM   1400 C CA  . PHE A 1 181 ? 5.318   -22.516 4.190   1.000 16.931  0 181 PHE A CA  1 ? 
ATOM   1401 C C   . PHE A 1 181 ? 3.800   -22.530 4.166   1.000 16.972  0 181 PHE A C   1 ? 
ATOM   1402 O O   . PHE A 1 181 ? 3.189   -22.115 3.190   1.000 16.656  0 181 PHE A O   1 ? 
ATOM   1403 C CB  . PHE A 1 181 ? 5.747   -21.083 4.398   1.000 17.569  0 181 PHE A CB  1 ? 
ATOM   1404 C CG  . PHE A 1 181 ? 7.153   -20.928 4.923   1.000 19.537  0 181 PHE A CG  1 ? 
ATOM   1405 C CD1 . PHE A 1 181 ? 8.233   -20.905 4.066   1.000 21.888  0 181 PHE A CD1 1 ? 
ATOM   1406 C CD2 . PHE A 1 181 ? 7.379   -20.820 6.275   1.000 20.442  0 181 PHE A CD2 1 ? 
ATOM   1407 C CE1 . PHE A 1 181 ? 9.518   -20.717 4.577   1.000 23.422  0 181 PHE A CE1 1 ? 
ATOM   1408 C CE2 . PHE A 1 181 ? 8.655   -20.646 6.782   1.000 21.946  0 181 PHE A CE2 1 ? 
ATOM   1409 C CZ  . PHE A 1 181 ? 9.712   -20.591 5.927   1.000 23.222  0 181 PHE A CZ  1 ? 
ATOM   1410 N N   . SER A 1 182 ? 3.181   -23.061 5.239   1.000 17.201  0 182 SER A N   1 ? 
ATOM   1411 C CA  . SER A 1 182 ? 1.723   -23.165 5.296   1.000 16.292  0 182 SER A CA  1 ? 
ATOM   1412 C C   . SER A 1 182 ? 1.077   -22.168 6.254   1.000 17.296  0 182 SER A C   1 ? 
ATOM   1413 O O   . SER A 1 182 ? -0.133  -21.919 6.164   1.000 18.082  0 182 SER A O   1 ? 
ATOM   1414 C CB  . SER A 1 182 ? 1.282   -24.555 5.581   1.000 17.642  0 182 SER A CB  1 ? 
ATOM   1415 O OG  . SER A 1 182 ? 1.641   -24.941 6.914   1.000 18.671  0 182 SER A OG  1 ? 
ATOM   1416 N N   . TYR A 1 183 ? 1.857   -21.621 7.187   1.000 16.703  0 183 TYR A N   1 ? 
ATOM   1417 C CA  . TYR A 1 183 ? 1.408   -20.580 8.095   1.000 17.918  0 183 TYR A CA  1 ? 
ATOM   1418 C C   . TYR A 1 183 ? 2.661   -19.873 8.595   1.000 20.140  0 183 TYR A C   1 ? 
ATOM   1419 O O   . TYR A 1 183 ? 3.781   -20.350 8.357   1.000 19.064  0 183 TYR A O   1 ? 
ATOM   1420 C CB  . TYR A 1 183 ? 0.517   -21.150 9.216   1.000 18.728  0 183 TYR A CB  1 ? 
ATOM   1421 C CG  . TYR A 1 183 ? 1.225   -21.956 10.291  1.000 17.042  0 183 TYR A CG  1 ? 
ATOM   1422 C CD1 . TYR A 1 183 ? 1.665   -23.255 10.077  1.000 18.464  0 183 TYR A CD1 1 ? 
ATOM   1423 C CD2 . TYR A 1 183 ? 1.417   -21.420 11.578  1.000 19.196  0 183 TYR A CD2 1 ? 
ATOM   1424 C CE1 . TYR A 1 183 ? 2.319   -23.987 11.062  1.000 19.189  0 183 TYR A CE1 1 ? 
ATOM   1425 C CE2 . TYR A 1 183 ? 2.019   -22.163 12.586  1.000 19.034  0 183 TYR A CE2 1 ? 
ATOM   1426 C CZ  . TYR A 1 183 ? 2.456   -23.452 12.333  1.000 22.218  0 183 TYR A CZ  1 ? 
ATOM   1427 O OH  . TYR A 1 183 ? 3.097   -24.189 13.294  1.000 26.234  0 183 TYR A OH  1 ? 
ATOM   1428 N N   . VAL A 1 184 ? 2.461   -18.754 9.307   1.000 21.938  0 184 VAL A N   1 ? 
ATOM   1429 C CA  . VAL A 1 184 ? 3.587   -17.859 9.596   1.000 22.516  0 184 VAL A CA  1 ? 
ATOM   1430 C C   . VAL A 1 184 ? 4.656   -18.579 10.412  1.000 22.314  0 184 VAL A C   1 ? 
ATOM   1431 O O   . VAL A 1 184 ? 5.832   -18.414 10.105  1.000 25.091  0 184 VAL A O   1 ? 
ATOM   1432 C CB  . VAL A 1 184 ? 3.093   -16.567 10.292  1.000 26.111  0 184 VAL A CB  1 ? 
ATOM   1433 C CG1 . VAL A 1 184 ? 4.217   -15.758 10.930  1.000 30.277  0 184 VAL A CG1 1 ? 
ATOM   1434 C CG2 . VAL A 1 184 ? 2.262   -15.738 9.342   1.000 30.227  0 184 VAL A CG2 1 ? 
ATOM   1435 N N   . LEU A 1 185 ? 4.311   -19.434 11.388  1.000 21.604  0 185 LEU A N   1 ? 
ATOM   1436 C CA  . LEU A 1 185 ? 5.287   -20.053 12.279  1.000 24.676  0 185 LEU A CA  1 ? 
ATOM   1437 C C   . LEU A 1 185 ? 5.587   -21.491 11.903  1.000 23.194  0 185 LEU A C   1 ? 
ATOM   1438 O O   . LEU A 1 185 ? 6.041   -22.298 12.726  1.000 24.924  0 185 LEU A O   1 ? 
ATOM   1439 C CB  . LEU A 1 185 ? 4.861   -19.990 13.746  1.000 27.953  0 185 LEU A CB  1 ? 
ATOM   1440 C CG  . LEU A 1 185 ? 5.042   -18.639 14.428  1.000 33.057  0 185 LEU A CG  1 ? 
ATOM   1441 C CD1 . LEU A 1 185 ? 4.481   -18.781 15.831  1.000 30.832  0 185 LEU A CD1 1 ? 
ATOM   1442 C CD2 . LEU A 1 185 ? 6.479   -18.176 14.411  1.000 39.737  0 185 LEU A CD2 1 ? 
ATOM   1443 N N   . ASP A 1 186 ? 5.307   -21.858 10.648  1.000 20.421  0 186 ASP A N   1 ? 
ATOM   1444 C CA  . ASP A 1 186 ? 5.591   -23.192 10.178  1.000 20.749  0 186 ASP A CA  1 ? 
ATOM   1445 C C   . ASP A 1 186 ? 7.094   -23.483 10.347  1.000 22.186  0 186 ASP A C   1 ? 
ATOM   1446 O O   . ASP A 1 186 ? 7.897   -22.560 10.277  1.000 25.754  0 186 ASP A O   1 ? 
ATOM   1447 C CB  . ASP A 1 186 ? 5.182   -23.287 8.717   1.000 18.908  0 186 ASP A CB  1 ? 
ATOM   1448 C CG  . ASP A 1 186 ? 4.835   -24.671 8.221   1.000 19.298  0 186 ASP A CG  1 ? 
ATOM   1449 O OD1 . ASP A 1 186 ? 5.059   -25.672 8.941   1.000 22.026  0 186 ASP A OD1 1 ? 
ATOM   1450 O OD2 . ASP A 1 186 ? 4.390   -24.807 7.084   1.000 19.887  0 186 ASP A OD2 1 ? 
ATOM   1451 N N   . LYS A 1 187 ? 7.445   -24.741 10.537  1.000 25.496  0 187 LYS A N   1 ? 
ATOM   1452 C CA  . LYS A 1 187 ? 8.850   -25.097 10.594  1.000 28.288  0 187 LYS A CA  1 ? 
ATOM   1453 C C   . LYS A 1 187 ? 9.449   -24.699 9.237   1.000 25.985  0 187 LYS A C   1 ? 
ATOM   1454 O O   . LYS A 1 187 ? 8.885   -25.059 8.217   1.000 26.755  0 187 LYS A O   1 ? 
ATOM   1455 C CB  . LYS A 1 187 ? 9.014   -26.593 10.859  1.000 33.951  0 187 LYS A CB  1 ? 
ATOM   1456 C CG  . LYS A 1 187 ? 10.464  -27.023 11.063  1.000 47.063  0 187 LYS A CG  1 ? 
ATOM   1457 C CD  . LYS A 1 187 ? 10.689  -28.529 11.230  1.000 59.604  0 187 LYS A CD  1 ? 
ATOM   1458 C CE  . LYS A 1 187 ? 10.739  -29.258 9.906   1.000 67.114  0 187 LYS A CE  1 ? 
ATOM   1459 N NZ  . LYS A 1 187 ? 11.659  -30.402 9.878   0.900 65.949  0 187 LYS A NZ  1 ? 
ATOM   1460 N N   . PRO A 1 188 ? 10.537  -23.900 9.176   1.000 26.853  0 188 PRO A N   1 ? 
ATOM   1461 C CA  . PRO A 1 188 ? 10.996  -23.331 7.905   1.000 29.424  0 188 PRO A CA  1 ? 
ATOM   1462 C C   . PRO A 1 188 ? 11.376  -24.398 6.902   1.000 27.295  0 188 PRO A C   1 ? 
ATOM   1463 O O   . PRO A 1 188 ? 11.994  -25.401 7.233   1.000 28.512  0 188 PRO A O   1 ? 
ATOM   1464 C CB  . PRO A 1 188 ? 12.171  -22.410 8.257   1.000 31.083  0 188 PRO A CB  1 ? 
ATOM   1465 C CG  . PRO A 1 188 ? 11.900  -22.088 9.700   1.000 36.757  0 188 PRO A CG  1 ? 
ATOM   1466 C CD  . PRO A 1 188 ? 11.337  -23.388 10.300  1.000 32.234  0 188 PRO A CD  1 ? 
ATOM   1467 N N   . THR A 1 189 ? 10.989  -24.115 5.659   1.000 24.654  0 189 THR A N   1 ? 
ATOM   1468 C CA  . THR A 1 189 ? 11.357  -24.917 4.512   1.000 25.235  0 189 THR A CA  1 ? 
ATOM   1469 C C   . THR A 1 189 ? 12.296  -24.105 3.627   1.000 23.556  0 189 THR A C   1 ? 
ATOM   1470 O O   . THR A 1 189 ? 12.460  -24.426 2.459   1.000 24.581  0 189 THR A O   1 ? 
ATOM   1471 C CB  . THR A 1 189 ? 10.090  -25.334 3.774   1.000 26.804  0 189 THR A CB  1 ? 
ATOM   1472 O OG1 . THR A 1 189 ? 9.334   -24.152 3.520   1.000 26.877  0 189 THR A OG1 1 ? 
ATOM   1473 C CG2 . THR A 1 189 ? 9.306   -26.363 4.566   1.000 32.836  0 189 THR A CG2 1 ? 
ATOM   1474 N N   . THR A 1 190 ? 12.914  -23.067 4.194   1.000 23.192  0 190 THR A N   1 ? 
ATOM   1475 C CA  . THR A 1 190 ? 13.882  -22.265 3.465   1.000 23.732  0 190 THR A CA  1 ? 
ATOM   1476 C C   . THR A 1 190 ? 15.066  -23.137 3.048   1.000 25.578  0 190 THR A C   1 ? 
ATOM   1477 O O   . THR A 1 190 ? 15.554  -23.942 3.843   1.000 27.726  0 190 THR A O   1 ? 
ATOM   1478 C CB  . THR A 1 190 ? 14.312  -21.116 4.379   1.000 27.424  0 190 THR A CB  1 ? 
ATOM   1479 O OG1 . THR A 1 190 ? 13.080  -20.494 4.760   1.000 29.289  0 190 THR A OG1 1 ? 
ATOM   1480 C CG2 . THR A 1 190 ? 15.192  -20.124 3.640   1.000 27.362  0 190 THR A CG2 1 ? 
ATOM   1481 N N   . VAL A 1 191 ? 15.584  -22.874 1.858   1.000 22.370  0 191 VAL A N   1 ? 
ATOM   1482 C CA  . VAL A 1 191 ? 16.817  -23.466 1.366   1.000 22.262  0 191 VAL A CA  1 ? 
ATOM   1483 C C   . VAL A 1 191 ? 17.915  -22.421 1.352   1.000 22.034  0 191 VAL A C   1 ? 
ATOM   1484 O O   . VAL A 1 191 ? 17.737  -21.282 0.923   1.000 23.191  0 191 VAL A O   1 ? 
ATOM   1485 C CB  . VAL A 1 191 ? 16.580  -24.017 -0.050  1.000 24.073  0 191 VAL A CB  1 ? 
ATOM   1486 C CG1 . VAL A 1 191 ? 17.874  -24.522 -0.682  1.000 27.974  0 191 VAL A CG1 1 ? 
ATOM   1487 C CG2 . VAL A 1 191 ? 15.560  -25.129 -0.029  1.000 27.853  0 191 VAL A CG2 1 ? 
ATOM   1488 N N   . THR A 1 192 ? 19.113  -22.863 1.776   1.000 22.953  0 192 THR A N   1 ? 
ATOM   1489 C CA  . THR A 1 192 ? 20.274  -22.004 1.780   1.000 23.743  0 192 THR A CA  1 ? 
ATOM   1490 C C   . THR A 1 192 ? 21.093  -22.374 0.551   1.000 22.223  0 192 THR A C   1 ? 
ATOM   1491 O O   . THR A 1 192 ? 21.447  -23.536 0.384   1.000 25.859  0 192 THR A O   1 ? 
ATOM   1492 C CB  . THR A 1 192 ? 21.094  -22.217 3.055   1.000 26.349  0 192 THR A CB  1 ? 
ATOM   1493 O OG1 . THR A 1 192 ? 20.275  -21.964 4.193   1.000 28.604  0 192 THR A OG1 1 ? 
ATOM   1494 C CG2 . THR A 1 192 ? 22.272  -21.264 3.052   1.000 29.294  0 192 THR A CG2 1 ? 
ATOM   1495 N N   . CYS A 1 193 ? 21.333  -21.380 -0.297  1.000 21.824  0 193 CYS A N   1 ? 
ATOM   1496 C CA  . CYS A 1 193 ? 22.160  -21.496 -1.488  1.000 23.877  0 193 CYS A CA  1 ? 
ATOM   1497 C C   . CYS A 1 193 ? 23.396  -20.613 -1.334  1.000 22.280  0 193 CYS A C   1 ? 
ATOM   1498 O O   . CYS A 1 193 ? 23.407  -19.640 -0.575  1.000 22.823  0 193 CYS A O   1 ? 
ATOM   1499 C CB  . CYS A 1 193 ? 21.407  -21.028 -2.722  1.000 23.151  0 193 CYS A CB  1 ? 
ATOM   1500 S SG  . CYS A 1 193 ? 20.046  -22.145 -3.128  1.000 25.086  0 193 CYS A SG  1 ? 
ATOM   1501 N N   . PRO A 1 194 ? 24.454  -20.877 -2.120  1.000 25.309  0 194 PRO A N   1 ? 
ATOM   1502 C CA  . PRO A 1 194 ? 25.584  -19.952 -2.180  1.000 27.272  0 194 PRO A CA  1 ? 
ATOM   1503 C C   . PRO A 1 194 ? 25.139  -18.551 -2.551  1.000 26.679  0 194 PRO A C   1 ? 
ATOM   1504 O O   . PRO A 1 194 ? 24.278  -18.383 -3.418  1.000 24.742  0 194 PRO A O   1 ? 
ATOM   1505 C CB  . PRO A 1 194 ? 26.448  -20.604 -3.266  1.000 27.813  0 194 PRO A CB  1 ? 
ATOM   1506 C CG  . PRO A 1 194 ? 26.144  -22.057 -3.179  1.000 28.475  0 194 PRO A CG  1 ? 
ATOM   1507 C CD  . PRO A 1 194 ? 24.626  -22.067 -2.964  1.000 28.440  0 194 PRO A CD  1 ? 
ATOM   1508 N N   . GLY A 1 195 ? 25.771  -17.535 -1.944  1.000 22.970  0 195 GLY A N   1 ? 
ATOM   1509 C CA  . GLY A 1 195 ? 25.588  -16.165 -2.362  1.000 22.368  0 195 GLY A CA  1 ? 
ATOM   1510 C C   . GLY A 1 195 ? 25.819  -16.009 -3.853  1.000 23.888  0 195 GLY A C   1 ? 
ATOM   1511 O O   . GLY A 1 195 ? 26.722  -16.645 -4.416  1.000 26.510  0 195 GLY A O   1 ? 
ATOM   1512 N N   . SER A 1 196 ? 24.934  -15.242 -4.483  1.000 21.273  0 196 SER A N   1 ? 
ATOM   1513 C CA  . SER A 1 196 ? 25.059  -14.923 -5.891  1.000 23.735  0 196 SER A CA  1 ? 
ATOM   1514 C C   . SER A 1 196 ? 24.727  -16.105 -6.792  1.000 24.744  0 196 SER A C   1 ? 
ATOM   1515 O O   . SER A 1 196 ? 25.239  -16.192 -7.917  1.000 24.118  0 196 SER A O   1 ? 
ATOM   1516 C CB  . SER A 1 196 ? 26.462  -14.383 -6.184  1.000 26.317  0 196 SER A CB  1 ? 
ATOM   1517 O OG  . SER A 1 196 ? 26.514  -13.068 -5.656  1.000 29.339  0 196 SER A OG  1 ? 
ATOM   1518 N N   . SER A 1 197 ? 23.820  -16.979 -6.350  1.000 23.327  0 197 SER A N   1 ? 
ATOM   1519 C CA  . SER A 1 197 ? 23.317  -18.030 -7.218  1.000 22.008  0 197 SER A CA  1 ? 
ATOM   1520 C C   . SER A 1 197 ? 22.363  -17.431 -8.242  1.000 19.998  0 197 SER A C   1 ? 
ATOM   1521 O O   . SER A 1 197 ? 21.914  -16.320 -8.084  1.000 21.898  0 197 SER A O   1 ? 
ATOM   1522 C CB  . SER A 1 197 ? 22.630  -19.131 -6.444  1.000 22.474  0 197 SER A CB  1 ? 
ATOM   1523 O OG  . SER A 1 197 ? 23.537  -19.814 -5.584  1.000 23.035  0 197 SER A OG  1 ? 
ATOM   1524 N N   . ASN A 1 198 ? 22.061  -18.190 -9.294  1.000 20.171  0 198 ASN A N   1 ? 
ATOM   1525 C CA  . ASN A 1 198 ? 21.029  -17.831 -10.259 1.000 20.065  0 198 ASN A CA  1 ? 
ATOM   1526 C C   . ASN A 1 198 ? 19.924  -18.877 -10.181 1.000 16.268  0 198 ASN A C   1 ? 
ATOM   1527 O O   . ASN A 1 198 ? 20.105  -19.963 -9.671  1.000 19.214  0 198 ASN A O   1 ? 
ATOM   1528 C CB  . ASN A 1 198 ? 21.569  -17.708 -11.681 1.000 21.103  0 198 ASN A CB  1 ? 
ATOM   1529 C CG  . ASN A 1 198 ? 22.604  -16.619 -11.833 1.000 23.093  0 198 ASN A CG  1 ? 
ATOM   1530 O OD1 . ASN A 1 198 ? 22.462  -15.493 -11.341 1.000 24.029  0 198 ASN A OD1 1 ? 
ATOM   1531 N ND2 . ASN A 1 198 ? 23.638  -16.926 -12.606 1.000 31.640  0 198 ASN A ND2 1 ? 
ATOM   1532 N N   . TYR A 1 199 ? 18.733  -18.510 -10.704 1.000 19.408  0 199 TYR A N   1 ? 
ATOM   1533 C CA  . TYR A 1 199 ? 17.539  -19.303 -10.435 1.000 18.973  0 199 TYR A CA  1 ? 
ATOM   1534 C C   . TYR A 1 199 ? 16.584  -19.323 -11.616 1.000 16.634  0 199 TYR A C   1 ? 
ATOM   1535 O O   . TYR A 1 199 ? 16.639  -18.478 -12.490 1.000 17.703  0 199 TYR A O   1 ? 
ATOM   1536 C CB  . TYR A 1 199 ? 16.742  -18.669 -9.271  1.000 18.090  0 199 TYR A CB  1 ? 
ATOM   1537 C CG  . TYR A 1 199 ? 17.561  -18.558 -7.990  1.000 18.690  0 199 TYR A CG  1 ? 
ATOM   1538 C CD1 . TYR A 1 199 ? 17.707  -19.641 -7.158  1.000 18.998  0 199 TYR A CD1 1 ? 
ATOM   1539 C CD2 . TYR A 1 199 ? 18.243  -17.383 -7.697  1.000 19.998  0 199 TYR A CD2 1 ? 
ATOM   1540 C CE1 . TYR A 1 199 ? 18.491  -19.557 -6.005  1.000 19.176  0 199 TYR A CE1 1 ? 
ATOM   1541 C CE2 . TYR A 1 199 ? 19.022  -17.286 -6.548  1.000 19.849  0 199 TYR A CE2 1 ? 
ATOM   1542 C CZ  . TYR A 1 199 ? 19.143  -18.379 -5.723  1.000 19.100  0 199 TYR A CZ  1 ? 
ATOM   1543 O OH  . TYR A 1 199 ? 19.897  -18.365 -4.547  1.000 22.426  0 199 TYR A OH  1 ? 
ATOM   1544 N N   . ARG A 1 200 ? 15.679  -20.311 -11.590 1.000 16.759  0 200 ARG A N   1 ? 
ATOM   1545 C CA  . ARG A 1 200 ? 14.596  -20.425 -12.530 1.000 15.367  0 200 ARG A CA  1 ? 
ATOM   1546 C C   . ARG A 1 200 ? 13.319  -20.645 -11.714 1.000 17.285  0 200 ARG A C   1 ? 
ATOM   1547 O O   . ARG A 1 200 ? 13.315  -21.526 -10.852 1.000 18.472  0 200 ARG A O   1 ? 
ATOM   1548 C CB  . ARG A 1 200 ? 14.785  -21.605 -13.476 1.000 17.136  0 200 ARG A CB  1 ? 
ATOM   1549 C CG  . ARG A 1 200 ? 13.654  -21.786 -14.479 1.000 18.672  0 200 ARG A CG  1 ? 
ATOM   1550 C CD  . ARG A 1 200 ? 13.893  -22.880 -15.487 1.000 23.000  0 200 ARG A CD  1 ? 
ATOM   1551 N NE  . ARG A 1 200 ? 15.002  -22.480 -16.354 1.000 23.625  0 200 ARG A NE  1 ? 
ATOM   1552 C CZ  . ARG A 1 200 ? 16.135  -23.139 -16.506 1.000 29.762  0 200 ARG A CZ  1 ? 
ATOM   1553 N NH1 . ARG A 1 200 ? 16.424  -24.196 -15.790 1.000 32.743  0 200 ARG A NH1 1 ? 
ATOM   1554 N NH2 . ARG A 1 200 ? 16.997  -22.738 -17.421 1.000 30.740  0 200 ARG A NH2 1 ? 
ATOM   1555 N N   . VAL A 1 201 ? 12.296  -19.876 -12.061 1.000 16.459  0 201 VAL A N   1 ? 
ATOM   1556 C CA  . VAL A 1 201 ? 10.961  -20.099 -11.515 1.000 16.290  0 201 VAL A CA  1 ? 
ATOM   1557 C C   . VAL A 1 201 ? 10.113  -20.618 -12.651 1.000 15.376  0 201 VAL A C   1 ? 
ATOM   1558 O O   . VAL A 1 201 ? 9.995   -19.924 -13.663 1.000 16.713  0 201 VAL A O   1 ? 
ATOM   1559 C CB  . VAL A 1 201 ? 10.363  -18.805 -10.964 1.000 17.891  0 201 VAL A CB  1 ? 
ATOM   1560 C CG1 . VAL A 1 201 ? 8.913   -19.036 -10.533 1.000 19.672  0 201 VAL A CG1 1 ? 
ATOM   1561 C CG2 . VAL A 1 201 ? 11.199  -18.251 -9.815  1.000 18.473  0 201 VAL A CG2 1 ? 
ATOM   1562 N N   . THR A 1 202 ? 9.545   -21.806 -12.483 1.000 14.929  0 202 THR A N   1 ? 
ATOM   1563 C CA  . THR A 1 202 ? 8.705   -22.419 -13.500 1.000 15.063  0 202 THR A CA  1 ? 
ATOM   1564 C C   . THR A 1 202 ? 7.274   -22.543 -13.002 1.000 16.820  0 202 THR A C   1 ? 
ATOM   1565 O O   . THR A 1 202 ? 7.055   -23.214 -11.973 1.000 17.612  0 202 THR A O   1 ? 
ATOM   1566 C CB  . THR A 1 202 ? 9.222   -23.803 -13.870 1.000 17.669  0 202 THR A CB  1 ? 
ATOM   1567 O OG1 . THR A 1 202 ? 10.610  -23.768 -14.224 1.000 19.149  0 202 THR A OG1 1 ? 
ATOM   1568 C CG2 . THR A 1 202 ? 8.431   -24.391 -15.024 1.000 18.941  0 202 THR A CG2 1 ? 
ATOM   1569 N N   . PHE A 1 203 ? 6.354   -21.918 -13.716 1.000 15.928  0 203 PHE A N   1 ? 
ATOM   1570 C CA  . PHE A 1 203 ? 4.937   -22.065 -13.429 1.000 15.026  0 203 PHE A CA  1 ? 
ATOM   1571 C C   . PHE A 1 203 ? 4.463   -23.325 -14.115 1.000 16.104  0 203 PHE A C   1 ? 
ATOM   1572 O O   . PHE A 1 203 ? 4.865   -23.593 -15.263 1.000 16.172  0 203 PHE A O   1 ? 
ATOM   1573 C CB  . PHE A 1 203 ? 4.170   -20.842 -13.871 1.000 15.512  0 203 PHE A CB  1 ? 
ATOM   1574 C CG  . PHE A 1 203 ? 4.640   -19.525 -13.302 1.000 16.800  0 203 PHE A CG  1 ? 
ATOM   1575 C CD1 . PHE A 1 203 ? 4.651   -19.326 -11.940 1.000 20.184  0 203 PHE A CD1 1 ? 
ATOM   1576 C CD2 . PHE A 1 203 ? 5.041   -18.511 -14.127 1.000 18.124  0 203 PHE A CD2 1 ? 
ATOM   1577 C CE1 . PHE A 1 203 ? 5.088   -18.101 -11.439 1.000 19.458  0 203 PHE A CE1 1 ? 
ATOM   1578 C CE2 . PHE A 1 203 ? 5.413   -17.293 -13.622 1.000 19.366  0 203 PHE A CE2 1 ? 
ATOM   1579 C CZ  . PHE A 1 203 ? 5.471   -17.120 -12.270 1.000 17.191  0 203 PHE A CZ  1 ? 
ATOM   1580 N N   . CYS A 1 204 ? 3.600   -24.082 -13.434 1.000 14.747  0 204 CYS A N   1 ? 
ATOM   1581 C CA  . CYS A 1 204 ? 3.086   -25.382 -13.905 1.000 15.560  0 204 CYS A CA  1 ? 
ATOM   1582 C C   . CYS A 1 204 ? 4.211   -26.329 -14.303 1.000 16.994  0 204 CYS A C   1 ? 
ATOM   1583 O O   . CYS A 1 204 ? 4.293   -26.792 -15.454 1.000 17.748  0 204 CYS A O   1 ? 
ATOM   1584 C CB  . CYS A 1 204 ? 2.111   -25.214 -15.057 1.000 16.851  0 204 CYS A CB  1 ? 
ATOM   1585 S SG  . CYS A 1 204 ? 0.688   -24.185 -14.657 1.000 17.356  0 204 CYS A SG  1 ? 
ATOM   1586 N N   . PRO A 1 205 ? 5.103   -26.693 -13.365 1.000 17.388  0 205 PRO A N   1 ? 
ATOM   1587 C CA  . PRO A 1 205 ? 6.281   -27.467 -13.701 1.000 18.843  0 205 PRO A CA  1 ? 
ATOM   1588 C C   . PRO A 1 205 ? 5.975   -28.867 -14.216 1.000 24.338  0 205 PRO A C   1 ? 
ATOM   1589 O O   . PRO A 1 205 ? 6.787   -29.417 -14.967 1.000 24.493  0 205 PRO A O   1 ? 
ATOM   1590 C CB  . PRO A 1 205 ? 7.083   -27.510 -12.413 1.000 20.680  0 205 PRO A CB  1 ? 
ATOM   1591 C CG  . PRO A 1 205 ? 6.079   -27.302 -11.322 1.000 20.491  0 205 PRO A CG  1 ? 
ATOM   1592 C CD  . PRO A 1 205 ? 5.083   -26.315 -11.925 1.000 16.814  0 205 PRO A CD  1 ? 
ATOM   1593 N N   . THR A 1 206 ? 4.841   -29.431 -13.799 1.000 22.336  0 206 THR A N   1 ? 
ATOM   1594 C CA  . THR A 1 206 ? 4.454   -30.795 -14.178 1.000 33.251  0 206 THR A CA  1 ? 
ATOM   1595 C C   . THR A 1 206 ? 3.169   -30.757 -14.980 1.000 41.579  0 206 THR A C   1 ? 
ATOM   1596 O O   . THR A 1 206 ? 3.258   -30.285 -16.123 1.000 52.185  0 206 THR A O   1 ? 
ATOM   1597 C CB  . THR A 1 206 ? 4.297   -31.662 -12.926 1.000 39.893  0 206 THR A CB  1 ? 
ATOM   1598 O OG1 . THR A 1 206 ? 3.302   -31.099 -12.084 1.000 43.581  0 206 THR A OG1 1 ? 
ATOM   1599 C CG2 . THR A 1 206 ? 5.572   -31.747 -12.112 1.000 46.945  0 206 THR A CG2 1 ? 
HETATM 1600 O O1  . TLA B 2 .   ? 10.612  -12.537 -26.587 1.000 24.788  0 301 TLA A O1  1 ? 
HETATM 1601 O O11 . TLA B 2 .   ? 10.880  -12.322 -24.435 1.000 26.089  0 301 TLA A O11 1 ? 
HETATM 1602 C C1  . TLA B 2 .   ? 10.471  -12.915 -25.431 1.000 25.702  0 301 TLA A C1  1 ? 
HETATM 1603 C C2  . TLA B 2 .   ? 9.780   -14.270 -25.247 1.000 21.879  0 301 TLA A C2  1 ? 
HETATM 1604 O O2  . TLA B 2 .   ? 9.397   -14.499 -23.890 1.000 21.114  0 301 TLA A O2  1 ? 
HETATM 1605 C C3  . TLA B 2 .   ? 10.744  -15.358 -25.725 1.000 18.892  0 301 TLA A C3  1 ? 
HETATM 1606 O O3  . TLA B 2 .   ? 11.941  -15.362 -24.976 1.000 21.693  0 301 TLA A O3  1 ? 
HETATM 1607 C C4  . TLA B 2 .   ? 10.056  -16.720 -25.604 1.000 17.902  0 301 TLA A C4  1 ? 
HETATM 1608 O O4  . TLA B 2 .   ? 10.478  -17.458 -24.689 1.000 18.225  0 301 TLA A O4  1 ? 
HETATM 1609 O O41 . TLA B 2 .   ? 9.090   -16.927 -26.358 1.000 19.070  0 301 TLA A O41 1 ? 
HETATM 1610 O O   . HOH C 3 .   ? 13.473  -11.796 -2.793  1.000 82.981  0 401 HOH A O   1 ? 
HETATM 1611 O O   . HOH C 3 .   ? 6.018   -14.163 -5.271  1.000 104.267 0 402 HOH A O   1 ? 
HETATM 1612 O O   . HOH C 3 .   ? 21.959  -20.276 -11.531 1.000 91.284  0 403 HOH A O   1 ? 
HETATM 1613 O O   . HOH C 3 .   ? -11.534 -26.518 10.988  1.000 102.145 0 404 HOH A O   1 ? 
HETATM 1614 O O   . HOH C 3 .   ? -10.503 -23.975 1.222   1.000 92.241  0 405 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? 6.080   -10.664 -15.815 1.000 107.135 0 406 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? 18.335  -21.544 -1.166  1.000 109.598 0 407 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? 2.583   -18.606 12.467  1.000 98.573  0 408 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? 18.886  -19.469 -13.866 1.000 67.789  0 409 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? 12.949  -13.546 -15.306 1.000 115.061 0 410 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? -7.813  -24.255 9.970   1.000 90.973  0 411 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? -0.085  -17.303 -10.090 1.000 79.759  0 412 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? -12.801 -19.618 4.515   1.000 91.220  0 413 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? -13.598 -13.522 10.199  1.000 58.170  0 414 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? 16.406  -18.564 -21.900 1.000 92.335  0 415 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? 2.479   -19.597 -15.480 1.000 90.899  0 416 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? 9.344   -32.990 1.397   1.000 64.381  0 417 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? 9.979   -29.539 -3.075  1.000 33.846  0 418 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? -5.688  -11.715 12.138  1.000 83.853  0 419 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? -5.760  -7.260  7.122   1.000 46.813  0 420 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? 1.163   -16.524 -7.022  1.000 77.866  0 421 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? -8.111  -16.663 -12.451 1.000 31.778  0 422 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? -11.784 -27.771 5.827   1.000 50.659  0 423 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? 4.373   -16.012 1.195   1.000 97.462  0 424 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? -11.218 -26.275 7.840   1.000 102.382 0 425 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? -4.160  -5.025  -5.630  1.000 41.082  0 426 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? -1.899  -9.907  12.005  1.000 42.423  0 427 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? 4.060   -26.462 12.970  1.000 46.146  0 428 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? 3.287   -20.220 19.385  1.000 56.823  0 429 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? -7.822  -15.849 17.118  1.000 20.617  0 430 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? 0.328   -29.389 -11.057 1.000 51.148  0 431 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? 3.805   -26.987 -20.807 1.000 81.623  0 432 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? 3.270   -23.309 -2.478  1.000 89.857  0 433 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? 17.172  -7.346  -17.188 1.000 46.537  0 434 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? 17.960  -22.688 4.998   1.000 45.530  0 435 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? -5.474  -9.713  -21.307 1.000 50.862  0 436 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? 13.133  -1.807  -11.615 1.000 47.410  0 437 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 12.864  -7.502  -18.381 1.000 44.135  0 438 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? 23.429  -15.605 6.187   1.000 39.802  0 439 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? 25.194  -21.399 -6.856  1.000 37.861  0 440 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? -2.332  3.859   -26.722 1.000 60.819  0 441 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? 6.903   -16.912 8.268   1.000 44.959  0 442 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? -1.521  -14.891 17.006  1.000 30.450  0 443 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? 15.063  -28.634 -8.751  1.000 46.203  0 444 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? 4.989   -12.728 -27.221 1.000 51.986  0 445 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? 16.820  -4.657  -4.848  1.000 58.863  0 446 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? -4.213  -22.190 -11.576 1.000 62.008  0 447 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? 26.496  -25.178 -1.210  1.000 60.021  0 448 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? -2.871  -24.888 -13.048 1.000 33.079  0 449 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? 2.583   -28.114 -17.423 1.000 40.591  0 450 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 20.453  -4.457  -3.290  1.000 41.199  0 451 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? 0.724   -31.992 -10.174 1.000 58.304  0 452 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? -12.009 -22.780 10.637  1.000 101.523 0 453 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? 12.474  -28.729 -7.406  1.000 39.314  0 454 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? 14.979  -16.757 -21.313 1.000 41.454  0 455 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? 5.097   -19.830 -26.644 1.000 21.053  0 456 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? 3.631   -1.006  -18.459 1.000 53.453  0 457 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? -9.541  -18.211 -17.748 1.000 53.464  0 458 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 21.176  -26.078 1.078   1.000 47.231  0 459 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? 11.355  -9.718  -24.554 1.000 48.682  0 460 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? 21.817  -14.458 -6.008  1.000 24.142  0 461 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? 20.896  -6.545  1.857   1.000 42.028  0 462 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? -2.763  -23.557 -24.647 1.000 43.710  0 463 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? 16.923  -5.295  -13.250 1.000 54.408  0 464 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? 10.698  -20.030 -23.740 1.000 17.176  0 465 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? -6.144  -31.514 9.329   1.000 51.313  0 466 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? 12.306  -23.997 -11.948 1.000 19.733  0 467 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? -1.813  -20.942 4.333   1.000 24.199  0 468 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? -9.176  -19.040 -15.365 1.000 57.207  0 469 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? -16.260 -20.853 9.288   1.000 30.149  0 470 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? -16.857 -22.396 -2.000  1.000 51.092  0 471 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? 7.957   -27.459 7.483   1.000 30.401  0 472 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? 7.492   -17.166 4.219   1.000 58.544  0 473 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? -8.526  -33.081 10.965  1.000 54.218  0 474 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? 3.179   -17.955 -9.515  1.000 110.138 0 475 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? 10.235  -23.641 0.619   1.000 21.795  0 476 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? 3.689   -31.768 -3.279  1.000 51.481  0 477 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? -4.724  -16.415 -17.051 1.000 22.147  0 478 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? 3.609   -27.653 10.028  1.000 45.711  0 479 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? 14.091  -2.477  -7.056  1.000 49.222  0 480 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? 0.554   -28.038 -20.857 1.000 49.758  0 481 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? -0.518  -8.571  -0.659  1.000 42.388  0 482 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? 4.019   -12.215 -24.159 1.000 30.666  0 483 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? 21.928  -19.941 7.470   1.000 58.098  0 484 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? -6.720  -0.475  -12.947 1.000 40.269  0 485 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? 0.219   -26.541 8.843   1.000 19.659  0 486 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? 28.628  -17.930 -5.841  1.000 56.445  0 487 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? -7.242  -12.365 -19.572 1.000 34.085  0 488 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? 2.238   -14.919 -14.134 1.000 76.324  0 489 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? 7.331   -15.523 -27.963 1.000 20.203  0 490 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? -4.528  -11.058 2.783   1.000 45.749  0 491 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? 15.017  -24.694 6.395   1.000 43.594  0 492 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -8.544  -31.662 13.330  1.000 47.794  0 493 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? -5.172  -23.563 -4.989  1.000 88.090  0 494 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? 23.672  -25.988 0.278   1.000 62.866  0 495 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? -1.145  -16.262 20.852  1.000 97.417  0 496 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? 10.899  -20.423 -8.929  1.000 82.110  0 497 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? 0.880   -11.842 -2.481  1.000 23.963  0 498 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? 1.927   -17.324 -8.204  1.000 17.452  0 499 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? 4.946   -15.687 2.761   1.000 26.990  0 500 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? 12.117  -5.649  0.713   1.000 43.611  0 501 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? -0.125  -12.252 9.031   1.000 40.917  0 502 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? -7.163  -27.160 -10.808 1.000 55.881  0 503 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? 15.845  -4.750  -10.652 1.000 49.704  0 504 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? 11.096  -28.730 -14.953 1.000 51.089  0 505 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? -5.054  -23.480 -21.074 1.000 69.578  0 506 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? 7.622   -31.758 -16.112 1.000 50.230  0 507 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? 7.195   -12.190 -18.652 1.000 100.394 0 508 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? 24.617  -7.846  0.764   1.000 38.486  0 509 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? 22.630  -9.364  -16.618 1.000 59.158  0 510 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? 24.599  -14.372 -9.871  1.000 34.124  0 511 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? 22.927  -11.850 -6.151  1.000 25.558  0 512 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? 7.027   -5.426  -19.046 1.000 31.354  0 513 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? 11.548  -26.181 -15.154 1.000 39.984  0 514 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? 7.223   -11.978 3.639   1.000 47.417  0 515 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? -0.154  -2.930  -21.326 1.000 51.579  0 516 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? 17.305  -25.795 -12.265 1.000 44.322  0 517 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? 3.355   -23.035 15.789  1.000 32.740  0 518 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? 2.095   -25.983 -21.627 1.000 23.622  0 519 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? -15.642 -18.463 3.158   1.000 40.456  0 520 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? -4.555  -10.329 5.582   1.000 50.222  0 521 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? 7.420   -24.506 5.936   1.000 38.819  0 522 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? -3.468  -21.150 9.871   1.000 18.304  0 523 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? -3.491  -12.249 4.304   1.000 44.487  0 524 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? 24.214  -23.531 0.486   1.000 53.993  0 525 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? 5.906   -29.383 -1.616  1.000 22.258  0 526 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? -0.386  -0.514  -8.353  1.000 91.021  0 527 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? 14.818  -8.139  -18.253 1.000 55.015  0 528 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? 20.059  -27.721 -0.484  1.000 39.561  0 529 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? -5.187  -16.545 18.742  1.000 24.892  0 530 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? 8.342   -19.823 10.328  1.000 34.122  0 531 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? 1.479   -17.541 -0.559  1.000 16.393  0 532 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? 6.554   -14.215 -1.579  1.000 85.536  0 533 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? 13.408  -23.385 -0.859  1.000 123.914 0 534 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? 16.851  -5.474  -8.419  1.000 40.581  0 535 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? 2.927   -32.650 4.863   1.000 37.492  0 536 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? 24.204  -11.446 -8.395  1.000 31.700  0 537 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? -3.753  -31.981 0.707   1.000 85.420  0 538 HOH A O   1 ? 
HETATM 1748 O O   . HOH C 3 .   ? -6.805  -30.306 7.119   1.000 26.207  0 539 HOH A O   1 ? 
HETATM 1749 O O   . HOH C 3 .   ? 16.928  -20.646 -21.407 1.000 23.447  0 540 HOH A O   1 ? 
HETATM 1750 O O   . HOH C 3 .   ? -5.597  -21.550 4.561   1.000 93.483  0 541 HOH A O   1 ? 
HETATM 1751 O O   . HOH C 3 .   ? 1.001   -33.660 -3.010  1.000 43.937  0 542 HOH A O   1 ? 
HETATM 1752 O O   . HOH C 3 .   ? -9.398  -14.702 -7.008  1.000 32.588  0 543 HOH A O   1 ? 
HETATM 1753 O O   . HOH C 3 .   ? -4.289  -26.322 -8.659  1.000 28.199  0 544 HOH A O   1 ? 
HETATM 1754 O O   . HOH C 3 .   ? 21.848  -22.008 6.508   1.000 46.122  0 545 HOH A O   1 ? 
HETATM 1755 O O   . HOH C 3 .   ? -15.583 -19.774 -0.964  1.000 53.275  0 546 HOH A O   1 ? 
HETATM 1756 O O   . HOH C 3 .   ? -11.920 -16.063 -15.509 1.000 43.755  0 547 HOH A O   1 ? 
HETATM 1757 O O   . HOH C 3 .   ? -0.825  -18.684 -23.790 1.000 26.907  0 548 HOH A O   1 ? 
HETATM 1758 O O   . HOH C 3 .   ? -7.194  -11.850 -5.923  1.000 25.098  0 549 HOH A O   1 ? 
HETATM 1759 O O   . HOH C 3 .   ? -0.709  -22.364 3.274   1.000 118.630 0 550 HOH A O   1 ? 
HETATM 1760 O O   . HOH C 3 .   ? 11.538  -29.066 3.439   1.000 57.273  0 551 HOH A O   1 ? 
HETATM 1761 O O   . HOH C 3 .   ? -1.809  -6.219  -11.470 1.000 19.628  0 552 HOH A O   1 ? 
HETATM 1762 O O   . HOH C 3 .   ? -1.773  -27.202 -9.447  1.000 35.381  0 553 HOH A O   1 ? 
HETATM 1763 O O   . HOH C 3 .   ? 10.517  -12.438 0.217   1.000 25.455  0 554 HOH A O   1 ? 
HETATM 1764 O O   . HOH C 3 .   ? 2.122   -2.088  -8.168  1.000 27.558  0 555 HOH A O   1 ? 
HETATM 1765 O O   . HOH C 3 .   ? -1.017  -7.905  -21.259 1.000 33.551  0 556 HOH A O   1 ? 
HETATM 1766 O O   . HOH C 3 .   ? 29.156  -13.021 -4.611  1.000 48.044  0 557 HOH A O   1 ? 
HETATM 1767 O O   . HOH C 3 .   ? 13.569  -16.552 1.510   1.000 30.230  0 558 HOH A O   1 ? 
HETATM 1768 O O   . HOH C 3 .   ? -12.620 -28.591 -3.600  1.000 37.675  0 559 HOH A O   1 ? 
HETATM 1769 O O   . HOH C 3 .   ? -2.478  -32.994 -6.619  1.000 36.331  0 560 HOH A O   1 ? 
HETATM 1770 O O   . HOH C 3 .   ? 2.138   -1.274  -16.418 1.000 49.566  0 561 HOH A O   1 ? 
HETATM 1771 O O   . HOH C 3 .   ? 10.289  -1.281  -13.403 1.000 53.459  0 562 HOH A O   1 ? 
HETATM 1772 O O   . HOH C 3 .   ? 29.140  -17.190 -2.981  1.000 46.199  0 563 HOH A O   1 ? 
HETATM 1773 O O   . HOH C 3 .   ? -1.336  1.348   -8.433  1.000 45.721  0 564 HOH A O   1 ? 
HETATM 1774 O O   . HOH C 3 .   ? 13.280  -13.425 -27.142 1.000 51.483  0 565 HOH A O   1 ? 
HETATM 1775 O O   . HOH C 3 .   ? 4.857   -30.488 -5.241  1.000 32.699  0 566 HOH A O   1 ? 
HETATM 1776 O O   . HOH C 3 .   ? 9.651   0.470   -8.775  1.000 34.111  0 567 HOH A O   1 ? 
HETATM 1777 O O   . HOH C 3 .   ? 19.336  -25.529 2.828   1.000 44.207  0 568 HOH A O   1 ? 
HETATM 1778 O O   . HOH C 3 .   ? -1.976  -20.211 12.133  1.000 19.031  0 569 HOH A O   1 ? 
HETATM 1779 O O   . HOH C 3 .   ? -1.897  -14.314 5.039   1.000 28.940  0 570 HOH A O   1 ? 
HETATM 1780 O O   . HOH C 3 .   ? -11.157 -21.402 -6.911  1.000 40.593  0 571 HOH A O   1 ? 
HETATM 1781 O O   . HOH C 3 .   ? -4.375  -23.320 15.983  1.000 20.029  0 572 HOH A O   1 ? 
HETATM 1782 O O   . HOH C 3 .   ? -12.764 -17.820 0.282   1.000 29.953  0 573 HOH A O   1 ? 
HETATM 1783 O O   . HOH C 3 .   ? -4.922  1.425   -9.603  1.000 57.435  0 574 HOH A O   1 ? 
HETATM 1784 O O   . HOH C 3 .   ? -14.044 -25.549 6.825   1.000 41.858  0 575 HOH A O   1 ? 
HETATM 1785 O O   . HOH C 3 .   ? 26.837  -11.152 1.405   1.000 26.112  0 576 HOH A O   1 ? 
HETATM 1786 O O   . HOH C 3 .   ? 14.191  -4.031  -17.516 1.000 51.716  0 577 HOH A O   1 ? 
HETATM 1787 O O   . HOH C 3 .   ? -1.587  -18.199 6.173   1.000 29.580  0 578 HOH A O   1 ? 
HETATM 1788 O O   . HOH C 3 .   ? 9.831   -7.260  1.225   1.000 47.836  0 579 HOH A O   1 ? 
HETATM 1789 O O   . HOH C 3 .   ? -9.898  -30.272 1.272   1.000 36.642  0 580 HOH A O   1 ? 
HETATM 1790 O O   . HOH C 3 .   ? 21.690  -7.734  4.938   1.000 53.056  0 581 HOH A O   1 ? 
HETATM 1791 O O   . HOH C 3 .   ? 9.161   -30.101 4.482   1.000 52.979  0 582 HOH A O   1 ? 
HETATM 1792 O O   . HOH C 3 .   ? 3.006   -10.677 -3.978  1.000 24.467  0 583 HOH A O   1 ? 
HETATM 1793 O O   . HOH C 3 .   ? 13.781  -11.924 -21.257 1.000 35.111  0 584 HOH A O   1 ? 
HETATM 1794 O O   . HOH C 3 .   ? 11.119  -9.235  -21.900 1.000 38.598  0 585 HOH A O   1 ? 
HETATM 1795 O O   . HOH C 3 .   ? -0.745  -31.628 7.181   1.000 32.378  0 586 HOH A O   1 ? 
HETATM 1796 O O   . HOH C 3 .   ? 6.088   -32.395 -9.182  1.000 54.646  0 587 HOH A O   1 ? 
HETATM 1797 O O   . HOH C 3 .   ? 24.755  -13.098 -7.999  1.000 82.111  0 588 HOH A O   1 ? 
HETATM 1798 O O   . HOH C 3 .   ? -10.143 -6.207  7.863   1.000 21.683  0 589 HOH A O   1 ? 
HETATM 1799 O O   . HOH C 3 .   ? 3.760   -7.825  -21.263 1.000 26.093  0 590 HOH A O   1 ? 
HETATM 1800 O O   . HOH C 3 .   ? 12.802  -13.627 1.681   1.000 33.245  0 591 HOH A O   1 ? 
HETATM 1801 O O   . HOH C 3 .   ? 26.627  -10.891 -7.649  1.000 44.606  0 592 HOH A O   1 ? 
HETATM 1802 O O   . HOH C 3 .   ? -12.977 -28.522 -7.362  1.000 51.697  0 593 HOH A O   1 ? 
HETATM 1803 O O   . HOH C 3 .   ? 2.250   -25.554 2.252   1.000 17.433  0 594 HOH A O   1 ? 
HETATM 1804 O O   . HOH C 3 .   ? 9.182   -9.153  1.637   1.000 42.608  0 595 HOH A O   1 ? 
HETATM 1805 O O   . HOH C 3 .   ? 2.389   -0.073  -21.233 1.000 68.230  0 596 HOH A O   1 ? 
HETATM 1806 O O   . HOH C 3 .   ? 10.910  -31.405 -7.702  1.000 68.957  0 597 HOH A O   1 ? 
HETATM 1807 O O   . HOH C 3 .   ? 28.807  -22.332 -0.012  1.000 65.015  0 598 HOH A O   1 ? 
HETATM 1808 O O   . HOH C 3 .   ? -1.517  -25.934 -17.384 1.000 27.100  0 599 HOH A O   1 ? 
HETATM 1809 O O   . HOH C 3 .   ? 14.617  -15.500 -26.263 1.000 33.527  0 600 HOH A O   1 ? 
HETATM 1810 O O   . HOH C 3 .   ? -6.996  -3.210  -10.398 1.000 43.148  0 601 HOH A O   1 ? 
HETATM 1811 O O   . HOH C 3 .   ? 4.362   -29.037 -2.728  1.000 82.548  0 602 HOH A O   1 ? 
HETATM 1812 O O   . HOH C 3 .   ? 10.840  -28.147 7.375   1.000 72.890  0 603 HOH A O   1 ? 
HETATM 1813 O O   . HOH C 3 .   ? 27.990  -17.676 4.922   1.000 65.162  0 604 HOH A O   1 ? 
HETATM 1814 O O   . HOH C 3 .   ? 24.052  -28.798 -3.792  1.000 59.037  0 605 HOH A O   1 ? 
HETATM 1815 O O   . HOH C 3 .   ? 23.873  -14.160 -15.833 1.000 51.387  0 606 HOH A O   1 ? 
HETATM 1816 O O   . HOH C 3 .   ? 3.529   -4.148  -1.138  1.000 32.465  0 607 HOH A O   1 ? 
HETATM 1817 O O   . HOH C 3 .   ? 19.001  -18.004 -14.277 1.000 29.284  0 608 HOH A O   1 ? 
HETATM 1818 O O   . HOH C 3 .   ? -4.278  -21.118 5.632   1.000 20.361  0 609 HOH A O   1 ? 
HETATM 1819 O O   . HOH C 3 .   ? 23.986  0.057   -6.139  1.000 57.994  0 610 HOH A O   1 ? 
HETATM 1820 O O   . HOH C 3 .   ? -9.742  -10.296 14.634  1.000 29.422  0 611 HOH A O   1 ? 
HETATM 1821 O O   . HOH C 3 .   ? -1.470  -10.372 -25.792 1.000 52.953  0 612 HOH A O   1 ? 
HETATM 1822 O O   . HOH C 3 .   ? -4.045  -23.991 -10.443 1.000 36.018  0 613 HOH A O   1 ? 
HETATM 1823 O O   . HOH C 3 .   ? -4.968  -31.982 5.836   1.000 33.324  0 614 HOH A O   1 ? 
HETATM 1824 O O   . HOH C 3 .   ? 2.377   -0.746  -15.243 1.000 31.105  0 615 HOH A O   1 ? 
HETATM 1825 O O   . HOH C 3 .   ? 2.277   -28.294 -12.664 1.000 30.483  0 616 HOH A O   1 ? 
HETATM 1826 O O   . HOH C 3 .   ? -4.800  -18.039 -21.577 1.000 32.525  0 617 HOH A O   1 ? 
HETATM 1827 O O   . HOH C 3 .   ? 16.671  -4.955  -0.527  1.000 37.834  0 618 HOH A O   1 ? 
HETATM 1828 O O   . HOH C 3 .   ? 27.281  -12.950 -1.079  1.000 39.483  0 619 HOH A O   1 ? 
HETATM 1829 O O   . HOH C 3 .   ? -14.552 -25.412 4.058   1.000 31.052  0 620 HOH A O   1 ? 
HETATM 1830 O O   . HOH C 3 .   ? -3.304  -10.771 -23.483 1.000 48.796  0 621 HOH A O   1 ? 
HETATM 1831 O O   . HOH C 3 .   ? -11.288 -14.201 -2.642  1.000 43.741  0 622 HOH A O   1 ? 
HETATM 1832 O O   . HOH C 3 .   ? 18.293  -27.436 -9.660  1.000 54.798  0 623 HOH A O   1 ? 
HETATM 1833 O O   . HOH C 3 .   ? 7.531   3.138   -1.105  1.000 58.366  0 624 HOH A O   1 ? 
HETATM 1834 O O   . HOH C 3 .   ? 27.065  -18.349 -9.161  1.000 55.206  0 625 HOH A O   1 ? 
HETATM 1835 O O   . HOH C 3 .   ? 2.930   2.653   -3.603  1.000 68.116  0 626 HOH A O   1 ? 
HETATM 1836 O O   . HOH C 3 .   ? 10.408  -15.578 3.412   1.000 51.779  0 627 HOH A O   1 ? 
HETATM 1837 O O   . HOH C 3 .   ? -2.597  -6.981  -1.503  1.000 72.539  0 628 HOH A O   1 ? 
HETATM 1838 O O   . HOH C 3 .   ? -12.022 -16.918 -13.187 1.000 60.302  0 629 HOH A O   1 ? 
HETATM 1839 O O   . HOH C 3 .   ? 14.260  -17.864 2.446   1.000 78.536  0 630 HOH A O   1 ? 
HETATM 1840 O O   . HOH C 3 .   ? -9.561  -13.054 -5.441  1.000 59.315  0 631 HOH A O   1 ? 
HETATM 1841 O O   . HOH C 3 .   ? -11.562 -10.077 0.237   1.000 50.176  0 632 HOH A O   1 ? 
HETATM 1842 O O   . HOH C 3 .   ? -11.843 -25.317 10.222  1.000 24.526  0 633 HOH A O   1 ? 
HETATM 1843 O O   . HOH C 3 .   ? 7.243   5.363   -2.724  1.000 63.258  0 634 HOH A O   1 ? 
HETATM 1844 O O   . HOH C 3 .   ? -9.102  -27.677 5.699   1.000 34.844  0 635 HOH A O   1 ? 
HETATM 1845 O O   . HOH C 3 .   ? -3.024  -15.347 20.290  1.000 48.969  0 636 HOH A O   1 ? 
HETATM 1846 O O   . HOH C 3 .   ? -5.631  -35.402 -1.874  1.000 54.946  0 637 HOH A O   1 ? 
HETATM 1847 O O   . HOH C 3 .   ? -3.128  -15.211 18.433  1.000 86.563  0 638 HOH A O   1 ? 
HETATM 1848 O O   . HOH C 3 .   ? 9.485   -10.740 3.034   1.000 64.718  0 639 HOH A O   1 ? 
HETATM 1849 O O   . HOH C 3 .   ? 8.671   -3.785  1.560   1.000 64.937  0 640 HOH A O   1 ? 
HETATM 1850 O O   . HOH C 3 .   ? 0.563   -27.503 -18.221 1.000 63.979  0 641 HOH A O   1 ? 
HETATM 1851 O O   . HOH C 3 .   ? -4.008  1.145   -12.017 1.000 59.556  0 642 HOH A O   1 ? 
HETATM 1852 O O   . HOH C 3 .   ? 6.866   -11.923 -26.224 1.000 47.401  0 643 HOH A O   1 ? 
HETATM 1853 O O   . HOH C 3 .   ? -6.467  -18.428 -16.405 1.000 37.659  0 644 HOH A O   1 ? 
HETATM 1854 O O   . HOH C 3 .   ? -1.765  -3.079  -24.405 1.000 81.076  0 645 HOH A O   1 ? 
HETATM 1855 O O   . HOH C 3 .   ? 16.705  -3.388  -2.547  1.000 76.952  0 646 HOH A O   1 ? 
HETATM 1856 O O   . HOH C 3 .   ? 28.070  -15.484 -9.450  1.000 68.246  0 647 HOH A O   1 ? 
HETATM 1857 O O   . HOH C 3 .   ? -9.535  -20.175 8.254   1.000 88.969  0 648 HOH A O   1 ? 
HETATM 1858 O O   . HOH C 3 .   ? 0.578   -30.044 12.345  1.000 50.657  0 649 HOH A O   1 ? 
HETATM 1859 O O   . HOH C 3 .   ? -14.406 -28.910 1.256   1.000 48.511  0 650 HOH A O   1 ? 
HETATM 1860 O O   . HOH C 3 .   ? -6.061  -33.690 -2.317  1.000 100.028 0 651 HOH A O   1 ? 
HETATM 1861 O O   . HOH C 3 .   ? -2.112  -9.384  1.544   1.000 51.957  0 652 HOH A O   1 ? 
HETATM 1862 O O   . HOH C 3 .   ? 14.488  -25.351 -13.312 1.000 32.516  0 653 HOH A O   1 ? 
HETATM 1863 O O   . HOH C 3 .   ? 18.175  -12.736 4.884   1.000 74.270  0 654 HOH A O   1 ? 
HETATM 1864 O O   . HOH C 3 .   ? 13.364  -28.734 -11.053 1.000 56.503  0 655 HOH A O   1 ? 
HETATM 1865 O O   . HOH C 3 .   ? 22.141  -7.097  -17.640 1.000 55.059  0 656 HOH A O   1 ? 
HETATM 1866 O O   . HOH C 3 .   ? -4.818  -28.483 -11.994 1.000 70.187  0 657 HOH A O   1 ? 
HETATM 1867 O O   . HOH C 3 .   ? 7.747   -31.163 -4.120  1.000 43.456  0 658 HOH A O   1 ? 
HETATM 1868 O O   . HOH C 3 .   ? 14.789  -9.664  6.867   1.000 70.470  0 659 HOH A O   1 ? 
HETATM 1869 O O   . HOH C 3 .   ? 5.070   -9.715  -23.465 1.000 46.759  0 660 HOH A O   1 ? 
HETATM 1870 O O   . HOH C 3 .   ? -12.978 -11.203 -1.510  1.000 42.769  0 661 HOH A O   1 ? 
HETATM 1871 O O   . HOH C 3 .   ? -1.189  -24.774 -16.161 1.000 75.822  0 662 HOH A O   1 ? 
HETATM 1872 O O   . HOH C 3 .   ? -4.752  -33.394 -6.276  1.000 70.803  0 663 HOH A O   1 ? 
HETATM 1873 O O   . HOH C 3 .   ? 27.303  -27.372 -2.371  1.000 65.507  0 664 HOH A O   1 ? 
HETATM 1874 O O   . HOH C 3 .   ? 0.386   -32.012 -15.058 1.000 59.584  0 665 HOH A O   1 ? 
HETATM 1875 O O   . HOH C 3 .   ? 5.468   -5.656  -21.270 1.000 44.466  0 666 HOH A O   1 ? 
HETATM 1876 O O   . HOH C 3 .   ? -2.120  -30.033 -10.492 1.000 80.029  0 667 HOH A O   1 ? 
HETATM 1877 O O   . HOH C 3 .   ? 2.732   -33.610 -17.446 1.000 62.005  0 668 HOH A O   1 ? 
HETATM 1878 O O   . HOH C 3 .   ? -6.093  -15.699 -19.599 1.000 40.882  0 669 HOH A O   1 ? 
HETATM 1879 O O   . HOH C 3 .   ? -4.565  -34.891 -4.266  1.000 65.176  0 670 HOH A O   1 ? 
HETATM 1880 O O   . HOH C 3 .   ? 2.626   -32.826 -6.077  1.000 49.988  0 671 HOH A O   1 ? 
HETATM 1881 O O   . HOH C 3 .   ? 25.416  -3.859  -7.465  1.000 50.881  0 672 HOH A O   1 ? 
HETATM 1882 O O   . HOH C 3 .   ? 2.652   -33.775 -14.768 1.000 92.061  0 673 HOH A O   1 ? 
HETATM 1883 O O   . HOH C 3 .   ? -14.808 -26.418 -8.457  1.000 57.447  0 674 HOH A O   1 ? 
HETATM 1884 O O   . HOH C 3 .   ? 9.807   -6.393  -19.929 1.000 51.348  0 675 HOH A O   1 ? 
HETATM 1885 O O   . HOH C 3 .   ? 1.218   -34.366 -12.769 1.000 65.456  0 676 HOH A O   1 ? 
HETATM 1886 O O   . HOH C 3 .   ? 5.006   -16.203 13.545  1.000 79.156  0 677 HOH A O   1 ? 
HETATM 1887 O O   . HOH C 3 .   ? 21.755  -29.642 -1.405  1.000 58.357  0 678 HOH A O   1 ? 
HETATM 1888 O O   . HOH C 3 .   ? 3.778   -13.171 2.672   1.000 46.438  0 679 HOH A O   1 ? 
HETATM 1889 O O   . HOH C 3 .   ? -0.469  -14.401 7.468   1.000 45.358  0 680 HOH A O   1 ? 
HETATM 1890 O O   . HOH C 3 .   ? 17.386  -1.222  -3.398  1.000 63.592  0 681 HOH A O   1 ? 
HETATM 1891 O O   . HOH C 3 .   ? 18.462  -3.398  -2.066  1.000 56.368  0 682 HOH A O   1 ? 
HETATM 1892 O O   . HOH C 3 .   ? 4.952   1.164   -17.777 1.000 78.718  0 683 HOH A O   1 ? 
HETATM 1893 O O   . HOH C 3 .   ? 16.425  -3.670  -6.472  1.000 54.725  0 684 HOH A O   1 ? 
HETATM 1894 O O   . HOH C 3 .   ? 22.079  -9.183  -19.429 1.000 62.914  0 685 HOH A O   1 ? 
HETATM 1895 O O   . HOH C 3 .   ? 19.772  -31.374 -0.905  1.000 77.414  0 686 HOH A O   1 ? 
HETATM 1896 O O   . HOH C 3 .   ? 4.528   -33.895 -2.173  1.000 61.437  0 687 HOH A O   1 ? 
HETATM 1897 O O   . HOH C 3 .   ? 0.011   -33.570 -6.300  1.000 83.387  0 688 HOH A O   1 ? 
HETATM 1898 O O   . HOH C 3 .   ? 29.998  -15.893 -6.798  1.000 61.479  0 689 HOH A O   1 ? 
HETATM 1899 O O   . HOH C 3 .   ? -16.157 -23.581 -6.911  1.000 57.845  0 690 HOH A O   1 ? 
HETATM 1900 O O   . HOH C 3 .   ? 5.856   -22.809 16.874  1.000 57.642  0 691 HOH A O   1 ? 
HETATM 1901 O O   . HOH C 3 .   ? 1.219   0.256   -7.101  1.000 38.926  0 692 HOH A O   1 ? 
HETATM 1902 O O   . HOH C 3 .   ? 16.612  -0.927  -5.916  1.000 78.038  0 693 HOH A O   1 ? 
HETATM 1903 O O   . HOH C 3 .   ? -17.458 -18.750 -7.283  1.000 57.073  0 694 HOH A O   1 ? 
HETATM 1904 O O   . HOH C 3 .   ? -15.858 -20.779 -6.546  1.000 58.408  0 695 HOH A O   1 ? 
HETATM 1905 O O   . HOH C 3 .   ? 16.111  -26.654 7.969   1.000 64.373  0 696 HOH A O   1 ? 
HETATM 1906 O O   . HOH C 3 .   ? 2.641   -10.797 -0.532  1.000 46.161  0 697 HOH A O   1 ? 
HETATM 1907 O O   . HOH C 3 .   ? 3.317   -11.131 1.767   1.000 58.017  0 698 HOH A O   1 ? 
HETATM 1908 O O   . HOH C 3 .   ? 28.308  -28.868 -4.889  1.000 65.534  0 699 HOH A O   1 ? 
HETATM 1909 O O   . HOH C 3 .   ? 27.051  -27.527 0.624   1.000 55.519  0 700 HOH A O   1 ? 
HETATM 1910 O O   . HOH C 3 .   ? -3.052  -35.928 -2.712  1.000 52.532  0 701 HOH A O   1 ? 
HETATM 1911 O O   . HOH C 3 .   ? 14.506  -15.932 4.362   1.000 49.541  0 702 HOH A O   1 ? 
HETATM 1912 O O   . HOH C 3 .   ? 4.716   0.839   -22.864 1.000 59.079  0 703 HOH A O   1 ? 
HETATM 1913 O O   . HOH C 3 .   ? -17.109 -26.573 4.191   1.000 59.517  0 704 HOH A O   1 ? 
HETATM 1914 O O   . HOH C 3 .   ? -6.601  -24.100 -11.241 1.000 52.166  0 705 HOH A O   1 ? 
HETATM 1915 O O   . HOH C 3 .   ? 14.408  0.199   -6.282  1.000 74.857  0 706 HOH A O   1 ? 
HETATM 1916 O O   . HOH C 3 .   ? 1.417   -28.579 10.097  1.000 36.263  0 707 HOH A O   1 ? 
HETATM 1917 O O   . HOH C 3 .   ? -1.786  -34.173 -4.361  1.000 57.606  0 708 HOH A O   1 ? 
HETATM 1918 O O   . HOH C 3 .   ? -1.362  -30.916 -13.373 1.000 66.221  0 709 HOH A O   1 ? 
HETATM 1919 O O   . HOH C 3 .   ? 0.932   -31.060 8.864   1.000 44.884  0 710 HOH A O   1 ? 
HETATM 1920 O O   . HOH C 3 .   ? 3.909   -35.879 -0.560  1.000 60.451  0 711 HOH A O   1 ? 
HETATM 1921 O O   . HOH C 3 .   ? 17.803  0.602   -7.892  1.000 57.346  0 712 HOH A O   1 ? 
HETATM 1922 O O   . HOH C 3 .   ? 30.503  -17.709 6.589   1.000 71.955  0 713 HOH A O   1 ? 
HETATM 1923 O O   . HOH C 3 .   ? -2.218  -27.890 -11.921 1.000 67.299  0 714 HOH A O   1 ? 
HETATM 1924 O O   . HOH C 3 .   ? 16.831  -6.948  -20.451 1.000 58.188  0 715 HOH A O   1 ? 
HETATM 1925 O O   . HOH C 3 .   ? -0.367  -27.710 -13.609 1.000 51.563  0 716 HOH A O   1 ? 
HETATM 1926 O O   . HOH C 3 .   ? 2.486   -37.949 2.248   1.000 67.476  0 717 HOH A O   1 ? 
HETATM 1927 O O   . HOH C 3 .   ? 15.961  -4.067  -20.293 1.000 64.187  0 718 HOH A O   1 ? 
HETATM 1928 O O   . HOH C 3 .   ? 27.913  -26.616 3.511   1.000 67.599  0 719 HOH A O   1 ? 
HETATM 1929 O O   . HOH C 3 .   ? 25.393  -29.957 1.392   1.000 64.292  0 720 HOH A O   1 ? 
HETATM 1930 O O   . HOH C 3 .   ? 3.379   -36.092 -16.964 1.000 76.335  0 721 HOH A O   1 ? 
HETATM 1931 O O   . HOH C 3 .   ? 11.908  -4.985  -23.699 1.000 61.631  0 722 HOH A O   1 ? 
HETATM 1932 O O   . HOH C 3 .   ? 3.277   -38.440 -0.459  1.000 68.021  0 723 HOH A O   1 ? 
HETATM 1933 O O   . HOH C 3 .   ? 12.684  -2.727  -24.249 1.000 68.538  0 724 HOH A O   1 ? 
HETATM 1934 O O   . HOH C 3 .   ? 29.618  -28.882 -0.000  0.500 59.149  0 725 HOH A O   1 ? 
HETATM 1935 O O   . HOH C 3 .   ? -17.305 -27.775 -9.748  1.000 67.858  0 726 HOH A O   1 ? 
HETATM 1936 O O   . HOH C 3 .   ? 1.043   -36.980 -16.062 1.000 60.023  0 727 HOH A O   1 ? 
HETATM 1937 O O   . HOH C 3 .   ? 17.435  2.942   -8.568  1.000 63.453  0 728 HOH A O   1 ? 
HETATM 1938 O O   . HOH C 3 .   ? -18.987 -25.554 -9.380  1.000 64.744  0 729 HOH A O   1 ? 
HETATM 1939 O O   . HOH C 3 .   ? 14.786  -1.923  -22.535 1.000 63.264  0 730 HOH A O   1 ? 
HETATM 1940 O O   . HOH C 3 .   ? 16.775  4.082   -10.962 1.000 70.483  0 731 HOH A O   1 ? 
HETATM 1941 O O   . HOH C 3 .   ? 0.573   -39.972 -16.195 1.000 57.563  0 732 HOH A O   1 ? 
# 
