data_9GRR
# 
_entry.id   9GRR 
# 
_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   9GRR         pdb_00009grr 10.2210/pdb9grr/pdb 
WWPDB D_1292141725 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-05-14 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GRR 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-12 
_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           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              mark.montgomery@syngenta.com 
_pdbx_contact_author.name_first         Mark 
_pdbx_contact_author.name_last          Montgomery 
_pdbx_contact_author.name_mi            G 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-9174-8281 
# 
_audit_author.name               'Montgomery, M.G.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Scaffold-hopping, Bioisosterism and Structure-Based Design in the Development of Novel Acyl-ACP Thioesterase (Fat) Inhibitors as Potential Herbicides
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Croft, R.'        1 ? 
primary 'Montgomery, M.G.' 2 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Oleoyl-acyl carrier protein thioesterase 1, chloroplastic'                                         33615.598 1 
3.1.2.14 ? ? ? 
2 non-polymer syn '(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane' 274.398   1 
?        ? ? ? 
3 non-polymer syn 'SULFATE ION'                                                                                       96.063    2 
?        ? ? ? 
4 non-polymer syn GLYCEROL                                                                                            92.094    1 
?        ? ? ? 
5 water       nat water                                                                                               18.015    
159 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '18:0-acyl-carrier protein thioesterase,18:0-ACP thioesterase,Acyl-[acyl-carrier-protein] hydrolase' 
# 
_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       
;MGSLTEDGLSYKEKFVVRSYEVGSNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRKLHLIWVTARMHIEIYKY
PAWGDVVEIETWCQSEGRIGTRRDWILKDSVTGEVTGRATSKWVMMNQDTRRLQKVSDDVRDEYLVFCPQEPRLAFPEEN
NRSLKKIPKLEDPAQYSMIGLKPRRADLDMNQHVNNVTYIGWVLESIPQEIVDTHELQVITLDYRRECQQDDVVDSLTTT
TSEIGGTNGSATSGTQGHNDSQFLHLLRLSGDGQEINRGTTLWRKKPSSHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGSLTEDGLSYKEKFVVRSYEVGSNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRKLHLIWVTARMHIEIYKY
PAWGDVVEIETWCQSEGRIGTRRDWILKDSVTGEVTGRATSKWVMMNQDTRRLQKVSDDVRDEYLVFCPQEPRLAFPEEN
NRSLKKIPKLEDPAQYSMIGLKPRRADLDMNQHVNNVTYIGWVLESIPQEIVDTHELQVITLDYRRECQQDDVVDSLTTT
TSEIGGTNGSATSGTQGHNDSQFLHLLRLSGDGQEINRGTTLWRKKPSSHHHHHH
;
_entity_poly.pdbx_strand_id                 AaA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane' A1IOW 
3 'SULFATE ION'                                                                                       SO4   
4 GLYCEROL                                                                                            GOL   
5 water                                                                                               HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLY n 
1 3   SER n 
1 4   LEU n 
1 5   THR n 
1 6   GLU n 
1 7   ASP n 
1 8   GLY n 
1 9   LEU n 
1 10  SER n 
1 11  TYR n 
1 12  LYS n 
1 13  GLU n 
1 14  LYS n 
1 15  PHE n 
1 16  VAL n 
1 17  VAL n 
1 18  ARG n 
1 19  SER n 
1 20  TYR n 
1 21  GLU n 
1 22  VAL n 
1 23  GLY n 
1 24  SER n 
1 25  ASN n 
1 26  LYS n 
1 27  THR n 
1 28  ALA n 
1 29  THR n 
1 30  VAL n 
1 31  GLU n 
1 32  THR n 
1 33  ILE n 
1 34  ALA n 
1 35  ASN n 
1 36  LEU n 
1 37  LEU n 
1 38  GLN n 
1 39  GLU n 
1 40  VAL n 
1 41  GLY n 
1 42  CYS n 
1 43  ASN n 
1 44  HIS n 
1 45  ALA n 
1 46  GLN n 
1 47  SER n 
1 48  VAL n 
1 49  GLY n 
1 50  PHE n 
1 51  SER n 
1 52  THR n 
1 53  ASP n 
1 54  GLY n 
1 55  PHE n 
1 56  ALA n 
1 57  THR n 
1 58  THR n 
1 59  THR n 
1 60  THR n 
1 61  MET n 
1 62  ARG n 
1 63  LYS n 
1 64  LEU n 
1 65  HIS n 
1 66  LEU n 
1 67  ILE n 
1 68  TRP n 
1 69  VAL n 
1 70  THR n 
1 71  ALA n 
1 72  ARG n 
1 73  MET n 
1 74  HIS n 
1 75  ILE n 
1 76  GLU n 
1 77  ILE n 
1 78  TYR n 
1 79  LYS n 
1 80  TYR n 
1 81  PRO n 
1 82  ALA n 
1 83  TRP n 
1 84  GLY n 
1 85  ASP n 
1 86  VAL n 
1 87  VAL n 
1 88  GLU n 
1 89  ILE n 
1 90  GLU n 
1 91  THR n 
1 92  TRP n 
1 93  CYS n 
1 94  GLN n 
1 95  SER n 
1 96  GLU n 
1 97  GLY n 
1 98  ARG n 
1 99  ILE n 
1 100 GLY n 
1 101 THR n 
1 102 ARG n 
1 103 ARG n 
1 104 ASP n 
1 105 TRP n 
1 106 ILE n 
1 107 LEU n 
1 108 LYS n 
1 109 ASP n 
1 110 SER n 
1 111 VAL n 
1 112 THR n 
1 113 GLY n 
1 114 GLU n 
1 115 VAL n 
1 116 THR n 
1 117 GLY n 
1 118 ARG n 
1 119 ALA n 
1 120 THR n 
1 121 SER n 
1 122 LYS n 
1 123 TRP n 
1 124 VAL n 
1 125 MET n 
1 126 MET n 
1 127 ASN n 
1 128 GLN n 
1 129 ASP n 
1 130 THR n 
1 131 ARG n 
1 132 ARG n 
1 133 LEU n 
1 134 GLN n 
1 135 LYS n 
1 136 VAL n 
1 137 SER n 
1 138 ASP n 
1 139 ASP n 
1 140 VAL n 
1 141 ARG n 
1 142 ASP n 
1 143 GLU n 
1 144 TYR n 
1 145 LEU n 
1 146 VAL n 
1 147 PHE n 
1 148 CYS n 
1 149 PRO n 
1 150 GLN n 
1 151 GLU n 
1 152 PRO n 
1 153 ARG n 
1 154 LEU n 
1 155 ALA n 
1 156 PHE n 
1 157 PRO n 
1 158 GLU n 
1 159 GLU n 
1 160 ASN n 
1 161 ASN n 
1 162 ARG n 
1 163 SER n 
1 164 LEU n 
1 165 LYS n 
1 166 LYS n 
1 167 ILE n 
1 168 PRO n 
1 169 LYS n 
1 170 LEU n 
1 171 GLU n 
1 172 ASP n 
1 173 PRO n 
1 174 ALA n 
1 175 GLN n 
1 176 TYR n 
1 177 SER n 
1 178 MET n 
1 179 ILE n 
1 180 GLY n 
1 181 LEU n 
1 182 LYS n 
1 183 PRO n 
1 184 ARG n 
1 185 ARG n 
1 186 ALA n 
1 187 ASP n 
1 188 LEU n 
1 189 ASP n 
1 190 MET n 
1 191 ASN n 
1 192 GLN n 
1 193 HIS n 
1 194 VAL n 
1 195 ASN n 
1 196 ASN n 
1 197 VAL n 
1 198 THR n 
1 199 TYR n 
1 200 ILE n 
1 201 GLY n 
1 202 TRP n 
1 203 VAL n 
1 204 LEU n 
1 205 GLU n 
1 206 SER n 
1 207 ILE n 
1 208 PRO n 
1 209 GLN n 
1 210 GLU n 
1 211 ILE n 
1 212 VAL n 
1 213 ASP n 
1 214 THR n 
1 215 HIS n 
1 216 GLU n 
1 217 LEU n 
1 218 GLN n 
1 219 VAL n 
1 220 ILE n 
1 221 THR n 
1 222 LEU n 
1 223 ASP n 
1 224 TYR n 
1 225 ARG n 
1 226 ARG n 
1 227 GLU n 
1 228 CYS n 
1 229 GLN n 
1 230 GLN n 
1 231 ASP n 
1 232 ASP n 
1 233 VAL n 
1 234 VAL n 
1 235 ASP n 
1 236 SER n 
1 237 LEU n 
1 238 THR n 
1 239 THR n 
1 240 THR n 
1 241 THR n 
1 242 SER n 
1 243 GLU n 
1 244 ILE n 
1 245 GLY n 
1 246 GLY n 
1 247 THR n 
1 248 ASN n 
1 249 GLY n 
1 250 SER n 
1 251 ALA n 
1 252 THR n 
1 253 SER n 
1 254 GLY n 
1 255 THR n 
1 256 GLN n 
1 257 GLY n 
1 258 HIS n 
1 259 ASN n 
1 260 ASP n 
1 261 SER n 
1 262 GLN n 
1 263 PHE n 
1 264 LEU n 
1 265 HIS n 
1 266 LEU n 
1 267 LEU n 
1 268 ARG n 
1 269 LEU n 
1 270 SER n 
1 271 GLY n 
1 272 ASP n 
1 273 GLY n 
1 274 GLN n 
1 275 GLU n 
1 276 ILE n 
1 277 ASN n 
1 278 ARG n 
1 279 GLY n 
1 280 THR n 
1 281 THR n 
1 282 LEU n 
1 283 TRP n 
1 284 ARG n 
1 285 LYS n 
1 286 LYS n 
1 287 PRO n 
1 288 SER n 
1 289 SER n 
1 290 HIS n 
1 291 HIS n 
1 292 HIS n 
1 293 HIS n 
1 294 HIS n 
1 295 HIS n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   295 
_entity_src_gen.gene_src_common_name               'thale cress' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FATA, FATA1, At3g25110, MJL12.5' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Arabidopsis thaliana' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3702 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IOW non-polymer         . '(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane' ? 
'C18 H26 O2'     274.398 
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  
GOL   non-polymer         . GLYCEROL                                                                                            
'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS   'L-peptide linking' y HISTIDINE                                                                                           ? 
'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                                                               ? 
'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                                                          ? 
'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                                                                             ? 
'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                                                              ? 
'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                                                                          ? 
'C5 H11 N O2 S'  149.211 
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 
SO4   non-polymer         . 'SULFATE ION'                                                                                       ? 
'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                                                                           ? 
'C4 H9 N O3'     119.119 
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   MET 1   74  ?   ?   ?   AaA . n 
A 1 2   GLY 2   75  75  GLY GLY AaA . n 
A 1 3   SER 3   76  76  SER SER AaA . n 
A 1 4   LEU 4   77  77  LEU LEU AaA . n 
A 1 5   THR 5   78  78  THR THR AaA . n 
A 1 6   GLU 6   79  79  GLU GLU AaA . n 
A 1 7   ASP 7   80  80  ASP ASP AaA . n 
A 1 8   GLY 8   81  81  GLY GLY AaA . n 
A 1 9   LEU 9   82  82  LEU LEU AaA . n 
A 1 10  SER 10  83  83  SER SER AaA . n 
A 1 11  TYR 11  84  84  TYR TYR AaA . n 
A 1 12  LYS 12  85  85  LYS LYS AaA . n 
A 1 13  GLU 13  86  86  GLU GLU AaA . n 
A 1 14  LYS 14  87  87  LYS LYS AaA . n 
A 1 15  PHE 15  88  88  PHE PHE AaA . n 
A 1 16  VAL 16  89  89  VAL VAL AaA . n 
A 1 17  VAL 17  90  90  VAL VAL AaA . n 
A 1 18  ARG 18  91  91  ARG ARG AaA . n 
A 1 19  SER 19  92  92  SER SER AaA . n 
A 1 20  TYR 20  93  93  TYR TYR AaA . n 
A 1 21  GLU 21  94  94  GLU GLU AaA . n 
A 1 22  VAL 22  95  95  VAL VAL AaA . n 
A 1 23  GLY 23  96  96  GLY GLY AaA . n 
A 1 24  SER 24  97  97  SER SER AaA . n 
A 1 25  ASN 25  98  98  ASN ASN AaA . n 
A 1 26  LYS 26  99  99  LYS LYS AaA . n 
A 1 27  THR 27  100 100 THR THR AaA . n 
A 1 28  ALA 28  101 101 ALA ALA AaA . n 
A 1 29  THR 29  102 102 THR THR AaA . n 
A 1 30  VAL 30  103 103 VAL VAL AaA . n 
A 1 31  GLU 31  104 104 GLU GLU AaA . n 
A 1 32  THR 32  105 105 THR THR AaA . n 
A 1 33  ILE 33  106 106 ILE ILE AaA . n 
A 1 34  ALA 34  107 107 ALA ALA AaA . n 
A 1 35  ASN 35  108 108 ASN ASN AaA . n 
A 1 36  LEU 36  109 109 LEU LEU AaA . n 
A 1 37  LEU 37  110 110 LEU LEU AaA . n 
A 1 38  GLN 38  111 111 GLN GLN AaA . n 
A 1 39  GLU 39  112 112 GLU GLU AaA . n 
A 1 40  VAL 40  113 113 VAL VAL AaA . n 
A 1 41  GLY 41  114 114 GLY GLY AaA . n 
A 1 42  CYS 42  115 115 CYS CYS AaA . n 
A 1 43  ASN 43  116 116 ASN ASN AaA . n 
A 1 44  HIS 44  117 117 HIS HIS AaA . n 
A 1 45  ALA 45  118 118 ALA ALA AaA . n 
A 1 46  GLN 46  119 119 GLN GLN AaA . n 
A 1 47  SER 47  120 120 SER SER AaA . n 
A 1 48  VAL 48  121 121 VAL VAL AaA . n 
A 1 49  GLY 49  122 122 GLY GLY AaA . n 
A 1 50  PHE 50  123 123 PHE PHE AaA . n 
A 1 51  SER 51  124 124 SER SER AaA . n 
A 1 52  THR 52  125 ?   ?   ?   AaA . n 
A 1 53  ASP 53  126 126 ASP ASP AaA . n 
A 1 54  GLY 54  127 127 GLY GLY AaA . n 
A 1 55  PHE 55  128 128 PHE PHE AaA . n 
A 1 56  ALA 56  129 129 ALA ALA AaA . n 
A 1 57  THR 57  130 130 THR THR AaA . n 
A 1 58  THR 58  131 131 THR THR AaA . n 
A 1 59  THR 59  132 132 THR THR AaA . n 
A 1 60  THR 60  133 133 THR THR AaA . n 
A 1 61  MET 61  134 134 MET MET AaA . n 
A 1 62  ARG 62  135 135 ARG ARG AaA . n 
A 1 63  LYS 63  136 136 LYS LYS AaA . n 
A 1 64  LEU 64  137 137 LEU LEU AaA . n 
A 1 65  HIS 65  138 138 HIS HIS AaA . n 
A 1 66  LEU 66  139 139 LEU LEU AaA . n 
A 1 67  ILE 67  140 140 ILE ILE AaA . n 
A 1 68  TRP 68  141 141 TRP TRP AaA . n 
A 1 69  VAL 69  142 142 VAL VAL AaA . n 
A 1 70  THR 70  143 143 THR THR AaA . n 
A 1 71  ALA 71  144 144 ALA ALA AaA . n 
A 1 72  ARG 72  145 145 ARG ARG AaA . n 
A 1 73  MET 73  146 146 MET MET AaA . n 
A 1 74  HIS 74  147 147 HIS HIS AaA . n 
A 1 75  ILE 75  148 148 ILE ILE AaA . n 
A 1 76  GLU 76  149 149 GLU GLU AaA . n 
A 1 77  ILE 77  150 150 ILE ILE AaA . n 
A 1 78  TYR 78  151 151 TYR TYR AaA . n 
A 1 79  LYS 79  152 152 LYS LYS AaA . n 
A 1 80  TYR 80  153 153 TYR TYR AaA . n 
A 1 81  PRO 81  154 154 PRO PRO AaA . n 
A 1 82  ALA 82  155 155 ALA ALA AaA . n 
A 1 83  TRP 83  156 156 TRP TRP AaA . n 
A 1 84  GLY 84  157 157 GLY GLY AaA . n 
A 1 85  ASP 85  158 158 ASP ASP AaA . n 
A 1 86  VAL 86  159 159 VAL VAL AaA . n 
A 1 87  VAL 87  160 160 VAL VAL AaA . n 
A 1 88  GLU 88  161 161 GLU GLU AaA . n 
A 1 89  ILE 89  162 162 ILE ILE AaA . n 
A 1 90  GLU 90  163 163 GLU GLU AaA . n 
A 1 91  THR 91  164 164 THR THR AaA . n 
A 1 92  TRP 92  165 165 TRP TRP AaA . n 
A 1 93  CYS 93  166 166 CYS CYS AaA . n 
A 1 94  GLN 94  167 167 GLN GLN AaA . n 
A 1 95  SER 95  168 168 SER SER AaA . n 
A 1 96  GLU 96  169 169 GLU GLU AaA . n 
A 1 97  GLY 97  170 170 GLY GLY AaA . n 
A 1 98  ARG 98  171 171 ARG ARG AaA . n 
A 1 99  ILE 99  172 172 ILE ILE AaA . n 
A 1 100 GLY 100 173 173 GLY GLY AaA . n 
A 1 101 THR 101 174 174 THR THR AaA . n 
A 1 102 ARG 102 175 175 ARG ARG AaA . n 
A 1 103 ARG 103 176 176 ARG ARG AaA . n 
A 1 104 ASP 104 177 177 ASP ASP AaA . n 
A 1 105 TRP 105 178 178 TRP TRP AaA . n 
A 1 106 ILE 106 179 179 ILE ILE AaA . n 
A 1 107 LEU 107 180 180 LEU LEU AaA . n 
A 1 108 LYS 108 181 181 LYS LYS AaA . n 
A 1 109 ASP 109 182 182 ASP ASP AaA . n 
A 1 110 SER 110 183 183 SER SER AaA . n 
A 1 111 VAL 111 184 184 VAL VAL AaA . n 
A 1 112 THR 112 185 185 THR THR AaA . n 
A 1 113 GLY 113 186 186 GLY GLY AaA . n 
A 1 114 GLU 114 187 187 GLU GLU AaA . n 
A 1 115 VAL 115 188 188 VAL VAL AaA . n 
A 1 116 THR 116 189 189 THR THR AaA . n 
A 1 117 GLY 117 190 190 GLY GLY AaA . n 
A 1 118 ARG 118 191 191 ARG ARG AaA . n 
A 1 119 ALA 119 192 192 ALA ALA AaA . n 
A 1 120 THR 120 193 193 THR THR AaA . n 
A 1 121 SER 121 194 194 SER SER AaA . n 
A 1 122 LYS 122 195 195 LYS LYS AaA . n 
A 1 123 TRP 123 196 196 TRP TRP AaA . n 
A 1 124 VAL 124 197 197 VAL VAL AaA . n 
A 1 125 MET 125 198 198 MET MET AaA . n 
A 1 126 MET 126 199 199 MET MET AaA . n 
A 1 127 ASN 127 200 200 ASN ASN AaA . n 
A 1 128 GLN 128 201 201 GLN GLN AaA . n 
A 1 129 ASP 129 202 202 ASP ASP AaA . n 
A 1 130 THR 130 203 203 THR THR AaA . n 
A 1 131 ARG 131 204 204 ARG ARG AaA . n 
A 1 132 ARG 132 205 205 ARG ARG AaA . n 
A 1 133 LEU 133 206 206 LEU LEU AaA . n 
A 1 134 GLN 134 207 207 GLN GLN AaA . n 
A 1 135 LYS 135 208 208 LYS LYS AaA . n 
A 1 136 VAL 136 209 209 VAL VAL AaA . n 
A 1 137 SER 137 210 210 SER SER AaA . n 
A 1 138 ASP 138 211 211 ASP ASP AaA . n 
A 1 139 ASP 139 212 212 ASP ASP AaA . n 
A 1 140 VAL 140 213 213 VAL VAL AaA . n 
A 1 141 ARG 141 214 214 ARG ARG AaA . n 
A 1 142 ASP 142 215 215 ASP ASP AaA . n 
A 1 143 GLU 143 216 216 GLU GLU AaA . n 
A 1 144 TYR 144 217 217 TYR TYR AaA . n 
A 1 145 LEU 145 218 218 LEU LEU AaA . n 
A 1 146 VAL 146 219 219 VAL VAL AaA . n 
A 1 147 PHE 147 220 220 PHE PHE AaA . n 
A 1 148 CYS 148 221 221 CYS CYS AaA . n 
A 1 149 PRO 149 222 222 PRO PRO AaA . n 
A 1 150 GLN 150 223 223 GLN GLN AaA . n 
A 1 151 GLU 151 224 224 GLU GLU AaA . n 
A 1 152 PRO 152 225 225 PRO PRO AaA . n 
A 1 153 ARG 153 226 226 ARG ARG AaA . n 
A 1 154 LEU 154 227 227 LEU LEU AaA . n 
A 1 155 ALA 155 228 228 ALA ALA AaA . n 
A 1 156 PHE 156 229 229 PHE PHE AaA . n 
A 1 157 PRO 157 230 ?   ?   ?   AaA . n 
A 1 158 GLU 158 231 ?   ?   ?   AaA . n 
A 1 159 GLU 159 232 ?   ?   ?   AaA . n 
A 1 160 ASN 160 233 ?   ?   ?   AaA . n 
A 1 161 ASN 161 234 ?   ?   ?   AaA . n 
A 1 162 ARG 162 235 ?   ?   ?   AaA . n 
A 1 163 SER 163 236 ?   ?   ?   AaA . n 
A 1 164 LEU 164 237 ?   ?   ?   AaA . n 
A 1 165 LYS 165 238 ?   ?   ?   AaA . n 
A 1 166 LYS 166 239 239 LYS LYS AaA . n 
A 1 167 ILE 167 240 240 ILE ILE AaA . n 
A 1 168 PRO 168 241 241 PRO PRO AaA . n 
A 1 169 LYS 169 242 242 LYS LYS AaA . n 
A 1 170 LEU 170 243 243 LEU LEU AaA . n 
A 1 171 GLU 171 244 244 GLU GLU AaA . n 
A 1 172 ASP 172 245 245 ASP ASP AaA . n 
A 1 173 PRO 173 246 246 PRO PRO AaA . n 
A 1 174 ALA 174 247 247 ALA ALA AaA . n 
A 1 175 GLN 175 248 248 GLN GLN AaA . n 
A 1 176 TYR 176 249 249 TYR TYR AaA . n 
A 1 177 SER 177 250 250 SER SER AaA . n 
A 1 178 MET 178 251 251 MET MET AaA . n 
A 1 179 ILE 179 252 252 ILE ILE AaA . n 
A 1 180 GLY 180 253 253 GLY GLY AaA . n 
A 1 181 LEU 181 254 254 LEU LEU AaA . n 
A 1 182 LYS 182 255 255 LYS LYS AaA . n 
A 1 183 PRO 183 256 256 PRO PRO AaA . n 
A 1 184 ARG 184 257 257 ARG ARG AaA . n 
A 1 185 ARG 185 258 258 ARG ARG AaA . n 
A 1 186 ALA 186 259 259 ALA ALA AaA . n 
A 1 187 ASP 187 260 260 ASP ASP AaA . n 
A 1 188 LEU 188 261 261 LEU LEU AaA . n 
A 1 189 ASP 189 262 262 ASP ASP AaA . n 
A 1 190 MET 190 263 263 MET MET AaA . n 
A 1 191 ASN 191 264 264 ASN ASN AaA . n 
A 1 192 GLN 192 265 265 GLN GLN AaA . n 
A 1 193 HIS 193 266 266 HIS HIS AaA . n 
A 1 194 VAL 194 267 267 VAL VAL AaA . n 
A 1 195 ASN 195 268 268 ASN ASN AaA . n 
A 1 196 ASN 196 269 269 ASN ASN AaA . n 
A 1 197 VAL 197 270 270 VAL VAL AaA . n 
A 1 198 THR 198 271 271 THR THR AaA . n 
A 1 199 TYR 199 272 272 TYR TYR AaA . n 
A 1 200 ILE 200 273 273 ILE ILE AaA . n 
A 1 201 GLY 201 274 274 GLY GLY AaA . n 
A 1 202 TRP 202 275 275 TRP TRP AaA . n 
A 1 203 VAL 203 276 276 VAL VAL AaA . n 
A 1 204 LEU 204 277 277 LEU LEU AaA . n 
A 1 205 GLU 205 278 278 GLU GLU AaA . n 
A 1 206 SER 206 279 279 SER SER AaA . n 
A 1 207 ILE 207 280 280 ILE ILE AaA . n 
A 1 208 PRO 208 281 281 PRO PRO AaA . n 
A 1 209 GLN 209 282 282 GLN GLN AaA . n 
A 1 210 GLU 210 283 283 GLU GLU AaA . n 
A 1 211 ILE 211 284 284 ILE ILE AaA . n 
A 1 212 VAL 212 285 285 VAL VAL AaA . n 
A 1 213 ASP 213 286 286 ASP ASP AaA . n 
A 1 214 THR 214 287 287 THR THR AaA . n 
A 1 215 HIS 215 288 288 HIS HIS AaA . n 
A 1 216 GLU 216 289 289 GLU GLU AaA . n 
A 1 217 LEU 217 290 290 LEU LEU AaA . n 
A 1 218 GLN 218 291 291 GLN GLN AaA . n 
A 1 219 VAL 219 292 292 VAL VAL AaA . n 
A 1 220 ILE 220 293 293 ILE ILE AaA . n 
A 1 221 THR 221 294 294 THR THR AaA . n 
A 1 222 LEU 222 295 295 LEU LEU AaA . n 
A 1 223 ASP 223 296 296 ASP ASP AaA . n 
A 1 224 TYR 224 297 297 TYR TYR AaA . n 
A 1 225 ARG 225 298 298 ARG ARG AaA . n 
A 1 226 ARG 226 299 299 ARG ARG AaA . n 
A 1 227 GLU 227 300 300 GLU GLU AaA . n 
A 1 228 CYS 228 301 301 CYS CYS AaA . n 
A 1 229 GLN 229 302 302 GLN GLN AaA . n 
A 1 230 GLN 230 303 303 GLN GLN AaA . n 
A 1 231 ASP 231 304 304 ASP ASP AaA . n 
A 1 232 ASP 232 305 305 ASP ASP AaA . n 
A 1 233 VAL 233 306 306 VAL VAL AaA . n 
A 1 234 VAL 234 307 307 VAL VAL AaA . n 
A 1 235 ASP 235 308 308 ASP ASP AaA . n 
A 1 236 SER 236 309 309 SER SER AaA . n 
A 1 237 LEU 237 310 310 LEU LEU AaA . n 
A 1 238 THR 238 311 311 THR THR AaA . n 
A 1 239 THR 239 312 312 THR THR AaA . n 
A 1 240 THR 240 313 313 THR THR AaA . n 
A 1 241 THR 241 314 314 THR THR AaA . n 
A 1 242 SER 242 315 315 SER SER AaA . n 
A 1 243 GLU 243 316 ?   ?   ?   AaA . n 
A 1 244 ILE 244 317 ?   ?   ?   AaA . n 
A 1 245 GLY 245 318 ?   ?   ?   AaA . n 
A 1 246 GLY 246 319 ?   ?   ?   AaA . n 
A 1 247 THR 247 320 ?   ?   ?   AaA . n 
A 1 248 ASN 248 321 ?   ?   ?   AaA . n 
A 1 249 GLY 249 322 ?   ?   ?   AaA . n 
A 1 250 SER 250 323 ?   ?   ?   AaA . n 
A 1 251 ALA 251 324 ?   ?   ?   AaA . n 
A 1 252 THR 252 325 ?   ?   ?   AaA . n 
A 1 253 SER 253 326 ?   ?   ?   AaA . n 
A 1 254 GLY 254 327 ?   ?   ?   AaA . n 
A 1 255 THR 255 328 ?   ?   ?   AaA . n 
A 1 256 GLN 256 329 ?   ?   ?   AaA . n 
A 1 257 GLY 257 330 ?   ?   ?   AaA . n 
A 1 258 HIS 258 331 ?   ?   ?   AaA . n 
A 1 259 ASN 259 332 ?   ?   ?   AaA . n 
A 1 260 ASP 260 333 333 ASP ASP AaA . n 
A 1 261 SER 261 334 334 SER SER AaA . n 
A 1 262 GLN 262 335 335 GLN GLN AaA . n 
A 1 263 PHE 263 336 336 PHE PHE AaA . n 
A 1 264 LEU 264 337 337 LEU LEU AaA . n 
A 1 265 HIS 265 338 338 HIS HIS AaA . n 
A 1 266 LEU 266 339 339 LEU LEU AaA . n 
A 1 267 LEU 267 340 340 LEU LEU AaA . n 
A 1 268 ARG 268 341 341 ARG ARG AaA . n 
A 1 269 LEU 269 342 342 LEU LEU AaA . n 
A 1 270 SER 270 343 343 SER SER AaA . n 
A 1 271 GLY 271 344 344 GLY GLY AaA . n 
A 1 272 ASP 272 345 345 ASP ASP AaA . n 
A 1 273 GLY 273 346 346 GLY GLY AaA . n 
A 1 274 GLN 274 347 347 GLN GLN AaA . n 
A 1 275 GLU 275 348 348 GLU GLU AaA . n 
A 1 276 ILE 276 349 349 ILE ILE AaA . n 
A 1 277 ASN 277 350 350 ASN ASN AaA . n 
A 1 278 ARG 278 351 351 ARG ARG AaA . n 
A 1 279 GLY 279 352 352 GLY GLY AaA . n 
A 1 280 THR 280 353 353 THR THR AaA . n 
A 1 281 THR 281 354 354 THR THR AaA . n 
A 1 282 LEU 282 355 355 LEU LEU AaA . n 
A 1 283 TRP 283 356 356 TRP TRP AaA . n 
A 1 284 ARG 284 357 357 ARG ARG AaA . n 
A 1 285 LYS 285 358 358 LYS LYS AaA . n 
A 1 286 LYS 286 359 359 LYS LYS AaA . n 
A 1 287 PRO 287 360 ?   ?   ?   AaA . n 
A 1 288 SER 288 361 ?   ?   ?   AaA . n 
A 1 289 SER 289 362 ?   ?   ?   AaA . n 
A 1 290 HIS 290 363 ?   ?   ?   AaA . n 
A 1 291 HIS 291 364 ?   ?   ?   AaA . n 
A 1 292 HIS 292 365 ?   ?   ?   AaA . n 
A 1 293 HIS 293 366 ?   ?   ?   AaA . n 
A 1 294 HIS 294 367 ?   ?   ?   AaA . n 
A 1 295 HIS 295 368 ?   ?   ?   AaA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IOW 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IOW 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1IOW 1   401 1   A1IOW 085 AaA . 
C 3 SO4   1   402 1   SO4   SO4 AaA . 
D 3 SO4   1   403 2   SO4   SO4 AaA . 
E 4 GOL   1   404 1   GOL   GOL AaA . 
F 5 HOH   1   501 136 HOH   HOH AaA . 
F 5 HOH   2   502 25  HOH   HOH AaA . 
F 5 HOH   3   503 137 HOH   HOH AaA . 
F 5 HOH   4   504 45  HOH   HOH AaA . 
F 5 HOH   5   505 65  HOH   HOH AaA . 
F 5 HOH   6   506 37  HOH   HOH AaA . 
F 5 HOH   7   507 7   HOH   HOH AaA . 
F 5 HOH   8   508 128 HOH   HOH AaA . 
F 5 HOH   9   509 33  HOH   HOH AaA . 
F 5 HOH   10  510 49  HOH   HOH AaA . 
F 5 HOH   11  511 89  HOH   HOH AaA . 
F 5 HOH   12  512 15  HOH   HOH AaA . 
F 5 HOH   13  513 24  HOH   HOH AaA . 
F 5 HOH   14  514 85  HOH   HOH AaA . 
F 5 HOH   15  515 92  HOH   HOH AaA . 
F 5 HOH   16  516 41  HOH   HOH AaA . 
F 5 HOH   17  517 60  HOH   HOH AaA . 
F 5 HOH   18  518 2   HOH   HOH AaA . 
F 5 HOH   19  519 36  HOH   HOH AaA . 
F 5 HOH   20  520 152 HOH   HOH AaA . 
F 5 HOH   21  521 132 HOH   HOH AaA . 
F 5 HOH   22  522 107 HOH   HOH AaA . 
F 5 HOH   23  523 83  HOH   HOH AaA . 
F 5 HOH   24  524 99  HOH   HOH AaA . 
F 5 HOH   25  525 138 HOH   HOH AaA . 
F 5 HOH   26  526 103 HOH   HOH AaA . 
F 5 HOH   27  527 121 HOH   HOH AaA . 
F 5 HOH   28  528 74  HOH   HOH AaA . 
F 5 HOH   29  529 109 HOH   HOH AaA . 
F 5 HOH   30  530 35  HOH   HOH AaA . 
F 5 HOH   31  531 148 HOH   HOH AaA . 
F 5 HOH   32  532 129 HOH   HOH AaA . 
F 5 HOH   33  533 32  HOH   HOH AaA . 
F 5 HOH   34  534 110 HOH   HOH AaA . 
F 5 HOH   35  535 26  HOH   HOH AaA . 
F 5 HOH   36  536 27  HOH   HOH AaA . 
F 5 HOH   37  537 140 HOH   HOH AaA . 
F 5 HOH   38  538 81  HOH   HOH AaA . 
F 5 HOH   39  539 18  HOH   HOH AaA . 
F 5 HOH   40  540 106 HOH   HOH AaA . 
F 5 HOH   41  541 104 HOH   HOH AaA . 
F 5 HOH   42  542 17  HOH   HOH AaA . 
F 5 HOH   43  543 96  HOH   HOH AaA . 
F 5 HOH   44  544 88  HOH   HOH AaA . 
F 5 HOH   45  545 157 HOH   HOH AaA . 
F 5 HOH   46  546 82  HOH   HOH AaA . 
F 5 HOH   47  547 57  HOH   HOH AaA . 
F 5 HOH   48  548 123 HOH   HOH AaA . 
F 5 HOH   49  549 154 HOH   HOH AaA . 
F 5 HOH   50  550 28  HOH   HOH AaA . 
F 5 HOH   51  551 76  HOH   HOH AaA . 
F 5 HOH   52  552 101 HOH   HOH AaA . 
F 5 HOH   53  553 59  HOH   HOH AaA . 
F 5 HOH   54  554 100 HOH   HOH AaA . 
F 5 HOH   55  555 56  HOH   HOH AaA . 
F 5 HOH   56  556 12  HOH   HOH AaA . 
F 5 HOH   57  557 19  HOH   HOH AaA . 
F 5 HOH   58  558 14  HOH   HOH AaA . 
F 5 HOH   59  559 93  HOH   HOH AaA . 
F 5 HOH   60  560 119 HOH   HOH AaA . 
F 5 HOH   61  561 51  HOH   HOH AaA . 
F 5 HOH   62  562 40  HOH   HOH AaA . 
F 5 HOH   63  563 30  HOH   HOH AaA . 
F 5 HOH   64  564 52  HOH   HOH AaA . 
F 5 HOH   65  565 155 HOH   HOH AaA . 
F 5 HOH   66  566 58  HOH   HOH AaA . 
F 5 HOH   67  567 50  HOH   HOH AaA . 
F 5 HOH   68  568 31  HOH   HOH AaA . 
F 5 HOH   69  569 1   HOH   HOH AaA . 
F 5 HOH   70  570 153 HOH   HOH AaA . 
F 5 HOH   71  571 23  HOH   HOH AaA . 
F 5 HOH   72  572 66  HOH   HOH AaA . 
F 5 HOH   73  573 11  HOH   HOH AaA . 
F 5 HOH   74  574 108 HOH   HOH AaA . 
F 5 HOH   75  575 80  HOH   HOH AaA . 
F 5 HOH   76  576 16  HOH   HOH AaA . 
F 5 HOH   77  577 135 HOH   HOH AaA . 
F 5 HOH   78  578 61  HOH   HOH AaA . 
F 5 HOH   79  579 44  HOH   HOH AaA . 
F 5 HOH   80  580 13  HOH   HOH AaA . 
F 5 HOH   81  581 114 HOH   HOH AaA . 
F 5 HOH   82  582 8   HOH   HOH AaA . 
F 5 HOH   83  583 70  HOH   HOH AaA . 
F 5 HOH   84  584 10  HOH   HOH AaA . 
F 5 HOH   85  585 46  HOH   HOH AaA . 
F 5 HOH   86  586 68  HOH   HOH AaA . 
F 5 HOH   87  587 127 HOH   HOH AaA . 
F 5 HOH   88  588 54  HOH   HOH AaA . 
F 5 HOH   89  589 131 HOH   HOH AaA . 
F 5 HOH   90  590 159 HOH   HOH AaA . 
F 5 HOH   91  591 102 HOH   HOH AaA . 
F 5 HOH   92  592 79  HOH   HOH AaA . 
F 5 HOH   93  593 125 HOH   HOH AaA . 
F 5 HOH   94  594 84  HOH   HOH AaA . 
F 5 HOH   95  595 69  HOH   HOH AaA . 
F 5 HOH   96  596 122 HOH   HOH AaA . 
F 5 HOH   97  597 111 HOH   HOH AaA . 
F 5 HOH   98  598 151 HOH   HOH AaA . 
F 5 HOH   99  599 90  HOH   HOH AaA . 
F 5 HOH   100 600 4   HOH   HOH AaA . 
F 5 HOH   101 601 72  HOH   HOH AaA . 
F 5 HOH   102 602 118 HOH   HOH AaA . 
F 5 HOH   103 603 48  HOH   HOH AaA . 
F 5 HOH   104 604 86  HOH   HOH AaA . 
F 5 HOH   105 605 126 HOH   HOH AaA . 
F 5 HOH   106 606 87  HOH   HOH AaA . 
F 5 HOH   107 607 77  HOH   HOH AaA . 
F 5 HOH   108 608 130 HOH   HOH AaA . 
F 5 HOH   109 609 95  HOH   HOH AaA . 
F 5 HOH   110 610 29  HOH   HOH AaA . 
F 5 HOH   111 611 145 HOH   HOH AaA . 
F 5 HOH   112 612 39  HOH   HOH AaA . 
F 5 HOH   113 613 6   HOH   HOH AaA . 
F 5 HOH   114 614 149 HOH   HOH AaA . 
F 5 HOH   115 615 38  HOH   HOH AaA . 
F 5 HOH   116 616 75  HOH   HOH AaA . 
F 5 HOH   117 617 141 HOH   HOH AaA . 
F 5 HOH   118 618 78  HOH   HOH AaA . 
F 5 HOH   119 619 62  HOH   HOH AaA . 
F 5 HOH   120 620 20  HOH   HOH AaA . 
F 5 HOH   121 621 22  HOH   HOH AaA . 
F 5 HOH   122 622 43  HOH   HOH AaA . 
F 5 HOH   123 623 97  HOH   HOH AaA . 
F 5 HOH   124 624 42  HOH   HOH AaA . 
F 5 HOH   125 625 34  HOH   HOH AaA . 
F 5 HOH   126 626 71  HOH   HOH AaA . 
F 5 HOH   127 627 53  HOH   HOH AaA . 
F 5 HOH   128 628 73  HOH   HOH AaA . 
F 5 HOH   129 629 115 HOH   HOH AaA . 
F 5 HOH   130 630 64  HOH   HOH AaA . 
F 5 HOH   131 631 5   HOH   HOH AaA . 
F 5 HOH   132 632 47  HOH   HOH AaA . 
F 5 HOH   133 633 98  HOH   HOH AaA . 
F 5 HOH   134 634 117 HOH   HOH AaA . 
F 5 HOH   135 635 9   HOH   HOH AaA . 
F 5 HOH   136 636 150 HOH   HOH AaA . 
F 5 HOH   137 637 120 HOH   HOH AaA . 
F 5 HOH   138 638 105 HOH   HOH AaA . 
F 5 HOH   139 639 139 HOH   HOH AaA . 
F 5 HOH   140 640 91  HOH   HOH AaA . 
F 5 HOH   141 641 21  HOH   HOH AaA . 
F 5 HOH   142 642 63  HOH   HOH AaA . 
F 5 HOH   143 643 112 HOH   HOH AaA . 
F 5 HOH   144 644 133 HOH   HOH AaA . 
F 5 HOH   145 645 116 HOH   HOH AaA . 
F 5 HOH   146 646 156 HOH   HOH AaA . 
F 5 HOH   147 647 55  HOH   HOH AaA . 
F 5 HOH   148 648 147 HOH   HOH AaA . 
F 5 HOH   149 649 143 HOH   HOH AaA . 
F 5 HOH   150 650 3   HOH   HOH AaA . 
F 5 HOH   151 651 142 HOH   HOH AaA . 
F 5 HOH   152 652 158 HOH   HOH AaA . 
F 5 HOH   153 653 134 HOH   HOH AaA . 
F 5 HOH   154 654 124 HOH   HOH AaA . 
F 5 HOH   155 655 94  HOH   HOH AaA . 
F 5 HOH   156 656 113 HOH   HOH AaA . 
F 5 HOH   157 657 67  HOH   HOH AaA . 
F 5 HOH   158 658 144 HOH   HOH AaA . 
F 5 HOH   159 659 146 HOH   HOH AaA . 
# 
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 ? ? ? 5.8.0253 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        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                     9GRR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     98.430 
_cell.length_a_esd                 ? 
_cell.length_b                     98.430 
_cell.length_b_esd                 ? 
_cell.length_c                     126.170 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         9GRR 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                97 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 4 2 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                   9GRR 
_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             2.27 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.88 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    '1.3M ammonium sulphate, 0.1M sodium acetate pH 4.4' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M-F' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2018-03-05 
_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   0.9159 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9159 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GRR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.4 
_reflns.d_resolution_low                               77.61 
_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                                     59353 
_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                           97.4 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                8.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.6 
_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                                0.056 
_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                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_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                                    1.4 
_reflns_shell.d_res_low                                     1.42 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2943 
_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                               7.3 
_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                                  0.5 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          97.6 
_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]                            0.015 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.015 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.029 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               24.135 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.959 
_refine.correlation_coeff_Fo_to_Fc_free          0.948 
_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                                 9GRR 
_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                            1.400 
_refine.ls_d_res_low                             77.607 
_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                     59348 
_refine.ls_number_reflns_R_free                  3014 
_refine.ls_number_reflns_R_work                  56334 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.367 
_refine.ls_percent_reflns_R_free                 5.079 
_refine.ls_R_factor_all                          0.217 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2329 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2161 
_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                       0.069 
_refine.pdbx_overall_ESU_R_Free                  0.068 
_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                             1.322 
_refine.overall_SU_ML                            0.052 
_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.pdbx_number_atoms_protein        2080 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         36 
_refine_hist.number_atoms_solvent             159 
_refine_hist.number_atoms_total               2275 
_refine_hist.d_res_high                       1.400 
_refine_hist.d_res_low                        77.607 
# 
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  0.013  2217 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.017  2042 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.713  1.642  3016 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.491  1.580  4734 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.081  5.000  270  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.238 21.732 127  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.826 15.000 391  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.121 15.000 19   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.082  0.200  293  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  2445 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  480  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  361  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  1839 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.166  0.200  1024 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  1021 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.115  0.200  108  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.243  0.200  15   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.185  0.200  55   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.110  0.200  20   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.030  2.355  1053 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.022  2.352  1052 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.979  3.526  1314 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.980  3.529  1315 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.730  2.688  1164 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.729  2.689  1165 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.170  3.898  1696 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.169  3.899  1697 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.420  27.166 2410 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.390  27.018 2394 ? 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' 1.400 1.436  4440 . 224 4115 97.7252 . 0.331 . . 0.330 . . . . . 0.326 . 20 . 0.738 0.757 0.331 
'X-RAY DIFFRACTION' 1.436 1.476  4344 . 215 4031 97.7440 . 0.309 . . 0.309 . . . . . 0.298 . 20 . 0.814 0.813 0.323 
'X-RAY DIFFRACTION' 1.476 1.519  4218 . 182 3931 97.5107 . 0.284 . . 0.284 . . . . . 0.266 . 20 . 0.847 0.849 0.279 
'X-RAY DIFFRACTION' 1.519 1.565  4110 . 202 3810 97.6156 . 0.264 . . 0.263 . . . . . 0.241 . 20 . 0.854 0.844 0.296 
'X-RAY DIFFRACTION' 1.565 1.617  3998 . 202 3708 97.7989 . 0.241 . . 0.238 . . . . . 0.215 . 20 . 0.902 0.876 0.292 
'X-RAY DIFFRACTION' 1.617 1.673  3827 . 189 3560 97.9618 . 0.238 . . 0.236 . . . . . 0.213 . 20 . 0.914 0.900 0.272 
'X-RAY DIFFRACTION' 1.673 1.736  3734 . 187 3473 98.0182 . 0.237 . . 0.234 . . . . . 0.209 . 20 . 0.922 0.899 0.283 
'X-RAY DIFFRACTION' 1.736 1.807  3589 . 179 3348 98.2725 . 0.223 . . 0.223 . . . . . 0.202 . 20 . 0.928 0.937 0.221 
'X-RAY DIFFRACTION' 1.807 1.888  3441 . 173 3196 97.9076 . 0.219 . . 0.219 . . . . . 0.198 . 20 . 0.932 0.926 0.234 
'X-RAY DIFFRACTION' 1.888 1.980  3285 . 180 3042 98.0822 . 0.220 . . 0.220 . . . . . 0.202 . 20 . 0.934 0.934 0.228 
'X-RAY DIFFRACTION' 1.980 2.087  3157 . 160 2942 98.2578 . 0.223 . . 0.223 . . . . . 0.208 . 20 . 0.939 0.937 0.225 
'X-RAY DIFFRACTION' 2.087 2.213  2976 . 149 2768 98.0175 . 0.206 . . 0.205 . . . . . 0.195 . 20 . 0.945 0.951 0.215 
'X-RAY DIFFRACTION' 2.213 2.366  2808 . 149 2602 97.9701 . 0.212 . . 0.212 . . . . . 0.200 . 20 . 0.938 0.937 0.220 
'X-RAY DIFFRACTION' 2.366 2.555  2625 . 138 2428 97.7524 . 0.215 . . 0.214 . . . . . 0.204 . 20 . 0.938 0.927 0.238 
'X-RAY DIFFRACTION' 2.555 2.799  2430 . 130 2225 96.9136 . 0.213 . . 0.211 . . . . . 0.208 . 20 . 0.943 0.937 0.232 
'X-RAY DIFFRACTION' 2.799 3.129  2207 . 89  2044 96.6470 . 0.217 . . 0.216 . . . . . 0.214 . 20 . 0.939 0.941 0.224 
'X-RAY DIFFRACTION' 3.129 3.612  1962 . 93  1777 95.3109 . 0.208 . . 0.206 . . . . . 0.213 . 20 . 0.945 0.941 0.242 
'X-RAY DIFFRACTION' 3.612 4.421  1675 . 78  1495 93.9104 . 0.180 . . 0.179 . . . . . 0.197 . 20 . 0.962 0.955 0.190 
'X-RAY DIFFRACTION' 4.421 6.242  1332 . 58  1176 92.6426 . 0.195 . . 0.193 . . . . . 0.221 . 20 . 0.968 0.969 0.224 
'X-RAY DIFFRACTION' 6.242 77.607 795  . 37  663  88.0503 . 0.242 . . 0.243 . . . . . 0.272 . 20 . 0.941 0.930 0.224 
# 
_struct.entry_id                     9GRR 
_struct.title                        
'Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Cinmethylin' 
_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        9GRR 
_struct_keywords.text            'Thioesterase, Herbicide, Inhibitor, Cinmethylin, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FATA1_ARATH 
_struct_ref.pdbx_db_accession          Q42561 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GSLTEDGLSYKEKFVVRSYEVGSNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRKLHLIWVTARMHIEIYKYP
AWGDVVEIETWCQSEGRIGTRRDWILKDSVTGEVTGRATSKWVMMNQDTRRLQKVSDDVRDEYLVFCPQEPRLAFPEENN
RSLKKIPKLEDPAQYSMIGLKPRRADLDMNQHVNNVTYIGWVLESIPQEIVDTHELQVITLDYRRECQQDDVVDSLTTTT
SEIGGTNGSATSGTQGHNDSQFLHLLRLSGDGQEINRGTTLWRKKPSS
;
_struct_ref.pdbx_align_begin           75 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GRR 
_struct_ref_seq.pdbx_strand_id                AaA 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 289 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q42561 
_struct_ref_seq.db_align_beg                  75 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  362 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       75 
_struct_ref_seq.pdbx_auth_seq_align_end       362 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9GRR MET AaA 1   ? UNP Q42561 ? ? 'initiating methionine' 74  1 
1 9GRR HIS AaA 290 ? UNP Q42561 ? ? 'expression tag'        363 2 
1 9GRR HIS AaA 291 ? UNP Q42561 ? ? 'expression tag'        364 3 
1 9GRR HIS AaA 292 ? UNP Q42561 ? ? 'expression tag'        365 4 
1 9GRR HIS AaA 293 ? UNP Q42561 ? ? 'expression tag'        366 5 
1 9GRR HIS AaA 294 ? UNP Q42561 ? ? 'expression tag'        367 6 
1 9GRR HIS AaA 295 ? UNP Q42561 ? ? 'expression tag'        368 7 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,D,E,F 
1 2 A,B,C,D,E,F 
# 
_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                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z                1.0000000000 0.0000000000  0.0000000000 0.0000000000   0.0000000000  
1.0000000000 0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 16_445 -y-1/2,-x-1/2,-z+1/2 0.0000000000 -1.0000000000 0.0000000000 -49.2150000000 -1.0000000000 
0.0000000000 0.0000000000 -49.2150000000 0.0000000000 0.0000000000 -1.0000000000 63.0850000000 
# 
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 ARG A 18  ? VAL A 22  ? ARG AaA 91  VAL AaA 95  5 ? 5  
HELX_P HELX_P2 AA2 THR A 29  ? VAL A 48  ? THR AaA 102 VAL AaA 121 1 ? 20 
HELX_P HELX_P3 AA3 THR A 58  ? HIS A 65  ? THR AaA 131 HIS AaA 138 1 ? 8  
HELX_P HELX_P4 AA4 SER A 137 ? VAL A 146 ? SER AaA 210 VAL AaA 219 1 ? 10 
HELX_P HELX_P5 AA5 ARG A 184 ? LEU A 188 ? ARG AaA 257 LEU AaA 261 5 ? 5  
HELX_P HELX_P6 AA6 ASN A 196 ? SER A 206 ? ASN AaA 269 SER AaA 279 1 ? 11 
HELX_P HELX_P7 AA7 PRO A 208 ? THR A 214 ? PRO AaA 281 THR AaA 287 1 ? 7  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ASP 
_struct_mon_prot_cis.label_seq_id           172 
_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           ASP 
_struct_mon_prot_cis.auth_seq_id            245 
_struct_mon_prot_cis.auth_asym_id           AaA 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    173 
_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     246 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    AaA 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -5.51 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6  ? 
AA2 ? 11 ? 
# 
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  ? anti-parallel 
AA1 3  4  ? anti-parallel 
AA1 4  5  ? anti-parallel 
AA1 5  6  ? 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  ? anti-parallel 
AA2 6  7  ? anti-parallel 
AA2 7  8  ? anti-parallel 
AA2 8  9  ? anti-parallel 
AA2 9  10 ? anti-parallel 
AA2 10 11 ? 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 3   ? LEU A 4   ? SER AaA 76  LEU AaA 77  
AA1 2  TYR A 11  ? VAL A 16  ? TYR AaA 84  VAL AaA 89  
AA1 3  VAL A 86  ? GLU A 96  ? VAL AaA 159 GLU AaA 169 
AA1 4  GLY A 100 ? ASP A 109 ? GLY AaA 173 ASP AaA 182 
AA1 5  VAL A 115 ? ASN A 127 ? VAL AaA 188 ASN AaA 200 
AA1 6  LEU A 133 ? GLN A 134 ? LEU AaA 206 GLN AaA 207 
AA2 1  SER A 3   ? LEU A 4   ? SER AaA 76  LEU AaA 77  
AA2 2  TYR A 11  ? VAL A 16  ? TYR AaA 84  VAL AaA 89  
AA2 3  VAL A 86  ? GLU A 96  ? VAL AaA 159 GLU AaA 169 
AA2 4  GLY A 100 ? ASP A 109 ? GLY AaA 173 ASP AaA 182 
AA2 5  VAL A 115 ? ASN A 127 ? VAL AaA 188 ASN AaA 200 
AA2 6  LEU A 66  ? ILE A 77  ? LEU AaA 139 ILE AaA 150 
AA2 7  HIS A 215 ? TYR A 224 ? HIS AaA 288 TYR AaA 297 
AA2 8  GLU A 275 ? LYS A 285 ? GLU AaA 348 LYS AaA 358 
AA2 9  SER A 261 ? LEU A 269 ? SER AaA 334 LEU AaA 342 
AA2 10 VAL A 234 ? THR A 240 ? VAL AaA 307 THR AaA 313 
AA2 11 TYR A 176 ? LEU A 181 ? TYR AaA 249 LEU AaA 254 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1  2  N SER A 3   ? N SER AaA 76  O LYS A 12  ? O LYS AaA 85  
AA1 2  3  N GLU A 13  ? N GLU AaA 86  O ILE A 89  ? O ILE AaA 162 
AA1 3  4  N GLN A 94  ? N GLN AaA 167 O ARG A 102 ? O ARG AaA 175 
AA1 4  5  N THR A 101 ? N THR AaA 174 O TRP A 123 ? O TRP AaA 196 
AA1 5  6  N MET A 125 ? N MET AaA 198 O GLN A 134 ? O GLN AaA 207 
AA2 1  2  N SER A 3   ? N SER AaA 76  O LYS A 12  ? O LYS AaA 85  
AA2 2  3  N GLU A 13  ? N GLU AaA 86  O ILE A 89  ? O ILE AaA 162 
AA2 3  4  N GLN A 94  ? N GLN AaA 167 O ARG A 102 ? O ARG AaA 175 
AA2 4  5  N THR A 101 ? N THR AaA 174 O TRP A 123 ? O TRP AaA 196 
AA2 5  6  O ARG A 118 ? O ARG AaA 191 N GLU A 76  ? N GLU AaA 149 
AA2 6  7  N ILE A 75  ? N ILE AaA 148 O ILE A 220 ? O ILE AaA 293 
AA2 7  8  N ASP A 223 ? N ASP AaA 296 O ARG A 278 ? O ARG AaA 351 
AA2 8  9  O TRP A 283 ? O TRP AaA 356 N SER A 261 ? N SER AaA 334 
AA2 9  10 O LEU A 264 ? O LEU AaA 337 N THR A 239 ? N THR AaA 312 
AA2 10 11 O THR A 238 ? O THR AaA 311 N TYR A 176 ? N TYR AaA 249 
# 
_pdbx_entry_details.entry_id                   9GRR 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE AaA ARG 175 ? ? CZ AaA ARG 175 ? ? NH1 AaA ARG 175 ? ? 116.13 120.30 -4.17 0.50 N 
2 1 NE AaA ARG 175 ? ? CZ AaA ARG 175 ? ? NH2 AaA ARG 175 ? ? 124.57 120.30 4.27  0.50 N 
3 1 CB AaA PHE 229 ? ? CA AaA PHE 229 ? ? C   AaA PHE 229 ? ? 124.03 110.40 13.63 2.00 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    TRP 
_pdbx_validate_torsion.auth_asym_id    AaA 
_pdbx_validate_torsion.auth_seq_id     156 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    B 
_pdbx_validate_torsion.phi             -38.03 
_pdbx_validate_torsion.psi             122.53 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AaA SO4 402 ? C SO4 . 
2 1 AaA HOH 645 ? F HOH . 
3 1 AaA HOH 654 ? F HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 AaA MET 74  ? A MET 1   
2  1 Y 1 AaA THR 125 ? A THR 52  
3  1 Y 1 AaA PRO 230 ? A PRO 157 
4  1 Y 1 AaA GLU 231 ? A GLU 158 
5  1 Y 1 AaA GLU 232 ? A GLU 159 
6  1 Y 1 AaA ASN 233 ? A ASN 160 
7  1 Y 1 AaA ASN 234 ? A ASN 161 
8  1 Y 1 AaA ARG 235 ? A ARG 162 
9  1 Y 1 AaA SER 236 ? A SER 163 
10 1 Y 1 AaA LEU 237 ? A LEU 164 
11 1 Y 1 AaA LYS 238 ? A LYS 165 
12 1 Y 1 AaA GLU 316 ? A GLU 243 
13 1 Y 1 AaA ILE 317 ? A ILE 244 
14 1 Y 1 AaA GLY 318 ? A GLY 245 
15 1 Y 1 AaA GLY 319 ? A GLY 246 
16 1 Y 1 AaA THR 320 ? A THR 247 
17 1 Y 1 AaA ASN 321 ? A ASN 248 
18 1 Y 1 AaA GLY 322 ? A GLY 249 
19 1 Y 1 AaA SER 323 ? A SER 250 
20 1 Y 1 AaA ALA 324 ? A ALA 251 
21 1 Y 1 AaA THR 325 ? A THR 252 
22 1 Y 1 AaA SER 326 ? A SER 253 
23 1 Y 1 AaA GLY 327 ? A GLY 254 
24 1 Y 1 AaA THR 328 ? A THR 255 
25 1 Y 1 AaA GLN 329 ? A GLN 256 
26 1 Y 1 AaA GLY 330 ? A GLY 257 
27 1 Y 1 AaA HIS 331 ? A HIS 258 
28 1 Y 1 AaA ASN 332 ? A ASN 259 
29 1 Y 1 AaA PRO 360 ? A PRO 287 
30 1 Y 1 AaA SER 361 ? A SER 288 
31 1 Y 1 AaA SER 362 ? A SER 289 
32 1 Y 1 AaA HIS 363 ? A HIS 290 
33 1 Y 1 AaA HIS 364 ? A HIS 291 
34 1 Y 1 AaA HIS 365 ? A HIS 292 
35 1 Y 1 AaA HIS 366 ? A HIS 293 
36 1 Y 1 AaA HIS 367 ? A HIS 294 
37 1 Y 1 AaA HIS 368 ? A HIS 295 
# 
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 
A1IOW C18  C N N 1   
A1IOW C17  C Y N 2   
A1IOW C16  C Y N 3   
A1IOW C15  C Y N 4   
A1IOW C14  C Y N 5   
A1IOW C13  C Y N 6   
A1IOW C12  C Y N 7   
A1IOW C11  C N N 8   
A1IOW O2   O N N 9   
A1IOW C9   C N R 10  
A1IOW C7   C N S 11  
A1IOW O1   O N N 12  
A1IOW C8   C N N 13  
A1IOW C6   C N N 14  
A1IOW C5   C N N 15  
A1IOW C10  C N N 16  
A1IOW C4   C N R 17  
A1IOW C2   C N N 18  
A1IOW C3   C N N 19  
A1IOW C1   C N N 20  
A1IOW H25  H N N 21  
A1IOW H24  H N N 22  
A1IOW H26  H N N 23  
A1IOW H23  H N N 24  
A1IOW H22  H N N 25  
A1IOW H21  H N N 26  
A1IOW H20  H N N 27  
A1IOW H19  H N N 28  
A1IOW H18  H N N 29  
A1IOW H15  H N N 30  
A1IOW H12  H N N 31  
A1IOW H13  H N N 32  
A1IOW H14  H N N 33  
A1IOW H11  H N N 34  
A1IOW H10  H N N 35  
A1IOW H9   H N N 36  
A1IOW H8   H N N 37  
A1IOW H16  H N N 38  
A1IOW H17  H N N 39  
A1IOW H4   H N N 40  
A1IOW H7   H N N 41  
A1IOW H6   H N N 42  
A1IOW H5   H N N 43  
A1IOW H2   H N N 44  
A1IOW H3   H N N 45  
A1IOW H1   H N N 46  
ALA   N    N N N 47  
ALA   CA   C N S 48  
ALA   C    C N N 49  
ALA   O    O N N 50  
ALA   CB   C N N 51  
ALA   OXT  O N N 52  
ALA   H    H N N 53  
ALA   H2   H N N 54  
ALA   HA   H N N 55  
ALA   HB1  H N N 56  
ALA   HB2  H N N 57  
ALA   HB3  H N N 58  
ALA   HXT  H N N 59  
ARG   N    N N N 60  
ARG   CA   C N S 61  
ARG   C    C N N 62  
ARG   O    O N N 63  
ARG   CB   C N N 64  
ARG   CG   C N N 65  
ARG   CD   C N N 66  
ARG   NE   N N N 67  
ARG   CZ   C N N 68  
ARG   NH1  N N N 69  
ARG   NH2  N N N 70  
ARG   OXT  O N N 71  
ARG   H    H N N 72  
ARG   H2   H N N 73  
ARG   HA   H N N 74  
ARG   HB2  H N N 75  
ARG   HB3  H N N 76  
ARG   HG2  H N N 77  
ARG   HG3  H N N 78  
ARG   HD2  H N N 79  
ARG   HD3  H N N 80  
ARG   HE   H N N 81  
ARG   HH11 H N N 82  
ARG   HH12 H N N 83  
ARG   HH21 H N N 84  
ARG   HH22 H N N 85  
ARG   HXT  H N N 86  
ASN   N    N N N 87  
ASN   CA   C N S 88  
ASN   C    C N N 89  
ASN   O    O N N 90  
ASN   CB   C N N 91  
ASN   CG   C N N 92  
ASN   OD1  O N N 93  
ASN   ND2  N N N 94  
ASN   OXT  O N N 95  
ASN   H    H N N 96  
ASN   H2   H N N 97  
ASN   HA   H N N 98  
ASN   HB2  H N N 99  
ASN   HB3  H N N 100 
ASN   HD21 H N N 101 
ASN   HD22 H N N 102 
ASN   HXT  H N N 103 
ASP   N    N N N 104 
ASP   CA   C N S 105 
ASP   C    C N N 106 
ASP   O    O N N 107 
ASP   CB   C N N 108 
ASP   CG   C N N 109 
ASP   OD1  O N N 110 
ASP   OD2  O N N 111 
ASP   OXT  O N N 112 
ASP   H    H N N 113 
ASP   H2   H N N 114 
ASP   HA   H N N 115 
ASP   HB2  H N N 116 
ASP   HB3  H N N 117 
ASP   HD2  H N N 118 
ASP   HXT  H N N 119 
CYS   N    N N N 120 
CYS   CA   C N R 121 
CYS   C    C N N 122 
CYS   O    O N N 123 
CYS   CB   C N N 124 
CYS   SG   S N N 125 
CYS   OXT  O N N 126 
CYS   H    H N N 127 
CYS   H2   H N N 128 
CYS   HA   H N N 129 
CYS   HB2  H N N 130 
CYS   HB3  H N N 131 
CYS   HG   H N N 132 
CYS   HXT  H N N 133 
GLN   N    N N N 134 
GLN   CA   C N S 135 
GLN   C    C N N 136 
GLN   O    O N N 137 
GLN   CB   C N N 138 
GLN   CG   C N N 139 
GLN   CD   C N N 140 
GLN   OE1  O N N 141 
GLN   NE2  N N N 142 
GLN   OXT  O N N 143 
GLN   H    H N N 144 
GLN   H2   H N N 145 
GLN   HA   H N N 146 
GLN   HB2  H N N 147 
GLN   HB3  H N N 148 
GLN   HG2  H N N 149 
GLN   HG3  H N N 150 
GLN   HE21 H N N 151 
GLN   HE22 H N N 152 
GLN   HXT  H N N 153 
GLU   N    N N N 154 
GLU   CA   C N S 155 
GLU   C    C N N 156 
GLU   O    O N N 157 
GLU   CB   C N N 158 
GLU   CG   C N N 159 
GLU   CD   C N N 160 
GLU   OE1  O N N 161 
GLU   OE2  O N N 162 
GLU   OXT  O N N 163 
GLU   H    H N N 164 
GLU   H2   H N N 165 
GLU   HA   H N N 166 
GLU   HB2  H N N 167 
GLU   HB3  H N N 168 
GLU   HG2  H N N 169 
GLU   HG3  H N N 170 
GLU   HE2  H N N 171 
GLU   HXT  H N N 172 
GLY   N    N N N 173 
GLY   CA   C N N 174 
GLY   C    C N N 175 
GLY   O    O N N 176 
GLY   OXT  O N N 177 
GLY   H    H N N 178 
GLY   H2   H N N 179 
GLY   HA2  H N N 180 
GLY   HA3  H N N 181 
GLY   HXT  H N N 182 
GOL   C1   C N N 183 
GOL   O1   O N N 184 
GOL   C2   C N N 185 
GOL   O2   O N N 186 
GOL   C3   C N N 187 
GOL   O3   O N N 188 
GOL   H11  H N N 189 
GOL   H12  H N N 190 
GOL   HO1  H N N 191 
GOL   H2   H N N 192 
GOL   HO2  H N N 193 
GOL   H31  H N N 194 
GOL   H32  H N N 195 
GOL   HO3  H N N 196 
HIS   N    N N N 197 
HIS   CA   C N S 198 
HIS   C    C N N 199 
HIS   O    O N N 200 
HIS   CB   C N N 201 
HIS   CG   C Y N 202 
HIS   ND1  N Y N 203 
HIS   CD2  C Y N 204 
HIS   CE1  C Y N 205 
HIS   NE2  N Y N 206 
HIS   OXT  O N N 207 
HIS   H    H N N 208 
HIS   H2   H N N 209 
HIS   HA   H N N 210 
HIS   HB2  H N N 211 
HIS   HB3  H N N 212 
HIS   HD1  H N N 213 
HIS   HD2  H N N 214 
HIS   HE1  H N N 215 
HIS   HE2  H N N 216 
HIS   HXT  H N N 217 
HOH   O    O N N 218 
HOH   H1   H N N 219 
HOH   H2   H N N 220 
ILE   N    N N N 221 
ILE   CA   C N S 222 
ILE   C    C N N 223 
ILE   O    O N N 224 
ILE   CB   C N S 225 
ILE   CG1  C N N 226 
ILE   CG2  C N N 227 
ILE   CD1  C N N 228 
ILE   OXT  O N N 229 
ILE   H    H N N 230 
ILE   H2   H N N 231 
ILE   HA   H N N 232 
ILE   HB   H N N 233 
ILE   HG12 H N N 234 
ILE   HG13 H N N 235 
ILE   HG21 H N N 236 
ILE   HG22 H N N 237 
ILE   HG23 H N N 238 
ILE   HD11 H N N 239 
ILE   HD12 H N N 240 
ILE   HD13 H N N 241 
ILE   HXT  H N N 242 
LEU   N    N N N 243 
LEU   CA   C N S 244 
LEU   C    C N N 245 
LEU   O    O N N 246 
LEU   CB   C N N 247 
LEU   CG   C N N 248 
LEU   CD1  C N N 249 
LEU   CD2  C N N 250 
LEU   OXT  O N N 251 
LEU   H    H N N 252 
LEU   H2   H N N 253 
LEU   HA   H N N 254 
LEU   HB2  H N N 255 
LEU   HB3  H N N 256 
LEU   HG   H N N 257 
LEU   HD11 H N N 258 
LEU   HD12 H N N 259 
LEU   HD13 H N N 260 
LEU   HD21 H N N 261 
LEU   HD22 H N N 262 
LEU   HD23 H N N 263 
LEU   HXT  H N N 264 
LYS   N    N N N 265 
LYS   CA   C N S 266 
LYS   C    C N N 267 
LYS   O    O N N 268 
LYS   CB   C N N 269 
LYS   CG   C N N 270 
LYS   CD   C N N 271 
LYS   CE   C N N 272 
LYS   NZ   N N N 273 
LYS   OXT  O N N 274 
LYS   H    H N N 275 
LYS   H2   H N N 276 
LYS   HA   H N N 277 
LYS   HB2  H N N 278 
LYS   HB3  H N N 279 
LYS   HG2  H N N 280 
LYS   HG3  H N N 281 
LYS   HD2  H N N 282 
LYS   HD3  H N N 283 
LYS   HE2  H N N 284 
LYS   HE3  H N N 285 
LYS   HZ1  H N N 286 
LYS   HZ2  H N N 287 
LYS   HZ3  H N N 288 
LYS   HXT  H N N 289 
MET   N    N N N 290 
MET   CA   C N S 291 
MET   C    C N N 292 
MET   O    O N N 293 
MET   CB   C N N 294 
MET   CG   C N N 295 
MET   SD   S N N 296 
MET   CE   C N N 297 
MET   OXT  O N N 298 
MET   H    H N N 299 
MET   H2   H N N 300 
MET   HA   H N N 301 
MET   HB2  H N N 302 
MET   HB3  H N N 303 
MET   HG2  H N N 304 
MET   HG3  H N N 305 
MET   HE1  H N N 306 
MET   HE2  H N N 307 
MET   HE3  H N N 308 
MET   HXT  H N N 309 
PHE   N    N N N 310 
PHE   CA   C N S 311 
PHE   C    C N N 312 
PHE   O    O N N 313 
PHE   CB   C N N 314 
PHE   CG   C Y N 315 
PHE   CD1  C Y N 316 
PHE   CD2  C Y N 317 
PHE   CE1  C Y N 318 
PHE   CE2  C Y N 319 
PHE   CZ   C Y N 320 
PHE   OXT  O N N 321 
PHE   H    H N N 322 
PHE   H2   H N N 323 
PHE   HA   H N N 324 
PHE   HB2  H N N 325 
PHE   HB3  H N N 326 
PHE   HD1  H N N 327 
PHE   HD2  H N N 328 
PHE   HE1  H N N 329 
PHE   HE2  H N N 330 
PHE   HZ   H N N 331 
PHE   HXT  H N N 332 
PRO   N    N N N 333 
PRO   CA   C N S 334 
PRO   C    C N N 335 
PRO   O    O N N 336 
PRO   CB   C N N 337 
PRO   CG   C N N 338 
PRO   CD   C N N 339 
PRO   OXT  O N N 340 
PRO   H    H N N 341 
PRO   HA   H N N 342 
PRO   HB2  H N N 343 
PRO   HB3  H N N 344 
PRO   HG2  H N N 345 
PRO   HG3  H N N 346 
PRO   HD2  H N N 347 
PRO   HD3  H N N 348 
PRO   HXT  H N N 349 
SER   N    N N N 350 
SER   CA   C N S 351 
SER   C    C N N 352 
SER   O    O N N 353 
SER   CB   C N N 354 
SER   OG   O N N 355 
SER   OXT  O N N 356 
SER   H    H N N 357 
SER   H2   H N N 358 
SER   HA   H N N 359 
SER   HB2  H N N 360 
SER   HB3  H N N 361 
SER   HG   H N N 362 
SER   HXT  H N N 363 
SO4   S    S N N 364 
SO4   O1   O N N 365 
SO4   O2   O N N 366 
SO4   O3   O N N 367 
SO4   O4   O N N 368 
THR   N    N N N 369 
THR   CA   C N S 370 
THR   C    C N N 371 
THR   O    O N N 372 
THR   CB   C N R 373 
THR   OG1  O N N 374 
THR   CG2  C N N 375 
THR   OXT  O N N 376 
THR   H    H N N 377 
THR   H2   H N N 378 
THR   HA   H N N 379 
THR   HB   H N N 380 
THR   HG1  H N N 381 
THR   HG21 H N N 382 
THR   HG22 H N N 383 
THR   HG23 H N N 384 
THR   HXT  H N N 385 
TRP   N    N N N 386 
TRP   CA   C N S 387 
TRP   C    C N N 388 
TRP   O    O N N 389 
TRP   CB   C N N 390 
TRP   CG   C Y N 391 
TRP   CD1  C Y N 392 
TRP   CD2  C Y N 393 
TRP   NE1  N Y N 394 
TRP   CE2  C Y N 395 
TRP   CE3  C Y N 396 
TRP   CZ2  C Y N 397 
TRP   CZ3  C Y N 398 
TRP   CH2  C Y N 399 
TRP   OXT  O N N 400 
TRP   H    H N N 401 
TRP   H2   H N N 402 
TRP   HA   H N N 403 
TRP   HB2  H N N 404 
TRP   HB3  H N N 405 
TRP   HD1  H N N 406 
TRP   HE1  H N N 407 
TRP   HE3  H N N 408 
TRP   HZ2  H N N 409 
TRP   HZ3  H N N 410 
TRP   HH2  H N N 411 
TRP   HXT  H N N 412 
TYR   N    N N N 413 
TYR   CA   C N S 414 
TYR   C    C N N 415 
TYR   O    O N N 416 
TYR   CB   C N N 417 
TYR   CG   C Y N 418 
TYR   CD1  C Y N 419 
TYR   CD2  C Y N 420 
TYR   CE1  C Y N 421 
TYR   CE2  C Y N 422 
TYR   CZ   C Y N 423 
TYR   OH   O N N 424 
TYR   OXT  O N N 425 
TYR   H    H N N 426 
TYR   H2   H N N 427 
TYR   HA   H N N 428 
TYR   HB2  H N N 429 
TYR   HB3  H N N 430 
TYR   HD1  H N N 431 
TYR   HD2  H N N 432 
TYR   HE1  H N N 433 
TYR   HE2  H N N 434 
TYR   HH   H N N 435 
TYR   HXT  H N N 436 
VAL   N    N N N 437 
VAL   CA   C N S 438 
VAL   C    C N N 439 
VAL   O    O N N 440 
VAL   CB   C N N 441 
VAL   CG1  C N N 442 
VAL   CG2  C N N 443 
VAL   OXT  O N N 444 
VAL   H    H N N 445 
VAL   H2   H N N 446 
VAL   HA   H N N 447 
VAL   HB   H N N 448 
VAL   HG11 H N N 449 
VAL   HG12 H N N 450 
VAL   HG13 H N N 451 
VAL   HG21 H N N 452 
VAL   HG22 H N N 453 
VAL   HG23 H N N 454 
VAL   HXT  H N N 455 
# 
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 
A1IOW C1  C2   sing N N 1   
A1IOW C3  C2   sing N N 2   
A1IOW C2  C4   sing N N 3   
A1IOW C4  C5   sing N N 4   
A1IOW C4  O1   sing N N 5   
A1IOW C4  C10  sing N N 6   
A1IOW C5  C6   sing N N 7   
A1IOW C6  C7   sing N N 8   
A1IOW C8  C7   sing N N 9   
A1IOW O1  C7   sing N N 10  
A1IOW C7  C9   sing N N 11  
A1IOW C10 C9   sing N N 12  
A1IOW C9  O2   sing N N 13  
A1IOW O2  C11  sing N N 14  
A1IOW C11 C12  sing N N 15  
A1IOW C12 C13  doub Y N 16  
A1IOW C12 C17  sing Y N 17  
A1IOW C13 C14  sing Y N 18  
A1IOW C14 C15  doub Y N 19  
A1IOW C15 C16  sing Y N 20  
A1IOW C16 C17  doub Y N 21  
A1IOW C17 C18  sing N N 22  
A1IOW C18 H25  sing N N 23  
A1IOW C18 H24  sing N N 24  
A1IOW C18 H26  sing N N 25  
A1IOW C16 H23  sing N N 26  
A1IOW C15 H22  sing N N 27  
A1IOW C14 H21  sing N N 28  
A1IOW C13 H20  sing N N 29  
A1IOW C11 H19  sing N N 30  
A1IOW C11 H18  sing N N 31  
A1IOW C9  H15  sing N N 32  
A1IOW C8  H12  sing N N 33  
A1IOW C8  H13  sing N N 34  
A1IOW C8  H14  sing N N 35  
A1IOW C6  H11  sing N N 36  
A1IOW C6  H10  sing N N 37  
A1IOW C5  H9   sing N N 38  
A1IOW C5  H8   sing N N 39  
A1IOW C10 H16  sing N N 40  
A1IOW C10 H17  sing N N 41  
A1IOW C2  H4   sing N N 42  
A1IOW C3  H7   sing N N 43  
A1IOW C3  H6   sing N N 44  
A1IOW C3  H5   sing N N 45  
A1IOW C1  H2   sing N N 46  
A1IOW C1  H3   sing N N 47  
A1IOW C1  H1   sing N N 48  
ALA   N   CA   sing N N 49  
ALA   N   H    sing N N 50  
ALA   N   H2   sing N N 51  
ALA   CA  C    sing N N 52  
ALA   CA  CB   sing N N 53  
ALA   CA  HA   sing N N 54  
ALA   C   O    doub N N 55  
ALA   C   OXT  sing N N 56  
ALA   CB  HB1  sing N N 57  
ALA   CB  HB2  sing N N 58  
ALA   CB  HB3  sing N N 59  
ALA   OXT HXT  sing N N 60  
ARG   N   CA   sing N N 61  
ARG   N   H    sing N N 62  
ARG   N   H2   sing N N 63  
ARG   CA  C    sing N N 64  
ARG   CA  CB   sing N N 65  
ARG   CA  HA   sing N N 66  
ARG   C   O    doub N N 67  
ARG   C   OXT  sing N N 68  
ARG   CB  CG   sing N N 69  
ARG   CB  HB2  sing N N 70  
ARG   CB  HB3  sing N N 71  
ARG   CG  CD   sing N N 72  
ARG   CG  HG2  sing N N 73  
ARG   CG  HG3  sing N N 74  
ARG   CD  NE   sing N N 75  
ARG   CD  HD2  sing N N 76  
ARG   CD  HD3  sing N N 77  
ARG   NE  CZ   sing N N 78  
ARG   NE  HE   sing N N 79  
ARG   CZ  NH1  sing N N 80  
ARG   CZ  NH2  doub N N 81  
ARG   NH1 HH11 sing N N 82  
ARG   NH1 HH12 sing N N 83  
ARG   NH2 HH21 sing N N 84  
ARG   NH2 HH22 sing N N 85  
ARG   OXT HXT  sing N N 86  
ASN   N   CA   sing N N 87  
ASN   N   H    sing N N 88  
ASN   N   H2   sing N N 89  
ASN   CA  C    sing N N 90  
ASN   CA  CB   sing N N 91  
ASN   CA  HA   sing N N 92  
ASN   C   O    doub N N 93  
ASN   C   OXT  sing N N 94  
ASN   CB  CG   sing N N 95  
ASN   CB  HB2  sing N N 96  
ASN   CB  HB3  sing N N 97  
ASN   CG  OD1  doub N N 98  
ASN   CG  ND2  sing N N 99  
ASN   ND2 HD21 sing N N 100 
ASN   ND2 HD22 sing N N 101 
ASN   OXT HXT  sing N N 102 
ASP   N   CA   sing N N 103 
ASP   N   H    sing N N 104 
ASP   N   H2   sing N N 105 
ASP   CA  C    sing N N 106 
ASP   CA  CB   sing N N 107 
ASP   CA  HA   sing N N 108 
ASP   C   O    doub N N 109 
ASP   C   OXT  sing N N 110 
ASP   CB  CG   sing N N 111 
ASP   CB  HB2  sing N N 112 
ASP   CB  HB3  sing N N 113 
ASP   CG  OD1  doub N N 114 
ASP   CG  OD2  sing N N 115 
ASP   OD2 HD2  sing N N 116 
ASP   OXT HXT  sing N N 117 
CYS   N   CA   sing N N 118 
CYS   N   H    sing N N 119 
CYS   N   H2   sing N N 120 
CYS   CA  C    sing N N 121 
CYS   CA  CB   sing N N 122 
CYS   CA  HA   sing N N 123 
CYS   C   O    doub N N 124 
CYS   C   OXT  sing N N 125 
CYS   CB  SG   sing N N 126 
CYS   CB  HB2  sing N N 127 
CYS   CB  HB3  sing N N 128 
CYS   SG  HG   sing N N 129 
CYS   OXT HXT  sing N N 130 
GLN   N   CA   sing N N 131 
GLN   N   H    sing N N 132 
GLN   N   H2   sing N N 133 
GLN   CA  C    sing N N 134 
GLN   CA  CB   sing N N 135 
GLN   CA  HA   sing N N 136 
GLN   C   O    doub N N 137 
GLN   C   OXT  sing N N 138 
GLN   CB  CG   sing N N 139 
GLN   CB  HB2  sing N N 140 
GLN   CB  HB3  sing N N 141 
GLN   CG  CD   sing N N 142 
GLN   CG  HG2  sing N N 143 
GLN   CG  HG3  sing N N 144 
GLN   CD  OE1  doub N N 145 
GLN   CD  NE2  sing N N 146 
GLN   NE2 HE21 sing N N 147 
GLN   NE2 HE22 sing N N 148 
GLN   OXT HXT  sing N N 149 
GLU   N   CA   sing N N 150 
GLU   N   H    sing N N 151 
GLU   N   H2   sing N N 152 
GLU   CA  C    sing N N 153 
GLU   CA  CB   sing N N 154 
GLU   CA  HA   sing N N 155 
GLU   C   O    doub N N 156 
GLU   C   OXT  sing N N 157 
GLU   CB  CG   sing N N 158 
GLU   CB  HB2  sing N N 159 
GLU   CB  HB3  sing N N 160 
GLU   CG  CD   sing N N 161 
GLU   CG  HG2  sing N N 162 
GLU   CG  HG3  sing N N 163 
GLU   CD  OE1  doub N N 164 
GLU   CD  OE2  sing N N 165 
GLU   OE2 HE2  sing N N 166 
GLU   OXT HXT  sing N N 167 
GLY   N   CA   sing N N 168 
GLY   N   H    sing N N 169 
GLY   N   H2   sing N N 170 
GLY   CA  C    sing N N 171 
GLY   CA  HA2  sing N N 172 
GLY   CA  HA3  sing N N 173 
GLY   C   O    doub N N 174 
GLY   C   OXT  sing N N 175 
GLY   OXT HXT  sing N N 176 
GOL   C1  O1   sing N N 177 
GOL   C1  C2   sing N N 178 
GOL   C1  H11  sing N N 179 
GOL   C1  H12  sing N N 180 
GOL   O1  HO1  sing N N 181 
GOL   C2  O2   sing N N 182 
GOL   C2  C3   sing N N 183 
GOL   C2  H2   sing N N 184 
GOL   O2  HO2  sing N N 185 
GOL   C3  O3   sing N N 186 
GOL   C3  H31  sing N N 187 
GOL   C3  H32  sing N N 188 
GOL   O3  HO3  sing N N 189 
HIS   N   CA   sing N N 190 
HIS   N   H    sing N N 191 
HIS   N   H2   sing N N 192 
HIS   CA  C    sing N N 193 
HIS   CA  CB   sing N N 194 
HIS   CA  HA   sing N N 195 
HIS   C   O    doub N N 196 
HIS   C   OXT  sing N N 197 
HIS   CB  CG   sing N N 198 
HIS   CB  HB2  sing N N 199 
HIS   CB  HB3  sing N N 200 
HIS   CG  ND1  sing Y N 201 
HIS   CG  CD2  doub Y N 202 
HIS   ND1 CE1  doub Y N 203 
HIS   ND1 HD1  sing N N 204 
HIS   CD2 NE2  sing Y N 205 
HIS   CD2 HD2  sing N N 206 
HIS   CE1 NE2  sing Y N 207 
HIS   CE1 HE1  sing N N 208 
HIS   NE2 HE2  sing N N 209 
HIS   OXT HXT  sing N N 210 
HOH   O   H1   sing N N 211 
HOH   O   H2   sing N N 212 
ILE   N   CA   sing N N 213 
ILE   N   H    sing N N 214 
ILE   N   H2   sing N N 215 
ILE   CA  C    sing N N 216 
ILE   CA  CB   sing N N 217 
ILE   CA  HA   sing N N 218 
ILE   C   O    doub N N 219 
ILE   C   OXT  sing N N 220 
ILE   CB  CG1  sing N N 221 
ILE   CB  CG2  sing N N 222 
ILE   CB  HB   sing N N 223 
ILE   CG1 CD1  sing N N 224 
ILE   CG1 HG12 sing N N 225 
ILE   CG1 HG13 sing N N 226 
ILE   CG2 HG21 sing N N 227 
ILE   CG2 HG22 sing N N 228 
ILE   CG2 HG23 sing N N 229 
ILE   CD1 HD11 sing N N 230 
ILE   CD1 HD12 sing N N 231 
ILE   CD1 HD13 sing N N 232 
ILE   OXT HXT  sing N N 233 
LEU   N   CA   sing N N 234 
LEU   N   H    sing N N 235 
LEU   N   H2   sing N N 236 
LEU   CA  C    sing N N 237 
LEU   CA  CB   sing N N 238 
LEU   CA  HA   sing N N 239 
LEU   C   O    doub N N 240 
LEU   C   OXT  sing N N 241 
LEU   CB  CG   sing N N 242 
LEU   CB  HB2  sing N N 243 
LEU   CB  HB3  sing N N 244 
LEU   CG  CD1  sing N N 245 
LEU   CG  CD2  sing N N 246 
LEU   CG  HG   sing N N 247 
LEU   CD1 HD11 sing N N 248 
LEU   CD1 HD12 sing N N 249 
LEU   CD1 HD13 sing N N 250 
LEU   CD2 HD21 sing N N 251 
LEU   CD2 HD22 sing N N 252 
LEU   CD2 HD23 sing N N 253 
LEU   OXT HXT  sing N N 254 
LYS   N   CA   sing N N 255 
LYS   N   H    sing N N 256 
LYS   N   H2   sing N N 257 
LYS   CA  C    sing N N 258 
LYS   CA  CB   sing N N 259 
LYS   CA  HA   sing N N 260 
LYS   C   O    doub N N 261 
LYS   C   OXT  sing N N 262 
LYS   CB  CG   sing N N 263 
LYS   CB  HB2  sing N N 264 
LYS   CB  HB3  sing N N 265 
LYS   CG  CD   sing N N 266 
LYS   CG  HG2  sing N N 267 
LYS   CG  HG3  sing N N 268 
LYS   CD  CE   sing N N 269 
LYS   CD  HD2  sing N N 270 
LYS   CD  HD3  sing N N 271 
LYS   CE  NZ   sing N N 272 
LYS   CE  HE2  sing N N 273 
LYS   CE  HE3  sing N N 274 
LYS   NZ  HZ1  sing N N 275 
LYS   NZ  HZ2  sing N N 276 
LYS   NZ  HZ3  sing N N 277 
LYS   OXT HXT  sing N N 278 
MET   N   CA   sing N N 279 
MET   N   H    sing N N 280 
MET   N   H2   sing N N 281 
MET   CA  C    sing N N 282 
MET   CA  CB   sing N N 283 
MET   CA  HA   sing N N 284 
MET   C   O    doub N N 285 
MET   C   OXT  sing N N 286 
MET   CB  CG   sing N N 287 
MET   CB  HB2  sing N N 288 
MET   CB  HB3  sing N N 289 
MET   CG  SD   sing N N 290 
MET   CG  HG2  sing N N 291 
MET   CG  HG3  sing N N 292 
MET   SD  CE   sing N N 293 
MET   CE  HE1  sing N N 294 
MET   CE  HE2  sing N N 295 
MET   CE  HE3  sing N N 296 
MET   OXT HXT  sing N N 297 
PHE   N   CA   sing N N 298 
PHE   N   H    sing N N 299 
PHE   N   H2   sing N N 300 
PHE   CA  C    sing N N 301 
PHE   CA  CB   sing N N 302 
PHE   CA  HA   sing N N 303 
PHE   C   O    doub N N 304 
PHE   C   OXT  sing N N 305 
PHE   CB  CG   sing N N 306 
PHE   CB  HB2  sing N N 307 
PHE   CB  HB3  sing N N 308 
PHE   CG  CD1  doub Y N 309 
PHE   CG  CD2  sing Y N 310 
PHE   CD1 CE1  sing Y N 311 
PHE   CD1 HD1  sing N N 312 
PHE   CD2 CE2  doub Y N 313 
PHE   CD2 HD2  sing N N 314 
PHE   CE1 CZ   doub Y N 315 
PHE   CE1 HE1  sing N N 316 
PHE   CE2 CZ   sing Y N 317 
PHE   CE2 HE2  sing N N 318 
PHE   CZ  HZ   sing N N 319 
PHE   OXT HXT  sing N N 320 
PRO   N   CA   sing N N 321 
PRO   N   CD   sing N N 322 
PRO   N   H    sing N N 323 
PRO   CA  C    sing N N 324 
PRO   CA  CB   sing N N 325 
PRO   CA  HA   sing N N 326 
PRO   C   O    doub N N 327 
PRO   C   OXT  sing N N 328 
PRO   CB  CG   sing N N 329 
PRO   CB  HB2  sing N N 330 
PRO   CB  HB3  sing N N 331 
PRO   CG  CD   sing N N 332 
PRO   CG  HG2  sing N N 333 
PRO   CG  HG3  sing N N 334 
PRO   CD  HD2  sing N N 335 
PRO   CD  HD3  sing N N 336 
PRO   OXT HXT  sing N N 337 
SER   N   CA   sing N N 338 
SER   N   H    sing N N 339 
SER   N   H2   sing N N 340 
SER   CA  C    sing N N 341 
SER   CA  CB   sing N N 342 
SER   CA  HA   sing N N 343 
SER   C   O    doub N N 344 
SER   C   OXT  sing N N 345 
SER   CB  OG   sing N N 346 
SER   CB  HB2  sing N N 347 
SER   CB  HB3  sing N N 348 
SER   OG  HG   sing N N 349 
SER   OXT HXT  sing N N 350 
SO4   S   O1   doub N N 351 
SO4   S   O2   doub N N 352 
SO4   S   O3   sing N N 353 
SO4   S   O4   sing N N 354 
THR   N   CA   sing N N 355 
THR   N   H    sing N N 356 
THR   N   H2   sing N N 357 
THR   CA  C    sing N N 358 
THR   CA  CB   sing N N 359 
THR   CA  HA   sing N N 360 
THR   C   O    doub N N 361 
THR   C   OXT  sing N N 362 
THR   CB  OG1  sing N N 363 
THR   CB  CG2  sing N N 364 
THR   CB  HB   sing N N 365 
THR   OG1 HG1  sing N N 366 
THR   CG2 HG21 sing N N 367 
THR   CG2 HG22 sing N N 368 
THR   CG2 HG23 sing N N 369 
THR   OXT HXT  sing N N 370 
TRP   N   CA   sing N N 371 
TRP   N   H    sing N N 372 
TRP   N   H2   sing N N 373 
TRP   CA  C    sing N N 374 
TRP   CA  CB   sing N N 375 
TRP   CA  HA   sing N N 376 
TRP   C   O    doub N N 377 
TRP   C   OXT  sing N N 378 
TRP   CB  CG   sing N N 379 
TRP   CB  HB2  sing N N 380 
TRP   CB  HB3  sing N N 381 
TRP   CG  CD1  doub Y N 382 
TRP   CG  CD2  sing Y N 383 
TRP   CD1 NE1  sing Y N 384 
TRP   CD1 HD1  sing N N 385 
TRP   CD2 CE2  doub Y N 386 
TRP   CD2 CE3  sing Y N 387 
TRP   NE1 CE2  sing Y N 388 
TRP   NE1 HE1  sing N N 389 
TRP   CE2 CZ2  sing Y N 390 
TRP   CE3 CZ3  doub Y N 391 
TRP   CE3 HE3  sing N N 392 
TRP   CZ2 CH2  doub Y N 393 
TRP   CZ2 HZ2  sing N N 394 
TRP   CZ3 CH2  sing Y N 395 
TRP   CZ3 HZ3  sing N N 396 
TRP   CH2 HH2  sing N N 397 
TRP   OXT HXT  sing N N 398 
TYR   N   CA   sing N N 399 
TYR   N   H    sing N N 400 
TYR   N   H2   sing N N 401 
TYR   CA  C    sing N N 402 
TYR   CA  CB   sing N N 403 
TYR   CA  HA   sing N N 404 
TYR   C   O    doub N N 405 
TYR   C   OXT  sing N N 406 
TYR   CB  CG   sing N N 407 
TYR   CB  HB2  sing N N 408 
TYR   CB  HB3  sing N N 409 
TYR   CG  CD1  doub Y N 410 
TYR   CG  CD2  sing Y N 411 
TYR   CD1 CE1  sing Y N 412 
TYR   CD1 HD1  sing N N 413 
TYR   CD2 CE2  doub Y N 414 
TYR   CD2 HD2  sing N N 415 
TYR   CE1 CZ   doub Y N 416 
TYR   CE1 HE1  sing N N 417 
TYR   CE2 CZ   sing Y N 418 
TYR   CE2 HE2  sing N N 419 
TYR   CZ  OH   sing N N 420 
TYR   OH  HH   sing N N 421 
TYR   OXT HXT  sing N N 422 
VAL   N   CA   sing N N 423 
VAL   N   H    sing N N 424 
VAL   N   H2   sing N N 425 
VAL   CA  C    sing N N 426 
VAL   CA  CB   sing N N 427 
VAL   CA  HA   sing N N 428 
VAL   C   O    doub N N 429 
VAL   C   OXT  sing N N 430 
VAL   CB  CG1  sing N N 431 
VAL   CB  CG2  sing N N 432 
VAL   CB  HB   sing N N 433 
VAL   CG1 HG11 sing N N 434 
VAL   CG1 HG12 sing N N 435 
VAL   CG1 HG13 sing N N 436 
VAL   CG2 HG21 sing N N 437 
VAL   CG2 HG22 sing N N 438 
VAL   CG2 HG23 sing N N 439 
VAL   OXT HXT  sing N N 440 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_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   2OWN 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GRR 
_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]   0.010160 
_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]   0.010160 
_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]   0.007926 
_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  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.031   
# 
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   . GLY   A 1 2   ? -34.040 -21.820 25.425 1.000 25.449 ? 75  GLY   AaA N   1 ? 
ATOM   2    C CA  . GLY   A 1 2   ? -34.044 -21.693 23.954 1.000 22.276 ? 75  GLY   AaA CA  1 ? 
ATOM   3    C C   . GLY   A 1 2   ? -35.417 -22.020 23.425 1.000 22.096 ? 75  GLY   AaA C   1 ? 
ATOM   4    O O   . GLY   A 1 2   ? -36.325 -22.435 24.198 1.000 22.552 ? 75  GLY   AaA O   1 ? 
ATOM   5    N N   . SER   A 1 3   ? -35.543 -21.905 22.116 1.000 19.372 ? 76  SER   AaA N   1 ? 
ATOM   6    C CA  A SER   A 1 3   ? -36.862 -22.078 21.463 0.500 21.430 ? 76  SER   AaA CA  1 ? 
ATOM   7    C CA  B SER   A 1 3   ? -36.866 -22.014 21.453 0.500 20.543 ? 76  SER   AaA CA  1 ? 
ATOM   8    C C   . SER   A 1 3   ? -36.708 -22.276 19.959 1.000 19.783 ? 76  SER   AaA C   1 ? 
ATOM   9    O O   . SER   A 1 3   ? -35.758 -21.765 19.366 1.000 19.486 ? 76  SER   AaA O   1 ? 
ATOM   10   C CB  A SER   A 1 3   ? -37.770 -20.908 21.752 0.500 22.258 ? 76  SER   AaA CB  1 ? 
ATOM   11   C CB  B SER   A 1 3   ? -37.662 -20.755 21.658 0.500 19.629 ? 76  SER   AaA CB  1 ? 
ATOM   12   O OG  A SER   A 1 3   ? -37.294 -19.711 21.159 0.500 25.332 ? 76  SER   AaA OG  1 ? 
ATOM   13   O OG  B SER   A 1 3   ? -38.983 -20.902 21.144 0.500 21.986 ? 76  SER   AaA OG  1 ? 
ATOM   14   N N   . LEU   A 1 4   ? -37.707 -22.936 19.400 1.000 19.238 ? 77  LEU   AaA N   1 ? 
ATOM   15   C CA  . LEU   A 1 4   ? -37.871 -22.888 17.936 1.000 18.553 ? 77  LEU   AaA CA  1 ? 
ATOM   16   C C   . LEU   A 1 4   ? -38.025 -21.437 17.514 1.000 20.310 ? 77  LEU   AaA C   1 ? 
ATOM   17   O O   . LEU   A 1 4   ? -38.642 -20.613 18.246 1.000 21.528 ? 77  LEU   AaA O   1 ? 
ATOM   18   C CB  . LEU   A 1 4   ? -39.124 -23.673 17.553 1.000 19.459 ? 77  LEU   AaA CB  1 ? 
ATOM   19   C CG  . LEU   A 1 4   ? -39.013 -25.190 17.653 1.000 19.704 ? 77  LEU   AaA CG  1 ? 
ATOM   20   C CD1 . LEU   A 1 4   ? -40.389 -25.830 17.554 1.000 22.582 ? 77  LEU   AaA CD1 1 ? 
ATOM   21   C CD2 . LEU   A 1 4   ? -38.104 -25.745 16.578 1.000 20.548 ? 77  LEU   AaA CD2 1 ? 
ATOM   22   N N   . THR   A 1 5   ? -37.543 -21.114 16.332 1.000 19.569 ? 78  THR   AaA N   1 ? 
ATOM   23   C CA  . THR   A 1 5   ? -37.779 -19.811 15.696 1.000 20.317 ? 78  THR   AaA CA  1 ? 
ATOM   24   C C   . THR   A 1 5   ? -39.232 -19.749 15.198 1.000 21.510 ? 78  THR   AaA C   1 ? 
ATOM   25   O O   . THR   A 1 5   ? -39.968 -20.742 15.235 1.000 21.211 ? 78  THR   AaA O   1 ? 
ATOM   26   C CB  . THR   A 1 5   ? -36.766 -19.588 14.570 1.000 22.570 ? 78  THR   AaA CB  1 ? 
ATOM   27   O OG1 . THR   A 1 5   ? -36.897 -20.690 13.655 1.000 21.995 ? 78  THR   AaA OG1 1 ? 
ATOM   28   C CG2 . THR   A 1 5   ? -35.347 -19.461 15.076 1.000 23.552 ? 78  THR   AaA CG2 1 ? 
ATOM   29   N N   . GLU   A 1 6   ? -39.645 -18.544 14.828 1.000 23.128 ? 79  GLU   AaA N   1 ? 
ATOM   30   C CA  . GLU   A 1 6   ? -41.014 -18.213 14.360 1.000 26.704 ? 79  GLU   AaA CA  1 ? 
ATOM   31   C C   . GLU   A 1 6   ? -41.517 -19.253 13.338 1.000 23.669 ? 79  GLU   AaA C   1 ? 
ATOM   32   O O   . GLU   A 1 6   ? -42.670 -19.803 13.505 1.000 24.449 ? 79  GLU   AaA O   1 ? 
ATOM   33   C CB  . GLU   A 1 6   ? -40.892 -16.806 13.775 1.000 32.565 ? 79  GLU   AaA CB  1 ? 
ATOM   34   C CG  . GLU   A 1 6   ? -42.110 -16.307 13.047 1.000 37.125 ? 79  GLU   AaA CG  1 ? 
ATOM   35   C CD  . GLU   A 1 6   ? -43.219 -15.820 13.960 1.000 43.285 ? 79  GLU   AaA CD  1 ? 
ATOM   36   O OE1 . GLU   A 1 6   ? -44.180 -15.218 13.434 1.000 48.604 ? 79  GLU   AaA OE1 1 ? 
ATOM   37   O OE2 . GLU   A 1 6   ? -43.130 -16.047 15.192 1.000 43.942 ? 79  GLU   AaA OE2 1 ? 
ATOM   38   N N   . ASP   A 1 7   ? -40.689 -19.546 12.337 1.000 22.190 ? 80  ASP   AaA N   1 ? 
ATOM   39   C CA  . ASP   A 1 7   ? -41.105 -20.436 11.227 1.000 19.498 ? 80  ASP   AaA CA  1 ? 
ATOM   40   C C   . ASP   A 1 7   ? -41.028 -21.914 11.614 1.000 18.491 ? 80  ASP   AaA C   1 ? 
ATOM   41   O O   . ASP   A 1 7   ? -41.423 -22.740 10.801 1.000 18.512 ? 80  ASP   AaA O   1 ? 
ATOM   42   C CB  . ASP   A 1 7   ? -40.358 -20.174 9.924  1.000 19.541 ? 80  ASP   AaA CB  1 ? 
ATOM   43   C CG  . ASP   A 1 7   ? -38.894 -20.600 9.884  1.000 21.795 ? 80  ASP   AaA CG  1 ? 
ATOM   44   O OD1 . ASP   A 1 7   ? -38.362 -21.129 10.924 1.000 19.909 ? 80  ASP   AaA OD1 1 ? 
ATOM   45   O OD2 . ASP   A 1 7   ? -38.288 -20.381 8.821  1.000 24.347 ? 80  ASP   AaA OD2 1 ? 
ATOM   46   N N   . GLY   A 1 8   ? -40.510 -22.256 12.796 1.000 15.987 ? 81  GLY   AaA N   1 ? 
ATOM   47   C CA  . GLY   A 1 8   ? -40.500 -23.637 13.279 1.000 17.124 ? 81  GLY   AaA CA  1 ? 
ATOM   48   C C   . GLY   A 1 8   ? -39.392 -24.470 12.659 1.000 15.257 ? 81  GLY   AaA C   1 ? 
ATOM   49   O O   . GLY   A 1 8   ? -39.451 -25.684 12.892 1.000 15.555 ? 81  GLY   AaA O   1 ? 
ATOM   50   N N   . LEU   A 1 9   ? -38.493 -23.894 11.862 1.000 15.293 ? 82  LEU   AaA N   1 ? 
ATOM   51   C CA  . LEU   A 1 9   ? -37.521 -24.700 11.079 1.000 15.661 ? 82  LEU   AaA CA  1 ? 
ATOM   52   C C   . LEU   A 1 9   ? -36.088 -24.556 11.587 1.000 15.424 ? 82  LEU   AaA C   1 ? 
ATOM   53   O O   . LEU   A 1 9   ? -35.179 -25.105 10.942 1.000 14.628 ? 82  LEU   AaA O   1 ? 
ATOM   54   C CB  . LEU   A 1 9   ? -37.625 -24.331 9.602  1.000 16.137 ? 82  LEU   AaA CB  1 ? 
ATOM   55   C CG  . LEU   A 1 9   ? -38.984 -24.627 8.982  1.000 16.113 ? 82  LEU   AaA CG  1 ? 
ATOM   56   C CD1 . LEU   A 1 9   ? -38.960 -24.182 7.540  1.000 18.148 ? 82  LEU   AaA CD1 1 ? 
ATOM   57   C CD2 . LEU   A 1 9   ? -39.337 -26.102 9.106  1.000 16.659 ? 82  LEU   AaA CD2 1 ? 
ATOM   58   N N   . SER   A 1 10  ? -35.885 -23.863 12.704 1.000 14.563 ? 83  SER   AaA N   1 ? 
ATOM   59   C CA  . SER   A 1 10  ? -34.561 -23.845 13.354 1.000 15.251 ? 83  SER   AaA CA  1 ? 
ATOM   60   C C   . SER   A 1 10  ? -34.793 -23.538 14.816 1.000 15.302 ? 83  SER   AaA C   1 ? 
ATOM   61   O O   . SER   A 1 10  ? -35.935 -23.261 15.222 1.000 17.601 ? 83  SER   AaA O   1 ? 
ATOM   62   C CB  . SER   A 1 10  ? -33.605 -22.879 12.718 1.000 15.938 ? 83  SER   AaA CB  1 ? 
ATOM   63   O OG  . SER   A 1 10  ? -34.007 -21.548 12.945 1.000 18.309 ? 83  SER   AaA OG  1 ? 
ATOM   64   N N   . TYR   A 1 11  ? -33.739 -23.692 15.606 1.000 14.970 ? 84  TYR   AaA N   1 ? 
ATOM   65   C CA  . TYR   A 1 11  ? -33.821 -23.602 17.077 1.000 16.043 ? 84  TYR   AaA CA  1 ? 
ATOM   66   C C   . TYR   A 1 11  ? -32.642 -22.769 17.539 1.000 16.276 ? 84  TYR   AaA C   1 ? 
ATOM   67   O O   . TYR   A 1 11  ? -31.512 -22.951 17.040 1.000 15.550 ? 84  TYR   AaA O   1 ? 
ATOM   68   C CB  . TYR   A 1 11  ? -33.740 -25.001 17.674 1.000 16.174 ? 84  TYR   AaA CB  1 ? 
ATOM   69   C CG  . TYR   A 1 11  ? -34.032 -25.088 19.149 1.000 17.530 ? 84  TYR   AaA CG  1 ? 
ATOM   70   C CD1 . TYR   A 1 11  ? -35.311 -25.288 19.619 1.000 18.809 ? 84  TYR   AaA CD1 1 ? 
ATOM   71   C CD2 . TYR   A 1 11  ? -33.009 -24.958 20.070 1.000 18.008 ? 84  TYR   AaA CD2 1 ? 
ATOM   72   C CE1 . TYR   A 1 11  ? -35.578 -25.373 20.980 1.000 22.741 ? 84  TYR   AaA CE1 1 ? 
ATOM   73   C CE2 . TYR   A 1 11  ? -33.266 -24.991 21.427 1.000 19.950 ? 84  TYR   AaA CE2 1 ? 
ATOM   74   C CZ  . TYR   A 1 11  ? -34.549 -25.181 21.883 1.000 20.427 ? 84  TYR   AaA CZ  1 ? 
ATOM   75   O OH  . TYR   A 1 11  ? -34.757 -25.239 23.256 1.000 22.307 ? 84  TYR   AaA OH  1 ? 
ATOM   76   N N   . LYS   A 1 12  ? -32.910 -21.836 18.466 1.000 15.795 ? 85  LYS   AaA N   1 ? 
ATOM   77   C CA  . LYS   A 1 12  ? -31.837 -21.001 19.047 1.000 16.468 ? 85  LYS   AaA CA  1 ? 
ATOM   78   C C   . LYS   A 1 12  ? -31.792 -21.186 20.548 1.000 17.160 ? 85  LYS   AaA C   1 ? 
ATOM   79   O O   . LYS   A 1 12  ? -32.829 -21.294 21.168 1.000 19.165 ? 85  LYS   AaA O   1 ? 
ATOM   80   C CB  . LYS   A 1 12  ? -32.131 -19.539 18.749 1.000 18.836 ? 85  LYS   AaA CB  1 ? 
ATOM   81   C CG  . LYS   A 1 12  ? -31.987 -19.135 17.302 1.000 18.865 ? 85  LYS   AaA CG  1 ? 
ATOM   82   C CD  . LYS   A 1 12  ? -32.337 -17.683 17.050 1.000 21.197 ? 85  LYS   AaA CD  1 ? 
ATOM   83   C CE  . LYS   A 1 12  ? -32.180 -17.286 15.607 1.000 25.985 ? 85  LYS   AaA CE  1 ? 
ATOM   84   N NZ  . LYS   A 1 12  ? -32.471 -15.845 15.435 1.000 28.465 ? 85  LYS   AaA NZ  1 ? 
ATOM   85   N N   . GLU   A 1 13  ? -30.570 -21.148 21.086 1.000 16.900 ? 86  GLU   AaA N   1 ? 
ATOM   86   C CA  . GLU   A 1 13  ? -30.376 -21.176 22.553 1.000 17.821 ? 86  GLU   AaA CA  1 ? 
ATOM   87   C C   . GLU   A 1 13  ? -29.161 -20.321 22.905 1.000 16.578 ? 86  GLU   AaA C   1 ? 
ATOM   88   O O   . GLU   A 1 13  ? -28.154 -20.306 22.163 1.000 16.685 ? 86  GLU   AaA O   1 ? 
ATOM   89   C CB  . GLU   A 1 13  ? -30.165 -22.617 22.974 1.000 17.675 ? 86  GLU   AaA CB  1 ? 
ATOM   90   C CG  . GLU   A 1 13  ? -30.049 -22.863 24.465 1.000 18.211 ? 86  GLU   AaA CG  1 ? 
ATOM   91   C CD  . GLU   A 1 13  ? -30.097 -24.325 24.857 1.000 21.566 ? 86  GLU   AaA CD  1 ? 
ATOM   92   O OE1 . GLU   A 1 13  ? -30.288 -25.176 23.992 1.000 23.480 ? 86  GLU   AaA OE1 1 ? 
ATOM   93   O OE2 . GLU   A 1 13  ? -29.928 -24.634 26.065 1.000 23.595 ? 86  GLU   AaA OE2 1 ? 
ATOM   94   N N   . LYS   A 1 14  ? -29.272 -19.625 24.038 1.000 18.641 ? 87  LYS   AaA N   1 ? 
ATOM   95   C CA  . LYS   A 1 14  ? -28.140 -18.849 24.590 1.000 19.523 ? 87  LYS   AaA CA  1 ? 
ATOM   96   C C   . LYS   A 1 14  ? -27.505 -19.607 25.749 1.000 17.689 ? 87  LYS   AaA C   1 ? 
ATOM   97   O O   . LYS   A 1 14  ? -28.199 -20.257 26.532 1.000 19.821 ? 87  LYS   AaA O   1 ? 
ATOM   98   C CB  . LYS   A 1 14  ? -28.617 -17.489 25.097 1.000 21.247 ? 87  LYS   AaA CB  1 ? 
ATOM   99   C CG  . LYS   A 1 14  ? -29.104 -16.569 24.011 1.000 23.977 ? 87  LYS   AaA CG  1 ? 
ATOM   100  C CD  . LYS   A 1 14  ? -29.627 -15.272 24.554 1.000 26.316 ? 87  LYS   AaA CD  1 ? 
ATOM   101  C CE  . LYS   A 1 14  ? -29.981 -14.317 23.449 1.000 31.282 ? 87  LYS   AaA CE  1 ? 
ATOM   102  N NZ  . LYS   A 1 14  ? -30.644 -13.114 24.012 1.000 36.619 ? 87  LYS   AaA NZ  1 ? 
ATOM   103  N N   . PHE   A 1 15  ? -26.197 -19.474 25.821 1.000 18.056 ? 88  PHE   AaA N   1 ? 
ATOM   104  C CA  . PHE   A 1 15  ? -25.398 -20.081 26.921 1.000 19.687 ? 88  PHE   AaA CA  1 ? 
ATOM   105  C C   . PHE   A 1 15  ? -24.490 -19.017 27.514 1.000 18.741 ? 88  PHE   AaA C   1 ? 
ATOM   106  O O   . PHE   A 1 15  ? -23.857 -18.280 26.785 1.000 19.516 ? 88  PHE   AaA O   1 ? 
ATOM   107  C CB  . PHE   A 1 15  ? -24.545 -21.222 26.361 1.000 19.872 ? 88  PHE   AaA CB  1 ? 
ATOM   108  C CG  . PHE   A 1 15  ? -25.333 -22.338 25.741 1.000 18.173 ? 88  PHE   AaA CG  1 ? 
ATOM   109  C CD1 . PHE   A 1 15  ? -25.865 -23.350 26.504 1.000 19.185 ? 88  PHE   AaA CD1 1 ? 
ATOM   110  C CD2 . PHE   A 1 15  ? -25.562 -22.378 24.376 1.000 18.574 ? 88  PHE   AaA CD2 1 ? 
ATOM   111  C CE1 . PHE   A 1 15  ? -26.625 -24.364 25.930 1.000 18.759 ? 88  PHE   AaA CE1 1 ? 
ATOM   112  C CE2 . PHE   A 1 15  ? -26.272 -23.418 23.807 1.000 18.155 ? 88  PHE   AaA CE2 1 ? 
ATOM   113  C CZ  . PHE   A 1 15  ? -26.808 -24.404 24.578 1.000 20.155 ? 88  PHE   AaA CZ  1 ? 
ATOM   114  N N   . VAL   A 1 16  ? -24.431 -18.972 28.852 1.000 20.662 ? 89  VAL   AaA N   1 ? 
ATOM   115  C CA  . VAL   A 1 16  ? -23.466 -18.095 29.569 1.000 22.404 ? 89  VAL   AaA CA  1 ? 
ATOM   116  C C   . VAL   A 1 16  ? -22.252 -18.953 29.895 1.000 17.600 ? 89  VAL   AaA C   1 ? 
ATOM   117  O O   . VAL   A 1 16  ? -22.428 -19.930 30.628 1.000 21.171 ? 89  VAL   AaA O   1 ? 
ATOM   118  C CB  . VAL   A 1 16  ? -24.116 -17.484 30.816 1.000 23.020 ? 89  VAL   AaA CB  1 ? 
ATOM   119  C CG1 . VAL   A 1 16  ? -23.091 -16.682 31.580 1.000 23.928 ? 89  VAL   AaA CG1 1 ? 
ATOM   120  C CG2 . VAL   A 1 16  ? -25.317 -16.621 30.435 1.000 24.063 ? 89  VAL   AaA CG2 1 ? 
ATOM   121  N N   . VAL   A 1 17  ? -21.107 -18.628 29.320 1.000 17.946 ? 90  VAL   AaA N   1 ? 
ATOM   122  C CA  . VAL   A 1 17  ? -19.868 -19.459 29.459 1.000 17.806 ? 90  VAL   AaA CA  1 ? 
ATOM   123  C C   . VAL   A 1 17  ? -19.498 -19.547 30.951 1.000 18.772 ? 90  VAL   AaA C   1 ? 
ATOM   124  O O   . VAL   A 1 17  ? -19.426 -18.486 31.648 1.000 20.491 ? 90  VAL   AaA O   1 ? 
ATOM   125  C CB  . VAL   A 1 17  ? -18.705 -18.947 28.598 1.000 18.590 ? 90  VAL   AaA CB  1 ? 
ATOM   126  C CG1 . VAL   A 1 17  ? -17.478 -19.797 28.798 1.000 18.124 ? 90  VAL   AaA CG1 1 ? 
ATOM   127  C CG2 . VAL   A 1 17  ? -19.043 -18.915 27.111 1.000 18.151 ? 90  VAL   AaA CG2 1 ? 
ATOM   128  N N   . ARG   A 1 18  ? -19.311 -20.754 31.442 1.000 18.134 ? 91  ARG   AaA N   1 ? 
ATOM   129  C CA  . ARG   A 1 18  ? -19.059 -21.018 32.883 1.000 17.294 ? 91  ARG   AaA CA  1 ? 
ATOM   130  C C   . ARG   A 1 18  ? -17.555 -21.084 33.147 1.000 17.716 ? 91  ARG   AaA C   1 ? 
ATOM   131  O O   . ARG   A 1 18  ? -16.746 -21.285 32.234 1.000 18.295 ? 91  ARG   AaA O   1 ? 
ATOM   132  C CB  . ARG   A 1 18  ? -19.736 -22.308 33.303 1.000 17.953 ? 91  ARG   AaA CB  1 ? 
ATOM   133  C CG  . ARG   A 1 18  ? -21.256 -22.266 33.232 1.000 17.518 ? 91  ARG   AaA CG  1 ? 
ATOM   134  C CD  . ARG   A 1 18  ? -21.887 -23.610 33.463 1.000 17.445 ? 91  ARG   AaA CD  1 ? 
ATOM   135  N NE  . ARG   A 1 18  ? -23.316 -23.560 33.301 1.000 17.506 ? 91  ARG   AaA NE  1 ? 
ATOM   136  C CZ  . ARG   A 1 18  ? -24.142 -24.623 33.282 1.000 16.291 ? 91  ARG   AaA CZ  1 ? 
ATOM   137  N NH1 . ARG   A 1 18  ? -23.677 -25.846 33.476 1.000 18.290 ? 91  ARG   AaA NH1 1 ? 
ATOM   138  N NH2 . ARG   A 1 18  ? -25.442 -24.445 33.097 1.000 18.182 ? 91  ARG   AaA NH2 1 ? 
ATOM   139  N N   . SER   A 1 19  ? -17.186 -20.801 34.403 1.000 18.965 ? 92  SER   AaA N   1 ? 
ATOM   140  C CA  . SER   A 1 19  ? -15.768 -20.746 34.825 1.000 19.636 ? 92  SER   AaA CA  1 ? 
ATOM   141  C C   . SER   A 1 19  ? -15.043 -22.041 34.469 1.000 18.112 ? 92  SER   AaA C   1 ? 
ATOM   142  O O   . SER   A 1 19  ? -13.895 -21.984 33.960 1.000 20.139 ? 92  SER   AaA O   1 ? 
ATOM   143  C CB  . SER   A 1 19  ? -15.695 -20.448 36.334 1.000 19.173 ? 92  SER   AaA CB  1 ? 
ATOM   144  O OG  . SER   A 1 19  ? -16.212 -21.506 37.104 1.000 22.844 ? 92  SER   AaA OG  1 ? 
ATOM   145  N N   . TYR   A 1 20  ? -15.697 -23.168 34.706 1.000 19.851 ? 93  TYR   AaA N   1 ? 
ATOM   146  C CA  . TYR   A 1 20  ? -15.057 -24.490 34.563 1.000 19.003 ? 93  TYR   AaA CA  1 ? 
ATOM   147  C C   . TYR   A 1 20  ? -15.056 -24.931 33.098 1.000 19.316 ? 93  TYR   AaA C   1 ? 
ATOM   148  O O   . TYR   A 1 20  ? -14.389 -25.916 32.773 1.000 20.370 ? 93  TYR   AaA O   1 ? 
ATOM   149  C CB  . TYR   A 1 20  ? -15.717 -25.552 35.422 1.000 20.295 ? 93  TYR   AaA CB  1 ? 
ATOM   150  C CG  . TYR   A 1 20  ? -17.151 -25.868 35.111 1.000 19.340 ? 93  TYR   AaA CG  1 ? 
ATOM   151  C CD1 . TYR   A 1 20  ? -17.485 -26.792 34.125 1.000 19.435 ? 93  TYR   AaA CD1 1 ? 
ATOM   152  C CD2 . TYR   A 1 20  ? -18.189 -25.313 35.825 1.000 17.378 ? 93  TYR   AaA CD2 1 ? 
ATOM   153  C CE1 . TYR   A 1 20  ? -18.801 -27.146 33.904 1.000 17.492 ? 93  TYR   AaA CE1 1 ? 
ATOM   154  C CE2 . TYR   A 1 20  ? -19.505 -25.629 35.592 1.000 16.104 ? 93  TYR   AaA CE2 1 ? 
ATOM   155  C CZ  . TYR   A 1 20  ? -19.825 -26.550 34.607 1.000 17.186 ? 93  TYR   AaA CZ  1 ? 
ATOM   156  O OH  . TYR   A 1 20  ? -21.131 -26.848 34.386 1.000 18.052 ? 93  TYR   AaA OH  1 ? 
ATOM   157  N N   . GLU   A 1 21  ? -15.744 -24.196 32.237 1.000 18.912 ? 94  GLU   AaA N   1 ? 
ATOM   158  C CA  . GLU   A 1 21  ? -15.773 -24.481 30.774 1.000 18.608 ? 94  GLU   AaA CA  1 ? 
ATOM   159  C C   . GLU   A 1 21  ? -14.591 -23.870 30.026 1.000 20.185 ? 94  GLU   AaA C   1 ? 
ATOM   160  O O   . GLU   A 1 21  ? -14.482 -24.074 28.800 1.000 18.435 ? 94  GLU   AaA O   1 ? 
ATOM   161  C CB  . GLU   A 1 21  ? -17.088 -23.962 30.178 1.000 19.350 ? 94  GLU   AaA CB  1 ? 
ATOM   162  C CG  . GLU   A 1 21  ? -18.289 -24.794 30.561 1.000 18.754 ? 94  GLU   AaA CG  1 ? 
ATOM   163  C CD  . GLU   A 1 21  ? -19.661 -24.262 30.167 1.000 17.107 ? 94  GLU   AaA CD  1 ? 
ATOM   164  O OE1 . GLU   A 1 21  ? -19.761 -23.085 29.821 1.000 18.311 ? 94  GLU   AaA OE1 1 ? 
ATOM   165  O OE2 . GLU   A 1 21  ? -20.638 -25.067 30.224 1.000 18.599 ? 94  GLU   AaA OE2 1 ? 
ATOM   166  N N   . VAL   A 1 22  ? -13.756 -23.029 30.672 1.000 21.572 ? 95  VAL   AaA N   1 ? 
ATOM   167  C CA  . VAL   A 1 22  ? -12.692 -22.319 29.914 1.000 21.916 ? 95  VAL   AaA CA  1 ? 
ATOM   168  C C   . VAL   A 1 22  ? -11.319 -22.908 30.260 1.000 22.298 ? 95  VAL   AaA C   1 ? 
ATOM   169  O O   . VAL   A 1 22  ? -11.179 -23.467 31.363 1.000 26.258 ? 95  VAL   AaA O   1 ? 
ATOM   170  C CB  . VAL   A 1 22  ? -12.736 -20.787 30.064 1.000 24.975 ? 95  VAL   AaA CB  1 ? 
ATOM   171  C CG1 . VAL   A 1 22  ? -14.150 -20.240 29.849 1.000 25.020 ? 95  VAL   AaA CG1 1 ? 
ATOM   172  C CG2 . VAL   A 1 22  ? -12.147 -20.340 31.383 1.000 25.045 ? 95  VAL   AaA CG2 1 ? 
ATOM   173  N N   . GLY   A 1 23  ? -10.395 -22.744 29.325 1.000 23.169 ? 96  GLY   AaA N   1 ? 
ATOM   174  C CA  . GLY   A 1 23  ? -8.987  -23.186 29.434 1.000 28.100 ? 96  GLY   AaA CA  1 ? 
ATOM   175  C C   . GLY   A 1 23  ? -8.070  -22.026 29.782 1.000 30.824 ? 96  GLY   AaA C   1 ? 
ATOM   176  O O   . GLY   A 1 23  ? -8.562  -21.037 30.346 1.000 28.408 ? 96  GLY   AaA O   1 ? 
ATOM   177  N N   . SER   A 1 24  ? -6.770  -22.142 29.486 1.000 39.844 ? 97  SER   AaA N   1 ? 
ATOM   178  C CA  . SER   A 1 24  ? -5.717  -21.204 29.968 1.000 43.966 ? 97  SER   AaA CA  1 ? 
ATOM   179  C C   . SER   A 1 24  ? -5.960  -19.780 29.457 1.000 43.506 ? 97  SER   AaA C   1 ? 
ATOM   180  O O   . SER   A 1 24  ? -5.718  -18.833 30.238 1.000 48.379 ? 97  SER   AaA O   1 ? 
ATOM   181  C CB  . SER   A 1 24  ? -4.323  -21.686 29.631 1.000 47.018 ? 97  SER   AaA CB  1 ? 
ATOM   182  O OG  . SER   A 1 24  ? -4.135  -21.796 28.230 1.000 54.554 ? 97  SER   AaA OG  1 ? 
ATOM   183  N N   . ASN   A 1 25  ? -6.457  -19.625 28.223 1.000 44.348 ? 98  ASN   AaA N   1 ? 
ATOM   184  C CA  . ASN   A 1 25  ? -6.678  -18.289 27.603 1.000 42.514 ? 98  ASN   AaA CA  1 ? 
ATOM   185  C C   . ASN   A 1 25  ? -7.997  -17.693 28.105 1.000 38.391 ? 98  ASN   AaA C   1 ? 
ATOM   186  O O   . ASN   A 1 25  ? -8.402  -16.631 27.580 1.000 36.566 ? 98  ASN   AaA O   1 ? 
ATOM   187  C CB  . ASN   A 1 25  ? -6.588  -18.315 26.073 1.000 48.547 ? 98  ASN   AaA CB  1 ? 
ATOM   188  C CG  . ASN   A 1 25  ? -7.263  -19.510 25.438 1.000 53.575 ? 98  ASN   AaA CG  1 ? 
ATOM   189  O OD1 . ASN   A 1 25  ? -8.265  -20.013 25.951 1.000 61.798 ? 98  ASN   AaA OD1 1 ? 
ATOM   190  N ND2 . ASN   A 1 25  ? -6.716  -19.977 24.325 1.000 58.014 ? 98  ASN   AaA ND2 1 ? 
ATOM   191  N N   . LYS   A 1 26  ? -8.634  -18.318 29.104 1.000 31.175 ? 99  LYS   AaA N   1 ? 
ATOM   192  C CA  . LYS   A 1 26  ? -9.869  -17.796 29.731 1.000 30.673 ? 99  LYS   AaA CA  1 ? 
ATOM   193  C C   . LYS   A 1 26  ? -10.931 -17.715 28.651 1.000 25.975 ? 99  LYS   AaA C   1 ? 
ATOM   194  O O   . LYS   A 1 26  ? -11.804 -16.844 28.705 1.000 29.437 ? 99  LYS   AaA O   1 ? 
ATOM   195  C CB  . LYS   A 1 26  ? -9.614  -16.438 30.397 1.000 35.815 ? 99  LYS   AaA CB  1 ? 
ATOM   196  C CG  . LYS   A 1 26  ? -8.829  -16.530 31.696 1.000 42.686 ? 99  LYS   AaA CG  1 ? 
ATOM   197  C CD  . LYS   A 1 26  ? -8.516  -15.192 32.359 1.000 45.184 ? 99  LYS   AaA CD  1 ? 
ATOM   198  C CE  . LYS   A 1 26  ? -7.388  -15.326 33.364 1.000 49.403 ? 99  LYS   AaA CE  1 ? 
ATOM   199  N NZ  . LYS   A 1 26  ? -6.692  -14.042 33.621 1.000 52.474 ? 99  LYS   AaA NZ  1 ? 
ATOM   200  N N   . THR   A 1 27  ? -10.878 -18.624 27.678 1.000 23.634 ? 100 THR   AaA N   1 ? 
ATOM   201  C CA  . THR   A 1 27  ? -11.993 -18.749 26.718 1.000 22.245 ? 100 THR   AaA CA  1 ? 
ATOM   202  C C   . THR   A 1 27  ? -12.445 -20.205 26.675 1.000 18.984 ? 100 THR   AaA C   1 ? 
ATOM   203  O O   . THR   A 1 27  ? -11.673 -21.120 27.035 1.000 21.168 ? 100 THR   AaA O   1 ? 
ATOM   204  C CB  . THR   A 1 27  ? -11.624 -18.261 25.324 1.000 22.216 ? 100 THR   AaA CB  1 ? 
ATOM   205  O OG1 . THR   A 1 27  ? -10.559 -19.065 24.853 1.000 23.272 ? 100 THR   AaA OG1 1 ? 
ATOM   206  C CG2 . THR   A 1 27  ? -11.190 -16.806 25.294 1.000 24.383 ? 100 THR   AaA CG2 1 ? 
ATOM   207  N N   . ALA   A 1 28  ? -13.691 -20.382 26.258 1.000 20.076 ? 101 ALA   AaA N   1 ? 
ATOM   208  C CA  . ALA   A 1 28  ? -14.309 -21.728 26.218 1.000 20.289 ? 101 ALA   AaA CA  1 ? 
ATOM   209  C C   . ALA   A 1 28  ? -13.415 -22.694 25.447 1.000 18.933 ? 101 ALA   AaA C   1 ? 
ATOM   210  O O   . ALA   A 1 28  ? -12.928 -22.365 24.375 1.000 20.166 ? 101 ALA   AaA O   1 ? 
ATOM   211  C CB  . ALA   A 1 28  ? -15.682 -21.650 25.604 1.000 20.143 ? 101 ALA   AaA CB  1 ? 
ATOM   212  N N   . THR   A 1 29  ? -13.288 -23.913 25.959 1.000 18.590 ? 102 THR   AaA N   1 ? 
ATOM   213  C CA  . THR   A 1 29  ? -12.546 -24.969 25.220 1.000 18.392 ? 102 THR   AaA CA  1 ? 
ATOM   214  C C   . THR   A 1 29  ? -13.370 -25.445 24.018 1.000 17.126 ? 102 THR   AaA C   1 ? 
ATOM   215  O O   . THR   A 1 29  ? -14.607 -25.292 24.020 1.000 17.547 ? 102 THR   AaA O   1 ? 
ATOM   216  C CB  . THR   A 1 29  ? -12.220 -26.166 26.114 1.000 17.579 ? 102 THR   AaA CB  1 ? 
ATOM   217  O OG1 . THR   A 1 29  ? -13.440 -26.787 26.516 1.000 18.447 ? 102 THR   AaA OG1 1 ? 
ATOM   218  C CG2 . THR   A 1 29  ? -11.433 -25.720 27.331 1.000 20.267 ? 102 THR   AaA CG2 1 ? 
ATOM   219  N N   . VAL   A 1 30  ? -12.721 -26.059 23.060 1.000 18.732 ? 103 VAL   AaA N   1 ? 
ATOM   220  C CA  . VAL   A 1 30  ? -13.467 -26.635 21.910 1.000 18.036 ? 103 VAL   AaA CA  1 ? 
ATOM   221  C C   . VAL   A 1 30  ? -14.319 -27.806 22.415 1.000 16.934 ? 103 VAL   AaA C   1 ? 
ATOM   222  O O   . VAL   A 1 30  ? -15.395 -28.029 21.854 1.000 15.738 ? 103 VAL   AaA O   1 ? 
ATOM   223  C CB  . VAL   A 1 30  ? -12.535 -27.050 20.773 1.000 19.914 ? 103 VAL   AaA CB  1 ? 
ATOM   224  C CG1 . VAL   A 1 30  ? -11.634 -28.208 21.171 1.000 20.369 ? 103 VAL   AaA CG1 1 ? 
ATOM   225  C CG2 . VAL   A 1 30  ? -13.325 -27.346 19.491 1.000 21.549 ? 103 VAL   AaA CG2 1 ? 
ATOM   226  N N   . GLU   A 1 31  ? -13.948 -28.501 23.478 1.000 16.295 ? 104 GLU   AaA N   1 ? 
ATOM   227  C CA  . GLU   A 1 31  ? -14.847 -29.531 24.055 1.000 16.530 ? 104 GLU   AaA CA  1 ? 
ATOM   228  C C   . GLU   A 1 31  ? -16.103 -28.881 24.632 1.000 15.659 ? 104 GLU   AaA C   1 ? 
ATOM   229  O O   . GLU   A 1 31  ? -17.228 -29.415 24.435 1.000 16.052 ? 104 GLU   AaA O   1 ? 
ATOM   230  C CB  . GLU   A 1 31  ? -14.132 -30.378 25.096 1.000 19.359 ? 104 GLU   AaA CB  1 ? 
ATOM   231  C CG  . GLU   A 1 31  ? -12.984 -31.166 24.477 1.000 22.155 ? 104 GLU   AaA CG  1 ? 
ATOM   232  C CD  . GLU   A 1 31  ? -11.622 -30.567 24.793 1.000 28.945 ? 104 GLU   AaA CD  1 ? 
ATOM   233  O OE1 . GLU   A 1 31  ? -11.480 -29.303 24.755 1.000 28.483 ? 104 GLU   AaA OE1 1 ? 
ATOM   234  O OE2 . GLU   A 1 31  ? -10.698 -31.379 25.134 1.000 30.961 ? 104 GLU   AaA OE2 1 ? 
ATOM   235  N N   . THR   A 1 32  ? -15.983 -27.730 25.293 1.000 15.466 ? 105 THR   AaA N   1 ? 
ATOM   236  C CA  . THR   A 1 32  ? -17.196 -27.037 25.755 1.000 16.371 ? 105 THR   AaA CA  1 ? 
ATOM   237  C C   . THR   A 1 32  ? -18.033 -26.713 24.515 1.000 15.165 ? 105 THR   AaA C   1 ? 
ATOM   238  O O   . THR   A 1 32  ? -19.257 -26.944 24.565 1.000 15.591 ? 105 THR   AaA O   1 ? 
ATOM   239  C CB  . THR   A 1 32  ? -16.849 -25.764 26.524 1.000 17.073 ? 105 THR   AaA CB  1 ? 
ATOM   240  O OG1 . THR   A 1 32  ? -16.272 -26.189 27.765 1.000 17.122 ? 105 THR   AaA OG1 1 ? 
ATOM   241  C CG2 . THR   A 1 32  ? -18.064 -24.895 26.782 1.000 17.901 ? 105 THR   AaA CG2 1 ? 
ATOM   242  N N   . ILE   A 1 33  ? -17.435 -26.150 23.485 1.000 15.696 ? 106 ILE   AaA N   1 ? 
ATOM   243  C CA  . ILE   A 1 33  ? -18.229 -25.775 22.291 1.000 16.326 ? 106 ILE   AaA CA  1 ? 
ATOM   244  C C   . ILE   A 1 33  ? -18.922 -27.031 21.770 1.000 14.022 ? 106 ILE   AaA C   1 ? 
ATOM   245  O O   . ILE   A 1 33  ? -20.146 -26.985 21.484 1.000 14.451 ? 106 ILE   AaA O   1 ? 
ATOM   246  C CB  . ILE   A 1 33  ? -17.358 -25.113 21.228 1.000 18.618 ? 106 ILE   AaA CB  1 ? 
ATOM   247  C CG1 . ILE   A 1 33  ? -16.783 -23.774 21.711 1.000 20.624 ? 106 ILE   AaA CG1 1 ? 
ATOM   248  C CG2 . ILE   A 1 33  ? -18.178 -24.975 19.949 1.000 19.199 ? 106 ILE   AaA CG2 1 ? 
ATOM   249  C CD1 . ILE   A 1 33  ? -17.798 -22.738 22.037 1.000 22.723 ? 106 ILE   AaA CD1 1 ? 
ATOM   250  N N   . ALA   A 1 34  ? -18.249 -28.167 21.661 1.000 15.217 ? 107 ALA   AaA N   1 ? 
ATOM   251  C CA  . ALA   A 1 34  ? -18.907 -29.371 21.111 1.000 15.686 ? 107 ALA   AaA CA  1 ? 
ATOM   252  C C   . ALA   A 1 34  ? -20.038 -29.828 22.020 1.000 15.536 ? 107 ALA   AaA C   1 ? 
ATOM   253  O O   . ALA   A 1 34  ? -21.095 -30.276 21.525 1.000 14.911 ? 107 ALA   AaA O   1 ? 
ATOM   254  C CB  . ALA   A 1 34  ? -17.879 -30.452 20.922 1.000 17.688 ? 107 ALA   AaA CB  1 ? 
ATOM   255  N N   . ASN   A 1 35  ? -19.893 -29.715 23.345 1.000 14.515 ? 108 ASN   AaA N   1 ? 
ATOM   256  C CA  . ASN   A 1 35  ? -20.990 -30.054 24.251 1.000 15.583 ? 108 ASN   AaA CA  1 ? 
ATOM   257  C C   . ASN   A 1 35  ? -22.178 -29.130 23.985 1.000 13.860 ? 108 ASN   AaA C   1 ? 
ATOM   258  O O   . ASN   A 1 35  ? -23.320 -29.611 24.031 1.000 15.055 ? 108 ASN   AaA O   1 ? 
ATOM   259  C CB  . ASN   A 1 35  ? -20.551 -29.945 25.716 1.000 18.445 ? 108 ASN   AaA CB  1 ? 
ATOM   260  C CG  . ASN   A 1 35  ? -19.783 -31.150 26.199 1.000 22.315 ? 108 ASN   AaA CG  1 ? 
ATOM   261  O OD1 . ASN   A 1 35  ? -18.823 -30.985 26.975 1.000 28.154 ? 108 ASN   AaA OD1 1 ? 
ATOM   262  N ND2 . ASN   A 1 35  ? -20.230 -32.322 25.844 1.000 18.798 ? 108 ASN   AaA ND2 1 ? 
ATOM   263  N N   . LEU   A 1 36  ? -21.934 -27.837 23.819 1.000 14.937 ? 109 LEU   AaA N   1 ? 
ATOM   264  C CA  . LEU   A 1 36  ? -23.041 -26.890 23.563 1.000 15.266 ? 109 LEU   AaA CA  1 ? 
ATOM   265  C C   . LEU   A 1 36  ? -23.716 -27.228 22.227 1.000 14.646 ? 109 LEU   AaA C   1 ? 
ATOM   266  O O   . LEU   A 1 36  ? -24.979 -27.107 22.166 1.000 15.083 ? 109 LEU   AaA O   1 ? 
ATOM   267  C CB  . LEU   A 1 36  ? -22.552 -25.445 23.558 1.000 14.897 ? 109 LEU   AaA CB  1 ? 
ATOM   268  C CG  . LEU   A 1 36  ? -21.898 -24.953 24.857 1.000 17.023 ? 109 LEU   AaA CG  1 ? 
ATOM   269  C CD1 . LEU   A 1 36  ? -21.603 -23.472 24.702 1.000 18.144 ? 109 LEU   AaA CD1 1 ? 
ATOM   270  C CD2 . LEU   A 1 36  ? -22.760 -25.251 26.052 1.000 18.539 ? 109 LEU   AaA CD2 1 ? 
ATOM   271  N N   . LEU   A 1 37  ? -22.960 -27.606 21.207 1.000 15.086 ? 110 LEU   AaA N   1 ? 
ATOM   272  C CA  . LEU   A 1 37  ? -23.580 -28.006 19.905 1.000 15.075 ? 110 LEU   AaA CA  1 ? 
ATOM   273  C C   . LEU   A 1 37  ? -24.514 -29.184 20.147 1.000 14.668 ? 110 LEU   AaA C   1 ? 
ATOM   274  O O   . LEU   A 1 37  ? -25.664 -29.223 19.640 1.000 15.016 ? 110 LEU   AaA O   1 ? 
ATOM   275  C CB  . LEU   A 1 37  ? -22.530 -28.395 18.877 1.000 15.260 ? 110 LEU   AaA CB  1 ? 
ATOM   276  C CG  . LEU   A 1 37  ? -21.515 -27.324 18.537 1.000 16.699 ? 110 LEU   AaA CG  1 ? 
ATOM   277  C CD1 . LEU   A 1 37  ? -20.585 -27.807 17.424 1.000 19.039 ? 110 LEU   AaA CD1 1 ? 
ATOM   278  C CD2 . LEU   A 1 37  ? -22.165 -26.018 18.141 1.000 16.727 ? 110 LEU   AaA CD2 1 ? 
ATOM   279  N N   . GLN   A 1 38  ? -24.084 -30.190 20.906 1.000 14.707 ? 111 GLN   AaA N   1 ? 
ATOM   280  C CA  . GLN   A 1 38  ? -24.921 -31.369 21.201 1.000 16.079 ? 111 GLN   AaA CA  1 ? 
ATOM   281  C C   . GLN   A 1 38  ? -26.159 -30.935 21.988 1.000 16.371 ? 111 GLN   AaA C   1 ? 
ATOM   282  O O   . GLN   A 1 38  ? -27.280 -31.384 21.672 1.000 15.761 ? 111 GLN   AaA O   1 ? 
ATOM   283  C CB  . GLN   A 1 38  ? -24.114 -32.437 21.968 1.000 19.006 ? 111 GLN   AaA CB  1 ? 
ATOM   284  C CG  . GLN   A 1 38  ? -24.922 -33.686 22.318 1.000 20.095 ? 111 GLN   AaA CG  1 ? 
ATOM   285  C CD  . GLN   A 1 38  ? -25.203 -34.595 21.140 1.000 23.297 ? 111 GLN   AaA CD  1 ? 
ATOM   286  O OE1 . GLN   A 1 38  ? -24.561 -34.525 20.100 1.000 26.020 ? 111 GLN   AaA OE1 1 ? 
ATOM   287  N NE2 . GLN   A 1 38  ? -26.174 -35.483 21.291 1.000 29.545 ? 111 GLN   AaA NE2 1 ? 
ATOM   288  N N   . GLU   A 1 39  ? -26.006 -30.081 23.004 1.000 14.561 ? 112 GLU   AaA N   1 ? 
ATOM   289  C CA  . GLU   A 1 39  ? -27.140 -29.649 23.849 1.000 15.566 ? 112 GLU   AaA CA  1 ? 
ATOM   290  C C   . GLU   A 1 39  ? -28.201 -28.946 22.987 1.000 14.608 ? 112 GLU   AaA C   1 ? 
ATOM   291  O O   . GLU   A 1 39  ? -29.375 -29.274 23.156 1.000 15.352 ? 112 GLU   AaA O   1 ? 
ATOM   292  C CB  . GLU   A 1 39  ? -26.634 -28.762 24.994 1.000 16.459 ? 112 GLU   AaA CB  1 ? 
ATOM   293  C CG  . GLU   A 1 39  ? -27.741 -28.094 25.808 1.000 18.771 ? 112 GLU   AaA CG  1 ? 
ATOM   294  C CD  . GLU   A 1 39  ? -28.643 -28.949 26.675 1.000 21.501 ? 112 GLU   AaA CD  1 ? 
ATOM   295  O OE1 . GLU   A 1 39  ? -28.514 -30.161 26.652 1.000 23.987 ? 112 GLU   AaA OE1 1 ? 
ATOM   296  O OE2 . GLU   A 1 39  ? -29.515 -28.371 27.357 1.000 27.776 ? 112 GLU   AaA OE2 1 ? 
ATOM   297  N N   . VAL   A 1 40  ? -27.800 -27.986 22.167 1.000 15.348 ? 113 VAL   AaA N   1 ? 
ATOM   298  C CA  . VAL   A 1 40  ? -28.818 -27.228 21.386 1.000 15.986 ? 113 VAL   AaA CA  1 ? 
ATOM   299  C C   . VAL   A 1 40  ? -29.459 -28.214 20.397 1.000 15.261 ? 113 VAL   AaA C   1 ? 
ATOM   300  O O   . VAL   A 1 40  ? -30.685 -28.152 20.187 1.000 16.028 ? 113 VAL   AaA O   1 ? 
ATOM   301  C CB  . VAL   A 1 40  ? -28.272 -25.951 20.743 1.000 17.425 ? 113 VAL   AaA CB  1 ? 
ATOM   302  C CG1 . VAL   A 1 40  ? -27.228 -26.193 19.694 1.000 16.464 ? 113 VAL   AaA CG1 1 ? 
ATOM   303  C CG2 . VAL   A 1 40  ? -29.400 -25.083 20.198 1.000 19.217 ? 113 VAL   AaA CG2 1 ? 
ATOM   304  N N   . GLY   A 1 41  ? -28.725 -29.172 19.870 1.000 14.909 ? 114 GLY   AaA N   1 ? 
ATOM   305  C CA  . GLY   A 1 41  ? -29.299 -30.211 18.979 1.000 15.346 ? 114 GLY   AaA CA  1 ? 
ATOM   306  C C   . GLY   A 1 41  ? -30.302 -31.087 19.693 1.000 15.130 ? 114 GLY   AaA C   1 ? 
ATOM   307  O O   . GLY   A 1 41  ? -31.393 -31.379 19.173 1.000 15.727 ? 114 GLY   AaA O   1 ? 
ATOM   308  N N   . CYS   A 1 42  ? -29.993 -31.484 20.934 1.000 15.515 ? 115 CYS   AaA N   1 ? 
ATOM   309  C CA  A CYS   A 1 42  ? -30.914 -32.321 21.738 0.800 16.171 ? 115 CYS   AaA CA  1 ? 
ATOM   310  C CA  B CYS   A 1 42  ? -30.904 -32.307 21.756 0.200 15.996 ? 115 CYS   AaA CA  1 ? 
ATOM   311  C C   . CYS   A 1 42  ? -32.179 -31.510 22.068 1.000 15.464 ? 115 CYS   AaA C   1 ? 
ATOM   312  O O   . CYS   A 1 42  ? -33.284 -32.084 21.976 1.000 16.988 ? 115 CYS   AaA O   1 ? 
ATOM   313  C CB  A CYS   A 1 42  ? -30.264 -32.789 23.047 0.800 17.951 ? 115 CYS   AaA CB  1 ? 
ATOM   314  C CB  B CYS   A 1 42  ? -30.190 -32.733 23.030 0.200 16.485 ? 115 CYS   AaA CB  1 ? 
ATOM   315  S SG  A CYS   A 1 42  ? -28.967 -34.042 22.882 0.800 21.056 ? 115 CYS   AaA SG  1 ? 
ATOM   316  S SG  B CYS   A 1 42  ? -31.244 -33.741 24.095 0.200 17.481 ? 115 CYS   AaA SG  1 ? 
ATOM   317  N N   . ASN   A 1 43  ? -32.035 -30.251 22.439 1.000 15.175 ? 116 ASN   AaA N   1 ? 
ATOM   318  C CA  . ASN   A 1 43  ? -33.209 -29.397 22.762 1.000 16.944 ? 116 ASN   AaA CA  1 ? 
ATOM   319  C C   . ASN   A 1 43  ? -34.050 -29.201 21.495 1.000 16.525 ? 116 ASN   AaA C   1 ? 
ATOM   320  O O   . ASN   A 1 43  ? -35.298 -29.233 21.593 1.000 18.629 ? 116 ASN   AaA O   1 ? 
ATOM   321  C CB  . ASN   A 1 43  ? -32.784 -28.086 23.402 1.000 16.439 ? 116 ASN   AaA CB  1 ? 
ATOM   322  C CG  . ASN   A 1 43  ? -32.318 -28.307 24.831 1.000 18.559 ? 116 ASN   AaA CG  1 ? 
ATOM   323  O OD1 . ASN   A 1 43  ? -32.743 -29.264 25.465 1.000 21.043 ? 116 ASN   AaA OD1 1 ? 
ATOM   324  N ND2 . ASN   A 1 43  ? -31.416 -27.455 25.287 1.000 18.077 ? 116 ASN   AaA ND2 1 ? 
ATOM   325  N N   . HIS   A 1 44  ? -33.407 -29.026 20.355 1.000 15.769 ? 117 HIS   AaA N   1 ? 
ATOM   326  C CA  . HIS   A 1 44  ? -34.168 -28.915 19.078 1.000 15.908 ? 117 HIS   AaA CA  1 ? 
ATOM   327  C C   . HIS   A 1 44  ? -34.967 -30.188 18.859 1.000 15.418 ? 117 HIS   AaA C   1 ? 
ATOM   328  O O   . HIS   A 1 44  ? -36.196 -30.125 18.551 1.000 16.899 ? 117 HIS   AaA O   1 ? 
ATOM   329  C CB  . HIS   A 1 44  ? -33.179 -28.666 17.948 1.000 14.796 ? 117 HIS   AaA CB  1 ? 
ATOM   330  C CG  . HIS   A 1 44  ? -33.841 -28.394 16.633 1.000 14.886 ? 117 HIS   AaA CG  1 ? 
ATOM   331  N ND1 . HIS   A 1 44  ? -33.147 -28.500 15.470 1.000 14.786 ? 117 HIS   AaA ND1 1 ? 
ATOM   332  C CD2 . HIS   A 1 44  ? -35.121 -28.049 16.334 1.000 14.943 ? 117 HIS   AaA CD2 1 ? 
ATOM   333  C CE1 . HIS   A 1 44  ? -33.974 -28.166 14.468 1.000 14.141 ? 117 HIS   AaA CE1 1 ? 
ATOM   334  N NE2 . HIS   A 1 44  ? -35.178 -27.875 14.970 1.000 14.634 ? 117 HIS   AaA NE2 1 ? 
ATOM   335  N N   . ALA   A 1 45  ? -34.367 -31.343 18.975 1.000 15.790 ? 118 ALA   AaA N   1 ? 
ATOM   336  C CA  . ALA   A 1 45  ? -35.040 -32.652 18.824 1.000 16.781 ? 118 ALA   AaA CA  1 ? 
ATOM   337  C C   . ALA   A 1 45  ? -36.216 -32.767 19.794 1.000 18.318 ? 118 ALA   AaA C   1 ? 
ATOM   338  O O   . ALA   A 1 45  ? -37.309 -33.209 19.386 1.000 19.640 ? 118 ALA   AaA O   1 ? 
ATOM   339  C CB  . ALA   A 1 45  ? -34.089 -33.799 19.000 1.000 18.820 ? 118 ALA   AaA CB  1 ? 
ATOM   340  N N   . GLN   A 1 46  ? -36.033 -32.400 21.047 1.000 18.281 ? 119 GLN   AaA N   1 ? 
ATOM   341  C CA  A GLN   A 1 46  ? -37.152 -32.476 22.016 0.500 20.123 ? 119 GLN   AaA CA  1 ? 
ATOM   342  C CA  B GLN   A 1 46  ? -37.132 -32.433 22.044 0.500 19.956 ? 119 GLN   AaA CA  1 ? 
ATOM   343  C C   . GLN   A 1 46  ? -38.261 -31.503 21.594 1.000 19.548 ? 119 GLN   AaA C   1 ? 
ATOM   344  O O   . GLN   A 1 46  ? -39.467 -31.869 21.746 1.000 21.941 ? 119 GLN   AaA O   1 ? 
ATOM   345  C CB  A GLN   A 1 46  ? -36.642 -32.250 23.435 0.500 22.552 ? 119 GLN   AaA CB  1 ? 
ATOM   346  C CB  B GLN   A 1 46  ? -36.574 -32.021 23.404 0.500 22.160 ? 119 GLN   AaA CB  1 ? 
ATOM   347  C CG  A GLN   A 1 46  ? -37.735 -32.392 24.484 0.500 26.222 ? 119 GLN   AaA CG  1 ? 
ATOM   348  C CG  B GLN   A 1 46  ? -37.148 -32.799 24.572 0.500 25.599 ? 119 GLN   AaA CG  1 ? 
ATOM   349  C CD  A GLN   A 1 46  ? -38.110 -31.061 25.082 0.500 28.943 ? 119 GLN   AaA CD  1 ? 
ATOM   350  C CD  B GLN   A 1 46  ? -36.210 -32.699 25.748 0.500 26.416 ? 119 GLN   AaA CD  1 ? 
ATOM   351  O OE1 A GLN   A 1 46  ? -38.791 -30.245 24.468 0.500 31.206 ? 119 GLN   AaA OE1 1 ? 
ATOM   352  O OE1 B GLN   A 1 46  ? -35.056 -32.286 25.616 0.500 31.798 ? 119 GLN   AaA OE1 1 ? 
ATOM   353  N NE2 A GLN   A 1 46  ? -37.670 -30.836 26.311 0.500 35.369 ? 119 GLN   AaA NE2 1 ? 
ATOM   354  N NE2 B GLN   A 1 46  ? -36.697 -33.100 26.904 0.500 29.740 ? 119 GLN   AaA NE2 1 ? 
ATOM   355  N N   . SER   A 1 47  ? -37.921 -30.337 21.077 1.000 19.291 ? 120 SER   AaA N   1 ? 
ATOM   356  C CA  . SER   A 1 47  ? -38.920 -29.285 20.757 1.000 19.519 ? 120 SER   AaA CA  1 ? 
ATOM   357  C C   . SER   A 1 47  ? -39.855 -29.749 19.624 1.000 20.402 ? 120 SER   AaA C   1 ? 
ATOM   358  O O   . SER   A 1 47  ? -40.966 -29.212 19.560 1.000 23.327 ? 120 SER   AaA O   1 ? 
ATOM   359  C CB  . SER   A 1 47  ? -38.291 -27.993 20.432 1.000 19.645 ? 120 SER   AaA CB  1 ? 
ATOM   360  O OG  . SER   A 1 47  ? -37.688 -28.045 19.144 1.000 20.642 ? 120 SER   AaA OG  1 ? 
ATOM   361  N N   . VAL   A 1 48  ? -39.442 -30.718 18.804 1.000 20.137 ? 121 VAL   AaA N   1 ? 
ATOM   362  C CA  . VAL   A 1 48  ? -40.299 -31.205 17.671 1.000 20.723 ? 121 VAL   AaA CA  1 ? 
ATOM   363  C C   . VAL   A 1 48  ? -40.836 -32.606 17.955 1.000 23.731 ? 121 VAL   AaA C   1 ? 
ATOM   364  O O   . VAL   A 1 48  ? -41.403 -33.192 17.037 1.000 22.494 ? 121 VAL   AaA O   1 ? 
ATOM   365  C CB  . VAL   A 1 48  ? -39.538 -31.173 16.322 1.000 19.943 ? 121 VAL   AaA CB  1 ? 
ATOM   366  C CG1 . VAL   A 1 48  ? -39.123 -29.766 15.989 1.000 21.498 ? 121 VAL   AaA CG1 1 ? 
ATOM   367  C CG2 . VAL   A 1 48  ? -38.330 -32.114 16.250 1.000 20.386 ? 121 VAL   AaA CG2 1 ? 
ATOM   368  N N   . GLY   A 1 49  ? -40.680 -33.144 19.168 1.000 22.928 ? 122 GLY   AaA N   1 ? 
ATOM   369  C CA  . GLY   A 1 49  ? -41.288 -34.419 19.602 1.000 25.221 ? 122 GLY   AaA CA  1 ? 
ATOM   370  C C   . GLY   A 1 49  ? -40.476 -35.688 19.360 1.000 29.097 ? 122 GLY   AaA C   1 ? 
ATOM   371  O O   . GLY   A 1 49  ? -41.073 -36.770 19.402 1.000 30.789 ? 122 GLY   AaA O   1 ? 
ATOM   372  N N   . PHE   A 1 50  ? -39.148 -35.631 19.214 1.000 24.174 ? 123 PHE   AaA N   1 ? 
ATOM   373  C CA  . PHE   A 1 50  ? -38.304 -36.812 18.887 1.000 26.548 ? 123 PHE   AaA CA  1 ? 
ATOM   374  C C   . PHE   A 1 50  ? -37.658 -37.502 20.112 1.000 30.087 ? 123 PHE   AaA C   1 ? 
ATOM   375  O O   . PHE   A 1 50  ? -37.159 -38.649 19.974 1.000 31.959 ? 123 PHE   AaA O   1 ? 
ATOM   376  C CB  . PHE   A 1 50  ? -37.217 -36.442 17.872 1.000 23.866 ? 123 PHE   AaA CB  1 ? 
ATOM   377  C CG  . PHE   A 1 50  ? -37.678 -36.252 16.451 1.000 25.528 ? 123 PHE   AaA CG  1 ? 
ATOM   378  C CD1 . PHE   A 1 50  ? -38.901 -36.724 15.986 1.000 24.313 ? 123 PHE   AaA CD1 1 ? 
ATOM   379  C CD2 . PHE   A 1 50  ? -36.864 -35.590 15.550 1.000 25.382 ? 123 PHE   AaA CD2 1 ? 
ATOM   380  C CE1 . PHE   A 1 50  ? -39.285 -36.551 14.660 1.000 23.697 ? 123 PHE   AaA CE1 1 ? 
ATOM   381  C CE2 . PHE   A 1 50  ? -37.260 -35.399 14.240 1.000 26.170 ? 123 PHE   AaA CE2 1 ? 
ATOM   382  C CZ  . PHE   A 1 50  ? -38.462 -35.886 13.791 1.000 25.255 ? 123 PHE   AaA CZ  1 ? 
ATOM   383  N N   . SER   A 1 51  ? -37.574 -36.853 21.273 1.000 32.930 ? 124 SER   AaA N   1 ? 
ATOM   384  C CA  . SER   A 1 51  ? -36.722 -37.363 22.387 1.000 32.924 ? 124 SER   AaA CA  1 ? 
ATOM   385  C C   . SER   A 1 51  ? -37.519 -38.284 23.317 1.000 36.383 ? 124 SER   AaA C   1 ? 
ATOM   386  O O   . SER   A 1 51  ? -38.496 -37.786 23.898 1.000 41.824 ? 124 SER   AaA O   1 ? 
ATOM   387  C CB  . SER   A 1 51  ? -36.083 -36.226 23.113 1.000 39.139 ? 124 SER   AaA CB  1 ? 
ATOM   388  O OG  . SER   A 1 51  ? -35.171 -35.568 22.249 1.000 39.154 ? 124 SER   AaA OG  1 ? 
ATOM   389  N N   . ASP   A 1 53  ? -35.646 -39.611 25.940 1.000 51.498 ? 126 ASP   AaA N   1 ? 
ATOM   390  C CA  . ASP   A 1 53  ? -35.192 -40.971 26.364 1.000 48.645 ? 126 ASP   AaA CA  1 ? 
ATOM   391  C C   . ASP   A 1 53  ? -33.714 -41.216 26.018 1.000 51.419 ? 126 ASP   AaA C   1 ? 
ATOM   392  O O   . ASP   A 1 53  ? -33.291 -42.394 26.076 1.000 55.310 ? 126 ASP   AaA O   1 ? 
ATOM   393  C CB  . ASP   A 1 53  ? -36.079 -42.073 25.762 1.000 47.701 ? 126 ASP   AaA CB  1 ? 
ATOM   394  C CG  . ASP   A 1 53  ? -35.809 -42.423 24.300 1.000 48.038 ? 126 ASP   AaA CG  1 ? 
ATOM   395  O OD1 . ASP   A 1 53  ? -35.080 -41.666 23.614 1.000 45.658 ? 126 ASP   AaA OD1 1 ? 
ATOM   396  O OD2 . ASP   A 1 53  ? -36.322 -43.464 23.852 1.000 53.111 ? 126 ASP   AaA OD2 1 ? 
ATOM   397  N N   . GLY   A 1 54  ? -32.959 -40.168 25.667 1.000 48.529 ? 127 GLY   AaA N   1 ? 
ATOM   398  C CA  . GLY   A 1 54  ? -31.519 -40.256 25.349 1.000 48.708 ? 127 GLY   AaA CA  1 ? 
ATOM   399  C C   . GLY   A 1 54  ? -31.271 -40.397 23.866 1.000 47.648 ? 127 GLY   AaA C   1 ? 
ATOM   400  O O   . GLY   A 1 54  ? -30.233 -39.884 23.382 1.000 54.302 ? 127 GLY   AaA O   1 ? 
ATOM   401  N N   . PHE   A 1 55  ? -32.180 -41.067 23.156 1.000 41.457 ? 128 PHE   AaA N   1 ? 
ATOM   402  C CA  . PHE   A 1 55  ? -32.096 -41.182 21.684 1.000 37.281 ? 128 PHE   AaA CA  1 ? 
ATOM   403  C C   . PHE   A 1 55  ? -33.230 -40.354 21.101 1.000 34.944 ? 128 PHE   AaA C   1 ? 
ATOM   404  O O   . PHE   A 1 55  ? -34.420 -40.550 21.387 1.000 40.025 ? 128 PHE   AaA O   1 ? 
ATOM   405  C CB  . PHE   A 1 55  ? -32.103 -42.636 21.214 1.000 36.612 ? 128 PHE   AaA CB  1 ? 
ATOM   406  C CG  . PHE   A 1 55  ? -30.754 -43.292 21.374 1.000 41.373 ? 128 PHE   AaA CG  1 ? 
ATOM   407  C CD1 . PHE   A 1 55  ? -29.624 -42.752 20.770 1.000 39.174 ? 128 PHE   AaA CD1 1 ? 
ATOM   408  C CD2 . PHE   A 1 55  ? -30.607 -44.414 22.168 1.000 40.493 ? 128 PHE   AaA CD2 1 ? 
ATOM   409  C CE1 . PHE   A 1 55  ? -28.377 -43.332 20.952 1.000 41.250 ? 128 PHE   AaA CE1 1 ? 
ATOM   410  C CE2 . PHE   A 1 55  ? -29.364 -44.998 22.345 1.000 39.214 ? 128 PHE   AaA CE2 1 ? 
ATOM   411  C CZ  . PHE   A 1 55  ? -28.251 -44.459 21.736 1.000 40.643 ? 128 PHE   AaA CZ  1 ? 
ATOM   412  N N   . ALA   A 1 56  ? -32.811 -39.364 20.349 1.000 30.776 ? 129 ALA   AaA N   1 ? 
ATOM   413  C CA  . ALA   A 1 56  ? -33.673 -38.671 19.385 1.000 27.829 ? 129 ALA   AaA CA  1 ? 
ATOM   414  C C   . ALA   A 1 56  ? -33.979 -39.668 18.270 1.000 26.328 ? 129 ALA   AaA C   1 ? 
ATOM   415  O O   . ALA   A 1 56  ? -33.037 -40.197 17.618 1.000 26.417 ? 129 ALA   AaA O   1 ? 
ATOM   416  C CB  . ALA   A 1 56  ? -32.979 -37.428 18.895 1.000 30.161 ? 129 ALA   AaA CB  1 ? 
ATOM   417  N N   . THR   A 1 57  ? -35.246 -40.017 18.117 1.000 20.892 ? 130 THR   AaA N   1 ? 
ATOM   418  C CA  . THR   A 1 57  ? -35.697 -40.967 17.093 1.000 20.287 ? 130 THR   AaA CA  1 ? 
ATOM   419  C C   . THR   A 1 57  ? -37.024 -40.498 16.537 1.000 20.694 ? 130 THR   AaA C   1 ? 
ATOM   420  O O   . THR   A 1 57  ? -37.817 -39.933 17.319 1.000 23.776 ? 130 THR   AaA O   1 ? 
ATOM   421  C CB  . THR   A 1 57  ? -35.868 -42.390 17.637 1.000 22.060 ? 130 THR   AaA CB  1 ? 
ATOM   422  O OG1 . THR   A 1 57  ? -36.706 -42.353 18.802 1.000 24.461 ? 130 THR   AaA OG1 1 ? 
ATOM   423  C CG2 . THR   A 1 57  ? -34.529 -43.003 17.953 1.000 23.320 ? 130 THR   AaA CG2 1 ? 
ATOM   424  N N   . THR   A 1 58  ? -37.247 -40.753 15.257 1.000 19.319 ? 131 THR   AaA N   1 ? 
ATOM   425  C CA  . THR   A 1 58  ? -38.601 -40.664 14.674 1.000 20.433 ? 131 THR   AaA CA  1 ? 
ATOM   426  C C   . THR   A 1 58  ? -39.406 -41.916 15.065 1.000 20.559 ? 131 THR   AaA C   1 ? 
ATOM   427  O O   . THR   A 1 58  ? -38.846 -42.932 15.552 1.000 20.773 ? 131 THR   AaA O   1 ? 
ATOM   428  C CB  . THR   A 1 58  ? -38.585 -40.484 13.152 1.000 21.262 ? 131 THR   AaA CB  1 ? 
ATOM   429  O OG1 . THR   A 1 58  ? -38.279 -41.719 12.508 1.000 20.600 ? 131 THR   AaA OG1 1 ? 
ATOM   430  C CG2 . THR   A 1 58  ? -37.589 -39.448 12.685 1.000 20.808 ? 131 THR   AaA CG2 1 ? 
ATOM   431  N N   . THR   A 1 59  ? -40.687 -41.911 14.748 1.000 22.861 ? 132 THR   AaA N   1 ? 
ATOM   432  C CA  . THR   A 1 59  ? -41.577 -43.057 15.073 1.000 23.897 ? 132 THR   AaA CA  1 ? 
ATOM   433  C C   . THR   A 1 59  ? -41.085 -44.308 14.358 1.000 21.439 ? 132 THR   AaA C   1 ? 
ATOM   434  O O   . THR   A 1 59  ? -41.016 -45.371 15.010 1.000 22.726 ? 132 THR   AaA O   1 ? 
ATOM   435  C CB  . THR   A 1 59  ? -43.039 -42.759 14.745 1.000 27.568 ? 132 THR   AaA CB  1 ? 
ATOM   436  O OG1 . THR   A 1 59  ? -43.417 -41.606 15.500 1.000 31.914 ? 132 THR   AaA OG1 1 ? 
ATOM   437  C CG2 . THR   A 1 59  ? -43.936 -43.924 15.097 1.000 29.952 ? 132 THR   AaA CG2 1 ? 
ATOM   438  N N   . THR   A 1 60  ? -40.795 -44.224 13.057 1.000 20.814 ? 133 THR   AaA N   1 ? 
ATOM   439  C CA  . THR   A 1 60  ? -40.365 -45.410 12.293 1.000 21.243 ? 133 THR   AaA CA  1 ? 
ATOM   440  C C   . THR   A 1 60  ? -38.968 -45.824 12.746 1.000 19.518 ? 133 THR   AaA C   1 ? 
ATOM   441  O O   . THR   A 1 60  ? -38.691 -47.039 12.840 1.000 21.604 ? 133 THR   AaA O   1 ? 
ATOM   442  C CB  . THR   A 1 60  ? -40.447 -45.189 10.782 1.000 20.748 ? 133 THR   AaA CB  1 ? 
ATOM   443  O OG1 . THR   A 1 60  ? -41.825 -44.967 10.486 1.000 24.030 ? 133 THR   AaA OG1 1 ? 
ATOM   444  C CG2 . THR   A 1 60  ? -39.922 -46.370 10.003 1.000 23.506 ? 133 THR   AaA CG2 1 ? 
ATOM   445  N N   . MET   A 1 61  ? -38.088 -44.881 13.080 1.000 19.527 ? 134 MET   AaA N   1 ? 
ATOM   446  C CA  . MET   A 1 61  ? -36.757 -45.267 13.607 1.000 19.000 ? 134 MET   AaA CA  1 ? 
ATOM   447  C C   . MET   A 1 61  ? -36.960 -46.132 14.866 1.000 19.099 ? 134 MET   AaA C   1 ? 
ATOM   448  O O   . MET   A 1 61  ? -36.304 -47.170 15.007 1.000 19.613 ? 134 MET   AaA O   1 ? 
ATOM   449  C CB  . MET   A 1 61  ? -35.934 -44.017 13.947 1.000 18.288 ? 134 MET   AaA CB  1 ? 
ATOM   450  C CG  . MET   A 1 61  ? -35.395 -43.294 12.718 1.000 17.502 ? 134 MET   AaA CG  1 ? 
ATOM   451  S SD  . MET   A 1 61  ? -34.534 -41.778 13.161 1.000 18.296 ? 134 MET   AaA SD  1 ? 
ATOM   452  C CE  . MET   A 1 61  ? -33.077 -42.461 13.959 1.000 18.465 ? 134 MET   AaA CE  1 ? 
ATOM   453  N N   . ARG   A 1 62  ? -37.826 -45.712 15.786 1.000 20.301 ? 135 ARG   AaA N   1 ? 
ATOM   454  C CA  . ARG   A 1 62  ? -38.004 -46.451 17.056 1.000 23.341 ? 135 ARG   AaA CA  1 ? 
ATOM   455  C C   . ARG   A 1 62  ? -38.521 -47.858 16.729 1.000 22.596 ? 135 ARG   AaA C   1 ? 
ATOM   456  O O   . ARG   A 1 62  ? -38.052 -48.829 17.348 1.000 24.593 ? 135 ARG   AaA O   1 ? 
ATOM   457  C CB  . ARG   A 1 62  ? -38.940 -45.641 17.955 1.000 26.574 ? 135 ARG   AaA CB  1 ? 
ATOM   458  C CG  . ARG   A 1 62  ? -38.934 -46.001 19.433 1.000 33.520 ? 135 ARG   AaA CG  1 ? 
ATOM   459  C CD  . ARG   A 1 62  ? -39.431 -44.777 20.200 1.000 36.481 ? 135 ARG   AaA CD  1 ? 
ATOM   460  N NE  . ARG   A 1 62  ? -40.624 -44.135 19.617 1.000 40.708 ? 135 ARG   AaA NE  1 ? 
ATOM   461  C CZ  . ARG   A 1 62  ? -40.701 -42.916 19.060 1.000 40.712 ? 135 ARG   AaA CZ  1 ? 
ATOM   462  N NH1 . ARG   A 1 62  ? -39.642 -42.120 18.969 1.000 40.470 ? 135 ARG   AaA NH1 1 ? 
ATOM   463  N NH2 . ARG   A 1 62  ? -41.865 -42.491 18.592 1.000 44.736 ? 135 ARG   AaA NH2 1 ? 
ATOM   464  N N   . LYS   A 1 63  ? -39.451 -47.979 15.794 1.000 23.153 ? 136 LYS   AaA N   1 ? 
ATOM   465  C CA  . LYS   A 1 63  ? -40.035 -49.296 15.439 1.000 26.529 ? 136 LYS   AaA CA  1 ? 
ATOM   466  C C   . LYS   A 1 63  ? -38.913 -50.213 14.915 1.000 26.337 ? 136 LYS   AaA C   1 ? 
ATOM   467  O O   . LYS   A 1 63  ? -38.925 -51.413 15.243 1.000 29.041 ? 136 LYS   AaA O   1 ? 
ATOM   468  C CB  . LYS   A 1 63  ? -41.184 -49.081 14.458 1.000 28.040 ? 136 LYS   AaA CB  1 ? 
ATOM   469  C CG  . LYS   A 1 63  ? -41.955 -50.339 14.090 1.000 33.269 ? 136 LYS   AaA CG  1 ? 
ATOM   470  C CD  . LYS   A 1 63  ? -42.669 -50.200 12.773 1.000 38.302 ? 136 LYS   AaA CD  1 ? 
ATOM   471  C CE  . LYS   A 1 63  ? -43.244 -51.514 12.289 1.000 42.518 ? 136 LYS   AaA CE  1 ? 
ATOM   472  N NZ  . LYS   A 1 63  ? -43.303 -51.571 10.809 1.000 48.557 ? 136 LYS   AaA NZ  1 ? 
ATOM   473  N N   . LEU   A 1 64  ? -37.947 -49.670 14.167 1.000 23.606 ? 137 LEU   AaA N   1 ? 
ATOM   474  C CA  . LEU   A 1 64  ? -36.870 -50.442 13.484 1.000 21.972 ? 137 LEU   AaA CA  1 ? 
ATOM   475  C C   . LEU   A 1 64  ? -35.563 -50.494 14.272 1.000 19.907 ? 137 LEU   AaA C   1 ? 
ATOM   476  O O   . LEU   A 1 64  ? -34.557 -51.027 13.744 1.000 22.959 ? 137 LEU   AaA O   1 ? 
ATOM   477  C CB  . LEU   A 1 64  ? -36.601 -49.826 12.117 1.000 24.631 ? 137 LEU   AaA CB  1 ? 
ATOM   478  C CG  . LEU   A 1 64  ? -37.802 -49.849 11.195 1.000 30.082 ? 137 LEU   AaA CG  1 ? 
ATOM   479  C CD1 . LEU   A 1 64  ? -37.423 -49.219 9.877  1.000 30.111 ? 137 LEU   AaA CD1 1 ? 
ATOM   480  C CD2 . LEU   A 1 64  ? -38.312 -51.275 11.023 1.000 34.258 ? 137 LEU   AaA CD2 1 ? 
ATOM   481  N N   . HIS   A 1 65  ? -35.555 -49.980 15.501 1.000 19.134 ? 138 HIS   AaA N   1 ? 
ATOM   482  C CA  A HIS   A 1 65  ? -34.366 -49.965 16.379 0.500 19.665 ? 138 HIS   AaA CA  1 ? 
ATOM   483  C CA  B HIS   A 1 65  ? -34.367 -49.961 16.382 0.500 19.727 ? 138 HIS   AaA CA  1 ? 
ATOM   484  C C   . HIS   A 1 65  ? -33.223 -49.218 15.691 1.000 17.886 ? 138 HIS   AaA C   1 ? 
ATOM   485  O O   . HIS   A 1 65  ? -32.086 -49.624 15.842 1.000 18.634 ? 138 HIS   AaA O   1 ? 
ATOM   486  C CB  A HIS   A 1 65  ? -33.968 -51.392 16.786 0.500 20.950 ? 138 HIS   AaA CB  1 ? 
ATOM   487  C CB  B HIS   A 1 65  ? -33.989 -51.387 16.813 0.500 21.088 ? 138 HIS   AaA CB  1 ? 
ATOM   488  C CG  A HIS   A 1 65  ? -35.020 -52.120 17.550 0.500 25.060 ? 138 HIS   AaA CG  1 ? 
ATOM   489  C CG  B HIS   A 1 65  ? -34.941 -51.980 17.795 0.500 25.086 ? 138 HIS   AaA CG  1 ? 
ATOM   490  N ND1 A HIS   A 1 65  ? -35.247 -53.472 17.374 0.500 24.717 ? 138 HIS   AaA ND1 1 ? 
ATOM   491  N ND1 B HIS   A 1 65  ? -34.514 -52.768 18.850 0.500 26.602 ? 138 HIS   AaA ND1 1 ? 
ATOM   492  C CD2 A HIS   A 1 65  ? -35.887 -51.704 18.500 0.500 26.402 ? 138 HIS   AaA CD2 1 ? 
ATOM   493  C CD2 B HIS   A 1 65  ? -36.289 -51.911 17.884 0.500 26.246 ? 138 HIS   AaA CD2 1 ? 
ATOM   494  C CE1 A HIS   A 1 65  ? -36.225 -53.856 18.175 0.500 26.231 ? 138 HIS   AaA CE1 1 ? 
ATOM   495  C CE1 B HIS   A 1 65  ? -35.565 -53.153 19.550 0.500 27.644 ? 138 HIS   AaA CE1 1 ? 
ATOM   496  N NE2 A HIS   A 1 65  ? -36.618 -52.800 18.893 0.500 29.367 ? 138 HIS   AaA NE2 1 ? 
ATOM   497  N NE2 B HIS   A 1 65  ? -36.660 -52.646 18.986 0.500 30.465 ? 138 HIS   AaA NE2 1 ? 
ATOM   498  N N   . LEU   A 1 66  ? -33.564 -48.115 15.007 1.000 16.637 ? 139 LEU   AaA N   1 ? 
ATOM   499  C CA  . LEU   A 1 66  ? -32.543 -47.243 14.393 1.000 17.678 ? 139 LEU   AaA CA  1 ? 
ATOM   500  C C   . LEU   A 1 66  ? -32.262 -46.056 15.295 1.000 16.367 ? 139 LEU   AaA C   1 ? 
ATOM   501  O O   . LEU   A 1 66  ? -33.202 -45.522 15.912 1.000 18.316 ? 139 LEU   AaA O   1 ? 
ATOM   502  C CB  . LEU   A 1 66  ? -33.001 -46.735 13.032 1.000 18.136 ? 139 LEU   AaA CB  1 ? 
ATOM   503  C CG  . LEU   A 1 66  ? -33.382 -47.805 12.021 1.000 18.436 ? 139 LEU   AaA CG  1 ? 
ATOM   504  C CD1 . LEU   A 1 66  ? -33.889 -47.152 10.736 1.000 19.723 ? 139 LEU   AaA CD1 1 ? 
ATOM   505  C CD2 . LEU   A 1 66  ? -32.210 -48.733 11.761 1.000 21.469 ? 139 LEU   AaA CD2 1 ? 
ATOM   506  N N   . ILE   A 1 67  ? -31.006 -45.664 15.246 1.000 16.077 ? 140 ILE   AaA N   1 ? 
ATOM   507  C CA  . ILE   A 1 67  ? -30.541 -44.398 15.856 1.000 16.109 ? 140 ILE   AaA CA  1 ? 
ATOM   508  C C   . ILE   A 1 67  ? -29.756 -43.595 14.834 1.000 17.469 ? 140 ILE   AaA C   1 ? 
ATOM   509  O O   . ILE   A 1 67  ? -29.239 -44.147 13.872 1.000 16.410 ? 140 ILE   AaA O   1 ? 
ATOM   510  C CB  . ILE   A 1 67  ? -29.734 -44.637 17.136 1.000 19.809 ? 140 ILE   AaA CB  1 ? 
ATOM   511  C CG1 . ILE   A 1 67  ? -28.512 -45.521 16.883 1.000 22.376 ? 140 ILE   AaA CG1 1 ? 
ATOM   512  C CG2 . ILE   A 1 67  ? -30.638 -45.175 18.235 1.000 19.848 ? 140 ILE   AaA CG2 1 ? 
ATOM   513  C CD1 . ILE   A 1 67  ? -27.509 -45.478 18.011 1.000 25.482 ? 140 ILE   AaA CD1 1 ? 
ATOM   514  N N   . TRP   A 1 68  ? -29.639 -42.286 15.077 1.000 17.401 ? 141 TRP   AaA N   1 ? 
ATOM   515  C CA  . TRP   A 1 68  ? -28.672 -41.451 14.339 1.000 17.972 ? 141 TRP   AaA CA  1 ? 
ATOM   516  C C   . TRP   A 1 68  ? -27.299 -41.589 14.979 1.000 17.777 ? 141 TRP   AaA C   1 ? 
ATOM   517  O O   . TRP   A 1 68  ? -27.205 -41.464 16.196 1.000 19.389 ? 141 TRP   AaA O   1 ? 
ATOM   518  C CB  . TRP   A 1 68  ? -29.113 -39.981 14.325 1.000 18.202 ? 141 TRP   AaA CB  1 ? 
ATOM   519  C CG  . TRP   A 1 68  ? -30.118 -39.534 13.291 1.000 16.647 ? 141 TRP   AaA CG  1 ? 
ATOM   520  C CD1 . TRP   A 1 68  ? -29.891 -39.341 11.957 1.000 17.079 ? 141 TRP   AaA CD1 1 ? 
ATOM   521  C CD2 . TRP   A 1 68  ? -31.451 -39.072 13.540 1.000 16.196 ? 141 TRP   AaA CD2 1 ? 
ATOM   522  N NE1 . TRP   A 1 68  ? -31.004 -38.839 11.351 1.000 17.877 ? 141 TRP   AaA NE1 1 ? 
ATOM   523  C CE2 . TRP   A 1 68  ? -31.976 -38.649 12.290 1.000 18.046 ? 141 TRP   AaA CE2 1 ? 
ATOM   524  C CE3 . TRP   A 1 68  ? -32.254 -38.995 14.678 1.000 16.525 ? 141 TRP   AaA CE3 1 ? 
ATOM   525  C CZ2 . TRP   A 1 68  ? -33.262 -38.153 12.181 1.000 18.230 ? 141 TRP   AaA CZ2 1 ? 
ATOM   526  C CZ3 . TRP   A 1 68  ? -33.538 -38.527 14.560 1.000 18.394 ? 141 TRP   AaA CZ3 1 ? 
ATOM   527  C CH2 . TRP   A 1 68  ? -34.029 -38.123 13.323 1.000 18.722 ? 141 TRP   AaA CH2 1 ? 
ATOM   528  N N   . VAL   A 1 69  ? -26.274 -41.790 14.172 1.000 16.483 ? 142 VAL   AaA N   1 ? 
ATOM   529  C CA  . VAL   A 1 69  ? -24.860 -41.797 14.620 1.000 16.820 ? 142 VAL   AaA CA  1 ? 
ATOM   530  C C   . VAL   A 1 69  ? -24.081 -40.809 13.764 1.000 16.512 ? 142 VAL   AaA C   1 ? 
ATOM   531  O O   . VAL   A 1 69  ? -24.357 -40.624 12.561 1.000 14.693 ? 142 VAL   AaA O   1 ? 
ATOM   532  C CB  . VAL   A 1 69  ? -24.190 -43.184 14.640 1.000 18.814 ? 142 VAL   AaA CB  1 ? 
ATOM   533  C CG1 . VAL   A 1 69  ? -24.946 -44.106 15.575 1.000 20.924 ? 142 VAL   AaA CG1 1 ? 
ATOM   534  C CG2 . VAL   A 1 69  ? -24.010 -43.779 13.260 1.000 20.680 ? 142 VAL   AaA CG2 1 ? 
ATOM   535  N N   . THR   A 1 70  ? -23.084 -40.169 14.345 1.000 16.032 ? 143 THR   AaA N   1 ? 
ATOM   536  C CA  . THR   A 1 70  ? -22.271 -39.175 13.615 1.000 15.875 ? 143 THR   AaA CA  1 ? 
ATOM   537  C C   . THR   A 1 70  ? -21.352 -39.898 12.640 1.000 16.742 ? 143 THR   AaA C   1 ? 
ATOM   538  O O   . THR   A 1 70  ? -20.629 -40.834 13.045 1.000 17.603 ? 143 THR   AaA O   1 ? 
ATOM   539  C CB  . THR   A 1 70  ? -21.443 -38.289 14.550 1.000 18.325 ? 143 THR   AaA CB  1 ? 
ATOM   540  O OG1 . THR   A 1 70  ? -22.266 -37.801 15.606 1.000 21.359 ? 143 THR   AaA OG1 1 ? 
ATOM   541  C CG2 . THR   A 1 70  ? -20.858 -37.130 13.789 1.000 17.461 ? 143 THR   AaA CG2 1 ? 
ATOM   542  N N   . ALA   A 1 71  ? -21.388 -39.515 11.379 1.000 15.735 ? 144 ALA   AaA N   1 ? 
ATOM   543  C CA  . ALA   A 1 71  ? -20.407 -39.928 10.351 1.000 15.560 ? 144 ALA   AaA CA  1 ? 
ATOM   544  C C   . ALA   A 1 71  ? -19.307 -38.894 10.238 1.000 16.452 ? 144 ALA   AaA C   1 ? 
ATOM   545  O O   . ALA   A 1 71  ? -18.120 -39.285 10.005 1.000 18.639 ? 144 ALA   AaA O   1 ? 
ATOM   546  C CB  . ALA   A 1 71  ? -21.081 -40.126 9.010  1.000 16.340 ? 144 ALA   AaA CB  1 ? 
ATOM   547  N N   . ARG   A 1 72  ? -19.643 -37.615 10.250 1.000 16.087 ? 145 ARG   AaA N   1 ? 
ATOM   548  C CA  . ARG   A 1 72  ? -18.642 -36.532 10.077 1.000 18.192 ? 145 ARG   AaA CA  1 ? 
ATOM   549  C C   . ARG   A 1 72  ? -19.042 -35.351 10.936 1.000 16.508 ? 145 ARG   AaA C   1 ? 
ATOM   550  O O   . ARG   A 1 72  ? -20.232 -35.002 10.963 1.000 16.979 ? 145 ARG   AaA O   1 ? 
ATOM   551  C CB  . ARG   A 1 72  ? -18.485 -36.086 8.623  1.000 20.001 ? 145 ARG   AaA CB  1 ? 
ATOM   552  C CG  . ARG   A 1 72  ? -17.323 -35.134 8.351  1.000 24.127 ? 145 ARG   AaA CG  1 ? 
ATOM   553  C CD  . ARG   A 1 72  ? -17.285 -34.887 6.843  1.000 28.728 ? 145 ARG   AaA CD  1 ? 
ATOM   554  N NE  . ARG   A 1 72  ? -16.236 -34.030 6.285  1.000 31.542 ? 145 ARG   AaA NE  1 ? 
ATOM   555  C CZ  . ARG   A 1 72  ? -15.070 -34.455 5.777  1.000 36.636 ? 145 ARG   AaA CZ  1 ? 
ATOM   556  N NH1 . ARG   A 1 72  ? -14.715 -35.730 5.822  1.000 37.681 ? 145 ARG   AaA NH1 1 ? 
ATOM   557  N NH2 . ARG   A 1 72  ? -14.229 -33.576 5.265  1.000 44.122 ? 145 ARG   AaA NH2 1 ? 
ATOM   558  N N   . MET   A 1 73  ? -18.049 -34.707 11.536 1.000 15.888 ? 146 MET   AaA N   1 ? 
ATOM   559  C CA  . MET   A 1 73  ? -18.237 -33.454 12.287 1.000 15.984 ? 146 MET   AaA CA  1 ? 
ATOM   560  C C   . MET   A 1 73  ? -17.203 -32.455 11.810 1.000 17.532 ? 146 MET   AaA C   1 ? 
ATOM   561  O O   . MET   A 1 73  ? -16.003 -32.825 11.690 1.000 17.660 ? 146 MET   AaA O   1 ? 
ATOM   562  C CB  . MET   A 1 73  ? -18.075 -33.667 13.789 1.000 17.195 ? 146 MET   AaA CB  1 ? 
ATOM   563  C CG  . MET   A 1 73  ? -18.114 -32.405 14.610 1.000 18.447 ? 146 MET   AaA CG  1 ? 
ATOM   564  S SD  . MET   A 1 73  ? -19.695 -31.576 14.574 1.000 20.868 ? 146 MET   AaA SD  1 ? 
ATOM   565  C CE  . MET   A 1 73  ? -20.707 -32.739 15.474 1.000 24.024 ? 146 MET   AaA CE  1 ? 
ATOM   566  N N   . HIS   A 1 74  ? -17.616 -31.245 11.509 1.000 17.002 ? 147 HIS   AaA N   1 ? 
ATOM   567  C CA  . HIS   A 1 74  ? -16.719 -30.197 10.984 1.000 16.936 ? 147 HIS   AaA CA  1 ? 
ATOM   568  C C   . HIS   A 1 74  ? -17.017 -28.912 11.733 1.000 16.509 ? 147 HIS   AaA C   1 ? 
ATOM   569  O O   . HIS   A 1 74  ? -18.145 -28.400 11.637 1.000 17.387 ? 147 HIS   AaA O   1 ? 
ATOM   570  C CB  . HIS   A 1 74  ? -16.875 -30.057 9.481  1.000 17.371 ? 147 HIS   AaA CB  1 ? 
ATOM   571  C CG  . HIS   A 1 74  ? -16.014 -29.005 8.890  1.000 21.071 ? 147 HIS   AaA CG  1 ? 
ATOM   572  N ND1 . HIS   A 1 74  ? -14.643 -29.142 8.742  1.000 25.131 ? 147 HIS   AaA ND1 1 ? 
ATOM   573  C CD2 . HIS   A 1 74  ? -16.321 -27.787 8.392  1.000 28.058 ? 147 HIS   AaA CD2 1 ? 
ATOM   574  C CE1 . HIS   A 1 74  ? -14.152 -28.053 8.175  1.000 26.163 ? 147 HIS   AaA CE1 1 ? 
ATOM   575  N NE2 . HIS   A 1 74  ? -15.150 -27.201 7.966  1.000 28.077 ? 147 HIS   AaA NE2 1 ? 
ATOM   576  N N   . ILE   A 1 75  ? -16.053 -28.411 12.491 1.000 15.725 ? 148 ILE   AaA N   1 ? 
ATOM   577  C CA  . ILE   A 1 75  ? -16.266 -27.212 13.318 1.000 16.149 ? 148 ILE   AaA CA  1 ? 
ATOM   578  C C   . ILE   A 1 75  ? -15.220 -26.177 12.958 1.000 17.671 ? 148 ILE   AaA C   1 ? 
ATOM   579  O O   . ILE   A 1 75  ? -14.035 -26.546 12.927 1.000 18.469 ? 148 ILE   AaA O   1 ? 
ATOM   580  C CB  . ILE   A 1 75  ? -16.183 -27.533 14.812 1.000 16.159 ? 148 ILE   AaA CB  1 ? 
ATOM   581  C CG1 . ILE   A 1 75  ? -17.174 -28.619 15.240 1.000 16.837 ? 148 ILE   AaA CG1 1 ? 
ATOM   582  C CG2 . ILE   A 1 75  ? -16.366 -26.247 15.628 1.000 17.243 ? 148 ILE   AaA CG2 1 ? 
ATOM   583  C CD1 . ILE   A 1 75  ? -16.927 -29.168 16.642 1.000 18.955 ? 148 ILE   AaA CD1 1 ? 
ATOM   584  N N   . GLU   A 1 76  ? -15.622 -24.920 12.747 1.000 16.650 ? 149 GLU   AaA N   1 ? 
ATOM   585  C CA  . GLU   A 1 76  ? -14.686 -23.786 12.549 1.000 17.434 ? 149 GLU   AaA CA  1 ? 
ATOM   586  C C   . GLU   A 1 76  ? -14.999 -22.728 13.597 1.000 17.734 ? 149 GLU   AaA C   1 ? 
ATOM   587  O O   . GLU   A 1 76  ? -16.130 -22.269 13.677 1.000 18.068 ? 149 GLU   AaA O   1 ? 
ATOM   588  C CB  . GLU   A 1 76  ? -14.763 -23.222 11.138 1.000 17.714 ? 149 GLU   AaA CB  1 ? 
ATOM   589  C CG  . GLU   A 1 76  ? -13.879 -21.998 10.939 1.000 22.953 ? 149 GLU   AaA CG  1 ? 
ATOM   590  C CD  . GLU   A 1 76  ? -13.509 -21.705 9.497  1.000 28.097 ? 149 GLU   AaA CD  1 ? 
ATOM   591  O OE1 . GLU   A 1 76  ? -14.247 -22.146 8.584  1.000 29.917 ? 149 GLU   AaA OE1 1 ? 
ATOM   592  O OE2 . GLU   A 1 76  ? -12.461 -21.031 9.295  1.000 32.413 ? 149 GLU   AaA OE2 1 ? 
ATOM   593  N N   . ILE   A 1 77  ? -13.992 -22.334 14.378 1.000 17.645 ? 150 ILE   AaA N   1 ? 
ATOM   594  C CA  . ILE   A 1 77  ? -14.184 -21.294 15.411 1.000 18.103 ? 150 ILE   AaA CA  1 ? 
ATOM   595  C C   . ILE   A 1 77  ? -13.310 -20.102 15.080 1.000 20.064 ? 150 ILE   AaA C   1 ? 
ATOM   596  O O   . ILE   A 1 77  ? -12.081 -20.268 14.950 1.000 22.629 ? 150 ILE   AaA O   1 ? 
ATOM   597  C CB  . ILE   A 1 77  ? -13.865 -21.815 16.812 1.000 20.384 ? 150 ILE   AaA CB  1 ? 
ATOM   598  C CG1 . ILE   A 1 77  ? -14.708 -23.039 17.176 1.000 20.246 ? 150 ILE   AaA CG1 1 ? 
ATOM   599  C CG2 . ILE   A 1 77  ? -13.987 -20.695 17.834 1.000 20.291 ? 150 ILE   AaA CG2 1 ? 
ATOM   600  C CD1 . ILE   A 1 77  ? -16.206 -22.807 17.213 1.000 21.674 ? 150 ILE   AaA CD1 1 ? 
ATOM   601  N N   . TYR   A 1 78  ? -13.946 -18.954 14.917 1.000 19.354 ? 151 TYR   AaA N   1 ? 
ATOM   602  C CA  . TYR   A 1 78  ? -13.241 -17.666 14.679 1.000 21.220 ? 151 TYR   AaA CA  1 ? 
ATOM   603  C C   . TYR   A 1 78  ? -12.782 -17.089 16.020 1.000 20.866 ? 151 TYR   AaA C   1 ? 
ATOM   604  O O   . TYR   A 1 78  ? -11.656 -16.558 16.102 1.000 24.740 ? 151 TYR   AaA O   1 ? 
ATOM   605  C CB  . TYR   A 1 78  ? -14.133 -16.704 13.896 1.000 23.472 ? 151 TYR   AaA CB  1 ? 
ATOM   606  C CG  . TYR   A 1 78  ? -14.726 -17.284 12.647 1.000 23.967 ? 151 TYR   AaA CG  1 ? 
ATOM   607  C CD1 . TYR   A 1 78  ? -13.919 -17.773 11.636 1.000 26.590 ? 151 TYR   AaA CD1 1 ? 
ATOM   608  C CD2 . TYR   A 1 78  ? -16.098 -17.286 12.440 1.000 26.195 ? 151 TYR   AaA CD2 1 ? 
ATOM   609  C CE1 . TYR   A 1 78  ? -14.452 -18.288 10.464 1.000 29.185 ? 151 TYR   AaA CE1 1 ? 
ATOM   610  C CE2 . TYR   A 1 78  ? -16.649 -17.803 11.277 1.000 29.383 ? 151 TYR   AaA CE2 1 ? 
ATOM   611  C CZ  . TYR   A 1 78  ? -15.823 -18.284 10.280 1.000 30.322 ? 151 TYR   AaA CZ  1 ? 
ATOM   612  O OH  . TYR   A 1 78  ? -16.363 -18.793 9.133  1.000 34.589 ? 151 TYR   AaA OH  1 ? 
ATOM   613  N N   . LYS   A 1 79  ? -13.636 -17.110 17.019 1.000 20.489 ? 152 LYS   AaA N   1 ? 
ATOM   614  C CA  . LYS   A 1 79  ? -13.351 -16.541 18.356 1.000 24.112 ? 152 LYS   AaA CA  1 ? 
ATOM   615  C C   . LYS   A 1 79  ? -14.027 -17.423 19.396 1.000 22.261 ? 152 LYS   AaA C   1 ? 
ATOM   616  O O   . LYS   A 1 79  ? -15.238 -17.668 19.284 1.000 21.501 ? 152 LYS   AaA O   1 ? 
ATOM   617  C CB  . LYS   A 1 79  ? -13.882 -15.102 18.469 1.000 27.423 ? 152 LYS   AaA CB  1 ? 
ATOM   618  C CG  . LYS   A 1 79  ? -13.205 -14.064 17.587 1.000 33.745 ? 152 LYS   AaA CG  1 ? 
ATOM   619  C CD  . LYS   A 1 79  ? -13.586 -12.631 17.954 1.000 37.826 ? 152 LYS   AaA CD  1 ? 
ATOM   620  C CE  . LYS   A 1 79  ? -13.001 -11.606 16.998 1.000 39.361 ? 152 LYS   AaA CE  1 ? 
ATOM   621  N NZ  . LYS   A 1 79  ? -13.777 -10.342 17.022 1.000 40.949 ? 152 LYS   AaA NZ  1 ? 
ATOM   622  N N   . TYR   A 1 80  ? -13.277 -17.893 20.371 1.000 20.654 ? 153 TYR   AaA N   1 ? 
ATOM   623  C CA  . TYR   A 1 80  ? -13.819 -18.621 21.537 1.000 20.951 ? 153 TYR   AaA CA  1 ? 
ATOM   624  C C   . TYR   A 1 80  ? -14.347 -17.624 22.550 1.000 23.841 ? 153 TYR   AaA C   1 ? 
ATOM   625  O O   . TYR   A 1 80  ? -13.685 -16.630 22.873 1.000 23.961 ? 153 TYR   AaA O   1 ? 
ATOM   626  C CB  . TYR   A 1 80  ? -12.788 -19.555 22.161 1.000 19.995 ? 153 TYR   AaA CB  1 ? 
ATOM   627  C CG  . TYR   A 1 80  ? -12.381 -20.685 21.269 1.000 20.669 ? 153 TYR   AaA CG  1 ? 
ATOM   628  C CD1 . TYR   A 1 80  ? -11.352 -20.578 20.364 1.000 20.506 ? 153 TYR   AaA CD1 1 ? 
ATOM   629  C CD2 . TYR   A 1 80  ? -13.084 -21.875 21.320 1.000 21.356 ? 153 TYR   AaA CD2 1 ? 
ATOM   630  C CE1 . TYR   A 1 80  ? -10.999 -21.637 19.547 1.000 21.543 ? 153 TYR   AaA CE1 1 ? 
ATOM   631  C CE2 . TYR   A 1 80  ? -12.744 -22.949 20.516 1.000 20.017 ? 153 TYR   AaA CE2 1 ? 
ATOM   632  C CZ  . TYR   A 1 80  ? -11.701 -22.826 19.622 1.000 21.608 ? 153 TYR   AaA CZ  1 ? 
ATOM   633  O OH  . TYR   A 1 80  ? -11.346 -23.875 18.819 1.000 21.267 ? 153 TYR   AaA OH  1 ? 
ATOM   634  N N   . PRO   A 1 81  ? -15.571 -17.844 23.063 1.000 25.390 ? 154 PRO   AaA N   1 ? 
ATOM   635  C CA  . PRO   A 1 81  ? -16.145 -16.913 24.028 1.000 26.103 ? 154 PRO   AaA CA  1 ? 
ATOM   636  C C   . PRO   A 1 81  ? -15.462 -16.988 25.398 1.000 27.830 ? 154 PRO   AaA C   1 ? 
ATOM   637  O O   . PRO   A 1 81  ? -15.023 -18.034 25.826 1.000 25.699 ? 154 PRO   AaA O   1 ? 
ATOM   638  C CB  . PRO   A 1 81  ? -17.621 -17.325 24.056 1.000 25.907 ? 154 PRO   AaA CB  1 ? 
ATOM   639  C CG  . PRO   A 1 81  ? -17.581 -18.804 23.759 1.000 24.579 ? 154 PRO   AaA CG  1 ? 
ATOM   640  C CD  . PRO   A 1 81  ? -16.502 -18.935 22.710 1.000 25.230 ? 154 PRO   AaA CD  1 ? 
ATOM   641  N N   A ALA   A 1 82  ? -15.457 -15.892 26.180 0.500 28.101 ? 155 ALA   AaA N   1 ? 
ATOM   642  N N   B ALA   A 1 82  ? -15.257 -15.794 25.938 0.500 28.690 ? 155 ALA   AaA N   1 ? 
ATOM   643  C CA  A ALA   A 1 82  ? -14.879 -15.823 27.552 0.500 27.799 ? 155 ALA   AaA CA  1 ? 
ATOM   644  C CA  B ALA   A 1 82  ? -14.690 -15.608 27.270 0.500 28.128 ? 155 ALA   AaA CA  1 ? 
ATOM   645  C C   A ALA   A 1 82  ? -15.871 -16.246 28.659 0.500 25.586 ? 155 ALA   AaA C   1 ? 
ATOM   646  C C   B ALA   A 1 82  ? -15.708 -16.086 28.286 0.500 25.916 ? 155 ALA   AaA C   1 ? 
ATOM   647  O O   A ALA   A 1 82  ? -17.083 -16.225 28.418 0.500 23.108 ? 155 ALA   AaA O   1 ? 
ATOM   648  O O   B ALA   A 1 82  ? -16.921 -16.035 28.058 0.500 25.065 ? 155 ALA   AaA O   1 ? 
ATOM   649  C CB  A ALA   A 1 82  ? -14.382 -14.419 27.805 0.500 29.021 ? 155 ALA   AaA CB  1 ? 
ATOM   650  C CB  B ALA   A 1 82  ? -14.321 -14.175 27.514 0.500 29.987 ? 155 ALA   AaA CB  1 ? 
ATOM   651  N N   A TRP   A 1 83  ? -15.387 -16.581 29.870 0.500 23.958 ? 156 TRP   AaA N   1 ? 
ATOM   652  N N   B TRP   A 1 83  ? -15.165 -16.561 29.372 0.500 26.432 ? 156 TRP   AaA N   1 ? 
ATOM   653  C CA  A TRP   A 1 83  ? -16.219 -16.791 31.096 0.500 25.107 ? 156 TRP   AaA CA  1 ? 
ATOM   654  C CA  B TRP   A 1 83  ? -15.862 -16.763 30.649 0.500 25.690 ? 156 TRP   AaA CA  1 ? 
ATOM   655  C C   A TRP   A 1 83  ? -17.151 -15.594 31.246 0.500 24.243 ? 156 TRP   AaA C   1 ? 
ATOM   656  C C   B TRP   A 1 83  ? -16.865 -15.625 30.927 0.500 26.542 ? 156 TRP   AaA C   1 ? 
ATOM   657  O O   A TRP   A 1 83  ? -16.660 -14.439 31.213 0.500 28.414 ? 156 TRP   AaA O   1 ? 
ATOM   658  O O   B TRP   A 1 83  ? -16.444 -14.436 30.883 0.500 28.557 ? 156 TRP   AaA O   1 ? 
ATOM   659  C CB  A TRP   A 1 83  ? -15.375 -16.976 32.382 0.500 23.074 ? 156 TRP   AaA CB  1 ? 
ATOM   660  C CB  B TRP   A 1 83  ? -14.708 -16.874 31.635 0.500 26.900 ? 156 TRP   AaA CB  1 ? 
ATOM   661  C CG  A TRP   A 1 83  ? -16.111 -17.021 33.694 0.500 24.256 ? 156 TRP   AaA CG  1 ? 
ATOM   662  C CG  B TRP   A 1 83  ? -15.073 -16.818 33.069 0.500 25.236 ? 156 TRP   AaA CG  1 ? 
ATOM   663  C CD1 A TRP   A 1 83  ? -17.375 -17.467 33.955 0.500 24.634 ? 156 TRP   AaA CD1 1 ? 
ATOM   664  C CD1 B TRP   A 1 83  ? -16.219 -17.219 33.690 0.500 24.269 ? 156 TRP   AaA CD1 1 ? 
ATOM   665  C CD2 A TRP   A 1 83  ? -15.592 -16.593 34.969 0.500 26.475 ? 156 TRP   AaA CD2 1 ? 
ATOM   666  C CD2 B TRP   A 1 83  ? -14.175 -16.380 34.096 0.500 26.889 ? 156 TRP   AaA CD2 1 ? 
ATOM   667  N NE1 A TRP   A 1 83  ? -17.680 -17.346 35.290 0.500 25.885 ? 156 TRP   AaA NE1 1 ? 
ATOM   668  N NE1 B TRP   A 1 83  ? -16.106 -17.018 35.037 0.500 26.515 ? 156 TRP   AaA NE1 1 ? 
ATOM   669  C CE2 A TRP   A 1 83  ? -16.602 -16.803 35.939 0.500 25.749 ? 156 TRP   AaA CE2 1 ? 
ATOM   670  C CE2 B TRP   A 1 83  ? -14.864 -16.507 35.316 0.500 27.640 ? 156 TRP   AaA CE2 1 ? 
ATOM   671  C CE3 A TRP   A 1 83  ? -14.373 -16.051 35.383 0.500 27.969 ? 156 TRP   AaA CE3 1 ? 
ATOM   672  C CE3 B TRP   A 1 83  ? -12.865 -15.887 34.093 0.500 28.992 ? 156 TRP   AaA CE3 1 ? 
ATOM   673  C CZ2 A TRP   A 1 83  ? -16.422 -16.494 37.289 0.500 27.107 ? 156 TRP   AaA CZ2 1 ? 
ATOM   674  C CZ2 B TRP   A 1 83  ? -14.278 -16.162 36.530 0.500 29.946 ? 156 TRP   AaA CZ2 1 ? 
ATOM   675  C CZ3 A TRP   A 1 83  ? -14.198 -15.742 36.714 0.500 30.061 ? 156 TRP   AaA CZ3 1 ? 
ATOM   676  C CZ3 B TRP   A 1 83  ? -12.292 -15.537 35.295 0.500 28.560 ? 156 TRP   AaA CZ3 1 ? 
ATOM   677  C CH2 A TRP   A 1 83  ? -15.205 -15.963 37.653 0.500 28.207 ? 156 TRP   AaA CH2 1 ? 
ATOM   678  C CH2 B TRP   A 1 83  ? -12.988 -15.679 36.492 0.500 30.623 ? 156 TRP   AaA CH2 1 ? 
ATOM   679  N N   A GLY   A 1 84  ? -18.448 -15.846 31.381 0.500 21.675 ? 157 GLY   AaA N   1 ? 
ATOM   680  N N   B GLY   A 1 84  ? -18.148 -15.987 31.115 0.500 24.421 ? 157 GLY   AaA N   1 ? 
ATOM   681  C CA  A GLY   A 1 84  ? -19.431 -14.765 31.534 0.500 22.010 ? 157 GLY   AaA CA  1 ? 
ATOM   682  C CA  B GLY   A 1 84  ? -19.305 -15.123 31.452 0.500 23.382 ? 157 GLY   AaA CA  1 ? 
ATOM   683  C C   A GLY   A 1 84  ? -19.982 -14.277 30.207 0.500 22.627 ? 157 GLY   AaA C   1 ? 
ATOM   684  C C   B GLY   A 1 84  ? -19.921 -14.403 30.250 0.500 23.352 ? 157 GLY   AaA C   1 ? 
ATOM   685  O O   A GLY   A 1 84  ? -21.052 -13.607 30.263 0.500 22.574 ? 157 GLY   AaA O   1 ? 
ATOM   686  O O   B GLY   A 1 84  ? -20.946 -13.688 30.434 0.500 22.877 ? 157 GLY   AaA O   1 ? 
ATOM   687  N N   . ASP   A 1 85  ? -19.327 -14.567 29.068 1.000 20.644 ? 158 ASP   AaA N   1 ? 
ATOM   688  C CA  . ASP   A 1 85  ? -19.888 -14.153 27.761 1.000 22.325 ? 158 ASP   AaA CA  1 ? 
ATOM   689  C C   . ASP   A 1 85  ? -21.134 -14.983 27.442 1.000 19.408 ? 158 ASP   AaA C   1 ? 
ATOM   690  O O   . ASP   A 1 85  ? -21.291 -16.137 27.885 1.000 20.417 ? 158 ASP   AaA O   1 ? 
ATOM   691  C CB  . ASP   A 1 85  ? -18.927 -14.311 26.598 1.000 24.285 ? 158 ASP   AaA CB  1 ? 
ATOM   692  C CG  . ASP   A 1 85  ? -17.785 -13.322 26.549 1.000 27.506 ? 158 ASP   AaA CG  1 ? 
ATOM   693  O OD1 . ASP   A 1 85  ? -17.789 -12.368 27.359 1.000 32.530 ? 158 ASP   AaA OD1 1 ? 
ATOM   694  O OD2 . ASP   A 1 85  ? -16.901 -13.512 25.686 1.000 30.594 ? 158 ASP   AaA OD2 1 ? 
ATOM   695  N N   . VAL   A 1 86  ? -22.022 -14.364 26.681 1.000 21.008 ? 159 VAL   AaA N   1 ? 
ATOM   696  C CA  . VAL   A 1 86  ? -23.264 -15.026 26.222 1.000 22.119 ? 159 VAL   AaA CA  1 ? 
ATOM   697  C C   . VAL   A 1 86  ? -23.095 -15.405 24.755 1.000 20.361 ? 159 VAL   AaA C   1 ? 
ATOM   698  O O   . VAL   A 1 86  ? -22.771 -14.550 23.917 1.000 21.875 ? 159 VAL   AaA O   1 ? 
ATOM   699  C CB  . VAL   A 1 86  ? -24.475 -14.110 26.436 1.000 24.809 ? 159 VAL   AaA CB  1 ? 
ATOM   700  C CG1 . VAL   A 1 86  ? -25.751 -14.823 26.022 1.000 27.198 ? 159 VAL   AaA CG1 1 ? 
ATOM   701  C CG2 . VAL   A 1 86  ? -24.548 -13.620 27.871 1.000 28.900 ? 159 VAL   AaA CG2 1 ? 
ATOM   702  N N   . VAL   A 1 87  ? -23.210 -16.697 24.466 1.000 19.173 ? 160 VAL   AaA N   1 ? 
ATOM   703  C CA  . VAL   A 1 87  ? -23.100 -17.170 23.057 1.000 21.586 ? 160 VAL   AaA CA  1 ? 
ATOM   704  C C   . VAL   A 1 87  ? -24.492 -17.669 22.679 1.000 18.948 ? 160 VAL   AaA C   1 ? 
ATOM   705  O O   . VAL   A 1 87  ? -25.158 -18.351 23.490 1.000 21.121 ? 160 VAL   AaA O   1 ? 
ATOM   706  C CB  . VAL   A 1 87  ? -21.989 -18.214 22.857 1.000 25.071 ? 160 VAL   AaA CB  1 ? 
ATOM   707  C CG1 . VAL   A 1 87  ? -22.209 -19.390 23.760 1.000 24.641 ? 160 VAL   AaA CG1 1 ? 
ATOM   708  C CG2 . VAL   A 1 87  ? -21.866 -18.707 21.423 1.000 26.102 ? 160 VAL   AaA CG2 1 ? 
ATOM   709  N N   . GLU   A 1 88  ? -24.927 -17.301 21.475 1.000 18.286 ? 161 GLU   AaA N   1 ? 
ATOM   710  C CA  . GLU   A 1 88  ? -26.219 -17.797 20.961 1.000 19.940 ? 161 GLU   AaA CA  1 ? 
ATOM   711  C C   . GLU   A 1 88  ? -25.891 -18.765 19.824 1.000 16.960 ? 161 GLU   AaA C   1 ? 
ATOM   712  O O   . GLU   A 1 88  ? -25.090 -18.448 18.934 1.000 18.009 ? 161 GLU   AaA O   1 ? 
ATOM   713  C CB  . GLU   A 1 88  ? -27.152 -16.689 20.466 1.000 22.418 ? 161 GLU   AaA CB  1 ? 
ATOM   714  C CG  . GLU   A 1 88  ? -28.527 -17.238 20.082 1.000 24.294 ? 161 GLU   AaA CG  1 ? 
ATOM   715  C CD  . GLU   A 1 88  ? -29.645 -16.234 19.827 1.000 29.987 ? 161 GLU   AaA CD  1 ? 
ATOM   716  O OE1 . GLU   A 1 88  ? -29.508 -15.472 18.864 1.000 32.705 ? 161 GLU   AaA OE1 1 ? 
ATOM   717  O OE2 . GLU   A 1 88  ? -30.667 -16.269 20.574 1.000 32.620 ? 161 GLU   AaA OE2 1 ? 
ATOM   718  N N   . ILE   A 1 89  ? -26.486 -19.937 19.900 1.000 15.293 ? 162 ILE   AaA N   1 ? 
ATOM   719  C CA  . ILE   A 1 89  ? -26.267 -20.964 18.835 1.000 15.530 ? 162 ILE   AaA CA  1 ? 
ATOM   720  C C   . ILE   A 1 89  ? -27.611 -21.219 18.143 1.000 13.461 ? 162 ILE   AaA C   1 ? 
ATOM   721  O O   . ILE   A 1 89  ? -28.606 -21.483 18.847 1.000 15.359 ? 162 ILE   AaA O   1 ? 
ATOM   722  C CB  . ILE   A 1 89  ? -25.670 -22.257 19.411 1.000 15.775 ? 162 ILE   AaA CB  1 ? 
ATOM   723  C CG1 . ILE   A 1 89  ? -24.398 -21.943 20.205 1.000 17.709 ? 162 ILE   AaA CG1 1 ? 
ATOM   724  C CG2 . ILE   A 1 89  ? -25.394 -23.244 18.280 1.000 16.347 ? 162 ILE   AaA CG2 1 ? 
ATOM   725  C CD1 . ILE   A 1 89  ? -23.775 -23.155 20.876 1.000 18.611 ? 162 ILE   AaA CD1 1 ? 
ATOM   726  N N   . GLU   A 1 90  ? -27.609 -21.104 16.809 1.000 14.039 ? 163 GLU   AaA N   1 ? 
ATOM   727  C CA  . GLU   A 1 90  ? -28.784 -21.484 15.999 1.000 14.583 ? 163 GLU   AaA CA  1 ? 
ATOM   728  C C   . GLU   A 1 90  ? -28.429 -22.812 15.324 1.000 14.293 ? 163 GLU   AaA C   1 ? 
ATOM   729  O O   . GLU   A 1 90  ? -27.306 -22.945 14.826 1.000 14.648 ? 163 GLU   AaA O   1 ? 
ATOM   730  C CB  . GLU   A 1 90  ? -29.134 -20.441 14.941 1.000 15.821 ? 163 GLU   AaA CB  1 ? 
ATOM   731  C CG  . GLU   A 1 90  ? -30.432 -20.768 14.226 1.000 16.003 ? 163 GLU   AaA CG  1 ? 
ATOM   732  C CD  . GLU   A 1 90  ? -30.840 -19.796 13.135 1.000 18.464 ? 163 GLU   AaA CD  1 ? 
ATOM   733  O OE1 . GLU   A 1 90  ? -30.067 -18.870 12.847 1.000 20.427 ? 163 GLU   AaA OE1 1 ? 
ATOM   734  O OE2 . GLU   A 1 90  ? -31.986 -19.945 12.606 1.000 18.251 ? 163 GLU   AaA OE2 1 ? 
ATOM   735  N N   . THR   A 1 91  ? -29.386 -23.717 15.285 1.000 13.015 ? 164 THR   AaA N   1 ? 
ATOM   736  C CA  . THR   A 1 91  ? -29.181 -25.028 14.642 1.000 13.476 ? 164 THR   AaA CA  1 ? 
ATOM   737  C C   . THR   A 1 91  ? -30.397 -25.358 13.802 1.000 12.761 ? 164 THR   AaA C   1 ? 
ATOM   738  O O   . THR   A 1 91  ? -31.536 -24.959 14.115 1.000 14.179 ? 164 THR   AaA O   1 ? 
ATOM   739  C CB  . THR   A 1 91  ? -28.860 -26.092 15.694 1.000 14.134 ? 164 THR   AaA CB  1 ? 
ATOM   740  O OG1 . THR   A 1 91  ? -28.429 -27.308 15.066 1.000 13.499 ? 164 THR   AaA OG1 1 ? 
ATOM   741  C CG2 . THR   A 1 91  ? -30.013 -26.368 16.614 1.000 15.150 ? 164 THR   AaA CG2 1 ? 
ATOM   742  N N   . TRP   A 1 92  ? -30.138 -26.171 12.790 1.000 13.178 ? 165 TRP   AaA N   1 ? 
ATOM   743  C CA  . TRP   A 1 92  ? -31.186 -26.681 11.887 1.000 12.226 ? 165 TRP   AaA CA  1 ? 
ATOM   744  C C   . TRP   A 1 92  ? -30.680 -27.951 11.226 1.000 12.192 ? 165 TRP   AaA C   1 ? 
ATOM   745  O O   . TRP   A 1 92  ? -29.442 -28.200 11.210 1.000 12.911 ? 165 TRP   AaA O   1 ? 
ATOM   746  C CB  . TRP   A 1 92  ? -31.637 -25.627 10.843 1.000 13.015 ? 165 TRP   AaA CB  1 ? 
ATOM   747  C CG  . TRP   A 1 92  ? -30.570 -25.280 9.881  1.000 14.076 ? 165 TRP   AaA CG  1 ? 
ATOM   748  C CD1 . TRP   A 1 92  ? -30.397 -25.786 8.615  1.000 13.634 ? 165 TRP   AaA CD1 1 ? 
ATOM   749  C CD2 . TRP   A 1 92  ? -29.543 -24.290 10.039 1.000 14.795 ? 165 TRP   AaA CD2 1 ? 
ATOM   750  N NE1 . TRP   A 1 92  ? -29.290 -25.236 8.036  1.000 15.101 ? 165 TRP   AaA NE1 1 ? 
ATOM   751  C CE2 . TRP   A 1 92  ? -28.776 -24.277 8.863  1.000 15.253 ? 165 TRP   AaA CE2 1 ? 
ATOM   752  C CE3 . TRP   A 1 92  ? -29.212 -23.386 11.056 1.000 16.178 ? 165 TRP   AaA CE3 1 ? 
ATOM   753  C CZ2 . TRP   A 1 92  ? -27.677 -23.431 8.685  1.000 17.098 ? 165 TRP   AaA CZ2 1 ? 
ATOM   754  C CZ3 . TRP   A 1 92  ? -28.113 -22.572 10.887 1.000 18.005 ? 165 TRP   AaA CZ3 1 ? 
ATOM   755  C CH2 . TRP   A 1 92  ? -27.374 -22.573 9.711  1.000 17.200 ? 165 TRP   AaA CH2 1 ? 
ATOM   756  N N   . CYS   A 1 93  ? -31.586 -28.682 10.603 1.000 12.419 ? 166 CYS   AaA N   1 ? 
ATOM   757  C CA  . CYS   A 1 93  ? -31.232 -29.889 9.878  1.000 12.869 ? 166 CYS   AaA CA  1 ? 
ATOM   758  C C   . CYS   A 1 93  ? -31.737 -29.822 8.451  1.000 13.591 ? 166 CYS   AaA C   1 ? 
ATOM   759  O O   . CYS   A 1 93  ? -32.723 -29.095 8.172  1.000 14.377 ? 166 CYS   AaA O   1 ? 
ATOM   760  C CB  . CYS   A 1 93  ? -31.845 -31.107 10.521 1.000 12.551 ? 166 CYS   AaA CB  1 ? 
ATOM   761  S SG  . CYS   A 1 93  ? -31.222 -31.421 12.200 1.000 15.992 ? 166 CYS   AaA SG  1 ? 
ATOM   762  N N   . GLN   A 1 94  ? -31.147 -30.644 7.602  1.000 13.108 ? 167 GLN   AaA N   1 ? 
ATOM   763  C CA  . GLN   A 1 94  ? -31.658 -30.853 6.235  1.000 13.593 ? 167 GLN   AaA CA  1 ? 
ATOM   764  C C   . GLN   A 1 94  ? -31.518 -32.329 5.898  1.000 13.328 ? 167 GLN   AaA C   1 ? 
ATOM   765  O O   . GLN   A 1 94  ? -30.519 -32.988 6.253  1.000 14.087 ? 167 GLN   AaA O   1 ? 
ATOM   766  C CB  . GLN   A 1 94  ? -31.004 -29.974 5.180  1.000 15.159 ? 167 GLN   AaA CB  1 ? 
ATOM   767  C CG  . GLN   A 1 94  ? -31.019 -28.509 5.517  1.000 15.967 ? 167 GLN   AaA CG  1 ? 
ATOM   768  C CD  . GLN   A 1 94  ? -30.983 -27.637 4.283  1.000 17.316 ? 167 GLN   AaA CD  1 ? 
ATOM   769  O OE1 . GLN   A 1 94  ? -29.918 -27.291 3.798  1.000 19.207 ? 167 GLN   AaA OE1 1 ? 
ATOM   770  N NE2 . GLN   A 1 94  ? -32.140 -27.350 3.714  1.000 16.078 ? 167 GLN   AaA NE2 1 ? 
ATOM   771  N N   . SER   A 1 95  ? -32.465 -32.818 5.102  1.000 12.765 ? 168 SER   AaA N   1 ? 
ATOM   772  C CA  . SER   A 1 95  ? -32.370 -34.140 4.487  1.000 12.851 ? 168 SER   AaA CA  1 ? 
ATOM   773  C C   . SER   A 1 95  ? -31.122 -34.257 3.608  1.000 13.473 ? 168 SER   AaA C   1 ? 
ATOM   774  O O   . SER   A 1 95  ? -30.825 -33.317 2.842  1.000 15.728 ? 168 SER   AaA O   1 ? 
ATOM   775  C CB  . SER   A 1 95  ? -33.622 -34.366 3.683  1.000 13.628 ? 168 SER   AaA CB  1 ? 
ATOM   776  O OG  . SER   A 1 95  ? -33.509 -35.633 3.068  1.000 15.981 ? 168 SER   AaA OG  1 ? 
ATOM   777  N N   . GLU   A 1 96  ? -30.449 -35.391 3.667  1.000 14.002 ? 169 GLU   AaA N   1 ? 
ATOM   778  C CA  . GLU   A 1 96  ? -29.415 -35.782 2.669  1.000 14.438 ? 169 GLU   AaA CA  1 ? 
ATOM   779  C C   . GLU   A 1 96  ? -29.937 -36.980 1.878  1.000 14.526 ? 169 GLU   AaA C   1 ? 
ATOM   780  O O   . GLU   A 1 96  ? -29.222 -37.951 1.668  1.000 15.620 ? 169 GLU   AaA O   1 ? 
ATOM   781  C CB  . GLU   A 1 96  ? -28.031 -35.991 3.254  1.000 16.381 ? 169 GLU   AaA CB  1 ? 
ATOM   782  C CG  . GLU   A 1 96  ? -27.516 -34.721 3.879  1.000 19.486 ? 169 GLU   AaA CG  1 ? 
ATOM   783  C CD  . GLU   A 1 96  ? -26.026 -34.713 4.154  1.000 23.459 ? 169 GLU   AaA CD  1 ? 
ATOM   784  O OE1 . GLU   A 1 96  ? -25.470 -35.785 4.410  1.000 29.879 ? 169 GLU   AaA OE1 1 ? 
ATOM   785  O OE2 . GLU   A 1 96  ? -25.454 -33.619 4.129  1.000 25.812 ? 169 GLU   AaA OE2 1 ? 
ATOM   786  N N   . GLY   A 1 97  ? -31.198 -36.935 1.478  1.000 15.164 ? 170 GLY   AaA N   1 ? 
ATOM   787  C CA  . GLY   A 1 97  ? -31.778 -38.023 0.668  1.000 15.204 ? 170 GLY   AaA CA  1 ? 
ATOM   788  C C   . GLY   A 1 97  ? -31.679 -39.329 1.421  1.000 16.965 ? 170 GLY   AaA C   1 ? 
ATOM   789  O O   . GLY   A 1 97  ? -31.948 -39.396 2.643  1.000 18.349 ? 170 GLY   AaA O   1 ? 
ATOM   790  N N   . ARG   A 1 98  ? -31.232 -40.369 0.746  1.000 16.015 ? 171 ARG   AaA N   1 ? 
ATOM   791  C CA  . ARG   A 1 98  ? -31.096 -41.705 1.368  1.000 16.643 ? 171 ARG   AaA CA  1 ? 
ATOM   792  C C   . ARG   A 1 98  ? -29.850 -41.781 2.230  1.000 17.650 ? 171 ARG   AaA C   1 ? 
ATOM   793  O O   . ARG   A 1 98  ? -29.751 -42.749 3.013  1.000 17.192 ? 171 ARG   AaA O   1 ? 
ATOM   794  C CB  . ARG   A 1 98  ? -30.842 -42.797 0.322  1.000 20.579 ? 171 ARG   AaA CB  1 ? 
ATOM   795  C CG  . ARG   A 1 98  ? -31.842 -42.856 -0.801 1.000 24.325 ? 171 ARG   AaA CG  1 ? 
ATOM   796  C CD  . ARG   A 1 98  ? -33.174 -43.026 -0.219 1.000 23.400 ? 171 ARG   AaA CD  1 ? 
ATOM   797  N NE  . ARG   A 1 98  ? -34.163 -43.229 -1.259 1.000 25.620 ? 171 ARG   AaA NE  1 ? 
ATOM   798  C CZ  . ARG   A 1 98  ? -35.453 -43.245 -0.998 1.000 26.774 ? 171 ARG   AaA CZ  1 ? 
ATOM   799  N NH1 . ARG   A 1 98  ? -36.316 -43.365 -1.987 1.000 27.288 ? 171 ARG   AaA NH1 1 ? 
ATOM   800  N NH2 . ARG   A 1 98  ? -35.867 -43.163 0.273  1.000 27.287 ? 171 ARG   AaA NH2 1 ? 
ATOM   801  N N   . ILE   A 1 99  ? -28.902 -40.885 2.055  1.000 16.042 ? 172 ILE   AaA N   1 ? 
ATOM   802  C CA  . ILE   A 1 99  ? -27.580 -40.989 2.732  1.000 16.878 ? 172 ILE   AaA CA  1 ? 
ATOM   803  C C   . ILE   A 1 99  ? -27.745 -40.824 4.240  1.000 16.506 ? 172 ILE   AaA C   1 ? 
ATOM   804  O O   . ILE   A 1 99  ? -27.096 -41.559 5.030  1.000 17.860 ? 172 ILE   AaA O   1 ? 
ATOM   805  C CB  . ILE   A 1 99  ? -26.607 -39.955 2.185  1.000 19.852 ? 172 ILE   AaA CB  1 ? 
ATOM   806  C CG1 . ILE   A 1 99  ? -26.287 -40.245 0.719  1.000 20.893 ? 172 ILE   AaA CG1 1 ? 
ATOM   807  C CG2 . ILE   A 1 99  ? -25.342 -39.903 3.030  1.000 21.707 ? 172 ILE   AaA CG2 1 ? 
ATOM   808  C CD1 . ILE   A 1 99  ? -25.432 -39.200 0.070  1.000 25.089 ? 172 ILE   AaA CD1 1 ? 
ATOM   809  N N   . GLY   A 1 100 ? -28.484 -39.807 4.664  1.000 15.432 ? 173 GLY   AaA N   1 ? 
ATOM   810  C CA  . GLY   A 1 100 ? -28.544 -39.465 6.089  1.000 14.874 ? 173 GLY   AaA CA  1 ? 
ATOM   811  C C   . GLY   A 1 100 ? -29.124 -38.081 6.229  1.000 15.281 ? 173 GLY   AaA C   1 ? 
ATOM   812  O O   . GLY   A 1 100 ? -30.024 -37.666 5.440  1.000 14.912 ? 173 GLY   AaA O   1 ? 
ATOM   813  N N   . THR   A 1 101 ? -28.693 -37.420 7.283  1.000 13.451 ? 174 THR   AaA N   1 ? 
ATOM   814  C CA  . THR   A 1 101 ? -29.289 -36.187 7.776  1.000 13.518 ? 174 THR   AaA CA  1 ? 
ATOM   815  C C   . THR   A 1 101 ? -28.162 -35.235 8.159  1.000 13.459 ? 174 THR   AaA C   1 ? 
ATOM   816  O O   . THR   A 1 101 ? -27.209 -35.650 8.838  1.000 14.484 ? 174 THR   AaA O   1 ? 
ATOM   817  C CB  . THR   A 1 101 ? -30.173 -36.470 8.984  1.000 14.757 ? 174 THR   AaA CB  1 ? 
ATOM   818  O OG1 . THR   A 1 101 ? -30.988 -37.625 8.701  1.000 15.823 ? 174 THR   AaA OG1 1 ? 
ATOM   819  C CG2 . THR   A 1 101 ? -30.957 -35.237 9.361  1.000 15.545 ? 174 THR   AaA CG2 1 ? 
ATOM   820  N N   . ARG   A 1 102 ? -28.252 -33.988 7.724  1.000 12.533 ? 175 ARG   AaA N   1 ? 
ATOM   821  C CA  . ARG   A 1 102 ? -27.258 -32.953 8.059  1.000 13.636 ? 175 ARG   AaA CA  1 ? 
ATOM   822  C C   . ARG   A 1 102 ? -27.777 -32.147 9.238  1.000 12.669 ? 175 ARG   AaA C   1 ? 
ATOM   823  O O   . ARG   A 1 102 ? -28.955 -31.767 9.239  1.000 13.560 ? 175 ARG   AaA O   1 ? 
ATOM   824  C CB  . ARG   A 1 102 ? -27.011 -32.057 6.853  1.000 14.529 ? 175 ARG   AaA CB  1 ? 
ATOM   825  C CG  . ARG   A 1 102 ? -25.604 -31.507 6.809  1.000 17.292 ? 175 ARG   AaA CG  1 ? 
ATOM   826  C CD  . ARG   A 1 102 ? -25.376 -30.620 5.612  1.000 17.148 ? 175 ARG   AaA CD  1 ? 
ATOM   827  N NE  . ARG   A 1 102 ? -26.000 -29.337 5.833  1.000 17.264 ? 175 ARG   AaA NE  1 ? 
ATOM   828  C CZ  . ARG   A 1 102 ? -27.030 -28.805 5.182  1.000 18.068 ? 175 ARG   AaA CZ  1 ? 
ATOM   829  N NH1 . ARG   A 1 102 ? -27.385 -27.607 5.551  1.000 18.670 ? 175 ARG   AaA NH1 1 ? 
ATOM   830  N NH2 . ARG   A 1 102 ? -27.623 -29.357 4.135  1.000 19.368 ? 175 ARG   AaA NH2 1 ? 
ATOM   831  N N   . ARG   A 1 103 ? -26.935 -31.839 10.218 1.000 12.549 ? 176 ARG   AaA N   1 ? 
ATOM   832  C CA  . ARG   A 1 103 ? -27.221 -30.794 11.221 1.000 12.957 ? 176 ARG   AaA CA  1 ? 
ATOM   833  C C   . ARG   A 1 103 ? -26.150 -29.731 11.134 1.000 12.642 ? 176 ARG   AaA C   1 ? 
ATOM   834  O O   . ARG   A 1 103 ? -24.940 -30.047 11.159 1.000 13.545 ? 176 ARG   AaA O   1 ? 
ATOM   835  C CB  . ARG   A 1 103 ? -27.298 -31.354 12.640 1.000 13.512 ? 176 ARG   AaA CB  1 ? 
ATOM   836  C CG  . ARG   A 1 103 ? -27.558 -30.257 13.667 1.000 13.327 ? 176 ARG   AaA CG  1 ? 
ATOM   837  C CD  . ARG   A 1 103 ? -27.864 -30.759 15.045 1.000 13.088 ? 176 ARG   AaA CD  1 ? 
ATOM   838  N NE  . ARG   A 1 103 ? -29.147 -31.378 15.173 1.000 12.807 ? 176 ARG   AaA NE  1 ? 
ATOM   839  C CZ  . ARG   A 1 103 ? -30.302 -30.756 15.316 1.000 13.202 ? 176 ARG   AaA CZ  1 ? 
ATOM   840  N NH1 . ARG   A 1 103 ? -31.395 -31.472 15.458 1.000 14.038 ? 176 ARG   AaA NH1 1 ? 
ATOM   841  N NH2 . ARG   A 1 103 ? -30.387 -29.432 15.334 1.000 13.712 ? 176 ARG   AaA NH2 1 ? 
ATOM   842  N N   . ASP   A 1 104 ? -26.572 -28.488 11.037 1.000 13.160 ? 177 ASP   AaA N   1 ? 
ATOM   843  C CA  . ASP   A 1 104 ? -25.697 -27.301 10.973 1.000 14.067 ? 177 ASP   AaA CA  1 ? 
ATOM   844  C C   . ASP   A 1 104 ? -25.919 -26.422 12.203 1.000 12.601 ? 177 ASP   AaA C   1 ? 
ATOM   845  O O   . ASP   A 1 104 ? -26.981 -26.446 12.794 1.000 12.847 ? 177 ASP   AaA O   1 ? 
ATOM   846  C CB  . ASP   A 1 104 ? -25.972 -26.480 9.711  1.000 14.389 ? 177 ASP   AaA CB  1 ? 
ATOM   847  C CG  . ASP   A 1 104 ? -25.437 -27.101 8.433  1.000 15.833 ? 177 ASP   AaA CG  1 ? 
ATOM   848  O OD1 . ASP   A 1 104 ? -25.052 -28.293 8.469  1.000 16.397 ? 177 ASP   AaA OD1 1 ? 
ATOM   849  O OD2 . ASP   A 1 104 ? -25.429 -26.415 7.383  1.000 18.127 ? 177 ASP   AaA OD2 1 ? 
ATOM   850  N N   . TRP   A 1 105 ? -24.887 -25.694 12.526 1.000 12.857 ? 178 TRP   AaA N   1 ? 
ATOM   851  C CA  . TRP   A 1 105 ? -24.964 -24.691 13.606 1.000 13.309 ? 178 TRP   AaA CA  1 ? 
ATOM   852  C C   . TRP   A 1 105 ? -24.238 -23.412 13.200 1.000 14.047 ? 178 TRP   AaA C   1 ? 
ATOM   853  O O   . TRP   A 1 105 ? -23.201 -23.469 12.554 1.000 13.896 ? 178 TRP   AaA O   1 ? 
ATOM   854  C CB  . TRP   A 1 105 ? -24.293 -25.214 14.878 1.000 13.796 ? 178 TRP   AaA CB  1 ? 
ATOM   855  C CG  . TRP   A 1 105 ? -24.741 -26.507 15.485 1.000 12.808 ? 178 TRP   AaA CG  1 ? 
ATOM   856  C CD1 . TRP   A 1 105 ? -25.484 -26.604 16.632 1.000 13.589 ? 178 TRP   AaA CD1 1 ? 
ATOM   857  C CD2 . TRP   A 1 105 ? -24.394 -27.858 15.132 1.000 13.104 ? 178 TRP   AaA CD2 1 ? 
ATOM   858  N NE1 . TRP   A 1 105 ? -25.620 -27.894 17.005 1.000 13.008 ? 178 TRP   AaA NE1 1 ? 
ATOM   859  C CE2 . TRP   A 1 105 ? -24.944 -28.685 16.125 1.000 12.942 ? 178 TRP   AaA CE2 1 ? 
ATOM   860  C CE3 . TRP   A 1 105 ? -23.617 -28.436 14.122 1.000 13.490 ? 178 TRP   AaA CE3 1 ? 
ATOM   861  C CZ2 . TRP   A 1 105 ? -24.753 -30.069 16.139 1.000 13.503 ? 178 TRP   AaA CZ2 1 ? 
ATOM   862  C CZ3 . TRP   A 1 105 ? -23.438 -29.805 14.127 1.000 14.560 ? 178 TRP   AaA CZ3 1 ? 
ATOM   863  C CH2 . TRP   A 1 105 ? -23.995 -30.606 15.128 1.000 14.313 ? 178 TRP   AaA CH2 1 ? 
ATOM   864  N N   . ILE   A 1 106 ? -24.703 -22.287 13.741 1.000 14.941 ? 179 ILE   AaA N   1 ? 
ATOM   865  C CA  . ILE   A 1 106 ? -24.017 -20.976 13.708 1.000 15.139 ? 179 ILE   AaA CA  1 ? 
ATOM   866  C C   . ILE   A 1 106 ? -23.934 -20.467 15.142 1.000 14.538 ? 179 ILE   AaA C   1 ? 
ATOM   867  O O   . ILE   A 1 106 ? -24.967 -20.461 15.834 1.000 14.974 ? 179 ILE   AaA O   1 ? 
ATOM   868  C CB  . ILE   A 1 106 ? -24.749 -19.973 12.824 1.000 16.492 ? 179 ILE   AaA CB  1 ? 
ATOM   869  C CG1 . ILE   A 1 106 ? -24.777 -20.485 11.388 1.000 17.632 ? 179 ILE   AaA CG1 1 ? 
ATOM   870  C CG2 . ILE   A 1 106 ? -24.098 -18.604 12.975 1.000 17.203 ? 179 ILE   AaA CG2 1 ? 
ATOM   871  C CD1 . ILE   A 1 106 ? -23.494 -20.495 10.689 1.000 21.799 ? 179 ILE   AaA CD1 1 ? 
ATOM   872  N N   . LEU   A 1 107 ? -22.716 -20.054 15.523 1.000 16.434 ? 180 LEU   AaA N   1 ? 
ATOM   873  C CA  . LEU   A 1 107 ? -22.487 -19.465 16.867 1.000 16.392 ? 180 LEU   AaA CA  1 ? 
ATOM   874  C C   . LEU   A 1 107 ? -22.275 -17.973 16.706 1.000 16.340 ? 180 LEU   AaA C   1 ? 
ATOM   875  O O   . LEU   A 1 107 ? -21.506 -17.610 15.845 1.000 17.487 ? 180 LEU   AaA O   1 ? 
ATOM   876  C CB  . LEU   A 1 107 ? -21.252 -20.074 17.533 1.000 16.956 ? 180 LEU   AaA CB  1 ? 
ATOM   877  C CG  . LEU   A 1 107 ? -21.305 -21.571 17.750 1.000 18.868 ? 180 LEU   AaA CG  1 ? 
ATOM   878  C CD1 . LEU   A 1 107 ? -20.780 -22.322 16.556 1.000 20.400 ? 180 LEU   AaA CD1 1 ? 
ATOM   879  C CD2 . LEU   A 1 107 ? -20.539 -21.949 19.021 1.000 20.978 ? 180 LEU   AaA CD2 1 ? 
ATOM   880  N N   . LYS   A 1 108 ? -22.944 -17.216 17.552 1.000 17.794 ? 181 LYS   AaA N   1 ? 
ATOM   881  C CA  . LYS   A 1 108 ? -22.806 -15.742 17.584 1.000 19.201 ? 181 LYS   AaA CA  1 ? 
ATOM   882  C C   . LYS   A 1 108 ? -22.452 -15.300 18.997 1.000 18.737 ? 181 LYS   AaA C   1 ? 
ATOM   883  O O   . LYS   A 1 108 ? -22.913 -15.873 19.942 1.000 20.087 ? 181 LYS   AaA O   1 ? 
ATOM   884  C CB  . LYS   A 1 108 ? -24.116 -15.104 17.143 1.000 21.320 ? 181 LYS   AaA CB  1 ? 
ATOM   885  C CG  . LYS   A 1 108 ? -24.371 -15.236 15.662 1.000 22.812 ? 181 LYS   AaA CG  1 ? 
ATOM   886  C CD  . LYS   A 1 108 ? -25.686 -14.583 15.233 1.000 25.257 ? 181 LYS   AaA CD  1 ? 
ATOM   887  C CE  . LYS   A 1 108 ? -25.780 -14.512 13.727 1.000 28.299 ? 181 LYS   AaA CE  1 ? 
ATOM   888  N NZ  . LYS   A 1 108 ? -27.053 -13.879 13.284 1.000 31.100 ? 181 LYS   AaA NZ  1 ? 
ATOM   889  N N   . ASP   A 1 109 ? -21.733 -14.187 19.061 1.000 23.953 ? 182 ASP   AaA N   1 ? 
ATOM   890  C CA  . ASP   A 1 109 ? -21.638 -13.364 20.283 1.000 24.424 ? 182 ASP   AaA CA  1 ? 
ATOM   891  C C   . ASP   A 1 109 ? -22.952 -12.600 20.351 1.000 24.006 ? 182 ASP   AaA C   1 ? 
ATOM   892  O O   . ASP   A 1 109 ? -23.228 -11.833 19.396 1.000 27.656 ? 182 ASP   AaA O   1 ? 
ATOM   893  C CB  . ASP   A 1 109 ? -20.405 -12.474 20.199 1.000 26.750 ? 182 ASP   AaA CB  1 ? 
ATOM   894  C CG  . ASP   A 1 109 ? -20.244 -11.461 21.321 1.000 32.856 ? 182 ASP   AaA CG  1 ? 
ATOM   895  O OD1 . ASP   A 1 109 ? -21.261 -10.997 21.857 1.000 35.207 ? 182 ASP   AaA OD1 1 ? 
ATOM   896  O OD2 . ASP   A 1 109 ? -19.095 -11.163 21.639 1.000 38.614 ? 182 ASP   AaA OD2 1 ? 
ATOM   897  N N   . SER   A 1 110 ? -23.718 -12.850 21.396 1.000 25.907 ? 183 SER   AaA N   1 ? 
ATOM   898  C CA  . SER   A 1 110 ? -25.074 -12.287 21.630 1.000 32.855 ? 183 SER   AaA CA  1 ? 
ATOM   899  C C   . SER   A 1 110 ? -25.045 -10.761 21.691 1.000 35.519 ? 183 SER   AaA C   1 ? 
ATOM   900  O O   . SER   A 1 110 ? -26.090 -10.144 21.381 1.000 36.158 ? 183 SER   AaA O   1 ? 
ATOM   901  C CB  . SER   A 1 110 ? -25.667 -12.826 22.893 1.000 34.421 ? 183 SER   AaA CB  1 ? 
ATOM   902  O OG  . SER   A 1 110 ? -26.451 -13.973 22.622 1.000 41.042 ? 183 SER   AaA OG  1 ? 
ATOM   903  N N   . VAL   A 1 111 ? -23.928 -10.177 22.123 1.000 35.191 ? 184 VAL   AaA N   1 ? 
ATOM   904  C CA  . VAL   A 1 111 ? -23.811 -8.699  22.313 1.000 37.544 ? 184 VAL   AaA CA  1 ? 
ATOM   905  C C   . VAL   A 1 111 ? -23.574 -8.031  20.951 1.000 39.327 ? 184 VAL   AaA C   1 ? 
ATOM   906  O O   . VAL   A 1 111 ? -24.360 -7.117  20.597 1.000 42.858 ? 184 VAL   AaA O   1 ? 
ATOM   907  C CB  . VAL   A 1 111 ? -22.743 -8.348  23.368 1.000 37.637 ? 184 VAL   AaA CB  1 ? 
ATOM   908  C CG1 . VAL   A 1 111 ? -22.291 -6.896  23.272 1.000 39.291 ? 184 VAL   AaA CG1 1 ? 
ATOM   909  C CG2 . VAL   A 1 111 ? -23.253 -8.643  24.768 1.000 38.306 ? 184 VAL   AaA CG2 1 ? 
ATOM   910  N N   . THR   A 1 112 ? -22.551 -8.450  20.207 1.000 36.962 ? 185 THR   AaA N   1 ? 
ATOM   911  C CA  . THR   A 1 112 ? -22.156 -7.807  18.921 1.000 34.877 ? 185 THR   AaA CA  1 ? 
ATOM   912  C C   . THR   A 1 112 ? -22.967 -8.363  17.748 1.000 34.944 ? 185 THR   AaA C   1 ? 
ATOM   913  O O   . THR   A 1 112 ? -22.914 -7.749  16.666 1.000 38.507 ? 185 THR   AaA O   1 ? 
ATOM   914  C CB  . THR   A 1 112 ? -20.670 -8.017  18.627 1.000 38.928 ? 185 THR   AaA CB  1 ? 
ATOM   915  O OG1 . THR   A 1 112 ? -20.508 -9.435  18.545 1.000 37.406 ? 185 THR   AaA OG1 1 ? 
ATOM   916  C CG2 . THR   A 1 112 ? -19.755 -7.428  19.679 1.000 39.889 ? 185 THR   AaA CG2 1 ? 
ATOM   917  N N   . GLY   A 1 113 ? -23.615 -9.525  17.919 1.000 32.292 ? 186 GLY   AaA N   1 ? 
ATOM   918  C CA  . GLY   A 1 113 ? -24.311 -10.235 16.830 1.000 30.559 ? 186 GLY   AaA CA  1 ? 
ATOM   919  C C   . GLY   A 1 113 ? -23.363 -10.806 15.792 1.000 33.008 ? 186 GLY   AaA C   1 ? 
ATOM   920  O O   . GLY   A 1 113 ? -23.868 -11.324 14.784 1.000 36.105 ? 186 GLY   AaA O   1 ? 
ATOM   921  N N   . GLU   A 1 114 ? -22.048 -10.751 16.026 1.000 30.661 ? 187 GLU   AaA N   1 ? 
ATOM   922  C CA  . GLU   A 1 114 ? -21.058 -11.272 15.062 1.000 29.730 ? 187 GLU   AaA CA  1 ? 
ATOM   923  C C   . GLU   A 1 114 ? -21.055 -12.802 15.152 1.000 24.818 ? 187 GLU   AaA C   1 ? 
ATOM   924  O O   . GLU   A 1 114 ? -21.132 -13.367 16.256 1.000 22.180 ? 187 GLU   AaA O   1 ? 
ATOM   925  C CB  . GLU   A 1 114 ? -19.650 -10.710 15.285 1.000 34.872 ? 187 GLU   AaA CB  1 ? 
ATOM   926  C CG  . GLU   A 1 114 ? -19.531 -9.217  14.987 1.000 42.875 ? 187 GLU   AaA CG  1 ? 
ATOM   927  C CD  . GLU   A 1 114 ? -19.954 -8.758  13.596 1.000 49.652 ? 187 GLU   AaA CD  1 ? 
ATOM   928  O OE1 . GLU   A 1 114 ? -19.682 -9.480  12.605 1.000 56.444 ? 187 GLU   AaA OE1 1 ? 
ATOM   929  O OE2 . GLU   A 1 114 ? -20.557 -7.669  13.498 1.000 61.361 ? 187 GLU   AaA OE2 1 ? 
ATOM   930  N N   . VAL   A 1 115 ? -20.914 -13.418 13.993 1.000 24.014 ? 188 VAL   AaA N   1 ? 
ATOM   931  C CA  . VAL   A 1 115 ? -20.694 -14.882 13.901 1.000 22.273 ? 188 VAL   AaA CA  1 ? 
ATOM   932  C C   . VAL   A 1 115 ? -19.293 -15.149 14.425 1.000 21.870 ? 188 VAL   AaA C   1 ? 
ATOM   933  O O   . VAL   A 1 115 ? -18.306 -14.605 13.893 1.000 24.922 ? 188 VAL   AaA O   1 ? 
ATOM   934  C CB  . VAL   A 1 115 ? -20.840 -15.378 12.465 1.000 23.126 ? 188 VAL   AaA CB  1 ? 
ATOM   935  C CG1 . VAL   A 1 115 ? -20.429 -16.834 12.376 1.000 22.857 ? 188 VAL   AaA CG1 1 ? 
ATOM   936  C CG2 . VAL   A 1 115 ? -22.271 -15.180 11.987 1.000 25.567 ? 188 VAL   AaA CG2 1 ? 
ATOM   937  N N   . THR   A 1 116 ? -19.204 -16.028 15.398 1.000 18.782 ? 189 THR   AaA N   1 ? 
ATOM   938  C CA  . THR   A 1 116 ? -17.931 -16.410 16.036 1.000 20.159 ? 189 THR   AaA CA  1 ? 
ATOM   939  C C   . THR   A 1 116 ? -17.574 -17.867 15.717 1.000 19.172 ? 189 THR   AaA C   1 ? 
ATOM   940  O O   . THR   A 1 116 ? -16.419 -18.244 15.983 1.000 18.252 ? 189 THR   AaA O   1 ? 
ATOM   941  C CB  . THR   A 1 116 ? -18.005 -16.240 17.551 1.000 20.841 ? 189 THR   AaA CB  1 ? 
ATOM   942  O OG1 . THR   A 1 116 ? -19.105 -16.928 18.123 1.000 20.361 ? 189 THR   AaA OG1 1 ? 
ATOM   943  C CG2 . THR   A 1 116 ? -18.152 -14.790 17.961 1.000 22.374 ? 189 THR   AaA CG2 1 ? 
ATOM   944  N N   . GLY   A 1 117 ? -18.475 -18.635 15.095 1.000 18.229 ? 190 GLY   AaA N   1 ? 
ATOM   945  C CA  . GLY   A 1 117 ? -18.161 -20.030 14.751 1.000 18.414 ? 190 GLY   AaA CA  1 ? 
ATOM   946  C C   . GLY   A 1 117 ? -19.239 -20.637 13.903 1.000 16.846 ? 190 GLY   AaA C   1 ? 
ATOM   947  O O   . GLY   A 1 117 ? -20.358 -20.111 13.880 1.000 17.400 ? 190 GLY   AaA O   1 ? 
ATOM   948  N N   . ARG   A 1 118 ? -18.909 -21.746 13.262 1.000 16.767 ? 191 ARG   AaA N   1 ? 
ATOM   949  C CA  A ARG   A 1 118 ? -19.896 -22.509 12.456 0.600 17.103 ? 191 ARG   AaA CA  1 ? 
ATOM   950  C CA  B ARG   A 1 118 ? -19.890 -22.513 12.459 0.400 16.582 ? 191 ARG   AaA CA  1 ? 
ATOM   951  C C   . ARG   A 1 118 ? -19.568 -24.002 12.488 1.000 16.314 ? 191 ARG   AaA C   1 ? 
ATOM   952  O O   . ARG   A 1 118 ? -18.385 -24.389 12.664 1.000 16.256 ? 191 ARG   AaA O   1 ? 
ATOM   953  C CB  A ARG   A 1 118 ? -20.046 -21.933 11.043 0.600 20.839 ? 191 ARG   AaA CB  1 ? 
ATOM   954  C CB  B ARG   A 1 118 ? -19.906 -22.008 11.019 0.400 18.023 ? 191 ARG   AaA CB  1 ? 
ATOM   955  C CG  A ARG   A 1 118 ? -18.772 -21.616 10.290 0.600 24.427 ? 191 ARG   AaA CG  1 ? 
ATOM   956  C CG  B ARG   A 1 118 ? -18.537 -21.888 10.387 0.400 19.292 ? 191 ARG   AaA CG  1 ? 
ATOM   957  C CD  A ARG   A 1 118 ? -19.110 -20.956 8.955  0.600 27.026 ? 191 ARG   AaA CD  1 ? 
ATOM   958  C CD  B ARG   A 1 118 ? -18.710 -21.436 8.954  0.400 20.122 ? 191 ARG   AaA CD  1 ? 
ATOM   959  N NE  A ARG   A 1 118 ? -18.986 -19.503 8.959  0.600 31.852 ? 191 ARG   AaA NE  1 ? 
ATOM   960  N NE  B ARG   A 1 118 ? -17.456 -21.349 8.241  0.400 20.409 ? 191 ARG   AaA NE  1 ? 
ATOM   961  C CZ  A ARG   A 1 118 ? -19.961 -18.609 8.758  0.600 29.425 ? 191 ARG   AaA CZ  1 ? 
ATOM   962  C CZ  B ARG   A 1 118 ? -17.384 -21.236 6.923  0.400 21.761 ? 191 ARG   AaA CZ  1 ? 
ATOM   963  N NH1 A ARG   A 1 118 ? -21.211 -18.975 8.508  0.600 30.673 ? 191 ARG   AaA NH1 1 ? 
ATOM   964  N NH1 B ARG   A 1 118 ? -18.497 -21.243 6.215  0.400 22.804 ? 191 ARG   AaA NH1 1 ? 
ATOM   965  N NH2 A ARG   A 1 118 ? -19.668 -17.323 8.788  0.600 34.834 ? 191 ARG   AaA NH2 1 ? 
ATOM   966  N NH2 B ARG   A 1 118 ? -16.215 -21.184 6.319  0.400 21.082 ? 191 ARG   AaA NH2 1 ? 
ATOM   967  N N   . ALA   A 1 119 ? -20.597 -24.811 12.332 1.000 15.362 ? 192 ALA   AaA N   1 ? 
ATOM   968  C CA  . ALA   A 1 119 ? -20.377 -26.266 12.339 1.000 15.252 ? 192 ALA   AaA CA  1 ? 
ATOM   969  C C   . ALA   A 1 119 ? -21.358 -26.941 11.395 1.000 14.832 ? 192 ALA   AaA C   1 ? 
ATOM   970  O O   . ALA   A 1 119 ? -22.493 -26.447 11.195 1.000 14.346 ? 192 ALA   AaA O   1 ? 
ATOM   971  C CB  . ALA   A 1 119 ? -20.479 -26.803 13.746 1.000 15.992 ? 192 ALA   AaA CB  1 ? 
ATOM   972  N N   . THR   A 1 120 ? -20.938 -28.081 10.872 1.000 15.373 ? 193 THR   AaA N   1 ? 
ATOM   973  C CA  . THR   A 1 120 ? -21.835 -28.953 10.099 1.000 15.001 ? 193 THR   AaA CA  1 ? 
ATOM   974  C C   . THR   A 1 120 ? -21.494 -30.385 10.425 1.000 15.561 ? 193 THR   AaA C   1 ? 
ATOM   975  O O   . THR   A 1 120 ? -20.329 -30.703 10.716 1.000 16.552 ? 193 THR   AaA O   1 ? 
ATOM   976  C CB  . THR   A 1 120 ? -21.765 -28.637 8.601  1.000 15.957 ? 193 THR   AaA CB  1 ? 
ATOM   977  O OG1 . THR   A 1 120 ? -22.741 -29.415 7.915  1.000 16.981 ? 193 THR   AaA OG1 1 ? 
ATOM   978  C CG2 . THR   A 1 120 ? -20.410 -28.902 8.008  1.000 16.493 ? 193 THR   AaA CG2 1 ? 
ATOM   979  N N   . SER   A 1 121 ? -22.487 -31.229 10.350 1.000 13.867 ? 194 SER   AaA N   1 ? 
ATOM   980  C CA  . SER   A 1 121 ? -22.329 -32.652 10.680 1.000 14.395 ? 194 SER   AaA CA  1 ? 
ATOM   981  C C   . SER   A 1 121 ? -23.199 -33.478 9.764  1.000 14.508 ? 194 SER   AaA C   1 ? 
ATOM   982  O O   . SER   A 1 121 ? -24.355 -33.057 9.448  1.000 16.033 ? 194 SER   AaA O   1 ? 
ATOM   983  C CB  . SER   A 1 121 ? -22.661 -32.838 12.153 1.000 15.171 ? 194 SER   AaA CB  1 ? 
ATOM   984  O OG  . SER   A 1 121 ? -24.006 -32.492 12.431 1.000 15.010 ? 194 SER   AaA OG  1 ? 
ATOM   985  N N   . LYS   A 1 122 ? -22.730 -34.677 9.479  1.000 14.786 ? 195 LYS   AaA N   1 ? 
ATOM   986  C CA  . LYS   A 1 122 ? -23.490 -35.709 8.753  1.000 14.718 ? 195 LYS   AaA CA  1 ? 
ATOM   987  C C   . LYS   A 1 122 ? -23.773 -36.827 9.729  1.000 14.815 ? 195 LYS   AaA C   1 ? 
ATOM   988  O O   . LYS   A 1 122 ? -22.821 -37.345 10.329 1.000 16.905 ? 195 LYS   AaA O   1 ? 
ATOM   989  C CB  . LYS   A 1 122 ? -22.692 -36.259 7.576  1.000 17.261 ? 195 LYS   AaA CB  1 ? 
ATOM   990  C CG  . LYS   A 1 122 ? -23.297 -37.445 6.852  1.000 20.399 ? 195 LYS   AaA CG  1 ? 
ATOM   991  C CD  . LYS   A 1 122 ? -22.422 -37.814 5.653  1.000 24.011 ? 195 LYS   AaA CD  1 ? 
ATOM   992  C CE  . LYS   A 1 122 ? -22.574 -39.230 5.163  1.000 30.589 ? 195 LYS   AaA CE  1 ? 
ATOM   993  N NZ  . LYS   A 1 122 ? -21.726 -39.400 3.952  1.000 32.649 ? 195 LYS   AaA NZ  1 ? 
ATOM   994  N N   . TRP   A 1 123 ? -25.031 -37.173 9.842  1.000 13.678 ? 196 TRP   AaA N   1 ? 
ATOM   995  C CA  . TRP   A 1 123 ? -25.520 -38.249 10.718 1.000 14.541 ? 196 TRP   AaA CA  1 ? 
ATOM   996  C C   . TRP   A 1 123 ? -26.144 -39.307 9.816  1.000 14.787 ? 196 TRP   AaA C   1 ? 
ATOM   997  O O   . TRP   A 1 123 ? -26.837 -38.981 8.837  1.000 17.180 ? 196 TRP   AaA O   1 ? 
ATOM   998  C CB  . TRP   A 1 123 ? -26.540 -37.714 11.700 1.000 15.383 ? 196 TRP   AaA CB  1 ? 
ATOM   999  C CG  . TRP   A 1 123 ? -25.978 -36.703 12.640 1.000 14.851 ? 196 TRP   AaA CG  1 ? 
ATOM   1000 C CD1 . TRP   A 1 123 ? -25.726 -35.397 12.358 1.000 15.101 ? 196 TRP   AaA CD1 1 ? 
ATOM   1001 C CD2 . TRP   A 1 123 ? -25.631 -36.893 14.024 1.000 15.259 ? 196 TRP   AaA CD2 1 ? 
ATOM   1002 N NE1 . TRP   A 1 123 ? -25.201 -34.778 13.452 1.000 15.481 ? 196 TRP   AaA NE1 1 ? 
ATOM   1003 C CE2 . TRP   A 1 123 ? -25.193 -35.648 14.498 1.000 15.705 ? 196 TRP   AaA CE2 1 ? 
ATOM   1004 C CE3 . TRP   A 1 123 ? -25.681 -37.985 14.893 1.000 16.165 ? 196 TRP   AaA CE3 1 ? 
ATOM   1005 C CZ2 . TRP   A 1 123 ? -24.761 -35.475 15.809 1.000 17.449 ? 196 TRP   AaA CZ2 1 ? 
ATOM   1006 C CZ3 . TRP   A 1 123 ? -25.353 -37.793 16.216 1.000 18.058 ? 196 TRP   AaA CZ3 1 ? 
ATOM   1007 C CH2 . TRP   A 1 123 ? -24.892 -36.555 16.645 1.000 16.822 ? 196 TRP   AaA CH2 1 ? 
ATOM   1008 N N   . VAL   A 1 124 ? -25.942 -40.568 10.158 1.000 14.559 ? 197 VAL   AaA N   1 ? 
ATOM   1009 C CA  . VAL   A 1 124 ? -26.466 -41.715 9.388  1.000 15.508 ? 197 VAL   AaA CA  1 ? 
ATOM   1010 C C   . VAL   A 1 124 ? -27.284 -42.619 10.307 1.000 16.130 ? 197 VAL   AaA C   1 ? 
ATOM   1011 O O   . VAL   A 1 124 ? -27.133 -42.542 11.532 1.000 17.140 ? 197 VAL   AaA O   1 ? 
ATOM   1012 C CB  . VAL   A 1 124 ? -25.337 -42.475 8.687  1.000 16.300 ? 197 VAL   AaA CB  1 ? 
ATOM   1013 C CG1 . VAL   A 1 124 ? -24.626 -41.617 7.652  1.000 17.349 ? 197 VAL   AaA CG1 1 ? 
ATOM   1014 C CG2 . VAL   A 1 124 ? -24.352 -43.057 9.683  1.000 17.531 ? 197 VAL   AaA CG2 1 ? 
ATOM   1015 N N   . MET   A 1 125 ? -28.209 -43.375 9.720  1.000 16.556 ? 198 MET   AaA N   1 ? 
ATOM   1016 C CA  . MET   A 1 125 ? -29.019 -44.391 10.427 1.000 17.353 ? 198 MET   AaA CA  1 ? 
ATOM   1017 C C   . MET   A 1 125 ? -28.144 -45.597 10.746 1.000 18.833 ? 198 MET   AaA C   1 ? 
ATOM   1018 O O   . MET   A 1 125 ? -27.414 -46.074 9.874  1.000 18.934 ? 198 MET   AaA O   1 ? 
ATOM   1019 C CB  . MET   A 1 125 ? -30.154 -44.965 9.569  1.000 20.449 ? 198 MET   AaA CB  1 ? 
ATOM   1020 C CG  . MET   A 1 125 ? -31.145 -43.978 9.009  1.000 22.111 ? 198 MET   AaA CG  1 ? 
ATOM   1021 S SD  . MET   A 1 125 ? -32.320 -43.394 10.251 1.000 23.277 ? 198 MET   AaA SD  1 ? 
ATOM   1022 C CE  . MET   A 1 125 ? -31.476 -41.921 10.804 1.000 24.416 ? 198 MET   AaA CE  1 ? 
ATOM   1023 N N   . MET   A 1 126 ? -28.272 -46.122 11.953 1.000 16.960 ? 199 MET   AaA N   1 ? 
ATOM   1024 C CA  . MET   A 1 126 ? -27.573 -47.378 12.346 1.000 19.184 ? 199 MET   AaA CA  1 ? 
ATOM   1025 C C   . MET   A 1 126 ? -28.562 -48.189 13.174 1.000 18.478 ? 199 MET   AaA C   1 ? 
ATOM   1026 O O   . MET   A 1 126 ? -29.288 -47.605 14.031 1.000 18.790 ? 199 MET   AaA O   1 ? 
ATOM   1027 C CB  . MET   A 1 126 ? -26.338 -47.041 13.199 1.000 21.213 ? 199 MET   AaA CB  1 ? 
ATOM   1028 C CG  . MET   A 1 126 ? -25.426 -48.230 13.560 1.000 24.517 ? 199 MET   AaA CG  1 ? 
ATOM   1029 S SD  . MET   A 1 126 ? -24.073 -47.804 14.725 1.000 25.876 ? 199 MET   AaA SD  1 ? 
ATOM   1030 C CE  . MET   A 1 126 ? -24.964 -47.684 16.267 1.000 25.656 ? 199 MET   AaA CE  1 ? 
ATOM   1031 N N   . ASN   A 1 127 ? -28.612 -49.499 12.950 1.000 16.984 ? 200 ASN   AaA N   1 ? 
ATOM   1032 C CA  . ASN   A 1 127 ? -29.379 -50.363 13.875 1.000 17.792 ? 200 ASN   AaA CA  1 ? 
ATOM   1033 C C   . ASN   A 1 127 ? -28.637 -50.338 15.209 1.000 17.009 ? 200 ASN   AaA C   1 ? 
ATOM   1034 O O   . ASN   A 1 127 ? -27.423 -50.574 15.250 1.000 16.985 ? 200 ASN   AaA O   1 ? 
ATOM   1035 C CB  . ASN   A 1 127 ? -29.537 -51.771 13.311 1.000 16.323 ? 200 ASN   AaA CB  1 ? 
ATOM   1036 C CG  . ASN   A 1 127 ? -30.257 -52.682 14.282 1.000 15.628 ? 200 ASN   AaA CG  1 ? 
ATOM   1037 O OD1 . ASN   A 1 127 ? -29.668 -53.107 15.248 1.000 17.592 ? 200 ASN   AaA OD1 1 ? 
ATOM   1038 N ND2 . ASN   A 1 127 ? -31.546 -52.926 14.090 1.000 15.845 ? 200 ASN   AaA ND2 1 ? 
ATOM   1039 N N   . GLN   A 1 128 ? -29.344 -50.066 16.302 1.000 18.760 ? 201 GLN   AaA N   1 ? 
ATOM   1040 C CA  . GLN   A 1 128 ? -28.668 -49.843 17.599 1.000 22.084 ? 201 GLN   AaA CA  1 ? 
ATOM   1041 C C   . GLN   A 1 128 ? -28.085 -51.145 18.145 1.000 20.891 ? 201 GLN   AaA C   1 ? 
ATOM   1042 O O   . GLN   A 1 128 ? -27.121 -51.092 18.914 1.000 23.045 ? 201 GLN   AaA O   1 ? 
ATOM   1043 C CB  . GLN   A 1 128 ? -29.600 -49.171 18.598 1.000 23.810 ? 201 GLN   AaA CB  1 ? 
ATOM   1044 C CG  . GLN   A 1 128 ? -30.806 -49.972 18.998 1.000 26.067 ? 201 GLN   AaA CG  1 ? 
ATOM   1045 C CD  . GLN   A 1 128 ? -31.736 -48.985 19.662 1.000 31.493 ? 201 GLN   AaA CD  1 ? 
ATOM   1046 O OE1 . GLN   A 1 128 ? -32.756 -48.629 19.105 1.000 32.519 ? 201 GLN   AaA OE1 1 ? 
ATOM   1047 N NE2 . GLN   A 1 128 ? -31.311 -48.440 20.793 1.000 39.267 ? 201 GLN   AaA NE2 1 ? 
ATOM   1048 N N   . ASP   A 1 129 ? -28.590 -52.286 17.703 1.000 19.584 ? 202 ASP   AaA N   1 ? 
ATOM   1049 C CA  . ASP   A 1 129 ? -28.151 -53.599 18.237 1.000 19.329 ? 202 ASP   AaA CA  1 ? 
ATOM   1050 C C   . ASP   A 1 129 ? -26.964 -54.128 17.445 1.000 19.761 ? 202 ASP   AaA C   1 ? 
ATOM   1051 O O   . ASP   A 1 129 ? -25.975 -54.583 18.055 1.000 23.482 ? 202 ASP   AaA O   1 ? 
ATOM   1052 C CB  . ASP   A 1 129 ? -29.322 -54.567 18.213 1.000 19.592 ? 202 ASP   AaA CB  1 ? 
ATOM   1053 C CG  . ASP   A 1 129 ? -30.449 -54.108 19.111 1.000 22.547 ? 202 ASP   AaA CG  1 ? 
ATOM   1054 O OD1 . ASP   A 1 129 ? -30.143 -53.751 20.282 1.000 26.465 ? 202 ASP   AaA OD1 1 ? 
ATOM   1055 O OD2 . ASP   A 1 129 ? -31.566 -53.987 18.624 1.000 23.746 ? 202 ASP   AaA OD2 1 ? 
ATOM   1056 N N   . THR   A 1 130 ? -27.047 -54.094 16.120 1.000 18.879 ? 203 THR   AaA N   1 ? 
ATOM   1057 C CA  . THR   A 1 130 ? -26.027 -54.695 15.253 1.000 18.851 ? 203 THR   AaA CA  1 ? 
ATOM   1058 C C   . THR   A 1 130 ? -24.940 -53.702 14.866 1.000 20.073 ? 203 THR   AaA C   1 ? 
ATOM   1059 O O   . THR   A 1 130 ? -23.913 -54.168 14.359 1.000 21.951 ? 203 THR   AaA O   1 ? 
ATOM   1060 C CB  . THR   A 1 130 ? -26.612 -55.231 13.944 1.000 19.431 ? 203 THR   AaA CB  1 ? 
ATOM   1061 O OG1 . THR   A 1 130 ? -27.134 -54.102 13.227 1.000 17.774 ? 203 THR   AaA OG1 1 ? 
ATOM   1062 C CG2 . THR   A 1 130 ? -27.675 -56.279 14.170 1.000 20.543 ? 203 THR   AaA CG2 1 ? 
ATOM   1063 N N   . ARG   A 1 131 ? -25.226 -52.406 14.963 1.000 19.808 ? 204 ARG   AaA N   1 ? 
ATOM   1064 C CA  . ARG   A 1 131 ? -24.305 -51.315 14.558 1.000 21.365 ? 204 ARG   AaA CA  1 ? 
ATOM   1065 C C   . ARG   A 1 131 ? -24.165 -51.300 13.029 1.000 20.565 ? 204 ARG   AaA C   1 ? 
ATOM   1066 O O   . ARG   A 1 131 ? -23.233 -50.657 12.527 1.000 22.012 ? 204 ARG   AaA O   1 ? 
ATOM   1067 C CB  . ARG   A 1 131 ? -22.936 -51.421 15.248 1.000 24.202 ? 204 ARG   AaA CB  1 ? 
ATOM   1068 C CG  . ARG   A 1 131 ? -22.968 -51.230 16.764 1.000 28.823 ? 204 ARG   AaA CG  1 ? 
ATOM   1069 C CD  . ARG   A 1 131 ? -21.795 -51.897 17.476 1.000 35.168 ? 204 ARG   AaA CD  1 ? 
ATOM   1070 N NE  . ARG   A 1 131 ? -22.086 -53.327 17.525 1.000 42.755 ? 204 ARG   AaA NE  1 ? 
ATOM   1071 C CZ  . ARG   A 1 131 ? -22.696 -53.972 18.521 1.000 45.129 ? 204 ARG   AaA CZ  1 ? 
ATOM   1072 N NH1 . ARG   A 1 131 ? -22.953 -55.265 18.393 1.000 41.459 ? 204 ARG   AaA NH1 1 ? 
ATOM   1073 N NH2 . ARG   A 1 131 ? -23.020 -53.344 19.643 1.000 46.255 ? 204 ARG   AaA NH2 1 ? 
ATOM   1074 N N   . ARG   A 1 132 ? -25.083 -51.918 12.280 1.000 19.232 ? 205 ARG   AaA N   1 ? 
ATOM   1075 C CA  . ARG   A 1 132 ? -25.001 -51.867 10.803 1.000 19.366 ? 205 ARG   AaA CA  1 ? 
ATOM   1076 C C   . ARG   A 1 132 ? -25.701 -50.609 10.326 1.000 20.948 ? 205 ARG   AaA C   1 ? 
ATOM   1077 O O   . ARG   A 1 132 ? -26.825 -50.303 10.794 1.000 20.370 ? 205 ARG   AaA O   1 ? 
ATOM   1078 C CB  . ARG   A 1 132 ? -25.616 -53.104 10.154 1.000 19.960 ? 205 ARG   AaA CB  1 ? 
ATOM   1079 C CG  . ARG   A 1 132 ? -24.846 -54.375 10.479 1.000 19.358 ? 205 ARG   AaA CG  1 ? 
ATOM   1080 C CD  . ARG   A 1 132 ? -25.429 -55.603 9.832  1.000 18.536 ? 205 ARG   AaA CD  1 ? 
ATOM   1081 N NE  . ARG   A 1 132 ? -25.356 -55.529 8.378  1.000 18.114 ? 205 ARG   AaA NE  1 ? 
ATOM   1082 C CZ  . ARG   A 1 132 ? -24.267 -55.708 7.650  1.000 18.660 ? 205 ARG   AaA CZ  1 ? 
ATOM   1083 N NH1 . ARG   A 1 132 ? -23.092 -55.980 8.201  1.000 19.964 ? 205 ARG   AaA NH1 1 ? 
ATOM   1084 N NH2 . ARG   A 1 132 ? -24.366 -55.620 6.318  1.000 21.259 ? 205 ARG   AaA NH2 1 ? 
ATOM   1085 N N   . LEU   A 1 133 ? -25.041 -49.970 9.376  1.000 21.911 ? 206 LEU   AaA N   1 ? 
ATOM   1086 C CA  . LEU   A 1 133 ? -25.492 -48.704 8.792  1.000 23.832 ? 206 LEU   AaA CA  1 ? 
ATOM   1087 C C   . LEU   A 1 133 ? -26.636 -49.036 7.854  1.000 24.627 ? 206 LEU   AaA C   1 ? 
ATOM   1088 O O   . LEU   A 1 133 ? -26.699 -50.163 7.269  1.000 25.792 ? 206 LEU   AaA O   1 ? 
ATOM   1089 C CB  . LEU   A 1 133 ? -24.307 -48.012 8.114  1.000 26.679 ? 206 LEU   AaA CB  1 ? 
ATOM   1090 C CG  . LEU   A 1 133 ? -23.160 -47.629 9.056  1.000 27.762 ? 206 LEU   AaA CG  1 ? 
ATOM   1091 C CD1 . LEU   A 1 133 ? -22.097 -46.833 8.307  1.000 31.901 ? 206 LEU   AaA CD1 1 ? 
ATOM   1092 C CD2 . LEU   A 1 133 ? -23.629 -46.854 10.296 1.000 30.370 ? 206 LEU   AaA CD2 1 ? 
ATOM   1093 N N   . GLN   A 1 134 ? -27.561 -48.106 7.769  1.000 23.122 ? 207 GLN   AaA N   1 ? 
ATOM   1094 C CA  . GLN   A 1 134 ? -28.785 -48.239 6.978  1.000 23.557 ? 207 GLN   AaA CA  1 ? 
ATOM   1095 C C   . GLN   A 1 134 ? -28.949 -46.926 6.216  1.000 23.734 ? 207 GLN   AaA C   1 ? 
ATOM   1096 O O   . GLN   A 1 134 ? -28.349 -45.905 6.652  1.000 24.277 ? 207 GLN   AaA O   1 ? 
ATOM   1097 C CB  . GLN   A 1 134 ? -30.000 -48.542 7.850  1.000 26.120 ? 207 GLN   AaA CB  1 ? 
ATOM   1098 C CG  . GLN   A 1 134 ? -29.838 -49.815 8.682  1.000 30.047 ? 207 GLN   AaA CG  1 ? 
ATOM   1099 C CD  . GLN   A 1 134 ? -30.138 -51.086 7.922  1.000 32.812 ? 207 GLN   AaA CD  1 ? 
ATOM   1100 O OE1 . GLN   A 1 134 ? -31.263 -51.577 7.956  1.000 40.772 ? 207 GLN   AaA OE1 1 ? 
ATOM   1101 N NE2 . GLN   A 1 134 ? -29.131 -51.650 7.270  1.000 37.143 ? 207 GLN   AaA NE2 1 ? 
ATOM   1102 N N   . LYS   A 1 135 ? -29.681 -47.006 5.119  1.000 21.330 ? 208 LYS   AaA N   1 ? 
ATOM   1103 C CA  . LYS   A 1 135 ? -30.131 -45.823 4.352  1.000 22.379 ? 208 LYS   AaA CA  1 ? 
ATOM   1104 C C   . LYS   A 1 135 ? -31.405 -45.271 4.962  1.000 20.493 ? 208 LYS   AaA C   1 ? 
ATOM   1105 O O   . LYS   A 1 135 ? -32.078 -45.981 5.744  1.000 25.628 ? 208 LYS   AaA O   1 ? 
ATOM   1106 C CB  . LYS   A 1 135 ? -30.339 -46.218 2.896  1.000 23.758 ? 208 LYS   AaA CB  1 ? 
ATOM   1107 C CG  . LYS   A 1 135 ? -29.044 -46.619 2.197  1.000 29.426 ? 208 LYS   AaA CG  1 ? 
ATOM   1108 C CD  . LYS   A 1 135 ? -27.936 -45.592 2.376  1.000 33.363 ? 208 LYS   AaA CD  1 ? 
ATOM   1109 C CE  . LYS   A 1 135 ? -26.722 -45.778 1.488  1.000 36.924 ? 208 LYS   AaA CE  1 ? 
ATOM   1110 N NZ  . LYS   A 1 135 ? -26.439 -47.205 1.205  1.000 40.437 ? 208 LYS   AaA NZ  1 ? 
ATOM   1111 N N   . VAL   A 1 136 ? -31.681 -44.003 4.669  1.000 17.757 ? 209 VAL   AaA N   1 ? 
ATOM   1112 C CA  . VAL   A 1 136 ? -32.901 -43.347 5.188  1.000 17.240 ? 209 VAL   AaA CA  1 ? 
ATOM   1113 C C   . VAL   A 1 136 ? -34.059 -43.713 4.277  1.000 19.453 ? 209 VAL   AaA C   1 ? 
ATOM   1114 O O   . VAL   A 1 136 ? -34.079 -43.299 3.081  1.000 19.293 ? 209 VAL   AaA O   1 ? 
ATOM   1115 C CB  . VAL   A 1 136 ? -32.740 -41.826 5.268  1.000 16.738 ? 209 VAL   AaA CB  1 ? 
ATOM   1116 C CG1 . VAL   A 1 136 ? -34.006 -41.249 5.857  1.000 16.324 ? 209 VAL   AaA CG1 1 ? 
ATOM   1117 C CG2 . VAL   A 1 136 ? -31.497 -41.436 6.027  1.000 17.751 ? 209 VAL   AaA CG2 1 ? 
ATOM   1118 N N   . SER   A 1 137 ? -35.039 -44.429 4.817  1.000 19.856 ? 210 SER   AaA N   1 ? 
ATOM   1119 C CA  . SER   A 1 137 ? -36.272 -44.777 4.085  1.000 20.822 ? 210 SER   AaA CA  1 ? 
ATOM   1120 C C   . SER   A 1 137 ? -37.168 -43.555 3.900  1.000 19.448 ? 210 SER   AaA C   1 ? 
ATOM   1121 O O   . SER   A 1 137 ? -37.042 -42.539 4.649  1.000 18.649 ? 210 SER   AaA O   1 ? 
ATOM   1122 C CB  . SER   A 1 137 ? -37.027 -45.853 4.791  1.000 22.273 ? 210 SER   AaA CB  1 ? 
ATOM   1123 O OG  . SER   A 1 137 ? -37.484 -45.382 6.044  1.000 21.620 ? 210 SER   AaA OG  1 ? 
ATOM   1124 N N   . ASP   A 1 138 ? -38.096 -43.644 2.964  1.000 18.353 ? 211 ASP   AaA N   1 ? 
ATOM   1125 C CA  . ASP   A 1 138 ? -39.089 -42.576 2.742  1.000 19.191 ? 211 ASP   AaA CA  1 ? 
ATOM   1126 C C   . ASP   A 1 138 ? -39.859 -42.354 4.040  1.000 18.629 ? 211 ASP   AaA C   1 ? 
ATOM   1127 O O   . ASP   A 1 138 ? -40.177 -41.227 4.348  1.000 19.672 ? 211 ASP   AaA O   1 ? 
ATOM   1128 C CB  . ASP   A 1 138 ? -40.059 -42.897 1.607  1.000 19.596 ? 211 ASP   AaA CB  1 ? 
ATOM   1129 C CG  . ASP   A 1 138 ? -39.480 -42.754 0.207  1.000 21.944 ? 211 ASP   AaA CG  1 ? 
ATOM   1130 O OD1 . ASP   A 1 138 ? -38.261 -42.696 0.090  1.000 22.510 ? 211 ASP   AaA OD1 1 ? 
ATOM   1131 O OD2 . ASP   A 1 138 ? -40.301 -42.799 -0.737 1.000 25.455 ? 211 ASP   AaA OD2 1 ? 
ATOM   1132 N N   . ASP   A 1 139 ? -40.237 -43.421 4.734  1.000 19.466 ? 212 ASP   AaA N   1 ? 
ATOM   1133 C CA  . ASP   A 1 139 ? -41.050 -43.289 5.963  1.000 20.755 ? 212 ASP   AaA CA  1 ? 
ATOM   1134 C C   . ASP   A 1 139 ? -40.295 -42.441 6.989  1.000 18.948 ? 212 ASP   AaA C   1 ? 
ATOM   1135 O O   . ASP   A 1 139 ? -40.928 -41.530 7.592  1.000 21.669 ? 212 ASP   AaA O   1 ? 
ATOM   1136 C CB  . ASP   A 1 139 ? -41.357 -44.667 6.553  1.000 22.436 ? 212 ASP   AaA CB  1 ? 
ATOM   1137 C CG  . ASP   A 1 139 ? -42.444 -45.436 5.817  1.000 27.800 ? 212 ASP   AaA CG  1 ? 
ATOM   1138 O OD1 . ASP   A 1 139 ? -43.160 -44.833 4.997  1.000 30.306 ? 212 ASP   AaA OD1 1 ? 
ATOM   1139 O OD2 . ASP   A 1 139 ? -42.530 -46.647 6.052  1.000 31.709 ? 212 ASP   AaA OD2 1 ? 
ATOM   1140 N N   . VAL   A 1 140 ? -39.009 -42.694 7.179  1.000 17.966 ? 213 VAL   AaA N   1 ? 
ATOM   1141 C CA  . VAL   A 1 140 ? -38.215 -41.909 8.175  1.000 18.284 ? 213 VAL   AaA CA  1 ? 
ATOM   1142 C C   . VAL   A 1 140 ? -38.029 -40.472 7.680  1.000 17.219 ? 213 VAL   AaA C   1 ? 
ATOM   1143 O O   . VAL   A 1 140 ? -38.277 -39.502 8.410  1.000 16.367 ? 213 VAL   AaA O   1 ? 
ATOM   1144 C CB  . VAL   A 1 140 ? -36.869 -42.574 8.459  1.000 17.462 ? 213 VAL   AaA CB  1 ? 
ATOM   1145 C CG1 . VAL   A 1 140 ? -35.984 -41.673 9.310  1.000 17.437 ? 213 VAL   AaA CG1 1 ? 
ATOM   1146 C CG2 . VAL   A 1 140 ? -37.112 -43.940 9.128  1.000 19.048 ? 213 VAL   AaA CG2 1 ? 
ATOM   1147 N N   . ARG   A 1 141 ? -37.635 -40.316 6.422  1.000 15.922 ? 214 ARG   AaA N   1 ? 
ATOM   1148 C CA  . ARG   A 1 141 ? -37.403 -38.963 5.860  1.000 15.826 ? 214 ARG   AaA CA  1 ? 
ATOM   1149 C C   . ARG   A 1 141 ? -38.693 -38.161 5.954  1.000 15.529 ? 214 ARG   AaA C   1 ? 
ATOM   1150 O O   . ARG   A 1 141 ? -38.662 -36.971 6.291  1.000 16.631 ? 214 ARG   AaA O   1 ? 
ATOM   1151 C CB  . ARG   A 1 141 ? -36.982 -39.104 4.390  1.000 15.819 ? 214 ARG   AaA CB  1 ? 
ATOM   1152 C CG  . ARG   A 1 141 ? -36.906 -37.815 3.586  1.000 16.437 ? 214 ARG   AaA CG  1 ? 
ATOM   1153 C CD  . ARG   A 1 141 ? -38.117 -37.685 2.698  1.000 17.632 ? 214 ARG   AaA CD  1 ? 
ATOM   1154 N NE  . ARG   A 1 141 ? -37.950 -36.680 1.658  1.000 16.861 ? 214 ARG   AaA NE  1 ? 
ATOM   1155 C CZ  . ARG   A 1 141 ? -38.897 -36.378 0.797  1.000 17.594 ? 214 ARG   AaA CZ  1 ? 
ATOM   1156 N NH1 . ARG   A 1 141 ? -40.079 -36.952 0.877  1.000 19.101 ? 214 ARG   AaA NH1 1 ? 
ATOM   1157 N NH2 . ARG   A 1 141 ? -38.672 -35.447 -0.121 1.000 17.729 ? 214 ARG   AaA NH2 1 ? 
ATOM   1158 N N   . ASP   A 1 142 ? -39.835 -38.762 5.656  1.000 16.589 ? 215 ASP   AaA N   1 ? 
ATOM   1159 C CA  . ASP   A 1 142 ? -41.122 -38.032 5.664  1.000 16.717 ? 215 ASP   AaA CA  1 ? 
ATOM   1160 C C   . ASP   A 1 142 ? -41.486 -37.568 7.073  1.000 16.015 ? 215 ASP   AaA C   1 ? 
ATOM   1161 O O   . ASP   A 1 142 ? -42.114 -36.509 7.177  1.000 18.240 ? 215 ASP   AaA O   1 ? 
ATOM   1162 C CB  . ASP   A 1 142 ? -42.248 -38.886 5.099  1.000 18.790 ? 215 ASP   AaA CB  1 ? 
ATOM   1163 C CG  . ASP   A 1 142 ? -42.175 -39.137 3.610  1.000 21.718 ? 215 ASP   AaA CG  1 ? 
ATOM   1164 O OD1 . ASP   A 1 142 ? -41.326 -38.537 2.941  1.000 20.572 ? 215 ASP   AaA OD1 1 ? 
ATOM   1165 O OD2 . ASP   A 1 142 ? -42.967 -39.958 3.152  1.000 22.831 ? 215 ASP   AaA OD2 1 ? 
ATOM   1166 N N   . GLU   A 1 143 ? -41.060 -38.328 8.077  1.000 16.876 ? 216 GLU   AaA N   1 ? 
ATOM   1167 C CA  . GLU   A 1 143 ? -41.323 -37.988 9.494  1.000 17.872 ? 216 GLU   AaA CA  1 ? 
ATOM   1168 C C   . GLU   A 1 143 ? -40.543 -36.760 9.889  1.000 17.968 ? 216 GLU   AaA C   1 ? 
ATOM   1169 O O   . GLU   A 1 143 ? -41.084 -35.957 10.679 1.000 22.245 ? 216 GLU   AaA O   1 ? 
ATOM   1170 C CB  . GLU   A 1 143 ? -41.011 -39.166 10.419 1.000 19.421 ? 216 GLU   AaA CB  1 ? 
ATOM   1171 C CG  . GLU   A 1 143 ? -42.078 -40.237 10.320 1.000 21.509 ? 216 GLU   AaA CG  1 ? 
ATOM   1172 C CD  . GLU   A 1 143 ? -41.723 -41.646 10.746 1.000 25.821 ? 216 GLU   AaA CD  1 ? 
ATOM   1173 O OE1 . GLU   A 1 143 ? -40.582 -41.881 11.170 1.000 22.905 ? 216 GLU   AaA OE1 1 ? 
ATOM   1174 O OE2 . GLU   A 1 143 ? -42.602 -42.522 10.605 1.000 30.162 ? 216 GLU   AaA OE2 1 ? 
ATOM   1175 N N   . TYR   A 1 144 ? -39.316 -36.574 9.413  1.000 15.917 ? 217 TYR   AaA N   1 ? 
ATOM   1176 C CA  . TYR   A 1 144 ? -38.532 -35.411 9.882  1.000 14.306 ? 217 TYR   AaA CA  1 ? 
ATOM   1177 C C   . TYR   A 1 144 ? -38.482 -34.249 8.881  1.000 14.130 ? 217 TYR   AaA C   1 ? 
ATOM   1178 O O   . TYR   A 1 144 ? -38.122 -33.132 9.256  1.000 14.963 ? 217 TYR   AaA O   1 ? 
ATOM   1179 C CB  . TYR   A 1 144 ? -37.127 -35.800 10.317 1.000 14.812 ? 217 TYR   AaA CB  1 ? 
ATOM   1180 C CG  . TYR   A 1 144 ? -36.092 -36.166 9.297  1.000 15.606 ? 217 TYR   AaA CG  1 ? 
ATOM   1181 C CD1 . TYR   A 1 144 ? -35.471 -35.167 8.591  1.000 16.801 ? 217 TYR   AaA CD1 1 ? 
ATOM   1182 C CD2 . TYR   A 1 144 ? -35.636 -37.460 9.153  1.000 16.852 ? 217 TYR   AaA CD2 1 ? 
ATOM   1183 C CE1 . TYR   A 1 144 ? -34.422 -35.436 7.734  1.000 17.522 ? 217 TYR   AaA CE1 1 ? 
ATOM   1184 C CE2 . TYR   A 1 144 ? -34.621 -37.750 8.250  1.000 17.168 ? 217 TYR   AaA CE2 1 ? 
ATOM   1185 C CZ  . TYR   A 1 144 ? -34.031 -36.738 7.525  1.000 16.244 ? 217 TYR   AaA CZ  1 ? 
ATOM   1186 O OH  . TYR   A 1 144 ? -32.925 -36.952 6.729  1.000 18.446 ? 217 TYR   AaA OH  1 ? 
ATOM   1187 N N   . LEU   A 1 145 ? -38.867 -34.486 7.624  1.000 14.414 ? 218 LEU   AaA N   1 ? 
ATOM   1188 C CA  . LEU   A 1 145 ? -38.735 -33.432 6.592  1.000 15.228 ? 218 LEU   AaA CA  1 ? 
ATOM   1189 C C   . LEU   A 1 145 ? -39.527 -32.188 6.974  1.000 15.395 ? 218 LEU   AaA C   1 ? 
ATOM   1190 O O   . LEU   A 1 145 ? -39.094 -31.047 6.687  1.000 15.060 ? 218 LEU   AaA O   1 ? 
ATOM   1191 C CB  . LEU   A 1 145 ? -39.220 -33.992 5.255  1.000 17.139 ? 218 LEU   AaA CB  1 ? 
ATOM   1192 C CG  . LEU   A 1 145 ? -38.997 -33.069 4.070  1.000 18.779 ? 218 LEU   AaA CG  1 ? 
ATOM   1193 C CD1 . LEU   A 1 145 ? -37.533 -33.052 3.697  1.000 20.608 ? 218 LEU   AaA CD1 1 ? 
ATOM   1194 C CD2 . LEU   A 1 145 ? -39.828 -33.526 2.877  1.000 20.846 ? 218 LEU   AaA CD2 1 ? 
ATOM   1195 N N   . VAL   A 1 146 ? -40.649 -32.393 7.652  1.000 15.174 ? 219 VAL   AaA N   1 ? 
ATOM   1196 C CA  . VAL   A 1 146 ? -41.560 -31.284 8.021  1.000 15.574 ? 219 VAL   AaA CA  1 ? 
ATOM   1197 C C   . VAL   A 1 146 ? -40.939 -30.406 9.101  1.000 15.924 ? 219 VAL   AaA C   1 ? 
ATOM   1198 O O   . VAL   A 1 146 ? -41.505 -29.354 9.405  1.000 16.347 ? 219 VAL   AaA O   1 ? 
ATOM   1199 C CB  . VAL   A 1 146 ? -42.909 -31.821 8.510  1.000 16.805 ? 219 VAL   AaA CB  1 ? 
ATOM   1200 C CG1 . VAL   A 1 146 ? -43.636 -32.582 7.415  1.000 18.677 ? 219 VAL   AaA CG1 1 ? 
ATOM   1201 C CG2 . VAL   A 1 146 ? -42.760 -32.687 9.750  1.000 19.333 ? 219 VAL   AaA CG2 1 ? 
ATOM   1202 N N   . PHE   A 1 147 ? -39.760 -30.773 9.614  1.000 14.718 ? 220 PHE   AaA N   1 ? 
ATOM   1203 C CA  . PHE   A 1 147 ? -39.042 -29.948 10.625 1.000 14.631 ? 220 PHE   AaA CA  1 ? 
ATOM   1204 C C   . PHE   A 1 147 ? -37.806 -29.289 10.024 1.000 14.449 ? 220 PHE   AaA C   1 ? 
ATOM   1205 O O   . PHE   A 1 147 ? -37.044 -28.654 10.789 1.000 15.334 ? 220 PHE   AaA O   1 ? 
ATOM   1206 C CB  . PHE   A 1 147 ? -38.658 -30.807 11.838 1.000 15.061 ? 220 PHE   AaA CB  1 ? 
ATOM   1207 C CG  . PHE   A 1 147 ? -39.846 -31.502 12.454 1.000 16.033 ? 220 PHE   AaA CG  1 ? 
ATOM   1208 C CD1 . PHE   A 1 147 ? -40.991 -30.807 12.813 1.000 17.452 ? 220 PHE   AaA CD1 1 ? 
ATOM   1209 C CD2 . PHE   A 1 147 ? -39.866 -32.871 12.604 1.000 17.641 ? 220 PHE   AaA CD2 1 ? 
ATOM   1210 C CE1 . PHE   A 1 147 ? -42.082 -31.466 13.371 1.000 17.684 ? 220 PHE   AaA CE1 1 ? 
ATOM   1211 C CE2 . PHE   A 1 147 ? -40.959 -33.534 13.141 1.000 19.584 ? 220 PHE   AaA CE2 1 ? 
ATOM   1212 C CZ  . PHE   A 1 147 ? -42.085 -32.833 13.474 1.000 18.065 ? 220 PHE   AaA CZ  1 ? 
ATOM   1213 N N   . CYS   A 1 148 ? -37.596 -29.401 8.713  1.000 13.595 ? 221 CYS   AaA N   1 ? 
ATOM   1214 C CA  . CYS   A 1 148 ? -36.367 -28.943 8.047  1.000 13.954 ? 221 CYS   AaA CA  1 ? 
ATOM   1215 C C   . CYS   A 1 148 ? -36.695 -27.891 7.015  1.000 14.851 ? 221 CYS   AaA C   1 ? 
ATOM   1216 O O   . CYS   A 1 148 ? -37.674 -28.059 6.272  1.000 15.614 ? 221 CYS   AaA O   1 ? 
ATOM   1217 C CB  . CYS   A 1 148 ? -35.684 -30.081 7.328  1.000 14.458 ? 221 CYS   AaA CB  1 ? 
ATOM   1218 S SG  . CYS   A 1 148 ? -35.125 -31.409 8.423  1.000 15.610 ? 221 CYS   AaA SG  1 ? 
ATOM   1219 N N   . PRO   A 1 149 ? -35.828 -26.883 6.830  1.000 14.574 ? 222 PRO   AaA N   1 ? 
ATOM   1220 C CA  . PRO   A 1 149 ? -35.875 -26.109 5.590  1.000 15.287 ? 222 PRO   AaA CA  1 ? 
ATOM   1221 C C   . PRO   A 1 149 ? -35.634 -27.065 4.422  1.000 16.100 ? 222 PRO   AaA C   1 ? 
ATOM   1222 O O   . PRO   A 1 149 ? -34.811 -27.976 4.507  1.000 14.739 ? 222 PRO   AaA O   1 ? 
ATOM   1223 C CB  . PRO   A 1 149 ? -34.783 -25.067 5.780  1.000 16.422 ? 222 PRO   AaA CB  1 ? 
ATOM   1224 C CG  . PRO   A 1 149 ? -33.819 -25.697 6.777  1.000 16.135 ? 222 PRO   AaA CG  1 ? 
ATOM   1225 C CD  . PRO   A 1 149 ? -34.664 -26.553 7.685  1.000 15.586 ? 222 PRO   AaA CD  1 ? 
ATOM   1226 N N   . GLN   A 1 150 ? -36.347 -26.856 3.308  1.000 17.479 ? 223 GLN   AaA N   1 ? 
ATOM   1227 C CA  . GLN   A 1 150 ? -36.265 -27.795 2.153  1.000 18.287 ? 223 GLN   AaA CA  1 ? 
ATOM   1228 C C   . GLN   A 1 150 ? -35.462 -27.207 1.006  1.000 19.030 ? 223 GLN   AaA C   1 ? 
ATOM   1229 O O   . GLN   A 1 150 ? -35.021 -28.004 0.159  1.000 22.056 ? 223 GLN   AaA O   1 ? 
ATOM   1230 C CB  . GLN   A 1 150 ? -37.664 -28.263 1.764  1.000 18.457 ? 223 GLN   AaA CB  1 ? 
ATOM   1231 C CG  . GLN   A 1 150 ? -38.194 -29.188 2.836  1.000 20.614 ? 223 GLN   AaA CG  1 ? 
ATOM   1232 C CD  . GLN   A 1 150 ? -39.640 -29.541 2.718  1.000 22.159 ? 223 GLN   AaA CD  1 ? 
ATOM   1233 O OE1 . GLN   A 1 150 ? -40.144 -29.761 1.629  1.000 20.435 ? 223 GLN   AaA OE1 1 ? 
ATOM   1234 N NE2 . GLN   A 1 150 ? -40.316 -29.661 3.855  1.000 27.014 ? 223 GLN   AaA NE2 1 ? 
ATOM   1235 N N   . GLU   A 1 151 ? -35.295 -25.900 0.944  1.000 17.773 ? 224 GLU   AaA N   1 ? 
ATOM   1236 C CA  . GLU   A 1 151 ? -34.290 -25.261 0.070  1.000 19.767 ? 224 GLU   AaA CA  1 ? 
ATOM   1237 C C   . GLU   A 1 151 ? -32.983 -25.160 0.831  1.000 19.945 ? 224 GLU   AaA C   1 ? 
ATOM   1238 O O   . GLU   A 1 151 ? -32.960 -25.204 2.072  1.000 17.995 ? 224 GLU   AaA O   1 ? 
ATOM   1239 C CB  . GLU   A 1 151 ? -34.729 -23.874 -0.408 1.000 21.367 ? 224 GLU   AaA CB  1 ? 
ATOM   1240 C CG  . GLU   A 1 151 ? -36.069 -23.893 -1.135 1.000 25.974 ? 224 GLU   AaA CG  1 ? 
ATOM   1241 C CD  . GLU   A 1 151 ? -36.612 -22.555 -1.632 1.000 32.410 ? 224 GLU   AaA CD  1 ? 
ATOM   1242 O OE1 . GLU   A 1 151 ? -35.821 -21.641 -1.911 1.000 39.524 ? 224 GLU   AaA OE1 1 ? 
ATOM   1243 O OE2 . GLU   A 1 151 ? -37.846 -22.451 -1.768 1.000 36.929 ? 224 GLU   AaA OE2 1 ? 
ATOM   1244 N N   . PRO   A 1 152 ? -31.852 -25.035 0.118  1.000 18.884 ? 225 PRO   AaA N   1 ? 
ATOM   1245 C CA  . PRO   A 1 152 ? -30.574 -25.129 0.812  1.000 18.611 ? 225 PRO   AaA CA  1 ? 
ATOM   1246 C C   . PRO   A 1 152 ? -30.376 -24.024 1.839  1.000 17.470 ? 225 PRO   AaA C   1 ? 
ATOM   1247 O O   . PRO   A 1 152 ? -30.694 -22.852 1.616  1.000 20.130 ? 225 PRO   AaA O   1 ? 
ATOM   1248 C CB  . PRO   A 1 152 ? -29.505 -24.985 -0.271 1.000 21.276 ? 225 PRO   AaA CB  1 ? 
ATOM   1249 C CG  . PRO   A 1 152 ? -30.229 -25.262 -1.584 1.000 22.152 ? 225 PRO   AaA CG  1 ? 
ATOM   1250 C CD  . PRO   A 1 152 ? -31.705 -25.012 -1.355 1.000 20.380 ? 225 PRO   AaA CD  1 ? 
ATOM   1251 N N   . ARG   A 1 153 ? -29.832 -24.431 2.979  1.000 16.303 ? 226 ARG   AaA N   1 ? 
ATOM   1252 C CA  . ARG   A 1 153 ? -29.411 -23.486 4.025  1.000 16.071 ? 226 ARG   AaA CA  1 ? 
ATOM   1253 C C   . ARG   A 1 153 ? -28.135 -24.075 4.620  1.000 16.886 ? 226 ARG   AaA C   1 ? 
ATOM   1254 O O   . ARG   A 1 153 ? -28.228 -25.050 5.399  1.000 19.471 ? 226 ARG   AaA O   1 ? 
ATOM   1255 C CB  . ARG   A 1 153 ? -30.495 -23.300 5.091  1.000 16.460 ? 226 ARG   AaA CB  1 ? 
ATOM   1256 C CG  . ARG   A 1 153 ? -30.114 -22.201 6.074  1.000 18.552 ? 226 ARG   AaA CG  1 ? 
ATOM   1257 C CD  . ARG   A 1 153 ? -30.964 -22.013 7.298  1.000 20.272 ? 226 ARG   AaA CD  1 ? 
ATOM   1258 N NE  . ARG   A 1 153 ? -30.351 -20.960 8.098  1.000 21.947 ? 226 ARG   AaA NE  1 ? 
ATOM   1259 C CZ  . ARG   A 1 153 ? -30.778 -20.566 9.299  1.000 20.507 ? 226 ARG   AaA CZ  1 ? 
ATOM   1260 N NH1 . ARG   A 1 153 ? -31.787 -21.173 9.862  1.000 20.700 ? 226 ARG   AaA NH1 1 ? 
ATOM   1261 N NH2 . ARG   A 1 153 ? -30.141 -19.587 9.924  1.000 23.884 ? 226 ARG   AaA NH2 1 ? 
ATOM   1262 N N   . LEU   A 1 154 ? -26.980 -23.584 4.216  1.000 18.164 ? 227 LEU   AaA N   1 ? 
ATOM   1263 C CA  . LEU   A 1 154 ? -25.685 -24.196 4.614  1.000 19.238 ? 227 LEU   AaA CA  1 ? 
ATOM   1264 C C   . LEU   A 1 154 ? -24.958 -23.269 5.574  1.000 20.829 ? 227 LEU   AaA C   1 ? 
ATOM   1265 O O   . LEU   A 1 154 ? -24.721 -22.091 5.239  1.000 22.178 ? 227 LEU   AaA O   1 ? 
ATOM   1266 C CB  . LEU   A 1 154 ? -24.816 -24.452 3.384  1.000 21.810 ? 227 LEU   AaA CB  1 ? 
ATOM   1267 C CG  . LEU   A 1 154 ? -24.994 -25.793 2.667  1.000 26.977 ? 227 LEU   AaA CG  1 ? 
ATOM   1268 C CD1 . LEU   A 1 154 ? -26.441 -26.080 2.318  1.000 29.551 ? 227 LEU   AaA CD1 1 ? 
ATOM   1269 C CD2 . LEU   A 1 154 ? -24.112 -25.780 1.420  1.000 30.295 ? 227 LEU   AaA CD2 1 ? 
ATOM   1270 N N   . ALA   A 1 155 ? -24.509 -23.826 6.697  1.000 19.006 ? 228 ALA   AaA N   1 ? 
ATOM   1271 C CA  . ALA   A 1 155 ? -23.608 -23.104 7.618  1.000 22.075 ? 228 ALA   AaA CA  1 ? 
ATOM   1272 C C   . ALA   A 1 155 ? -22.309 -22.827 6.890  1.000 24.789 ? 228 ALA   AaA C   1 ? 
ATOM   1273 O O   . ALA   A 1 155 ? -21.701 -21.780 7.188  1.000 31.221 ? 228 ALA   AaA O   1 ? 
ATOM   1274 C CB  . ALA   A 1 155 ? -23.313 -23.906 8.861  1.000 22.743 ? 228 ALA   AaA CB  1 ? 
ATOM   1275 N N   . PHE   A 1 156 ? -21.863 -23.728 6.022  1.000 26.765 ? 229 PHE   AaA N   1 ? 
ATOM   1276 C CA  . PHE   A 1 156 ? -20.599 -23.463 5.281  1.000 32.695 ? 229 PHE   AaA CA  1 ? 
ATOM   1277 C C   . PHE   A 1 156 ? -20.942 -22.701 3.980  1.000 33.602 ? 229 PHE   AaA C   1 ? 
ATOM   1278 O O   . PHE   A 1 156 ? -21.337 -23.301 2.957  1.000 33.655 ? 229 PHE   AaA O   1 ? 
ATOM   1279 C CB  . PHE   A 1 156 ? -19.733 -24.725 5.332  1.000 33.114 ? 229 PHE   AaA CB  1 ? 
ATOM   1280 C CG  . PHE   A 1 156 ? -19.035 -24.836 6.680  1.000 30.146 ? 229 PHE   AaA CG  1 ? 
ATOM   1281 C CD1 . PHE   A 1 156 ? -19.677 -25.396 7.772  1.000 24.245 ? 229 PHE   AaA CD1 1 ? 
ATOM   1282 C CD2 . PHE   A 1 156 ? -17.782 -24.267 6.902  1.000 31.781 ? 229 PHE   AaA CD2 1 ? 
ATOM   1283 C CE1 . PHE   A 1 156 ? -19.074 -25.434 9.016  1.000 27.493 ? 229 PHE   AaA CE1 1 ? 
ATOM   1284 C CE2 . PHE   A 1 156 ? -17.179 -24.307 8.156  1.000 30.394 ? 229 PHE   AaA CE2 1 ? 
ATOM   1285 C CZ  . PHE   A 1 156 ? -17.830 -24.902 9.210  1.000 28.487 ? 229 PHE   AaA CZ  1 ? 
ATOM   1286 N N   . LYS   A 1 166 ? -11.374 -36.309 0.880  1.000 46.459 ? 239 LYS   AaA N   1 ? 
ATOM   1287 C CA  . LYS   A 1 166 ? -11.241 -37.442 1.835  1.000 42.721 ? 239 LYS   AaA CA  1 ? 
ATOM   1288 C C   . LYS   A 1 166 ? -10.134 -37.149 2.854  1.000 39.869 ? 239 LYS   AaA C   1 ? 
ATOM   1289 O O   . LYS   A 1 166 ? -9.109  -36.547 2.486  1.000 45.068 ? 239 LYS   AaA O   1 ? 
ATOM   1290 C CB  . LYS   A 1 166 ? -10.885 -38.737 1.098  1.000 44.123 ? 239 LYS   AaA CB  1 ? 
ATOM   1291 C CG  . LYS   A 1 166 ? -10.787 -39.983 1.969  1.000 46.944 ? 239 LYS   AaA CG  1 ? 
ATOM   1292 C CD  . LYS   A 1 166 ? -10.470 -41.243 1.177  1.000 48.334 ? 239 LYS   AaA CD  1 ? 
ATOM   1293 C CE  . LYS   A 1 166 ? -10.335 -42.481 2.047  1.000 49.485 ? 239 LYS   AaA CE  1 ? 
ATOM   1294 N NZ  . LYS   A 1 166 ? -10.034 -43.706 1.264  1.000 52.501 ? 239 LYS   AaA NZ  1 ? 
ATOM   1295 N N   . ILE   A 1 167 ? -10.312 -37.616 4.083  1.000 35.216 ? 240 ILE   AaA N   1 ? 
ATOM   1296 C CA  . ILE   A 1 167 ? -9.213  -37.582 5.088  1.000 32.285 ? 240 ILE   AaA CA  1 ? 
ATOM   1297 C C   . ILE   A 1 167 ? -8.390  -38.852 4.901  1.000 28.626 ? 240 ILE   AaA C   1 ? 
ATOM   1298 O O   . ILE   A 1 167 ? -8.929  -39.939 4.948  1.000 30.383 ? 240 ILE   AaA O   1 ? 
ATOM   1299 C CB  . ILE   A 1 167 ? -9.761  -37.397 6.509  1.000 29.283 ? 240 ILE   AaA CB  1 ? 
ATOM   1300 C CG1 . ILE   A 1 167 ? -10.566 -36.089 6.600  1.000 32.798 ? 240 ILE   AaA CG1 1 ? 
ATOM   1301 C CG2 . ILE   A 1 167 ? -8.616  -37.457 7.514  1.000 25.379 ? 240 ILE   AaA CG2 1 ? 
ATOM   1302 C CD1 . ILE   A 1 167 ? -11.243 -35.855 7.915  1.000 33.098 ? 240 ILE   AaA CD1 1 ? 
ATOM   1303 N N   . PRO   A 1 168 ? -7.065  -38.736 4.687  1.000 28.969 ? 241 PRO   AaA N   1 ? 
ATOM   1304 C CA  . PRO   A 1 168 ? -6.221  -39.907 4.516  1.000 30.864 ? 241 PRO   AaA CA  1 ? 
ATOM   1305 C C   . PRO   A 1 168 ? -5.966  -40.609 5.853  1.000 30.250 ? 241 PRO   AaA C   1 ? 
ATOM   1306 O O   . PRO   A 1 168 ? -6.230  -40.088 6.935  1.000 26.259 ? 241 PRO   AaA O   1 ? 
ATOM   1307 C CB  . PRO   A 1 168 ? -4.913  -39.344 3.964  1.000 30.993 ? 241 PRO   AaA CB  1 ? 
ATOM   1308 C CG  . PRO   A 1 168 ? -4.862  -37.925 4.480  1.000 31.413 ? 241 PRO   AaA CG  1 ? 
ATOM   1309 C CD  . PRO   A 1 168 ? -6.297  -37.486 4.665  1.000 29.872 ? 241 PRO   AaA CD  1 ? 
ATOM   1310 N N   . LYS   A 1 169 ? -5.433  -41.815 5.738  1.000 28.652 ? 242 LYS   AaA N   1 ? 
ATOM   1311 C CA  . LYS   A 1 169 ? -5.086  -42.645 6.900  1.000 26.497 ? 242 LYS   AaA CA  1 ? 
ATOM   1312 C C   . LYS   A 1 169 ? -3.641  -42.359 7.299  1.000 26.244 ? 242 LYS   AaA C   1 ? 
ATOM   1313 O O   . LYS   A 1 169 ? -2.733  -42.573 6.484  1.000 28.897 ? 242 LYS   AaA O   1 ? 
ATOM   1314 C CB  . LYS   A 1 169 ? -5.258  -44.131 6.595  1.000 28.288 ? 242 LYS   AaA CB  1 ? 
ATOM   1315 C CG  . LYS   A 1 169 ? -5.042  -45.028 7.804  1.000 34.010 ? 242 LYS   AaA CG  1 ? 
ATOM   1316 C CD  . LYS   A 1 169 ? -5.532  -46.443 7.625  1.000 38.767 ? 242 LYS   AaA CD  1 ? 
ATOM   1317 C CE  . LYS   A 1 169 ? -5.687  -47.152 8.955  1.000 41.344 ? 242 LYS   AaA CE  1 ? 
ATOM   1318 N NZ  . LYS   A 1 169 ? -6.101  -48.569 8.788  1.000 44.035 ? 242 LYS   AaA NZ  1 ? 
ATOM   1319 N N   . LEU   A 1 170 ? -3.453  -41.970 8.552  1.000 25.463 ? 243 LEU   AaA N   1 ? 
ATOM   1320 C CA  . LEU   A 1 170 ? -2.127  -41.695 9.146  1.000 24.855 ? 243 LEU   AaA CA  1 ? 
ATOM   1321 C C   . LEU   A 1 170 ? -1.242  -42.929 8.955  1.000 26.146 ? 243 LEU   AaA C   1 ? 
ATOM   1322 O O   . LEU   A 1 170 ? -1.657  -44.059 9.283  1.000 27.473 ? 243 LEU   AaA O   1 ? 
ATOM   1323 C CB  . LEU   A 1 170 ? -2.302  -41.339 10.623 1.000 24.495 ? 243 LEU   AaA CB  1 ? 
ATOM   1324 C CG  . LEU   A 1 170 ? -1.051  -40.919 11.383 1.000 24.691 ? 243 LEU   AaA CG  1 ? 
ATOM   1325 C CD1 . LEU   A 1 170 ? -1.375  -39.921 12.490 1.000 26.759 ? 243 LEU   AaA CD1 1 ? 
ATOM   1326 C CD2 . LEU   A 1 170 ? -0.332  -42.137 11.957 1.000 27.120 ? 243 LEU   AaA CD2 1 ? 
ATOM   1327 N N   . GLU   A 1 171 ? -0.035  -42.701 8.447  1.000 27.469 ? 244 GLU   AaA N   1 ? 
ATOM   1328 C CA  . GLU   A 1 171 ? 0.912   -43.811 8.209  1.000 32.205 ? 244 GLU   AaA CA  1 ? 
ATOM   1329 C C   . GLU   A 1 171 ? 1.872   -43.930 9.387  1.000 30.584 ? 244 GLU   AaA C   1 ? 
ATOM   1330 O O   . GLU   A 1 171 ? 2.266   -42.920 9.981  1.000 29.198 ? 244 GLU   AaA O   1 ? 
ATOM   1331 C CB  . GLU   A 1 171 ? 1.634   -43.618 6.882  1.000 36.754 ? 244 GLU   AaA CB  1 ? 
ATOM   1332 C CG  . GLU   A 1 171 ? 0.963   -44.385 5.761  1.000 44.244 ? 244 GLU   AaA CG  1 ? 
ATOM   1333 C CD  . GLU   A 1 171 ? 1.210   -43.832 4.368  1.000 51.278 ? 244 GLU   AaA CD  1 ? 
ATOM   1334 O OE1 . GLU   A 1 171 ? 2.261   -43.178 4.163  1.000 57.131 ? 244 GLU   AaA OE1 1 ? 
ATOM   1335 O OE2 . GLU   A 1 171 ? 0.342   -44.051 3.489  1.000 55.909 ? 244 GLU   AaA OE2 1 ? 
ATOM   1336 N N   . ASP   A 1 172 ? 2.242   -45.173 9.676  1.000 31.002 ? 245 ASP   AaA N   1 ? 
ATOM   1337 C CA  . ASP   A 1 172 ? 3.250   -45.505 10.703 1.000 34.617 ? 245 ASP   AaA CA  1 ? 
ATOM   1338 C C   . ASP   A 1 172 ? 4.612   -45.072 10.162 1.000 33.687 ? 245 ASP   AaA C   1 ? 
ATOM   1339 O O   . ASP   A 1 172 ? 4.861   -45.195 8.968  1.000 36.387 ? 245 ASP   AaA O   1 ? 
ATOM   1340 C CB  . ASP   A 1 172 ? 3.122   -46.991 11.054 1.000 39.645 ? 245 ASP   AaA CB  1 ? 
ATOM   1341 C CG  . ASP   A 1 172 ? 1.669   -47.435 11.183 1.000 42.549 ? 245 ASP   AaA CG  1 ? 
ATOM   1342 O OD1 . ASP   A 1 172 ? 0.833   -46.604 11.628 1.000 45.685 ? 245 ASP   AaA OD1 1 ? 
ATOM   1343 O OD2 . ASP   A 1 172 ? 1.360   -48.588 10.814 1.000 42.311 ? 245 ASP   AaA OD2 1 ? 
ATOM   1344 N N   . PRO   A 1 173 ? 5.515   -44.504 10.988 1.000 31.854 ? 246 PRO   AaA N   1 ? 
ATOM   1345 C CA  . PRO   A 1 173 ? 5.227   -44.162 12.382 1.000 32.258 ? 246 PRO   AaA CA  1 ? 
ATOM   1346 C C   . PRO   A 1 173 ? 4.583   -42.788 12.628 1.000 31.481 ? 246 PRO   AaA C   1 ? 
ATOM   1347 O O   . PRO   A 1 173 ? 4.876   -41.822 11.950 1.000 31.079 ? 246 PRO   AaA O   1 ? 
ATOM   1348 C CB  . PRO   A 1 173 ? 6.628   -44.144 13.011 1.000 33.944 ? 246 PRO   AaA CB  1 ? 
ATOM   1349 C CG  . PRO   A 1 173 ? 7.484   -43.599 11.901 1.000 33.565 ? 246 PRO   AaA CG  1 ? 
ATOM   1350 C CD  . PRO   A 1 173 ? 6.935   -44.278 10.662 1.000 33.647 ? 246 PRO   AaA CD  1 ? 
ATOM   1351 N N   . ALA   A 1 174 ? 3.757   -42.725 13.661 1.000 28.649 ? 247 ALA   AaA N   1 ? 
ATOM   1352 C CA  . ALA   A 1 174 ? 3.105   -41.473 14.088 1.000 28.119 ? 247 ALA   AaA CA  1 ? 
ATOM   1353 C C   . ALA   A 1 174 ? 4.177   -40.540 14.651 1.000 29.790 ? 247 ALA   AaA C   1 ? 
ATOM   1354 O O   . ALA   A 1 174 ? 5.123   -41.037 15.290 1.000 31.533 ? 247 ALA   AaA O   1 ? 
ATOM   1355 C CB  . ALA   A 1 174 ? 2.019   -41.787 15.085 1.000 27.013 ? 247 ALA   AaA CB  1 ? 
ATOM   1356 N N   . GLN   A 1 175 ? 4.060   -39.239 14.412 1.000 27.962 ? 248 GLN   AaA N   1 ? 
ATOM   1357 C CA  . GLN   A 1 175 ? 4.993   -38.241 14.996 1.000 27.738 ? 248 GLN   AaA CA  1 ? 
ATOM   1358 C C   . GLN   A 1 175 ? 4.755   -38.140 16.504 1.000 29.988 ? 248 GLN   AaA C   1 ? 
ATOM   1359 O O   . GLN   A 1 175 ? 5.737   -38.028 17.286 1.000 31.302 ? 248 GLN   AaA O   1 ? 
ATOM   1360 C CB  . GLN   A 1 175 ? 4.819   -36.876 14.334 1.000 29.027 ? 248 GLN   AaA CB  1 ? 
ATOM   1361 C CG  . GLN   A 1 175 ? 5.843   -35.842 14.789 1.000 29.626 ? 248 GLN   AaA CG  1 ? 
ATOM   1362 C CD  . GLN   A 1 175 ? 5.714   -34.507 14.090 1.000 33.534 ? 248 GLN   AaA CD  1 ? 
ATOM   1363 O OE1 . GLN   A 1 175 ? 4.671   -34.177 13.532 1.000 34.908 ? 248 GLN   AaA OE1 1 ? 
ATOM   1364 N NE2 . GLN   A 1 175 ? 6.770   -33.708 14.120 1.000 35.057 ? 248 GLN   AaA NE2 1 ? 
ATOM   1365 N N   . TYR   A 1 176 ? 3.489   -38.116 16.902 1.000 28.498 ? 249 TYR   AaA N   1 ? 
ATOM   1366 C CA  . TYR   A 1 176 ? 3.061   -37.946 18.303 1.000 27.751 ? 249 TYR   AaA CA  1 ? 
ATOM   1367 C C   . TYR   A 1 176 ? 2.011   -38.994 18.629 1.000 27.873 ? 249 TYR   AaA C   1 ? 
ATOM   1368 O O   . TYR   A 1 176 ? 1.255   -39.410 17.734 1.000 25.486 ? 249 TYR   AaA O   1 ? 
ATOM   1369 C CB  . TYR   A 1 176 ? 2.492   -36.546 18.517 1.000 29.216 ? 249 TYR   AaA CB  1 ? 
ATOM   1370 C CG  . TYR   A 1 176 ? 3.395   -35.422 18.093 1.000 29.869 ? 249 TYR   AaA CG  1 ? 
ATOM   1371 C CD1 . TYR   A 1 176 ? 4.614   -35.199 18.727 1.000 32.661 ? 249 TYR   AaA CD1 1 ? 
ATOM   1372 C CD2 . TYR   A 1 176 ? 3.022   -34.557 17.077 1.000 31.721 ? 249 TYR   AaA CD2 1 ? 
ATOM   1373 C CE1 . TYR   A 1 176 ? 5.441   -34.159 18.336 1.000 34.945 ? 249 TYR   AaA CE1 1 ? 
ATOM   1374 C CE2 . TYR   A 1 176 ? 3.830   -33.502 16.684 1.000 34.583 ? 249 TYR   AaA CE2 1 ? 
ATOM   1375 C CZ  . TYR   A 1 176 ? 5.050   -33.309 17.313 1.000 36.063 ? 249 TYR   AaA CZ  1 ? 
ATOM   1376 O OH  . TYR   A 1 176 ? 5.851   -32.266 16.943 1.000 39.003 ? 249 TYR   AaA OH  1 ? 
ATOM   1377 N N   . SER   A 1 177 ? 1.933   -39.353 19.899 1.000 28.435 ? 250 SER   AaA N   1 ? 
ATOM   1378 C CA  . SER   A 1 177 ? 0.929   -40.295 20.415 1.000 29.109 ? 250 SER   AaA CA  1 ? 
ATOM   1379 C C   . SER   A 1 177 ? 0.567   -39.974 21.860 1.000 28.712 ? 250 SER   AaA C   1 ? 
ATOM   1380 O O   . SER   A 1 177 ? 1.409   -39.434 22.630 1.000 30.695 ? 250 SER   AaA O   1 ? 
ATOM   1381 C CB  . SER   A 1 177 ? 1.415   -41.720 20.298 1.000 31.228 ? 250 SER   AaA CB  1 ? 
ATOM   1382 O OG  . SER   A 1 177 ? 2.591   -41.914 21.079 1.000 32.808 ? 250 SER   AaA OG  1 ? 
ATOM   1383 N N   . MET   A 1 178 ? -0.658  -40.325 22.181 1.000 29.000 ? 251 MET   AaA N   1 ? 
ATOM   1384 C CA  . MET   A 1 178 ? -1.107  -40.546 23.569 1.000 29.766 ? 251 MET   AaA CA  1 ? 
ATOM   1385 C C   . MET   A 1 178 ? -1.794  -41.901 23.582 1.000 27.815 ? 251 MET   AaA C   1 ? 
ATOM   1386 O O   . MET   A 1 178 ? -2.860  -42.068 22.985 1.000 28.850 ? 251 MET   AaA O   1 ? 
ATOM   1387 C CB  . MET   A 1 178 ? -2.072  -39.453 24.031 1.000 33.736 ? 251 MET   AaA CB  1 ? 
ATOM   1388 C CG  . MET   A 1 178 ? -2.459  -39.559 25.493 1.000 36.034 ? 251 MET   AaA CG  1 ? 
ATOM   1389 S SD  . MET   A 1 178 ? -1.063  -39.372 26.626 1.000 42.264 ? 251 MET   AaA SD  1 ? 
ATOM   1390 C CE  . MET   A 1 178 ? -0.637  -37.650 26.370 1.000 43.845 ? 251 MET   AaA CE  1 ? 
ATOM   1391 N N   . ILE   A 1 179 ? -1.171  -42.858 24.248 1.000 29.811 ? 252 ILE   AaA N   1 ? 
ATOM   1392 C CA  . ILE   A 1 179 ? -1.702  -44.235 24.251 1.000 30.676 ? 252 ILE   AaA CA  1 ? 
ATOM   1393 C C   . ILE   A 1 179 ? -2.422  -44.507 25.559 1.000 30.426 ? 252 ILE   AaA C   1 ? 
ATOM   1394 O O   . ILE   A 1 179 ? -2.154  -43.813 26.576 1.000 33.731 ? 252 ILE   AaA O   1 ? 
ATOM   1395 C CB  . ILE   A 1 179 ? -0.570  -45.243 24.060 1.000 32.097 ? 252 ILE   AaA CB  1 ? 
ATOM   1396 C CG1 . ILE   A 1 179 ? 0.369   -45.241 25.263 1.000 33.827 ? 252 ILE   AaA CG1 1 ? 
ATOM   1397 C CG2 . ILE   A 1 179 ? 0.178   -44.985 22.765 1.000 33.029 ? 252 ILE   AaA CG2 1 ? 
ATOM   1398 C CD1 . ILE   A 1 179 ? 1.097   -46.549 25.441 1.000 35.543 ? 252 ILE   AaA CD1 1 ? 
ATOM   1399 N N   . GLY   A 1 180 ? -3.260  -45.525 25.517 1.000 32.616 ? 253 GLY   AaA N   1 ? 
ATOM   1400 C CA  . GLY   A 1 180 ? -3.793  -46.135 26.743 1.000 34.878 ? 253 GLY   AaA CA  1 ? 
ATOM   1401 C C   . GLY   A 1 180 ? -4.873  -45.243 27.299 1.000 39.191 ? 253 GLY   AaA C   1 ? 
ATOM   1402 O O   . GLY   A 1 180 ? -5.127  -45.299 28.520 1.000 39.947 ? 253 GLY   AaA O   1 ? 
ATOM   1403 N N   . LEU   A 1 181 ? -5.441  -44.395 26.437 1.000 37.472 ? 254 LEU   AaA N   1 ? 
ATOM   1404 C CA  . LEU   A 1 181 ? -6.554  -43.507 26.841 1.000 33.065 ? 254 LEU   AaA CA  1 ? 
ATOM   1405 C C   . LEU   A 1 181 ? -7.748  -44.393 27.154 1.000 32.492 ? 254 LEU   AaA C   1 ? 
ATOM   1406 O O   . LEU   A 1 181 ? -8.126  -45.257 26.341 1.000 31.374 ? 254 LEU   AaA O   1 ? 
ATOM   1407 C CB  . LEU   A 1 181 ? -6.861  -42.487 25.742 1.000 31.692 ? 254 LEU   AaA CB  1 ? 
ATOM   1408 C CG  . LEU   A 1 181 ? -5.776  -41.434 25.558 1.000 31.298 ? 254 LEU   AaA CG  1 ? 
ATOM   1409 C CD1 . LEU   A 1 181 ? -5.963  -40.728 24.225 1.000 30.418 ? 254 LEU   AaA CD1 1 ? 
ATOM   1410 C CD2 . LEU   A 1 181 ? -5.743  -40.441 26.721 1.000 31.064 ? 254 LEU   AaA CD2 1 ? 
ATOM   1411 N N   . LYS   A 1 182 ? -8.283  -44.220 28.359 1.000 33.409 ? 255 LYS   AaA N   1 ? 
ATOM   1412 C CA  . LYS   A 1 182 ? -9.500  -44.929 28.789 1.000 33.739 ? 255 LYS   AaA CA  1 ? 
ATOM   1413 C C   . LYS   A 1 182 ? -10.524 -43.889 29.209 1.000 31.162 ? 255 LYS   AaA C   1 ? 
ATOM   1414 O O   . LYS   A 1 182 ? -10.198 -42.927 29.898 1.000 32.632 ? 255 LYS   AaA O   1 ? 
ATOM   1415 C CB  . LYS   A 1 182 ? -9.243  -45.854 29.980 1.000 37.684 ? 255 LYS   AaA CB  1 ? 
ATOM   1416 C CG  . LYS   A 1 182 ? -8.158  -46.905 29.811 1.000 41.841 ? 255 LYS   AaA CG  1 ? 
ATOM   1417 C CD  . LYS   A 1 182 ? -7.686  -47.449 31.148 1.000 43.854 ? 255 LYS   AaA CD  1 ? 
ATOM   1418 C CE  . LYS   A 1 182 ? -8.768  -48.231 31.869 1.000 45.641 ? 255 LYS   AaA CE  1 ? 
ATOM   1419 N NZ  . LYS   A 1 182 ? -8.274  -48.824 33.137 1.000 46.603 ? 255 LYS   AaA NZ  1 ? 
ATOM   1420 N N   . PRO   A 1 183 ? -11.786 -44.105 28.814 1.000 26.415 ? 256 PRO   AaA N   1 ? 
ATOM   1421 C CA  . PRO   A 1 183 ? -12.899 -43.305 29.296 1.000 32.372 ? 256 PRO   AaA CA  1 ? 
ATOM   1422 C C   . PRO   A 1 183 ? -13.132 -43.588 30.790 1.000 33.687 ? 256 PRO   AaA C   1 ? 
ATOM   1423 O O   . PRO   A 1 183 ? -12.813 -44.673 31.279 1.000 36.201 ? 256 PRO   AaA O   1 ? 
ATOM   1424 C CB  . PRO   A 1 183 ? -14.071 -43.713 28.382 1.000 28.717 ? 256 PRO   AaA CB  1 ? 
ATOM   1425 C CG  . PRO   A 1 183 ? -13.712 -45.082 27.871 1.000 29.306 ? 256 PRO   AaA CG  1 ? 
ATOM   1426 C CD  . PRO   A 1 183 ? -12.202 -45.138 27.863 1.000 27.929 ? 256 PRO   AaA CD  1 ? 
ATOM   1427 N N   . ARG   A 1 184 ? -13.616 -42.573 31.508 1.000 31.720 ? 257 ARG   AaA N   1 ? 
ATOM   1428 C CA  . ARG   A 1 184 ? -14.150 -42.752 32.870 1.000 30.485 ? 257 ARG   AaA CA  1 ? 
ATOM   1429 C C   . ARG   A 1 184 ? -15.661 -42.558 32.756 1.000 32.493 ? 257 ARG   AaA C   1 ? 
ATOM   1430 O O   . ARG   A 1 184 ? -16.154 -42.282 31.656 1.000 31.206 ? 257 ARG   AaA O   1 ? 
ATOM   1431 C CB  . ARG   A 1 184 ? -13.457 -41.861 33.911 0.500 27.130 ? 257 ARG   AaA CB  1 ? 
ATOM   1432 C CG  . ARG   A 1 184 ? -13.380 -40.376 33.597 0.500 24.697 ? 257 ARG   AaA CG  1 ? 
ATOM   1433 C CD  . ARG   A 1 184 ? -12.575 -39.699 34.691 0.500 23.968 ? 257 ARG   AaA CD  1 ? 
ATOM   1434 N NE  . ARG   A 1 184 ? -12.445 -38.260 34.556 0.500 23.282 ? 257 ARG   AaA NE  1 ? 
ATOM   1435 C CZ  . ARG   A 1 184 ? -13.222 -37.369 35.159 0.500 22.079 ? 257 ARG   AaA CZ  1 ? 
ATOM   1436 N NH1 . ARG   A 1 184 ? -14.229 -37.756 35.927 0.500 21.870 ? 257 ARG   AaA NH1 1 ? 
ATOM   1437 N NH2 . ARG   A 1 184 ? -12.985 -36.086 34.973 0.500 22.147 ? 257 ARG   AaA NH2 1 ? 
ATOM   1438 N N   . ARG   A 1 185 ? -16.383 -42.797 33.840 1.000 33.693 ? 258 ARG   AaA N   1 ? 
ATOM   1439 C CA  . ARG   A 1 185 ? -17.864 -42.805 33.779 1.000 33.757 ? 258 ARG   AaA CA  1 ? 
ATOM   1440 C C   . ARG   A 1 185 ? -18.350 -41.438 33.303 1.000 29.999 ? 258 ARG   AaA C   1 ? 
ATOM   1441 O O   . ARG   A 1 185 ? -19.377 -41.401 32.602 1.000 31.714 ? 258 ARG   AaA O   1 ? 
ATOM   1442 C CB  . ARG   A 1 185 ? -18.438 -43.252 35.120 1.000 36.058 ? 258 ARG   AaA CB  1 ? 
ATOM   1443 C CG  . ARG   A 1 185 ? -18.194 -44.731 35.372 1.000 38.004 ? 258 ARG   AaA CG  1 ? 
ATOM   1444 C CD  . ARG   A 1 185 ? -18.925 -45.251 36.583 1.000 38.645 ? 258 ARG   AaA CD  1 ? 
ATOM   1445 N NE  . ARG   A 1 185 ? -18.507 -46.624 36.823 1.000 37.422 ? 258 ARG   AaA NE  1 ? 
ATOM   1446 C CZ  . ARG   A 1 185 ? -17.942 -47.078 37.938 1.000 39.462 ? 258 ARG   AaA CZ  1 ? 
ATOM   1447 N NH1 . ARG   A 1 185 ? -17.714 -46.276 38.963 1.000 39.936 ? 258 ARG   AaA NH1 1 ? 
ATOM   1448 N NH2 . ARG   A 1 185 ? -17.611 -48.354 38.025 1.000 43.407 ? 258 ARG   AaA NH2 1 ? 
ATOM   1449 N N   . ALA   A 1 186 ? -17.651 -40.349 33.630 1.000 31.289 ? 259 ALA   AaA N   1 ? 
ATOM   1450 C CA  . ALA   A 1 186 ? -18.060 -38.987 33.202 1.000 29.027 ? 259 ALA   AaA CA  1 ? 
ATOM   1451 C C   . ALA   A 1 186 ? -18.090 -38.885 31.665 1.000 30.049 ? 259 ALA   AaA C   1 ? 
ATOM   1452 O O   . ALA   A 1 186 ? -18.791 -38.006 31.140 1.000 29.044 ? 259 ALA   AaA O   1 ? 
ATOM   1453 C CB  . ALA   A 1 186 ? -17.182 -37.928 33.826 1.000 29.437 ? 259 ALA   AaA CB  1 ? 
ATOM   1454 N N   . ASP   A 1 187 ? -17.376 -39.754 30.949 1.000 28.085 ? 260 ASP   AaA N   1 ? 
ATOM   1455 C CA  . ASP   A 1 187 ? -17.318 -39.716 29.462 1.000 26.962 ? 260 ASP   AaA CA  1 ? 
ATOM   1456 C C   . ASP   A 1 187 ? -18.513 -40.431 28.821 1.000 29.819 ? 260 ASP   AaA C   1 ? 
ATOM   1457 O O   . ASP   A 1 187 ? -18.613 -40.383 27.596 1.000 31.461 ? 260 ASP   AaA O   1 ? 
ATOM   1458 C CB  . ASP   A 1 187 ? -16.016 -40.331 28.933 1.000 30.475 ? 260 ASP   AaA CB  1 ? 
ATOM   1459 C CG  . ASP   A 1 187 ? -14.774 -39.567 29.366 1.000 30.800 ? 260 ASP   AaA CG  1 ? 
ATOM   1460 O OD1 . ASP   A 1 187 ? -14.757 -38.348 29.175 1.000 32.370 ? 260 ASP   AaA OD1 1 ? 
ATOM   1461 O OD2 . ASP   A 1 187 ? -13.848 -40.173 29.966 1.000 30.832 ? 260 ASP   AaA OD2 1 ? 
ATOM   1462 N N   . LEU   A 1 188 ? -19.352 -41.112 29.606 1.000 32.267 ? 261 LEU   AaA N   1 ? 
ATOM   1463 C CA  . LEU   A 1 188 ? -20.525 -41.836 29.064 1.000 31.065 ? 261 LEU   AaA CA  1 ? 
ATOM   1464 C C   . LEU   A 1 188 ? -21.761 -40.940 29.114 1.000 32.046 ? 261 LEU   AaA C   1 ? 
ATOM   1465 O O   . LEU   A 1 188 ? -21.933 -40.153 30.090 1.000 30.795 ? 261 LEU   AaA O   1 ? 
ATOM   1466 C CB  . LEU   A 1 188 ? -20.768 -43.123 29.851 1.000 33.594 ? 261 LEU   AaA CB  1 ? 
ATOM   1467 C CG  . LEU   A 1 188 ? -19.557 -44.025 30.050 1.000 38.221 ? 261 LEU   AaA CG  1 ? 
ATOM   1468 C CD1 . LEU   A 1 188 ? -19.948 -45.262 30.840 1.000 40.482 ? 261 LEU   AaA CD1 1 ? 
ATOM   1469 C CD2 . LEU   A 1 188 ? -18.943 -44.408 28.714 1.000 39.733 ? 261 LEU   AaA CD2 1 ? 
ATOM   1470 N N   . ASP   A 1 189 ? -22.601 -41.076 28.101 1.000 28.967 ? 262 ASP   AaA N   1 ? 
ATOM   1471 C CA  . ASP   A 1 189 ? -23.867 -40.316 28.032 1.000 28.034 ? 262 ASP   AaA CA  1 ? 
ATOM   1472 C C   . ASP   A 1 189 ? -24.971 -41.079 28.763 1.000 28.802 ? 262 ASP   AaA C   1 ? 
ATOM   1473 O O   . ASP   A 1 189 ? -24.696 -42.117 29.401 1.000 29.737 ? 262 ASP   AaA O   1 ? 
ATOM   1474 C CB  . ASP   A 1 189 ? -24.247 -40.006 26.594 1.000 30.439 ? 262 ASP   AaA CB  1 ? 
ATOM   1475 C CG  . ASP   A 1 189 ? -24.594 -41.242 25.783 1.000 31.008 ? 262 ASP   AaA CG  1 ? 
ATOM   1476 O OD1 . ASP   A 1 189 ? -24.848 -42.309 26.381 1.000 30.908 ? 262 ASP   AaA OD1 1 ? 
ATOM   1477 O OD2 . ASP   A 1 189 ? -24.569 -41.123 24.567 1.000 36.170 ? 262 ASP   AaA OD2 1 ? 
ATOM   1478 N N   . MET   A 1 190 ? -26.192 -40.564 28.691 1.000 27.834 ? 263 MET   AaA N   1 ? 
ATOM   1479 C CA  . MET   A 1 190 ? -27.321 -41.127 29.472 1.000 31.145 ? 263 MET   AaA CA  1 ? 
ATOM   1480 C C   . MET   A 1 190 ? -27.651 -42.548 28.983 1.000 34.017 ? 263 MET   AaA C   1 ? 
ATOM   1481 O O   . MET   A 1 190 ? -28.301 -43.299 29.741 1.000 37.119 ? 263 MET   AaA O   1 ? 
ATOM   1482 C CB  . MET   A 1 190 ? -28.539 -40.202 29.407 1.000 30.300 ? 263 MET   AaA CB  1 ? 
ATOM   1483 C CG  . MET   A 1 190 ? -29.214 -40.132 28.051 1.000 32.404 ? 263 MET   AaA CG  1 ? 
ATOM   1484 S SD  . MET   A 1 190 ? -30.634 -39.000 28.102 1.000 39.691 ? 263 MET   AaA SD  1 ? 
ATOM   1485 C CE  . MET   A 1 190 ? -29.813 -37.408 28.025 1.000 35.502 ? 263 MET   AaA CE  1 ? 
ATOM   1486 N N   . ASN   A 1 191 ? -27.108 -42.957 27.828 1.000 36.140 ? 264 ASN   AaA N   1 ? 
ATOM   1487 C CA  . ASN   A 1 191 ? -27.307 -44.313 27.243 1.000 37.016 ? 264 ASN   AaA CA  1 ? 
ATOM   1488 C C   . ASN   A 1 191 ? -26.078 -45.199 27.493 1.000 40.777 ? 264 ASN   AaA C   1 ? 
ATOM   1489 O O   . ASN   A 1 191 ? -26.025 -46.313 26.937 1.000 40.267 ? 264 ASN   AaA O   1 ? 
ATOM   1490 C CB  . ASN   A 1 191 ? -27.655 -44.199 25.759 1.000 39.947 ? 264 ASN   AaA CB  1 ? 
ATOM   1491 C CG  . ASN   A 1 191 ? -28.780 -43.211 25.511 1.000 43.843 ? 264 ASN   AaA CG  1 ? 
ATOM   1492 O OD1 . ASN   A 1 191 ? -29.872 -43.341 26.065 1.000 48.984 ? 264 ASN   AaA OD1 1 ? 
ATOM   1493 N ND2 . ASN   A 1 191 ? -28.525 -42.206 24.689 1.000 48.391 ? 264 ASN   AaA ND2 1 ? 
ATOM   1494 N N   . GLN   A 1 192 ? -25.141 -44.749 28.334 1.000 41.888 ? 265 GLN   AaA N   1 ? 
ATOM   1495 C CA  . GLN   A 1 192 ? -23.900 -45.493 28.703 1.000 43.612 ? 265 GLN   AaA CA  1 ? 
ATOM   1496 C C   . GLN   A 1 192 ? -23.057 -45.760 27.454 1.000 40.856 ? 265 GLN   AaA C   1 ? 
ATOM   1497 O O   . GLN   A 1 192 ? -22.235 -46.691 27.485 1.000 38.278 ? 265 GLN   AaA O   1 ? 
ATOM   1498 C CB  . GLN   A 1 192 ? -24.213 -46.805 29.428 1.000 48.991 ? 265 GLN   AaA CB  1 ? 
ATOM   1499 C CG  . GLN   A 1 192 ? -24.761 -46.593 30.828 1.000 51.414 ? 265 GLN   AaA CG  1 ? 
ATOM   1500 C CD  . GLN   A 1 192 ? -24.552 -47.803 31.706 1.000 55.206 ? 265 GLN   AaA CD  1 ? 
ATOM   1501 O OE1 . GLN   A 1 192 ? -23.468 -48.028 32.244 1.000 58.300 ? 265 GLN   AaA OE1 1 ? 
ATOM   1502 N NE2 . GLN   A 1 192 ? -25.602 -48.595 31.856 1.000 58.507 ? 265 GLN   AaA NE2 1 ? 
ATOM   1503 N N   . HIS   A 1 193 ? -23.226 -44.939 26.419 1.000 35.292 ? 266 HIS   AaA N   1 ? 
ATOM   1504 C CA  . HIS   A 1 193 ? -22.275 -44.821 25.291 1.000 36.286 ? 266 HIS   AaA CA  1 ? 
ATOM   1505 C C   . HIS   A 1 193 ? -21.252 -43.731 25.609 1.000 33.809 ? 266 HIS   AaA C   1 ? 
ATOM   1506 O O   . HIS   A 1 193 ? -21.609 -42.712 26.250 1.000 31.709 ? 266 HIS   AaA O   1 ? 
ATOM   1507 C CB  . HIS   A 1 193 ? -23.021 -44.518 23.990 1.000 35.305 ? 266 HIS   AaA CB  1 ? 
ATOM   1508 C CG  . HIS   A 1 193 ? -23.787 -45.701 23.498 1.000 39.215 ? 266 HIS   AaA CG  1 ? 
ATOM   1509 N ND1 . HIS   A 1 193 ? -23.390 -46.436 22.397 1.000 43.284 ? 266 HIS   AaA ND1 1 ? 
ATOM   1510 C CD2 . HIS   A 1 193 ? -24.915 -46.285 23.958 1.000 39.977 ? 266 HIS   AaA CD2 1 ? 
ATOM   1511 C CE1 . HIS   A 1 193 ? -24.244 -47.423 22.204 1.000 47.947 ? 266 HIS   AaA CE1 1 ? 
ATOM   1512 N NE2 . HIS   A 1 193 ? -25.189 -47.354 23.152 1.000 42.861 ? 266 HIS   AaA NE2 1 ? 
ATOM   1513 N N   . VAL   A 1 194 ? -20.025 -43.932 25.140 1.000 29.211 ? 267 VAL   AaA N   1 ? 
ATOM   1514 C CA  . VAL   A 1 194 ? -18.972 -42.884 25.172 1.000 27.080 ? 267 VAL   AaA CA  1 ? 
ATOM   1515 C C   . VAL   A 1 194 ? -19.495 -41.664 24.413 1.000 27.352 ? 267 VAL   AaA C   1 ? 
ATOM   1516 O O   . VAL   A 1 194 ? -19.867 -41.770 23.254 1.000 23.558 ? 267 VAL   AaA O   1 ? 
ATOM   1517 C CB  . VAL   A 1 194 ? -17.633 -43.390 24.621 1.000 27.487 ? 267 VAL   AaA CB  1 ? 
ATOM   1518 C CG1 . VAL   A 1 194 ? -16.693 -42.206 24.409 1.000 27.269 ? 267 VAL   AaA CG1 1 ? 
ATOM   1519 C CG2 . VAL   A 1 194 ? -17.029 -44.370 25.611 1.000 28.324 ? 267 VAL   AaA CG2 1 ? 
ATOM   1520 N N   . ASN   A 1 195 ? -19.526 -40.525 25.093 1.000 29.333 ? 268 ASN   AaA N   1 ? 
ATOM   1521 C CA  . ASN   A 1 195 ? -19.921 -39.224 24.500 1.000 30.559 ? 268 ASN   AaA CA  1 ? 
ATOM   1522 C C   . ASN   A 1 195 ? -19.043 -38.928 23.290 1.000 29.637 ? 268 ASN   AaA C   1 ? 
ATOM   1523 O O   . ASN   A 1 195 ? -17.797 -39.059 23.410 1.000 27.611 ? 268 ASN   AaA O   1 ? 
ATOM   1524 C CB  . ASN   A 1 195 ? -19.729 -38.131 25.544 1.000 26.969 ? 268 ASN   AaA CB  1 ? 
ATOM   1525 C CG  . ASN   A 1 195 ? -20.305 -36.784 25.166 1.000 35.770 ? 268 ASN   AaA CG  1 ? 
ATOM   1526 O OD1 . ASN   A 1 195 ? -20.181 -36.322 24.028 1.000 34.221 ? 268 ASN   AaA OD1 1 ? 
ATOM   1527 N ND2 . ASN   A 1 195 ? -20.919 -36.134 26.142 1.000 39.339 ? 268 ASN   AaA ND2 1 ? 
ATOM   1528 N N   . ASN   A 1 196 ? -19.625 -38.456 22.191 1.000 30.103 ? 269 ASN   AaA N   1 ? 
ATOM   1529 C CA  . ASN   A 1 196 ? -18.800 -38.120 21.007 1.000 29.279 ? 269 ASN   AaA CA  1 ? 
ATOM   1530 C C   . ASN   A 1 196 ? -17.713 -37.077 21.290 1.000 26.256 ? 269 ASN   AaA C   1 ? 
ATOM   1531 O O   . ASN   A 1 196 ? -16.669 -37.108 20.588 1.000 27.395 ? 269 ASN   AaA O   1 ? 
ATOM   1532 C CB  . ASN   A 1 196 ? -19.677 -37.659 19.849 1.000 33.636 ? 269 ASN   AaA CB  1 ? 
ATOM   1533 C CG  . ASN   A 1 196 ? -20.314 -38.828 19.123 1.000 39.771 ? 269 ASN   AaA CG  1 ? 
ATOM   1534 O OD1 . ASN   A 1 196 ? -19.988 -39.985 19.381 1.000 40.423 ? 269 ASN   AaA OD1 1 ? 
ATOM   1535 N ND2 . ASN   A 1 196 ? -21.203 -38.540 18.188 1.000 37.056 ? 269 ASN   AaA ND2 1 ? 
ATOM   1536 N N   . VAL   A 1 197 ? -17.964 -36.088 22.152 1.000 24.861 ? 270 VAL   AaA N   1 ? 
ATOM   1537 C CA  . VAL   A 1 197 ? -17.013 -34.964 22.438 1.000 23.967 ? 270 VAL   AaA CA  1 ? 
ATOM   1538 C C   . VAL   A 1 197 ? -15.727 -35.564 22.993 1.000 22.086 ? 270 VAL   AaA C   1 ? 
ATOM   1539 O O   . VAL   A 1 197 ? -14.642 -34.918 22.946 1.000 21.010 ? 270 VAL   AaA O   1 ? 
ATOM   1540 C CB  . VAL   A 1 197 ? -17.601 -33.970 23.450 1.000 21.238 ? 270 VAL   AaA CB  1 ? 
ATOM   1541 C CG1 . VAL   A 1 197 ? -16.603 -32.922 23.929 1.000 23.497 ? 270 VAL   AaA CG1 1 ? 
ATOM   1542 C CG2 . VAL   A 1 197 ? -18.847 -33.346 22.840 1.000 25.088 ? 270 VAL   AaA CG2 1 ? 
ATOM   1543 N N   . THR   A 1 198 ? -15.853 -36.732 23.594 1.000 23.598 ? 271 THR   AaA N   1 ? 
ATOM   1544 C CA  . THR   A 1 198 ? -14.700 -37.457 24.141 1.000 23.482 ? 271 THR   AaA CA  1 ? 
ATOM   1545 C C   . THR   A 1 198 ? -13.689 -37.659 23.011 1.000 20.110 ? 271 THR   AaA C   1 ? 
ATOM   1546 O O   . THR   A 1 198 ? -12.506 -37.523 23.272 1.000 21.699 ? 271 THR   AaA O   1 ? 
ATOM   1547 C CB  . THR   A 1 198 ? -15.121 -38.795 24.766 1.000 25.972 ? 271 THR   AaA CB  1 ? 
ATOM   1548 O OG1 . THR   A 1 198 ? -16.260 -38.478 25.578 1.000 30.097 ? 271 THR   AaA OG1 1 ? 
ATOM   1549 C CG2 . THR   A 1 198 ? -14.014 -39.453 25.560 1.000 29.914 ? 271 THR   AaA CG2 1 ? 
ATOM   1550 N N   . TYR   A 1 199 ? -14.184 -37.976 21.813 1.000 22.988 ? 272 TYR   AaA N   1 ? 
ATOM   1551 C CA  . TYR   A 1 199 ? -13.303 -38.241 20.635 1.000 23.812 ? 272 TYR   AaA CA  1 ? 
ATOM   1552 C C   . TYR   A 1 199 ? -12.503 -36.983 20.312 1.000 22.210 ? 272 TYR   AaA C   1 ? 
ATOM   1553 O O   . TYR   A 1 199 ? -11.338 -37.081 19.964 1.000 22.298 ? 272 TYR   AaA O   1 ? 
ATOM   1554 C CB  . TYR   A 1 199 ? -14.091 -38.735 19.418 1.000 26.265 ? 272 TYR   AaA CB  1 ? 
ATOM   1555 C CG  . TYR   A 1 199 ? -14.827 -40.024 19.680 1.000 32.057 ? 272 TYR   AaA CG  1 ? 
ATOM   1556 C CD1 . TYR   A 1 199 ? -14.137 -41.167 20.056 1.000 37.571 ? 272 TYR   AaA CD1 1 ? 
ATOM   1557 C CD2 . TYR   A 1 199 ? -16.213 -40.079 19.661 1.000 35.456 ? 272 TYR   AaA CD2 1 ? 
ATOM   1558 C CE1 . TYR   A 1 199 ? -14.799 -42.347 20.360 1.000 38.971 ? 272 TYR   AaA CE1 1 ? 
ATOM   1559 C CE2 . TYR   A 1 199 ? -16.890 -41.255 19.949 1.000 38.251 ? 272 TYR   AaA CE2 1 ? 
ATOM   1560 C CZ  . TYR   A 1 199 ? -16.182 -42.391 20.307 1.000 39.899 ? 272 TYR   AaA CZ  1 ? 
ATOM   1561 O OH  . TYR   A 1 199 ? -16.844 -43.549 20.611 1.000 43.914 ? 272 TYR   AaA OH  1 ? 
ATOM   1562 N N   . ILE   A 1 200 ? -13.097 -35.802 20.431 1.000 19.977 ? 273 ILE   AaA N   1 ? 
ATOM   1563 C CA  . ILE   A 1 200 ? -12.379 -34.542 20.154 1.000 20.121 ? 273 ILE   AaA CA  1 ? 
ATOM   1564 C C   . ILE   A 1 200 ? -11.279 -34.401 21.204 1.000 18.699 ? 273 ILE   AaA C   1 ? 
ATOM   1565 O O   . ILE   A 1 200 ? -10.138 -34.081 20.871 1.000 20.341 ? 273 ILE   AaA O   1 ? 
ATOM   1566 C CB  . ILE   A 1 200 ? -13.352 -33.350 20.142 1.000 21.636 ? 273 ILE   AaA CB  1 ? 
ATOM   1567 C CG1 . ILE   A 1 200 ? -14.290 -33.441 18.934 1.000 22.635 ? 273 ILE   AaA CG1 1 ? 
ATOM   1568 C CG2 . ILE   A 1 200 ? -12.597 -32.038 20.181 1.000 21.939 ? 273 ILE   AaA CG2 1 ? 
ATOM   1569 C CD1 . ILE   A 1 200 ? -15.460 -32.443 18.985 1.000 23.290 ? 273 ILE   AaA CD1 1 ? 
ATOM   1570 N N   . GLY   A 1 201 ? -11.636 -34.575 22.473 1.000 18.640 ? 274 GLY   AaA N   1 ? 
ATOM   1571 C CA  . GLY   A 1 201 ? -10.628 -34.525 23.539 1.000 19.294 ? 274 GLY   AaA CA  1 ? 
ATOM   1572 C C   . GLY   A 1 201 ? -9.473  -35.503 23.310 1.000 19.140 ? 274 GLY   AaA C   1 ? 
ATOM   1573 O O   . GLY   A 1 201 ? -8.290  -35.130 23.446 1.000 20.056 ? 274 GLY   AaA O   1 ? 
ATOM   1574 N N   . TRP   A 1 202 ? -9.790  -36.724 22.897 1.000 19.934 ? 275 TRP   AaA N   1 ? 
ATOM   1575 C CA  . TRP   A 1 202 ? -8.744  -37.756 22.664 1.000 21.601 ? 275 TRP   AaA CA  1 ? 
ATOM   1576 C C   . TRP   A 1 202 ? -7.835  -37.371 21.490 1.000 20.711 ? 275 TRP   AaA C   1 ? 
ATOM   1577 O O   . TRP   A 1 202 ? -6.603  -37.589 21.564 1.000 20.285 ? 275 TRP   AaA O   1 ? 
ATOM   1578 C CB  . TRP   A 1 202 ? -9.457  -39.089 22.472 1.000 23.109 ? 275 TRP   AaA CB  1 ? 
ATOM   1579 C CG  . TRP   A 1 202 ? -9.904  -39.679 23.779 1.000 23.810 ? 275 TRP   AaA CG  1 ? 
ATOM   1580 C CD1 . TRP   A 1 202 ? -9.460  -39.382 25.038 1.000 24.994 ? 275 TRP   AaA CD1 1 ? 
ATOM   1581 C CD2 . TRP   A 1 202 ? -10.809 -40.779 23.932 1.000 28.086 ? 275 TRP   AaA CD2 1 ? 
ATOM   1582 N NE1 . TRP   A 1 202 ? -10.056 -40.192 25.974 1.000 28.098 ? 275 TRP   AaA NE1 1 ? 
ATOM   1583 C CE2 . TRP   A 1 202 ? -10.904 -41.044 25.318 1.000 27.225 ? 275 TRP   AaA CE2 1 ? 
ATOM   1584 C CE3 . TRP   A 1 202 ? -11.589 -41.500 23.035 1.000 28.903 ? 275 TRP   AaA CE3 1 ? 
ATOM   1585 C CZ2 . TRP   A 1 202 ? -11.715 -42.064 25.814 1.000 31.875 ? 275 TRP   AaA CZ2 1 ? 
ATOM   1586 C CZ3 . TRP   A 1 202 ? -12.399 -42.507 23.530 1.000 30.679 ? 275 TRP   AaA CZ3 1 ? 
ATOM   1587 C CH2 . TRP   A 1 202 ? -12.473 -42.757 24.900 1.000 30.711 ? 275 TRP   AaA CH2 1 ? 
ATOM   1588 N N   . VAL   A 1 203 ? -8.398  -36.785 20.448 1.000 20.411 ? 276 VAL   AaA N   1 ? 
ATOM   1589 C CA  . VAL   A 1 203 ? -7.591  -36.325 19.290 1.000 23.818 ? 276 VAL   AaA CA  1 ? 
ATOM   1590 C C   . VAL   A 1 203 ? -6.583  -35.306 19.814 1.000 24.830 ? 276 VAL   AaA C   1 ? 
ATOM   1591 O O   . VAL   A 1 203 ? -5.358  -35.439 19.502 1.000 26.604 ? 276 VAL   AaA O   1 ? 
ATOM   1592 C CB  . VAL   A 1 203 ? -8.454  -35.741 18.162 1.000 26.636 ? 276 VAL   AaA CB  1 ? 
ATOM   1593 C CG1 . VAL   A 1 203 ? -7.618  -34.866 17.233 1.000 28.544 ? 276 VAL   AaA CG1 1 ? 
ATOM   1594 C CG2 . VAL   A 1 203 ? -9.127  -36.880 17.423 1.000 29.849 ? 276 VAL   AaA CG2 1 ? 
ATOM   1595 N N   . LEU   A 1 204 ? -7.050  -34.323 20.583 1.000 22.726 ? 277 LEU   AaA N   1 ? 
ATOM   1596 C CA  . LEU   A 1 204 ? -6.218  -33.175 21.023 1.000 26.422 ? 277 LEU   AaA CA  1 ? 
ATOM   1597 C C   . LEU   A 1 204 ? -5.135  -33.650 21.999 1.000 24.849 ? 277 LEU   AaA C   1 ? 
ATOM   1598 O O   . LEU   A 1 204 ? -4.078  -32.982 22.090 1.000 26.860 ? 277 LEU   AaA O   1 ? 
ATOM   1599 C CB  . LEU   A 1 204 ? -7.078  -32.064 21.643 1.000 28.410 ? 277 LEU   AaA CB  1 ? 
ATOM   1600 C CG  . LEU   A 1 204 ? -8.120  -31.391 20.737 1.000 34.839 ? 277 LEU   AaA CG  1 ? 
ATOM   1601 C CD1 . LEU   A 1 204 ? -8.438  -30.002 21.269 1.000 35.945 ? 277 LEU   AaA CD1 1 ? 
ATOM   1602 C CD2 . LEU   A 1 204 ? -7.698  -31.297 19.280 1.000 32.901 ? 277 LEU   AaA CD2 1 ? 
ATOM   1603 N N   . GLU   A 1 205 ? -5.356  -34.762 22.703 1.000 23.761 ? 278 GLU   AaA N   1 ? 
ATOM   1604 C CA  . GLU   A 1 205 ? -4.385  -35.236 23.729 1.000 25.711 ? 278 GLU   AaA CA  1 ? 
ATOM   1605 C C   . GLU   A 1 205 ? -3.021  -35.517 23.113 1.000 25.584 ? 278 GLU   AaA C   1 ? 
ATOM   1606 O O   . GLU   A 1 205 ? -2.019  -35.413 23.844 1.000 29.004 ? 278 GLU   AaA O   1 ? 
ATOM   1607 C CB  . GLU   A 1 205 ? -4.842  -36.522 24.398 1.000 27.380 ? 278 GLU   AaA CB  1 ? 
ATOM   1608 C CG  . GLU   A 1 205 ? -5.765  -36.272 25.561 1.000 32.249 ? 278 GLU   AaA CG  1 ? 
ATOM   1609 C CD  . GLU   A 1 205 ? -5.084  -35.463 26.656 1.000 36.222 ? 278 GLU   AaA CD  1 ? 
ATOM   1610 O OE1 . GLU   A 1 205 ? -5.406  -34.268 26.797 1.000 37.863 ? 278 GLU   AaA OE1 1 ? 
ATOM   1611 O OE2 . GLU   A 1 205 ? -4.202  -36.020 27.346 1.000 47.978 ? 278 GLU   AaA OE2 1 ? 
ATOM   1612 N N   . SER   A 1 206 ? -2.962  -35.909 21.849 1.000 23.191 ? 279 SER   AaA N   1 ? 
ATOM   1613 C CA  . SER   A 1 206 ? -1.669  -36.228 21.197 1.000 26.114 ? 279 SER   AaA CA  1 ? 
ATOM   1614 C C   . SER   A 1 206 ? -1.041  -34.996 20.553 1.000 26.232 ? 279 SER   AaA C   1 ? 
ATOM   1615 O O   . SER   A 1 206 ? 0.045   -35.155 19.972 1.000 32.127 ? 279 SER   AaA O   1 ? 
ATOM   1616 C CB  . SER   A 1 206 ? -1.799  -37.360 20.209 1.000 25.515 ? 279 SER   AaA CB  1 ? 
ATOM   1617 O OG  . SER   A 1 206 ? -2.768  -37.077 19.221 1.000 27.209 ? 279 SER   AaA OG  1 ? 
ATOM   1618 N N   . ILE   A 1 207 ? -1.696  -33.827 20.596 1.000 26.581 ? 280 ILE   AaA N   1 ? 
ATOM   1619 C CA  . ILE   A 1 207 ? -1.076  -32.575 20.080 1.000 28.179 ? 280 ILE   AaA CA  1 ? 
ATOM   1620 C C   . ILE   A 1 207 ? -0.067  -32.134 21.134 1.000 25.983 ? 280 ILE   AaA C   1 ? 
ATOM   1621 O O   . ILE   A 1 207 ? -0.415  -32.081 22.300 1.000 25.552 ? 280 ILE   AaA O   1 ? 
ATOM   1622 C CB  . ILE   A 1 207 ? -2.130  -31.491 19.800 1.000 30.066 ? 280 ILE   AaA CB  1 ? 
ATOM   1623 C CG1 . ILE   A 1 207 ? -3.113  -31.949 18.720 1.000 31.601 ? 280 ILE   AaA CG1 1 ? 
ATOM   1624 C CG2 . ILE   A 1 207 ? -1.475  -30.146 19.493 1.000 30.876 ? 280 ILE   AaA CG2 1 ? 
ATOM   1625 C CD1 . ILE   A 1 207 ? -3.278  -31.020 17.561 1.000 34.272 ? 280 ILE   AaA CD1 1 ? 
ATOM   1626 N N   . PRO   A 1 208 ? 1.184   -31.792 20.755 1.000 30.154 ? 281 PRO   AaA N   1 ? 
ATOM   1627 C CA  . PRO   A 1 208 ? 2.154   -31.329 21.751 1.000 30.099 ? 281 PRO   AaA CA  1 ? 
ATOM   1628 C C   . PRO   A 1 208 ? 1.685   -30.118 22.565 1.000 29.997 ? 281 PRO   AaA C   1 ? 
ATOM   1629 O O   . PRO   A 1 208 ? 1.029   -29.229 22.043 1.000 29.663 ? 281 PRO   AaA O   1 ? 
ATOM   1630 C CB  . PRO   A 1 208 ? 3.403   -30.959 20.945 1.000 32.345 ? 281 PRO   AaA CB  1 ? 
ATOM   1631 C CG  . PRO   A 1 208 ? 3.244   -31.689 19.621 1.000 34.307 ? 281 PRO   AaA CG  1 ? 
ATOM   1632 C CD  . PRO   A 1 208 ? 1.758   -31.909 19.406 1.000 32.724 ? 281 PRO   AaA CD  1 ? 
ATOM   1633 N N   . GLN   A 1 209 ? 2.060   -30.097 23.845 1.000 31.669 ? 282 GLN   AaA N   1 ? 
ATOM   1634 C CA  . GLN   A 1 209 ? 1.670   -29.023 24.794 1.000 34.158 ? 282 GLN   AaA CA  1 ? 
ATOM   1635 C C   . GLN   A 1 209 ? 2.133   -27.659 24.258 1.000 33.447 ? 282 GLN   AaA C   1 ? 
ATOM   1636 O O   . GLN   A 1 209 ? 1.390   -26.680 24.433 1.000 34.327 ? 282 GLN   AaA O   1 ? 
ATOM   1637 C CB  . GLN   A 1 209 ? 2.247   -29.309 26.182 1.000 38.750 ? 282 GLN   AaA CB  1 ? 
ATOM   1638 C CG  . GLN   A 1 209 ? 1.691   -28.400 27.268 1.000 40.026 ? 282 GLN   AaA CG  1 ? 
ATOM   1639 C CD  . GLN   A 1 209 ? 0.206   -28.577 27.465 1.000 44.269 ? 282 GLN   AaA CD  1 ? 
ATOM   1640 O OE1 . GLN   A 1 209 ? -0.276  -29.674 27.746 1.000 46.840 ? 282 GLN   AaA OE1 1 ? 
ATOM   1641 N NE2 . GLN   A 1 209 ? -0.539  -27.494 27.305 1.000 43.453 ? 282 GLN   AaA NE2 1 ? 
ATOM   1642 N N   . GLU   A 1 210 ? 3.316   -27.604 23.640 1.000 36.646 ? 283 GLU   AaA N   1 ? 
ATOM   1643 C CA  . GLU   A 1 210 ? 3.892   -26.354 23.069 1.000 37.156 ? 283 GLU   AaA CA  1 ? 
ATOM   1644 C C   . GLU   A 1 210 ? 2.933   -25.784 22.024 1.000 35.590 ? 283 GLU   AaA C   1 ? 
ATOM   1645 O O   . GLU   A 1 210 ? 2.770   -24.554 22.004 1.000 36.624 ? 283 GLU   AaA O   1 ? 
ATOM   1646 C CB  . GLU   A 1 210 ? 5.252   -26.566 22.394 1.000 39.320 ? 283 GLU   AaA CB  1 ? 
ATOM   1647 C CG  . GLU   A 1 210 ? 6.349   -27.049 23.323 1.000 44.776 ? 283 GLU   AaA CG  1 ? 
ATOM   1648 C CD  . GLU   A 1 210 ? 6.429   -28.552 23.519 1.000 48.970 ? 283 GLU   AaA CD  1 ? 
ATOM   1649 O OE1 . GLU   A 1 210 ? 7.173   -28.982 24.429 1.000 54.185 ? 283 GLU   AaA OE1 1 ? 
ATOM   1650 O OE2 . GLU   A 1 210 ? 5.746   -29.288 22.771 1.000 46.304 ? 283 GLU   AaA OE2 1 ? 
ATOM   1651 N N   . ILE   A 1 211 ? 2.334   -26.636 21.179 1.000 31.004 ? 284 ILE   AaA N   1 ? 
ATOM   1652 C CA  . ILE   A 1 211 ? 1.381   -26.164 20.125 1.000 32.401 ? 284 ILE   AaA CA  1 ? 
ATOM   1653 C C   . ILE   A 1 211 ? 0.137   -25.635 20.836 1.000 29.146 ? 284 ILE   AaA C   1 ? 
ATOM   1654 O O   . ILE   A 1 211 ? -0.300  -24.512 20.504 1.000 29.512 ? 284 ILE   AaA O   1 ? 
ATOM   1655 C CB  . ILE   A 1 211 ? 1.005   -27.234 19.074 1.000 32.570 ? 284 ILE   AaA CB  1 ? 
ATOM   1656 C CG1 . ILE   A 1 211 ? 2.122   -27.452 18.055 1.000 38.300 ? 284 ILE   AaA CG1 1 ? 
ATOM   1657 C CG2 . ILE   A 1 211 ? -0.276  -26.829 18.358 1.000 32.371 ? 284 ILE   AaA CG2 1 ? 
ATOM   1658 C CD1 . ILE   A 1 211 ? 3.366   -28.108 18.592 1.000 41.586 ? 284 ILE   AaA CD1 1 ? 
ATOM   1659 N N   . VAL   A 1 212 ? -0.422  -26.393 21.787 1.000 28.571 ? 285 VAL   AaA N   1 ? 
ATOM   1660 C CA  . VAL   A 1 212 ? -1.643  -25.945 22.524 1.000 30.955 ? 285 VAL   AaA CA  1 ? 
ATOM   1661 C C   . VAL   A 1 212 ? -1.348  -24.629 23.255 1.000 31.944 ? 285 VAL   AaA C   1 ? 
ATOM   1662 O O   . VAL   A 1 212 ? -2.223  -23.762 23.272 1.000 36.153 ? 285 VAL   AaA O   1 ? 
ATOM   1663 C CB  . VAL   A 1 212 ? -2.180  -27.035 23.478 1.000 36.130 ? 285 VAL   AaA CB  1 ? 
ATOM   1664 C CG1 . VAL   A 1 212 ? -3.307  -26.518 24.362 1.000 36.837 ? 285 VAL   AaA CG1 1 ? 
ATOM   1665 C CG2 . VAL   A 1 212 ? -2.647  -28.248 22.695 1.000 38.648 ? 285 VAL   AaA CG2 1 ? 
ATOM   1666 N N   . ASP   A 1 213 ? -0.142  -24.455 23.787 1.000 33.021 ? 286 ASP   AaA N   1 ? 
ATOM   1667 C CA  . ASP   A 1 213 ? 0.206   -23.237 24.568 1.000 36.407 ? 286 ASP   AaA CA  1 ? 
ATOM   1668 C C   . ASP   A 1 213 ? 0.258   -22.009 23.650 1.000 33.577 ? 286 ASP   AaA C   1 ? 
ATOM   1669 O O   . ASP   A 1 213 ? -0.066  -20.916 24.128 1.000 36.761 ? 286 ASP   AaA O   1 ? 
ATOM   1670 C CB  . ASP   A 1 213 ? 1.529   -23.403 25.317 1.000 38.504 ? 286 ASP   AaA CB  1 ? 
ATOM   1671 C CG  . ASP   A 1 213 ? 1.463   -24.338 26.512 1.000 41.580 ? 286 ASP   AaA CG  1 ? 
ATOM   1672 O OD1 . ASP   A 1 213 ? 0.342   -24.602 26.993 1.000 42.558 ? 286 ASP   AaA OD1 1 ? 
ATOM   1673 O OD2 . ASP   A 1 213 ? 2.540   -24.794 26.947 1.000 43.743 ? 286 ASP   AaA OD2 1 ? 
ATOM   1674 N N   . THR   A 1 214 ? 0.660   -22.176 22.390 1.000 31.173 ? 287 THR   AaA N   1 ? 
ATOM   1675 C CA  . THR   A 1 214 ? 1.032   -21.051 21.492 1.000 31.836 ? 287 THR   AaA CA  1 ? 
ATOM   1676 C C   . THR   A 1 214 ? 0.019   -20.864 20.360 1.000 30.615 ? 287 THR   AaA C   1 ? 
ATOM   1677 O O   . THR   A 1 214 ? 0.179   -19.892 19.584 1.000 29.227 ? 287 THR   AaA O   1 ? 
ATOM   1678 C CB  . THR   A 1 214 ? 2.436   -21.242 20.907 1.000 32.381 ? 287 THR   AaA CB  1 ? 
ATOM   1679 O OG1 . THR   A 1 214 ? 2.499   -22.443 20.138 1.000 31.679 ? 287 THR   AaA OG1 1 ? 
ATOM   1680 C CG2 . THR   A 1 214 ? 3.500   -21.275 21.985 1.000 32.921 ? 287 THR   AaA CG2 1 ? 
ATOM   1681 N N   . HIS   A 1 215 ? -0.950  -21.773 20.210 1.000 28.487 ? 288 HIS   AaA N   1 ? 
ATOM   1682 C CA  . HIS   A 1 215 ? -1.891  -21.738 19.060 1.000 28.205 ? 288 HIS   AaA CA  1 ? 
ATOM   1683 C C   . HIS   A 1 215 ? -3.316  -21.895 19.563 1.000 27.459 ? 288 HIS   AaA C   1 ? 
ATOM   1684 O O   . HIS   A 1 215 ? -3.497  -22.401 20.673 1.000 31.224 ? 288 HIS   AaA O   1 ? 
ATOM   1685 C CB  . HIS   A 1 215 ? -1.589  -22.851 18.061 1.000 28.847 ? 288 HIS   AaA CB  1 ? 
ATOM   1686 C CG  . HIS   A 1 215 ? -0.337  -22.674 17.278 1.000 28.749 ? 288 HIS   AaA CG  1 ? 
ATOM   1687 N ND1 . HIS   A 1 215 ? 0.924   -22.830 17.852 1.000 29.108 ? 288 HIS   AaA ND1 1 ? 
ATOM   1688 C CD2 . HIS   A 1 215 ? -0.135  -22.419 15.968 1.000 28.399 ? 288 HIS   AaA CD2 1 ? 
ATOM   1689 C CE1 . HIS   A 1 215 ? 1.839   -22.646 16.926 1.000 28.241 ? 288 HIS   AaA CE1 1 ? 
ATOM   1690 N NE2 . HIS   A 1 215 ? 1.225   -22.399 15.765 1.000 30.210 ? 288 HIS   AaA NE2 1 ? 
ATOM   1691 N N   . GLU   A 1 216 ? -4.283  -21.498 18.741 1.000 25.611 ? 289 GLU   AaA N   1 ? 
ATOM   1692 C CA  . GLU   A 1 216 ? -5.714  -21.798 18.985 1.000 27.576 ? 289 GLU   AaA CA  1 ? 
ATOM   1693 C C   . GLU   A 1 216 ? -6.192  -22.692 17.847 1.000 24.341 ? 289 GLU   AaA C   1 ? 
ATOM   1694 O O   . GLU   A 1 216 ? -5.746  -22.511 16.711 1.000 24.022 ? 289 GLU   AaA O   1 ? 
ATOM   1695 C CB  . GLU   A 1 216 ? -6.544  -20.524 19.074 1.000 31.961 ? 289 GLU   AaA CB  1 ? 
ATOM   1696 C CG  . GLU   A 1 216 ? -6.077  -19.632 20.204 1.000 36.911 ? 289 GLU   AaA CG  1 ? 
ATOM   1697 C CD  . GLU   A 1 216 ? -7.049  -18.524 20.527 1.000 45.131 ? 289 GLU   AaA CD  1 ? 
ATOM   1698 O OE1 . GLU   A 1 216 ? -6.644  -17.340 20.432 1.000 52.996 ? 289 GLU   AaA OE1 1 ? 
ATOM   1699 O OE2 . GLU   A 1 216 ? -8.204  -18.852 20.879 1.000 46.895 ? 289 GLU   AaA OE2 1 ? 
ATOM   1700 N N   . LEU   A 1 217 ? -7.089  -23.610 18.178 1.000 24.066 ? 290 LEU   AaA N   1 ? 
ATOM   1701 C CA  . LEU   A 1 217 ? -7.722  -24.467 17.162 1.000 22.056 ? 290 LEU   AaA CA  1 ? 
ATOM   1702 C C   . LEU   A 1 217 ? -8.740  -23.650 16.356 1.000 21.650 ? 290 LEU   AaA C   1 ? 
ATOM   1703 O O   . LEU   A 1 217 ? -9.669  -23.120 16.924 1.000 22.706 ? 290 LEU   AaA O   1 ? 
ATOM   1704 C CB  . LEU   A 1 217 ? -8.363  -25.666 17.851 1.000 21.424 ? 290 LEU   AaA CB  1 ? 
ATOM   1705 C CG  . LEU   A 1 217 ? -9.161  -26.606 16.956 1.000 22.465 ? 290 LEU   AaA CG  1 ? 
ATOM   1706 C CD1 . LEU   A 1 217 ? -8.256  -27.297 15.963 1.000 24.159 ? 290 LEU   AaA CD1 1 ? 
ATOM   1707 C CD2 . LEU   A 1 217 ? -9.866  -27.637 17.828 1.000 23.604 ? 290 LEU   AaA CD2 1 ? 
ATOM   1708 N N   . GLN   A 1 218 ? -8.569  -23.626 15.053 1.000 19.174 ? 291 GLN   AaA N   1 ? 
ATOM   1709 C CA  . GLN   A 1 218 ? -9.451  -22.910 14.100 1.000 19.731 ? 291 GLN   AaA CA  1 ? 
ATOM   1710 C C   . GLN   A 1 218 ? -10.432 -23.876 13.427 1.000 18.675 ? 291 GLN   AaA C   1 ? 
ATOM   1711 O O   . GLN   A 1 218 ? -11.605 -23.541 13.353 1.000 19.671 ? 291 GLN   AaA O   1 ? 
ATOM   1712 C CB  . GLN   A 1 218 ? -8.609  -22.227 13.035 1.000 22.774 ? 291 GLN   AaA CB  1 ? 
ATOM   1713 C CG  . GLN   A 1 218 ? -9.450  -21.465 12.021 1.000 29.893 ? 291 GLN   AaA CG  1 ? 
ATOM   1714 C CD  . GLN   A 1 218 ? -9.195  -19.982 12.060 1.000 35.341 ? 291 GLN   AaA CD  1 ? 
ATOM   1715 O OE1 . GLN   A 1 218 ? -8.051  -19.536 11.985 1.000 43.083 ? 291 GLN   AaA OE1 1 ? 
ATOM   1716 N NE2 . GLN   A 1 218 ? -10.272 -19.217 12.194 1.000 42.631 ? 291 GLN   AaA NE2 1 ? 
ATOM   1717 N N   . VAL   A 1 219 ? -9.968  -25.031 12.987 1.000 18.749 ? 292 VAL   AaA N   1 ? 
ATOM   1718 C CA  . VAL   A 1 219 ? -10.857 -25.998 12.283 1.000 18.851 ? 292 VAL   AaA CA  1 ? 
ATOM   1719 C C   . VAL   A 1 219 ? -10.543 -27.395 12.781 1.000 19.371 ? 292 VAL   AaA C   1 ? 
ATOM   1720 O O   . VAL   A 1 219 ? -9.366  -27.757 12.862 1.000 20.154 ? 292 VAL   AaA O   1 ? 
ATOM   1721 C CB  . VAL   A 1 219 ? -10.703 -25.945 10.759 1.000 20.785 ? 292 VAL   AaA CB  1 ? 
ATOM   1722 C CG1 . VAL   A 1 219 ? -11.725 -26.820 10.057 1.000 21.887 ? 292 VAL   AaA CG1 1 ? 
ATOM   1723 C CG2 . VAL   A 1 219 ? -10.736 -24.524 10.225 1.000 21.759 ? 292 VAL   AaA CG2 1 ? 
ATOM   1724 N N   . ILE   A 1 220 ? -11.580 -28.189 13.041 1.000 18.789 ? 293 ILE   AaA N   1 ? 
ATOM   1725 C CA  . ILE   A 1 220 ? -11.450 -29.651 13.231 1.000 17.445 ? 293 ILE   AaA CA  1 ? 
ATOM   1726 C C   . ILE   A 1 220 ? -12.442 -30.341 12.321 1.000 17.632 ? 293 ILE   AaA C   1 ? 
ATOM   1727 O O   . ILE   A 1 220 ? -13.624 -29.909 12.247 1.000 18.167 ? 293 ILE   AaA O   1 ? 
ATOM   1728 C CB  . ILE   A 1 220 ? -11.613 -30.046 14.702 1.000 17.520 ? 293 ILE   AaA CB  1 ? 
ATOM   1729 C CG1 . ILE   A 1 220 ? -11.459 -31.552 14.907 1.000 18.452 ? 293 ILE   AaA CG1 1 ? 
ATOM   1730 C CG2 . ILE   A 1 220 ? -12.929 -29.530 15.247 1.000 18.533 ? 293 ILE   AaA CG2 1 ? 
ATOM   1731 C CD1 . ILE   A 1 220 ? -11.183 -31.942 16.322 1.000 20.734 ? 293 ILE   AaA CD1 1 ? 
ATOM   1732 N N   . THR   A 1 221 ? -11.987 -31.405 11.685 1.000 18.948 ? 294 THR   AaA N   1 ? 
ATOM   1733 C CA  . THR   A 1 221 ? -12.837 -32.301 10.894 1.000 18.118 ? 294 THR   AaA CA  1 ? 
ATOM   1734 C C   . THR   A 1 221 ? -12.590 -33.710 11.395 1.000 19.668 ? 294 THR   AaA C   1 ? 
ATOM   1735 O O   . THR   A 1 221 ? -11.415 -34.137 11.438 1.000 17.893 ? 294 THR   AaA O   1 ? 
ATOM   1736 C CB  . THR   A 1 221 ? -12.545 -32.215 9.411  1.000 19.419 ? 294 THR   AaA CB  1 ? 
ATOM   1737 O OG1 . THR   A 1 221 ? -12.532 -30.847 9.011  1.000 21.878 ? 294 THR   AaA OG1 1 ? 
ATOM   1738 C CG2 . THR   A 1 221 ? -13.542 -33.002 8.588  1.000 21.163 ? 294 THR   AaA CG2 1 ? 
ATOM   1739 N N   . LEU   A 1 222 ? -13.631 -34.402 11.808 1.000 18.101 ? 295 LEU   AaA N   1 ? 
ATOM   1740 C CA  . LEU   A 1 222 ? -13.529 -35.792 12.258 1.000 19.150 ? 295 LEU   AaA CA  1 ? 
ATOM   1741 C C   . LEU   A 1 222 ? -14.438 -36.658 11.408 1.000 23.010 ? 295 LEU   AaA C   1 ? 
ATOM   1742 O O   . LEU   A 1 222 ? -15.629 -36.296 11.222 1.000 21.362 ? 295 LEU   AaA O   1 ? 
ATOM   1743 C CB  . LEU   A 1 222 ? -13.930 -35.891 13.719 1.000 23.656 ? 295 LEU   AaA CB  1 ? 
ATOM   1744 C CG  . LEU   A 1 222 ? -12.847 -35.744 14.763 1.000 26.641 ? 295 LEU   AaA CG  1 ? 
ATOM   1745 C CD1 . LEU   A 1 222 ? -13.494 -35.826 16.130 1.000 26.719 ? 295 LEU   AaA CD1 1 ? 
ATOM   1746 C CD2 . LEU   A 1 222 ? -11.801 -36.849 14.620 1.000 24.743 ? 295 LEU   AaA CD2 1 ? 
ATOM   1747 N N   . ASP   A 1 223 ? -13.902 -37.768 10.915 1.000 23.319 ? 296 ASP   AaA N   1 ? 
ATOM   1748 C CA  . ASP   A 1 223 ? -14.715 -38.879 10.384 1.000 30.716 ? 296 ASP   AaA CA  1 ? 
ATOM   1749 C C   . ASP   A 1 223 ? -14.882 -39.864 11.544 1.000 35.493 ? 296 ASP   AaA C   1 ? 
ATOM   1750 O O   . ASP   A 1 223 ? -13.942 -40.031 12.367 1.000 41.384 ? 296 ASP   AaA O   1 ? 
ATOM   1751 C CB  . ASP   A 1 223 ? -14.093 -39.472 9.125  1.000 33.466 ? 296 ASP   AaA CB  1 ? 
ATOM   1752 C CG  . ASP   A 1 223 ? -14.042 -38.515 7.953  1.000 34.899 ? 296 ASP   AaA CG  1 ? 
ATOM   1753 O OD1 . ASP   A 1 223 ? -14.807 -37.513 7.952  1.000 40.833 ? 296 ASP   AaA OD1 1 ? 
ATOM   1754 O OD2 . ASP   A 1 223 ? -13.243 -38.775 7.037  1.000 44.217 ? 296 ASP   AaA OD2 1 ? 
ATOM   1755 N N   . TYR   A 1 224 ? -16.061 -40.462 11.650 1.000 33.772 ? 297 TYR   AaA N   1 ? 
ATOM   1756 C CA  . TYR   A 1 224 ? -16.339 -41.542 12.630 1.000 35.254 ? 297 TYR   AaA CA  1 ? 
ATOM   1757 C C   . TYR   A 1 224 ? -16.540 -42.797 11.785 1.000 40.354 ? 297 TYR   AaA C   1 ? 
ATOM   1758 O O   . TYR   A 1 224 ? -17.263 -42.758 10.777 1.000 41.267 ? 297 TYR   AaA O   1 ? 
ATOM   1759 C CB  . TYR   A 1 224 ? -17.488 -41.186 13.577 1.000 34.988 ? 297 TYR   AaA CB  1 ? 
ATOM   1760 C CG  . TYR   A 1 224 ? -17.340 -39.891 14.340 1.000 36.448 ? 297 TYR   AaA CG  1 ? 
ATOM   1761 C CD1 . TYR   A 1 224 ? -17.422 -38.679 13.683 1.000 31.813 ? 297 TYR   AaA CD1 1 ? 
ATOM   1762 C CD2 . TYR   A 1 224 ? -17.147 -39.858 15.716 1.000 36.655 ? 297 TYR   AaA CD2 1 ? 
ATOM   1763 C CE1 . TYR   A 1 224 ? -17.290 -37.478 14.355 1.000 33.742 ? 297 TYR   AaA CE1 1 ? 
ATOM   1764 C CE2 . TYR   A 1 224 ? -17.020 -38.659 16.408 1.000 41.390 ? 297 TYR   AaA CE2 1 ? 
ATOM   1765 C CZ  . TYR   A 1 224 ? -17.088 -37.464 15.721 1.000 36.159 ? 297 TYR   AaA CZ  1 ? 
ATOM   1766 O OH  . TYR   A 1 224 ? -16.985 -36.256 16.345 1.000 42.645 ? 297 TYR   AaA OH  1 ? 
ATOM   1767 N N   . ARG   A 1 225 ? -15.770 -43.836 12.098 1.000 42.636 ? 298 ARG   AaA N   1 ? 
ATOM   1768 C CA  . ARG   A 1 225 ? -15.713 -45.073 11.279 1.000 44.840 ? 298 ARG   AaA CA  1 ? 
ATOM   1769 C C   . ARG   A 1 225 ? -16.560 -46.152 11.948 1.000 43.212 ? 298 ARG   AaA C   1 ? 
ATOM   1770 O O   . ARG   A 1 225 ? -17.273 -46.898 11.253 1.000 46.309 ? 298 ARG   AaA O   1 ? 
ATOM   1771 C CB  . ARG   A 1 225 ? -14.272 -45.575 11.182 1.000 44.888 ? 298 ARG   AaA CB  1 ? 
ATOM   1772 C CG  . ARG   A 1 225 ? -14.137 -46.813 10.309 1.000 48.083 ? 298 ARG   AaA CG  1 ? 
ATOM   1773 C CD  . ARG   A 1 225 ? -12.852 -46.870 9.500  1.000 50.779 ? 298 ARG   AaA CD  1 ? 
ATOM   1774 N NE  . ARG   A 1 225 ? -12.800 -45.892 8.410  1.000 50.852 ? 298 ARG   AaA NE  1 ? 
ATOM   1775 C CZ  . ARG   A 1 225 ? -12.423 -46.140 7.152  1.000 52.965 ? 298 ARG   AaA CZ  1 ? 
ATOM   1776 N NH1 . ARG   A 1 225 ? -12.046 -47.352 6.779  1.000 55.310 ? 298 ARG   AaA NH1 1 ? 
ATOM   1777 N NH2 . ARG   A 1 225 ? -12.413 -45.161 6.264  1.000 53.504 ? 298 ARG   AaA NH2 1 ? 
ATOM   1778 N N   . ARG   A 1 226 ? -16.428 -46.206 13.258 1.000 38.963 ? 299 ARG   AaA N   1 ? 
ATOM   1779 C CA  . ARG   A 1 226 ? -16.818 -47.323 14.132 1.000 46.286 ? 299 ARG   AaA CA  1 ? 
ATOM   1780 C C   . ARG   A 1 226 ? -16.929 -46.681 15.509 1.000 45.753 ? 299 ARG   AaA C   1 ? 
ATOM   1781 O O   . ARG   A 1 226 ? -15.992 -45.947 15.889 1.000 50.759 ? 299 ARG   AaA O   1 ? 
ATOM   1782 C CB  . ARG   A 1 226 ? -15.761 -48.429 13.991 1.000 45.427 ? 299 ARG   AaA CB  1 ? 
ATOM   1783 C CG  . ARG   A 1 226 ? -15.458 -49.222 15.255 1.000 50.064 ? 299 ARG   AaA CG  1 ? 
ATOM   1784 C CD  . ARG   A 1 226 ? -16.433 -50.355 15.522 1.000 54.747 ? 299 ARG   AaA CD  1 ? 
ATOM   1785 N NE  . ARG   A 1 226 ? -15.762 -51.541 16.056 1.000 54.798 ? 299 ARG   AaA NE  1 ? 
ATOM   1786 C CZ  . ARG   A 1 226 ? -15.408 -51.745 17.329 1.000 54.826 ? 299 ARG   AaA CZ  1 ? 
ATOM   1787 N NH1 . ARG   A 1 226 ? -15.648 -50.845 18.279 1.000 48.384 ? 299 ARG   AaA NH1 1 ? 
ATOM   1788 N NH2 . ARG   A 1 226 ? -14.806 -52.879 17.645 1.000 53.680 ? 299 ARG   AaA NH2 1 ? 
ATOM   1789 N N   . GLU   A 1 227 ? -18.064 -46.836 16.187 1.000 44.016 ? 300 GLU   AaA N   1 ? 
ATOM   1790 C CA  . GLU   A 1 227 ? -18.182 -46.282 17.554 1.000 40.806 ? 300 GLU   AaA CA  1 ? 
ATOM   1791 C C   . GLU   A 1 227 ? -17.160 -47.019 18.411 1.000 34.396 ? 300 GLU   AaA C   1 ? 
ATOM   1792 O O   . GLU   A 1 227 ? -16.753 -48.096 18.001 1.000 38.845 ? 300 GLU   AaA O   1 ? 
ATOM   1793 C CB  . GLU   A 1 227 ? -19.574 -46.454 18.156 1.000 42.636 ? 300 GLU   AaA CB  1 ? 
ATOM   1794 C CG  . GLU   A 1 227 ? -19.529 -46.353 19.665 1.000 43.663 ? 300 GLU   AaA CG  1 ? 
ATOM   1795 C CD  . GLU   A 1 227 ? -20.835 -46.517 20.406 1.000 44.874 ? 300 GLU   AaA CD  1 ? 
ATOM   1796 O OE1 . GLU   A 1 227 ? -21.572 -47.505 20.112 1.000 43.224 ? 300 GLU   AaA OE1 1 ? 
ATOM   1797 O OE2 . GLU   A 1 227 ? -21.076 -45.687 21.310 1.000 42.926 ? 300 GLU   AaA OE2 1 ? 
ATOM   1798 N N   . CYS   A 1 228 ? -16.820 -46.471 19.578 1.000 35.811 ? 301 CYS   AaA N   1 ? 
ATOM   1799 C CA  . CYS   A 1 228 ? -15.935 -47.048 20.642 1.000 36.436 ? 301 CYS   AaA CA  1 ? 
ATOM   1800 C C   . CYS   A 1 228 ? -16.683 -47.408 21.966 1.000 44.006 ? 301 CYS   AaA C   1 ? 
ATOM   1801 O O   . CYS   A 1 228 ? -17.751 -46.787 22.151 1.000 45.794 ? 301 CYS   AaA O   1 ? 
ATOM   1802 C CB  . CYS   A 1 228 ? -14.886 -45.985 20.898 1.000 37.676 ? 301 CYS   AaA CB  1 ? 
ATOM   1803 S SG  . CYS   A 1 228 ? -14.122 -46.098 22.518 1.000 34.385 ? 301 CYS   AaA SG  1 ? 
ATOM   1804 N N   . GLN   A 1 229 ? -16.125 -48.260 22.892 1.000 46.476 ? 302 GLN   AaA N   1 ? 
ATOM   1805 C CA  . GLN   A 1 229 ? -16.816 -48.858 24.111 1.000 42.594 ? 302 GLN   AaA CA  1 ? 
ATOM   1806 C C   . GLN   A 1 229 ? -16.162 -48.574 25.491 1.000 45.795 ? 302 GLN   AaA C   1 ? 
ATOM   1807 O O   . GLN   A 1 229 ? -14.988 -48.162 25.574 1.000 41.332 ? 302 GLN   AaA O   1 ? 
ATOM   1808 C CB  . GLN   A 1 229 ? -16.914 -50.396 24.088 1.000 45.545 ? 302 GLN   AaA CB  1 ? 
ATOM   1809 C CG  . GLN   A 1 229 ? -17.180 -51.032 22.731 1.000 46.083 ? 302 GLN   AaA CG  1 ? 
ATOM   1810 C CD  . GLN   A 1 229 ? -18.508 -50.639 22.136 1.000 45.265 ? 302 GLN   AaA CD  1 ? 
ATOM   1811 O OE1 . GLN   A 1 229 ? -19.431 -50.237 22.839 1.000 54.475 ? 302 GLN   AaA OE1 1 ? 
ATOM   1812 N NE2 . GLN   A 1 229 ? -18.621 -50.782 20.826 1.000 49.301 ? 302 GLN   AaA NE2 1 ? 
ATOM   1813 N N   . GLN   A 1 230 ? -16.887 -48.888 26.583 1.000 44.526 ? 303 GLN   AaA N   1 ? 
ATOM   1814 C CA  . GLN   A 1 230 ? -16.541 -48.467 27.978 1.000 44.905 ? 303 GLN   AaA CA  1 ? 
ATOM   1815 C C   . GLN   A 1 230 ? -15.271 -49.175 28.462 1.000 44.809 ? 303 GLN   AaA C   1 ? 
ATOM   1816 O O   . GLN   A 1 230 ? -14.497 -48.555 29.225 1.000 45.839 ? 303 GLN   AaA O   1 ? 
ATOM   1817 C CB  . GLN   A 1 230 ? -17.657 -48.784 28.986 1.000 47.887 ? 303 GLN   AaA CB  1 ? 
ATOM   1818 C CG  . GLN   A 1 230 ? -19.072 -48.485 28.503 1.000 47.885 ? 303 GLN   AaA CG  1 ? 
ATOM   1819 C CD  . GLN   A 1 230 ? -20.121 -48.935 29.494 1.000 47.339 ? 303 GLN   AaA CD  1 ? 
ATOM   1820 O OE1 . GLN   A 1 230 ? -19.852 -49.102 30.686 1.000 43.882 ? 303 GLN   AaA OE1 1 ? 
ATOM   1821 N NE2 . GLN   A 1 230 ? -21.329 -49.149 28.995 1.000 43.511 ? 303 GLN   AaA NE2 1 ? 
ATOM   1822 N N   . ASP   A 1 231 ? -15.094 -50.429 28.044 1.000 46.024 ? 304 ASP   AaA N   1 ? 
ATOM   1823 C CA  . ASP   A 1 231 ? -14.053 -51.373 28.540 1.000 49.391 ? 304 ASP   AaA CA  1 ? 
ATOM   1824 C C   . ASP   A 1 231 ? -12.781 -51.222 27.697 1.000 46.179 ? 304 ASP   AaA C   1 ? 
ATOM   1825 O O   . ASP   A 1 231 ? -11.757 -51.866 28.027 1.000 42.992 ? 304 ASP   AaA O   1 ? 
ATOM   1826 C CB  . ASP   A 1 231 ? -14.584 -52.810 28.491 1.000 54.880 ? 304 ASP   AaA CB  1 ? 
ATOM   1827 C CG  . ASP   A 1 231 ? -15.384 -53.118 27.232 1.000 57.014 ? 304 ASP   AaA CG  1 ? 
ATOM   1828 O OD1 . ASP   A 1 231 ? -14.826 -52.954 26.129 1.000 64.010 ? 304 ASP   AaA OD1 1 ? 
ATOM   1829 O OD2 . ASP   A 1 231 ? -16.574 -53.484 27.361 1.000 62.425 ? 304 ASP   AaA OD2 1 ? 
ATOM   1830 N N   . ASP   A 1 232 ? -12.841 -50.379 26.664 1.000 40.615 ? 305 ASP   AaA N   1 ? 
ATOM   1831 C CA  . ASP   A 1 232 ? -11.778 -50.262 25.633 1.000 37.991 ? 305 ASP   AaA CA  1 ? 
ATOM   1832 C C   . ASP   A 1 232 ? -10.688 -49.273 26.012 1.000 37.223 ? 305 ASP   AaA C   1 ? 
ATOM   1833 O O   . ASP   A 1 232 ? -10.840 -48.457 26.948 1.000 34.911 ? 305 ASP   AaA O   1 ? 
ATOM   1834 C CB  . ASP   A 1 232 ? -12.320 -49.778 24.294 1.000 32.457 ? 305 ASP   AaA CB  1 ? 
ATOM   1835 C CG  . ASP   A 1 232 ? -13.013 -50.860 23.501 1.000 38.652 ? 305 ASP   AaA CG  1 ? 
ATOM   1836 O OD1 . ASP   A 1 232 ? -12.761 -52.045 23.809 1.000 42.879 ? 305 ASP   AaA OD1 1 ? 
ATOM   1837 O OD2 . ASP   A 1 232 ? -13.785 -50.509 22.565 1.000 35.554 ? 305 ASP   AaA OD2 1 ? 
ATOM   1838 N N   . VAL   A 1 233 ? -9.622  -49.370 25.231 1.000 33.871 ? 306 VAL   AaA N   1 ? 
ATOM   1839 C CA  . VAL   A 1 233 ? -8.409  -48.544 25.360 1.000 34.265 ? 306 VAL   AaA CA  1 ? 
ATOM   1840 C C   . VAL   A 1 233 ? -8.122  -48.071 23.942 1.000 33.667 ? 306 VAL   AaA C   1 ? 
ATOM   1841 O O   . VAL   A 1 233 ? -8.310  -48.854 22.982 1.000 35.392 ? 306 VAL   AaA O   1 ? 
ATOM   1842 C CB  . VAL   A 1 233 ? -7.255  -49.332 25.996 1.000 30.930 ? 306 VAL   AaA CB  1 ? 
ATOM   1843 C CG1 . VAL   A 1 233 ? -6.055  -48.457 26.267 1.000 34.197 ? 306 VAL   AaA CG1 1 ? 
ATOM   1844 C CG2 . VAL   A 1 233 ? -7.707  -50.003 27.287 1.000 33.351 ? 306 VAL   AaA CG2 1 ? 
ATOM   1845 N N   . VAL   A 1 234 ? -7.818  -46.785 23.855 1.000 31.897 ? 307 VAL   AaA N   1 ? 
ATOM   1846 C CA  . VAL   A 1 234 ? -7.682  -46.062 22.569 1.000 31.281 ? 307 VAL   AaA CA  1 ? 
ATOM   1847 C C   . VAL   A 1 234 ? -6.313  -45.439 22.560 1.000 25.743 ? 307 VAL   AaA C   1 ? 
ATOM   1848 O O   . VAL   A 1 234 ? -5.844  -44.917 23.602 1.000 27.937 ? 307 VAL   AaA O   1 ? 
ATOM   1849 C CB  . VAL   A 1 234 ? -8.750  -44.969 22.387 1.000 30.003 ? 307 VAL   AaA CB  1 ? 
ATOM   1850 C CG1 . VAL   A 1 234 ? -8.396  -44.059 21.221 1.000 30.829 ? 307 VAL   AaA CG1 1 ? 
ATOM   1851 C CG2 . VAL   A 1 234 ? -10.124 -45.560 22.194 1.000 31.974 ? 307 VAL   AaA CG2 1 ? 
ATOM   1852 N N   . ASP   A 1 235 ? -5.712  -45.459 21.375 1.000 26.555 ? 308 ASP   AaA N   1 ? 
ATOM   1853 C CA  . ASP   A 1 235 ? -4.475  -44.731 21.081 1.000 24.466 ? 308 ASP   AaA CA  1 ? 
ATOM   1854 C C   . ASP   A 1 235 ? -4.838  -43.574 20.144 1.000 22.483 ? 308 ASP   AaA C   1 ? 
ATOM   1855 O O   . ASP   A 1 235 ? -5.475  -43.816 19.111 1.000 23.114 ? 308 ASP   AaA O   1 ? 
ATOM   1856 C CB  . ASP   A 1 235 ? -3.457  -45.675 20.451 1.000 25.335 ? 308 ASP   AaA CB  1 ? 
ATOM   1857 C CG  . ASP   A 1 235 ? -3.080  -46.844 21.350 1.000 28.164 ? 308 ASP   AaA CG  1 ? 
ATOM   1858 O OD1 . ASP   A 1 235 ? -3.246  -46.751 22.585 1.000 29.620 ? 308 ASP   AaA OD1 1 ? 
ATOM   1859 O OD2 . ASP   A 1 235 ? -2.575  -47.858 20.790 1.000 27.843 ? 308 ASP   AaA OD2 1 ? 
ATOM   1860 N N   . SER   A 1 236 ? -4.399  -42.393 20.546 1.000 22.752 ? 309 SER   AaA N   1 ? 
ATOM   1861 C CA  . SER   A 1 236 ? -4.483  -41.135 19.772 1.000 22.392 ? 309 SER   AaA CA  1 ? 
ATOM   1862 C C   . SER   A 1 236 ? -3.147  -40.892 19.084 1.000 21.287 ? 309 SER   AaA C   1 ? 
ATOM   1863 O O   . SER   A 1 236 ? -2.138  -40.689 19.766 1.000 22.856 ? 309 SER   AaA O   1 ? 
ATOM   1864 C CB  . SER   A 1 236 ? -4.828  -40.005 20.703 1.000 24.504 ? 309 SER   AaA CB  1 ? 
ATOM   1865 O OG  . SER   A 1 236 ? -4.831  -38.754 20.000 1.000 24.121 ? 309 SER   AaA OG  1 ? 
ATOM   1866 N N   . LEU   A 1 237 ? -3.173  -40.833 17.753 1.000 21.127 ? 310 LEU   AaA N   1 ? 
ATOM   1867 C CA  . LEU   A 1 237 ? -1.958  -40.697 16.914 1.000 23.691 ? 310 LEU   AaA CA  1 ? 
ATOM   1868 C C   . LEU   A 1 237 ? -2.083  -39.408 16.119 1.000 21.366 ? 310 LEU   AaA C   1 ? 
ATOM   1869 O O   . LEU   A 1 237 ? -3.174  -39.167 15.546 1.000 21.002 ? 310 LEU   AaA O   1 ? 
ATOM   1870 C CB  . LEU   A 1 237 ? -1.812  -41.909 15.992 1.000 23.910 ? 310 LEU   AaA CB  1 ? 
ATOM   1871 C CG  . LEU   A 1 237 ? -1.915  -43.270 16.684 1.000 24.471 ? 310 LEU   AaA CG  1 ? 
ATOM   1872 C CD1 . LEU   A 1 237 ? -1.900  -44.445 15.696 1.000 24.018 ? 310 LEU   AaA CD1 1 ? 
ATOM   1873 C CD2 . LEU   A 1 237 ? -0.795  -43.427 17.693 1.000 23.548 ? 310 LEU   AaA CD2 1 ? 
ATOM   1874 N N   . THR   A 1 238 ? -0.996  -38.662 16.038 1.000 22.485 ? 311 THR   AaA N   1 ? 
ATOM   1875 C CA  . THR   A 1 238 ? -0.967  -37.368 15.332 1.000 22.959 ? 311 THR   AaA CA  1 ? 
ATOM   1876 C C   . THR   A 1 238 ? 0.334   -37.210 14.562 1.000 24.863 ? 311 THR   AaA C   1 ? 
ATOM   1877 O O   . THR   A 1 238 ? 1.407   -37.494 15.129 1.000 23.620 ? 311 THR   AaA O   1 ? 
ATOM   1878 C CB  . THR   A 1 238 ? -1.169  -36.213 16.313 1.000 24.031 ? 311 THR   AaA CB  1 ? 
ATOM   1879 O OG1 . THR   A 1 238 ? -2.508  -36.287 16.815 1.000 25.876 ? 311 THR   AaA OG1 1 ? 
ATOM   1880 C CG2 . THR   A 1 238 ? -0.934  -34.864 15.682 1.000 25.420 ? 311 THR   AaA CG2 1 ? 
ATOM   1881 N N   . THR   A 1 239 ? 0.236   -36.726 13.334 1.000 22.703 ? 312 THR   AaA N   1 ? 
ATOM   1882 C CA  . THR   A 1 239 ? 1.423   -36.281 12.571 1.000 22.940 ? 312 THR   AaA CA  1 ? 
ATOM   1883 C C   . THR   A 1 239 ? 1.162   -34.897 12.006 1.000 23.235 ? 312 THR   AaA C   1 ? 
ATOM   1884 O O   . THR   A 1 239 ? 0.034   -34.654 11.494 1.000 24.658 ? 312 THR   AaA O   1 ? 
ATOM   1885 C CB  . THR   A 1 239 ? 1.752   -37.272 11.458 1.000 25.189 ? 312 THR   AaA CB  1 ? 
ATOM   1886 O OG1 . THR   A 1 239 ? 2.095   -38.511 12.084 1.000 23.545 ? 312 THR   AaA OG1 1 ? 
ATOM   1887 C CG2 . THR   A 1 239 ? 2.879   -36.826 10.553 1.000 25.990 ? 312 THR   AaA CG2 1 ? 
ATOM   1888 N N   . THR   A 1 240 ? 2.182   -34.042 12.031 1.000 24.623 ? 313 THR   AaA N   1 ? 
ATOM   1889 C CA  . THR   A 1 240 ? 2.123   -32.703 11.395 1.000 24.332 ? 313 THR   AaA CA  1 ? 
ATOM   1890 C C   . THR   A 1 240 ? 2.094   -32.851 9.875  1.000 26.786 ? 313 THR   AaA C   1 ? 
ATOM   1891 O O   . THR   A 1 240 ? 2.887   -33.650 9.334  1.000 28.377 ? 313 THR   AaA O   1 ? 
ATOM   1892 C CB  . THR   A 1 240 ? 3.325   -31.836 11.776 1.000 27.264 ? 313 THR   AaA CB  1 ? 
ATOM   1893 O OG1 . THR   A 1 240 ? 3.478   -31.832 13.194 1.000 29.375 ? 313 THR   AaA OG1 1 ? 
ATOM   1894 C CG2 . THR   A 1 240 ? 3.188   -30.428 11.244 1.000 29.295 ? 313 THR   AaA CG2 1 ? 
ATOM   1895 N N   . THR   A 1 241 ? 1.210   -32.115 9.199  1.000 26.050 ? 314 THR   AaA N   1 ? 
ATOM   1896 C CA  . THR   A 1 241 ? 1.099   -32.110 7.715  1.000 29.178 ? 314 THR   AaA CA  1 ? 
ATOM   1897 C C   . THR   A 1 241 ? 1.521   -30.748 7.131  1.000 31.408 ? 314 THR   AaA C   1 ? 
ATOM   1898 O O   . THR   A 1 241 ? 1.745   -30.691 5.901  1.000 37.618 ? 314 THR   AaA O   1 ? 
ATOM   1899 C CB  . THR   A 1 241 ? -0.299  -32.544 7.265  1.000 30.016 ? 314 THR   AaA CB  1 ? 
ATOM   1900 O OG1 . THR   A 1 241 ? -1.260  -31.610 7.761  1.000 31.630 ? 314 THR   AaA OG1 1 ? 
ATOM   1901 C CG2 . THR   A 1 241 ? -0.626  -33.947 7.726  1.000 29.380 ? 314 THR   AaA CG2 1 ? 
ATOM   1902 N N   . SER   A 1 242 ? 1.634   -29.693 7.938  1.000 33.359 ? 315 SER   AaA N   1 ? 
ATOM   1903 C CA  . SER   A 1 242 ? 2.170   -28.376 7.490  1.000 39.198 ? 315 SER   AaA CA  1 ? 
ATOM   1904 C C   . SER   A 1 242 ? 3.709   -28.409 7.529  1.000 43.013 ? 315 SER   AaA C   1 ? 
ATOM   1905 O O   . SER   A 1 242 ? 4.317   -27.454 6.985  1.000 49.305 ? 315 SER   AaA O   1 ? 
ATOM   1906 C CB  . SER   A 1 242 ? 1.614   -27.242 8.314  1.000 37.835 ? 315 SER   AaA CB  1 ? 
ATOM   1907 O OG  . SER   A 1 242 ? 1.710   -27.534 9.687  1.000 33.277 ? 315 SER   AaA OG  1 ? 
ATOM   1908 N N   . ASP   A 1 260 ? 0.299   -20.995 10.182 1.000 42.649 ? 333 ASP   AaA N   1 ? 
ATOM   1909 C CA  . ASP   A 1 260 ? -0.663  -21.997 10.717 1.000 41.421 ? 333 ASP   AaA CA  1 ? 
ATOM   1910 C C   . ASP   A 1 260 ? 0.052   -23.334 10.919 1.000 40.329 ? 333 ASP   AaA C   1 ? 
ATOM   1911 O O   . ASP   A 1 260 ? 1.115   -23.562 10.303 1.000 43.938 ? 333 ASP   AaA O   1 ? 
ATOM   1912 C CB  . ASP   A 1 260 ? -1.865  -22.208 9.791  1.000 42.770 ? 333 ASP   AaA CB  1 ? 
ATOM   1913 C CG  . ASP   A 1 260 ? -2.877  -21.074 9.787  1.000 44.087 ? 333 ASP   AaA CG  1 ? 
ATOM   1914 O OD1 . ASP   A 1 260 ? -2.839  -20.240 10.717 1.000 44.673 ? 333 ASP   AaA OD1 1 ? 
ATOM   1915 O OD2 . ASP   A 1 260 ? -3.701  -21.034 8.850  1.000 47.493 ? 333 ASP   AaA OD2 1 ? 
ATOM   1916 N N   . SER   A 1 261 ? -0.517  -24.170 11.777 1.000 32.029 ? 334 SER   AaA N   1 ? 
ATOM   1917 C CA  . SER   A 1 261 ? -0.099  -25.571 11.996 1.000 30.499 ? 334 SER   AaA CA  1 ? 
ATOM   1918 C C   . SER   A 1 261 ? -1.254  -26.469 11.571 1.000 27.917 ? 334 SER   AaA C   1 ? 
ATOM   1919 O O   . SER   A 1 261 ? -2.412  -26.150 11.880 1.000 26.732 ? 334 SER   AaA O   1 ? 
ATOM   1920 C CB  . SER   A 1 261 ? 0.292   -25.809 13.414 1.000 32.991 ? 334 SER   AaA CB  1 ? 
ATOM   1921 O OG  . SER   A 1 261 ? 1.539   -25.187 13.683 1.000 36.794 ? 334 SER   AaA OG  1 ? 
ATOM   1922 N N   . GLN   A 1 262 ? -0.944  -27.575 10.922 1.000 25.225 ? 335 GLN   AaA N   1 ? 
ATOM   1923 C CA  . GLN   A 1 262 ? -1.959  -28.518 10.405 1.000 25.762 ? 335 GLN   AaA CA  1 ? 
ATOM   1924 C C   . GLN   A 1 262 ? -1.561  -29.920 10.818 1.000 24.534 ? 335 GLN   AaA C   1 ? 
ATOM   1925 O O   . GLN   A 1 262 ? -0.383  -30.250 10.719 1.000 23.811 ? 335 GLN   AaA O   1 ? 
ATOM   1926 C CB  . GLN   A 1 262 ? -2.018  -28.363 8.897  1.000 32.737 ? 335 GLN   AaA CB  1 ? 
ATOM   1927 C CG  . GLN   A 1 262 ? -3.397  -28.593 8.326  1.000 38.415 ? 335 GLN   AaA CG  1 ? 
ATOM   1928 C CD  . GLN   A 1 262 ? -3.579  -27.882 7.006  1.000 41.539 ? 335 GLN   AaA CD  1 ? 
ATOM   1929 O OE1 . GLN   A 1 262 ? -4.566  -28.100 6.318  1.000 44.671 ? 335 GLN   AaA OE1 1 ? 
ATOM   1930 N NE2 . GLN   A 1 262 ? -2.627  -27.039 6.632  1.000 45.614 ? 335 GLN   AaA NE2 1 ? 
ATOM   1931 N N   . PHE   A 1 263 ? -2.515  -30.739 11.247 1.000 21.176 ? 336 PHE   AaA N   1 ? 
ATOM   1932 C CA  . PHE   A 1 263 ? -2.239  -32.119 11.703 1.000 20.052 ? 336 PHE   AaA CA  1 ? 
ATOM   1933 C C   . PHE   A 1 263 ? -3.199  -33.087 11.065 1.000 20.090 ? 336 PHE   AaA C   1 ? 
ATOM   1934 O O   . PHE   A 1 263 ? -4.357  -32.697 10.731 1.000 19.738 ? 336 PHE   AaA O   1 ? 
ATOM   1935 C CB  . PHE   A 1 263 ? -2.318  -32.265 13.226 1.000 20.372 ? 336 PHE   AaA CB  1 ? 
ATOM   1936 C CG  . PHE   A 1 263 ? -1.424  -31.308 13.963 1.000 21.763 ? 336 PHE   AaA CG  1 ? 
ATOM   1937 C CD1 . PHE   A 1 263 ? -0.110  -31.645 14.258 1.000 23.907 ? 336 PHE   AaA CD1 1 ? 
ATOM   1938 C CD2 . PHE   A 1 263 ? -1.868  -30.046 14.290 1.000 23.209 ? 336 PHE   AaA CD2 1 ? 
ATOM   1939 C CE1 . PHE   A 1 263 ? 0.722   -30.736 14.895 1.000 25.038 ? 336 PHE   AaA CE1 1 ? 
ATOM   1940 C CE2 . PHE   A 1 263 ? -1.047  -29.137 14.934 1.000 24.893 ? 336 PHE   AaA CE2 1 ? 
ATOM   1941 C CZ  . PHE   A 1 263 ? 0.249   -29.487 15.243 1.000 25.258 ? 336 PHE   AaA CZ  1 ? 
ATOM   1942 N N   . LEU   A 1 264 ? -2.717  -34.320 10.942 1.000 19.502 ? 337 LEU   AaA N   1 ? 
ATOM   1943 C CA  . LEU   A 1 264 ? -3.518  -35.513 10.619 1.000 18.297 ? 337 LEU   AaA CA  1 ? 
ATOM   1944 C C   . LEU   A 1 264 ? -3.645  -36.348 11.886 1.000 19.314 ? 337 LEU   AaA C   1 ? 
ATOM   1945 O O   . LEU   A 1 264 ? -2.641  -36.514 12.634 1.000 20.085 ? 337 LEU   AaA O   1 ? 
ATOM   1946 C CB  . LEU   A 1 264 ? -2.837  -36.273 9.488  1.000 20.037 ? 337 LEU   AaA CB  1 ? 
ATOM   1947 C CG  . LEU   A 1 264 ? -3.571  -37.515 9.013  1.000 20.142 ? 337 LEU   AaA CG  1 ? 
ATOM   1948 C CD1 . LEU   A 1 264 ? -4.933  -37.170 8.428  1.000 20.215 ? 337 LEU   AaA CD1 1 ? 
ATOM   1949 C CD2 . LEU   A 1 264 ? -2.744  -38.287 7.990  1.000 21.234 ? 337 LEU   AaA CD2 1 ? 
ATOM   1950 N N   . HIS   A 1 265 ? -4.819  -36.935 12.095 1.000 18.333 ? 338 HIS   AaA N   1 ? 
ATOM   1951 C CA  . HIS   A 1 265 ? -5.155  -37.648 13.347 1.000 18.307 ? 338 HIS   AaA CA  1 ? 
ATOM   1952 C C   . HIS   A 1 265 ? -5.746  -39.010 13.019 1.000 17.622 ? 338 HIS   AaA C   1 ? 
ATOM   1953 O O   . HIS   A 1 265 ? -6.516  -39.147 12.055 1.000 17.880 ? 338 HIS   AaA O   1 ? 
ATOM   1954 C CB  . HIS   A 1 265 ? -6.159  -36.846 14.170 1.000 17.812 ? 338 HIS   AaA CB  1 ? 
ATOM   1955 C CG  . HIS   A 1 265 ? -5.720  -35.468 14.499 1.000 17.790 ? 338 HIS   AaA CG  1 ? 
ATOM   1956 N ND1 . HIS   A 1 265 ? -4.640  -35.215 15.326 1.000 19.131 ? 338 HIS   AaA ND1 1 ? 
ATOM   1957 C CD2 . HIS   A 1 265 ? -6.153  -34.264 14.069 1.000 19.843 ? 338 HIS   AaA CD2 1 ? 
ATOM   1958 C CE1 . HIS   A 1 265 ? -4.482  -33.900 15.432 1.000 19.142 ? 338 HIS   AaA CE1 1 ? 
ATOM   1959 N NE2 . HIS   A 1 265 ? -5.392  -33.308 14.665 1.000 19.924 ? 338 HIS   AaA NE2 1 ? 
ATOM   1960 N N   . LEU   A 1 266 ? -5.455  -39.967 13.888 1.000 18.511 ? 339 LEU   AaA N   1 ? 
ATOM   1961 C CA  . LEU   A 1 266 ? -6.061  -41.309 13.816 1.000 20.173 ? 339 LEU   AaA CA  1 ? 
ATOM   1962 C C   . LEU   A 1 266 ? -6.286  -41.782 15.254 1.000 20.066 ? 339 LEU   AaA C   1 ? 
ATOM   1963 O O   . LEU   A 1 266 ? -5.346  -41.699 16.063 1.000 22.159 ? 339 LEU   AaA O   1 ? 
ATOM   1964 C CB  . LEU   A 1 266 ? -5.144  -42.249 13.012 1.000 21.031 ? 339 LEU   AaA CB  1 ? 
ATOM   1965 C CG  . LEU   A 1 266 ? -5.608  -43.700 12.861 1.000 23.933 ? 339 LEU   AaA CG  1 ? 
ATOM   1966 C CD1 . LEU   A 1 266 ? -6.856  -43.766 12.020 1.000 24.806 ? 339 LEU   AaA CD1 1 ? 
ATOM   1967 C CD2 . LEU   A 1 266 ? -4.509  -44.567 12.229 1.000 24.870 ? 339 LEU   AaA CD2 1 ? 
ATOM   1968 N N   . LEU   A 1 267 ? -7.530  -42.172 15.575 1.000 20.959 ? 340 LEU   AaA N   1 ? 
ATOM   1969 C CA  . LEU   A 1 267 ? -7.832  -42.918 16.817 1.000 22.251 ? 340 LEU   AaA CA  1 ? 
ATOM   1970 C C   . LEU   A 1 267 ? -8.026  -44.381 16.430 1.000 21.452 ? 340 LEU   AaA C   1 ? 
ATOM   1971 O O   . LEU   A 1 267 ? -8.773  -44.673 15.515 1.000 23.245 ? 340 LEU   AaA O   1 ? 
ATOM   1972 C CB  . LEU   A 1 267 ? -9.091  -42.385 17.523 1.000 24.309 ? 340 LEU   AaA CB  1 ? 
ATOM   1973 C CG  . LEU   A 1 267 ? -9.050  -40.967 18.113 1.000 24.854 ? 340 LEU   AaA CG  1 ? 
ATOM   1974 C CD1 . LEU   A 1 267 ? -10.209 -40.801 19.090 1.000 25.810 ? 340 LEU   AaA CD1 1 ? 
ATOM   1975 C CD2 . LEU   A 1 267 ? -7.752  -40.582 18.821 1.000 28.575 ? 340 LEU   AaA CD2 1 ? 
ATOM   1976 N N   . ARG   A 1 268 ? -7.287  -45.262 17.095 1.000 22.791 ? 341 ARG   AaA N   1 ? 
ATOM   1977 C CA  . ARG   A 1 268 ? -7.513  -46.715 16.877 1.000 26.590 ? 341 ARG   AaA CA  1 ? 
ATOM   1978 C C   . ARG   A 1 268 ? -7.469  -47.455 18.213 1.000 25.209 ? 341 ARG   AaA C   1 ? 
ATOM   1979 O O   . ARG   A 1 268 ? -6.828  -47.001 19.180 1.000 27.096 ? 341 ARG   AaA O   1 ? 
ATOM   1980 C CB  . ARG   A 1 268 ? -6.531  -47.269 15.843 1.000 30.980 ? 341 ARG   AaA CB  1 ? 
ATOM   1981 C CG  . ARG   A 1 268 ? -5.078  -47.129 16.235 1.000 31.814 ? 341 ARG   AaA CG  1 ? 
ATOM   1982 C CD  . ARG   A 1 268 ? -4.199  -47.872 15.239 1.000 34.889 ? 341 ARG   AaA CD  1 ? 
ATOM   1983 N NE  . ARG   A 1 268 ? -2.923  -48.047 15.913 1.000 37.574 ? 341 ARG   AaA NE  1 ? 
ATOM   1984 C CZ  . ARG   A 1 268 ? -1.726  -48.014 15.342 1.000 39.617 ? 341 ARG   AaA CZ  1 ? 
ATOM   1985 N NH1 . ARG   A 1 268 ? -1.577  -47.806 14.042 1.000 37.172 ? 341 ARG   AaA NH1 1 ? 
ATOM   1986 N NH2 . ARG   A 1 268 ? -0.674  -48.179 16.116 1.000 39.270 ? 341 ARG   AaA NH2 1 ? 
ATOM   1987 N N   . LEU   A 1 269 ? -8.147  -48.590 18.228 1.000 27.849 ? 342 LEU   AaA N   1 ? 
ATOM   1988 C CA  . LEU   A 1 269 ? -8.175  -49.472 19.414 1.000 31.230 ? 342 LEU   AaA CA  1 ? 
ATOM   1989 C C   . LEU   A 1 269 ? -6.738  -49.903 19.726 1.000 28.147 ? 342 LEU   AaA C   1 ? 
ATOM   1990 O O   . LEU   A 1 269 ? -5.896  -50.005 18.780 1.000 28.940 ? 342 LEU   AaA O   1 ? 
ATOM   1991 C CB  . LEU   A 1 269 ? -9.094  -50.659 19.137 1.000 34.418 ? 342 LEU   AaA CB  1 ? 
ATOM   1992 C CG  . LEU   A 1 269 ? -10.582 -50.336 18.993 1.000 40.144 ? 342 LEU   AaA CG  1 ? 
ATOM   1993 C CD1 . LEU   A 1 269 ? -11.346 -51.541 18.463 1.000 40.673 ? 342 LEU   AaA CD1 1 ? 
ATOM   1994 C CD2 . LEU   A 1 269 ? -11.170 -49.876 20.318 1.000 41.017 ? 342 LEU   AaA CD2 1 ? 
ATOM   1995 N N   . SER   A 1 270 ? -6.455  -50.036 21.015 1.000 30.212 ? 343 SER   AaA N   1 ? 
ATOM   1996 C CA  . SER   A 1 270 ? -5.186  -50.547 21.578 1.000 29.521 ? 343 SER   AaA CA  1 ? 
ATOM   1997 C C   . SER   A 1 270 ? -4.791  -51.843 20.858 1.000 28.695 ? 343 SER   AaA C   1 ? 
ATOM   1998 O O   . SER   A 1 270 ? -5.669  -52.549 20.338 1.000 31.839 ? 343 SER   AaA O   1 ? 
ATOM   1999 C CB  . SER   A 1 270 ? -5.298  -50.790 23.051 1.000 31.929 ? 343 SER   AaA CB  1 ? 
ATOM   2000 O OG  . SER   A 1 270 ? -4.020  -50.875 23.654 1.000 31.567 ? 343 SER   AaA OG  1 ? 
ATOM   2001 N N   . GLY   A 1 271 ? -3.490  -52.068 20.770 1.000 27.933 ? 344 GLY   AaA N   1 ? 
ATOM   2002 C CA  . GLY   A 1 271 ? -2.951  -53.329 20.221 1.000 28.510 ? 344 GLY   AaA CA  1 ? 
ATOM   2003 C C   . GLY   A 1 271 ? -2.950  -53.306 18.704 1.000 28.437 ? 344 GLY   AaA C   1 ? 
ATOM   2004 O O   . GLY   A 1 271 ? -3.110  -54.366 18.090 1.000 29.603 ? 344 GLY   AaA O   1 ? 
ATOM   2005 N N   . ASP   A 1 272 ? -2.834  -52.124 18.104 1.000 28.351 ? 345 ASP   AaA N   1 ? 
ATOM   2006 C CA  . ASP   A 1 272 ? -2.856  -51.969 16.626 1.000 27.236 ? 345 ASP   AaA CA  1 ? 
ATOM   2007 C C   . ASP   A 1 272 ? -4.190  -52.512 16.105 1.000 28.954 ? 345 ASP   AaA C   1 ? 
ATOM   2008 O O   . ASP   A 1 272 ? -4.222  -53.236 15.089 1.000 28.328 ? 345 ASP   AaA O   1 ? 
ATOM   2009 C CB  . ASP   A 1 272 ? -1.638  -52.646 15.982 1.000 27.854 ? 345 ASP   AaA CB  1 ? 
ATOM   2010 C CG  . ASP   A 1 272 ? -1.512  -52.317 14.509 1.000 29.094 ? 345 ASP   AaA CG  1 ? 
ATOM   2011 O OD1 . ASP   A 1 272 ? -1.789  -51.152 14.153 1.000 30.688 ? 345 ASP   AaA OD1 1 ? 
ATOM   2012 O OD2 . ASP   A 1 272 ? -1.159  -53.228 13.725 1.000 31.304 ? 345 ASP   AaA OD2 1 ? 
ATOM   2013 N N   . GLY   A 1 273 ? -5.268  -52.169 16.820 1.000 29.966 ? 346 GLY   AaA N   1 ? 
ATOM   2014 C CA  . GLY   A 1 273 ? -6.629  -52.632 16.514 1.000 29.849 ? 346 GLY   AaA CA  1 ? 
ATOM   2015 C C   . GLY   A 1 273 ? -7.322  -51.717 15.530 1.000 30.143 ? 346 GLY   AaA C   1 ? 
ATOM   2016 O O   . GLY   A 1 273 ? -6.656  -50.913 14.831 1.000 29.048 ? 346 GLY   AaA O   1 ? 
ATOM   2017 N N   . GLN   A 1 274 ? -8.643  -51.820 15.477 1.000 30.768 ? 347 GLN   AaA N   1 ? 
ATOM   2018 C CA  . GLN   A 1 274 ? -9.462  -51.181 14.423 1.000 32.839 ? 347 GLN   AaA CA  1 ? 
ATOM   2019 C C   . GLN   A 1 274 ? -9.465  -49.658 14.595 1.000 24.007 ? 347 GLN   AaA C   1 ? 
ATOM   2020 O O   . GLN   A 1 274 ? -9.415  -49.190 15.749 1.000 28.533 ? 347 GLN   AaA O   1 ? 
ATOM   2021 C CB  . GLN   A 1 274 ? -10.897 -51.690 14.507 1.000 36.767 ? 347 GLN   AaA CB  1 ? 
ATOM   2022 C CG  . GLN   A 1 274 ? -10.998 -53.205 14.422 1.000 42.874 ? 347 GLN   AaA CG  1 ? 
ATOM   2023 C CD  . GLN   A 1 274 ? -11.451 -53.648 13.054 1.000 47.525 ? 347 GLN   AaA CD  1 ? 
ATOM   2024 O OE1 . GLN   A 1 274 ? -10.845 -53.317 12.036 1.000 50.029 ? 347 GLN   AaA OE1 1 ? 
ATOM   2025 N NE2 . GLN   A 1 274 ? -12.543 -54.394 13.032 1.000 47.494 ? 347 GLN   AaA NE2 1 ? 
ATOM   2026 N N   . GLU   A 1 275 ? -9.485  -48.968 13.468 1.000 27.230 ? 348 GLU   AaA N   1 ? 
ATOM   2027 C CA  . GLU   A 1 275 ? -9.671  -47.496 13.401 1.000 26.338 ? 348 GLU   AaA CA  1 ? 
ATOM   2028 C C   . GLU   A 1 275 ? -11.039 -47.133 13.987 1.000 29.770 ? 348 GLU   AaA C   1 ? 
ATOM   2029 O O   . GLU   A 1 275 ? -12.029 -47.764 13.573 1.000 32.353 ? 348 GLU   AaA O   1 ? 
ATOM   2030 C CB  . GLU   A 1 275 ? -9.615  -47.023 11.952 1.000 26.860 ? 348 GLU   AaA CB  1 ? 
ATOM   2031 C CG  . GLU   A 1 275 ? -10.018 -45.554 11.744 1.000 28.121 ? 348 GLU   AaA CG  1 ? 
ATOM   2032 C CD  . GLU   A 1 275 ? -9.829  -45.049 10.323 1.000 29.816 ? 348 GLU   AaA CD  1 ? 
ATOM   2033 O OE1 . GLU   A 1 275 ? -10.290 -43.918 10.020 1.000 32.489 ? 348 GLU   AaA OE1 1 ? 
ATOM   2034 O OE2 . GLU   A 1 275 ? -9.218  -45.770 9.492  1.000 31.760 ? 348 GLU   AaA OE2 1 ? 
ATOM   2035 N N   . ILE   A 1 276 ? -11.083 -46.145 14.875 1.000 29.637 ? 349 ILE   AaA N   1 ? 
ATOM   2036 C CA  A ILE   A 1 276 ? -12.337 -45.556 15.448 0.500 31.174 ? 349 ILE   AaA CA  1 ? 
ATOM   2037 C CA  B ILE   A 1 276 ? -12.404 -45.621 15.339 0.500 29.942 ? 349 ILE   AaA CA  1 ? 
ATOM   2038 C C   . ILE   A 1 276 ? -12.672 -44.252 14.702 1.000 32.132 ? 349 ILE   AaA C   1 ? 
ATOM   2039 O O   . ILE   A 1 276 ? -13.823 -44.092 14.236 1.000 33.898 ? 349 ILE   AaA O   1 ? 
ATOM   2040 C CB  A ILE   A 1 276 ? -12.147 -45.363 16.966 0.500 32.384 ? 349 ILE   AaA CB  1 ? 
ATOM   2041 C CB  B ILE   A 1 276 ? -12.561 -45.654 16.869 0.500 29.588 ? 349 ILE   AaA CB  1 ? 
ATOM   2042 C CG1 A ILE   A 1 276 ? -12.018 -46.728 17.639 0.500 33.037 ? 349 ILE   AaA CG1 1 ? 
ATOM   2043 C CG1 B ILE   A 1 276 ? -11.465 -44.904 17.627 0.500 26.594 ? 349 ILE   AaA CG1 1 ? 
ATOM   2044 C CG2 A ILE   A 1 276 ? -13.283 -44.576 17.599 0.500 32.482 ? 349 ILE   AaA CG2 1 ? 
ATOM   2045 C CG2 B ILE   A 1 276 ? -12.666 -47.094 17.346 0.500 28.129 ? 349 ILE   AaA CG2 1 ? 
ATOM   2046 C CD1 A ILE   A 1 276 ? -13.044 -47.705 17.113 0.500 34.284 ? 349 ILE   AaA CD1 1 ? 
ATOM   2047 C CD1 B ILE   A 1 276 ? -11.877 -44.472 19.014 0.500 28.918 ? 349 ILE   AaA CD1 1 ? 
ATOM   2048 N N   . ASN   A 1 277 ? -11.667 -43.369 14.572 1.000 27.364 ? 350 ASN   AaA N   1 ? 
ATOM   2049 C CA  . ASN   A 1 277 ? -11.814 -41.983 14.035 1.000 28.844 ? 350 ASN   AaA CA  1 ? 
ATOM   2050 C C   . ASN   A 1 277 ? -10.579 -41.644 13.208 1.000 24.045 ? 350 ASN   AaA C   1 ? 
ATOM   2051 O O   . ASN   A 1 277 ? -9.461  -42.081 13.588 1.000 24.962 ? 350 ASN   AaA O   1 ? 
ATOM   2052 C CB  . ASN   A 1 277 ? -11.872 -40.859 15.102 1.000 28.051 ? 350 ASN   AaA CB  1 ? 
ATOM   2053 C CG  . ASN   A 1 277 ? -13.088 -40.860 16.001 1.000 31.866 ? 350 ASN   AaA CG  1 ? 
ATOM   2054 O OD1 . ASN   A 1 277 ? -14.088 -40.195 15.709 1.000 33.845 ? 350 ASN   AaA OD1 1 ? 
ATOM   2055 N ND2 . ASN   A 1 277 ? -13.031 -41.594 17.099 1.000 32.011 ? 350 ASN   AaA ND2 1 ? 
ATOM   2056 N N   . ARG   A 1 278 ? -10.734 -40.817 12.189 1.000 21.448 ? 351 ARG   AaA N   1 ? 
ATOM   2057 C CA  . ARG   A 1 278 ? -9.616  -40.073 11.588 1.000 22.320 ? 351 ARG   AaA CA  1 ? 
ATOM   2058 C C   . ARG   A 1 278 ? -10.039 -38.618 11.455 1.000 21.955 ? 351 ARG   AaA C   1 ? 
ATOM   2059 O O   . ARG   A 1 278 ? -11.261 -38.301 11.353 1.000 21.692 ? 351 ARG   AaA O   1 ? 
ATOM   2060 C CB  . ARG   A 1 278 ? -9.174  -40.593 10.226 1.000 22.525 ? 351 ARG   AaA CB  1 ? 
ATOM   2061 C CG  . ARG   A 1 278 ? -10.223 -40.526 9.129  1.000 27.088 ? 351 ARG   AaA CG  1 ? 
ATOM   2062 C CD  . ARG   A 1 278 ? -9.674  -41.066 7.820  1.000 27.083 ? 351 ARG   AaA CD  1 ? 
ATOM   2063 N NE  . ARG   A 1 278 ? -9.484  -42.512 7.846  1.000 27.504 ? 351 ARG   AaA NE  1 ? 
ATOM   2064 C CZ  . ARG   A 1 278 ? -9.086  -43.248 6.806  1.000 28.976 ? 351 ARG   AaA CZ  1 ? 
ATOM   2065 N NH1 . ARG   A 1 278 ? -8.829  -42.694 5.638  1.000 31.839 ? 351 ARG   AaA NH1 1 ? 
ATOM   2066 N NH2 . ARG   A 1 278 ? -8.922  -44.552 6.958  1.000 31.839 ? 351 ARG   AaA NH2 1 ? 
ATOM   2067 N N   . GLY   A 1 279 ? -9.063  -37.744 11.439 1.000 18.721 ? 352 GLY   AaA N   1 ? 
ATOM   2068 C CA  . GLY   A 1 279 ? -9.405  -36.319 11.384 1.000 18.391 ? 352 GLY   AaA CA  1 ? 
ATOM   2069 C C   . GLY   A 1 279 ? -8.274  -35.424 10.988 1.000 18.620 ? 352 GLY   AaA C   1 ? 
ATOM   2070 O O   . GLY   A 1 279 ? -7.138  -35.898 10.846 1.000 19.301 ? 352 GLY   AaA O   1 ? 
ATOM   2071 N N   . THR   A 1 280 ? -8.570  -34.145 10.862 1.000 17.852 ? 353 THR   AaA N   1 ? 
ATOM   2072 C CA  . THR   A 1 280 ? -7.568  -33.091 10.639 1.000 19.353 ? 353 THR   AaA CA  1 ? 
ATOM   2073 C C   . THR   A 1 280 ? -7.867  -31.928 11.564 1.000 18.283 ? 353 THR   AaA C   1 ? 
ATOM   2074 O O   . THR   A 1 280 ? -9.031  -31.715 11.918 1.000 19.010 ? 353 THR   AaA O   1 ? 
ATOM   2075 C CB  . THR   A 1 280 ? -7.501  -32.645 9.180  1.000 19.477 ? 353 THR   AaA CB  1 ? 
ATOM   2076 O OG1 . THR   A 1 280 ? -8.770  -32.084 8.825  1.000 21.835 ? 353 THR   AaA OG1 1 ? 
ATOM   2077 C CG2 . THR   A 1 280 ? -7.140  -33.788 8.267  1.000 21.586 ? 353 THR   AaA CG2 1 ? 
ATOM   2078 N N   . THR   A 1 281 ? -6.838  -31.184 11.931 1.000 18.646 ? 354 THR   AaA N   1 ? 
ATOM   2079 C CA  . THR   A 1 281 ? -6.984  -29.918 12.651 1.000 18.062 ? 354 THR   AaA CA  1 ? 
ATOM   2080 C C   . THR   A 1 281 ? -6.094  -28.873 12.011 1.000 19.028 ? 354 THR   AaA C   1 ? 
ATOM   2081 O O   . THR   A 1 281 ? -4.983  -29.222 11.506 1.000 21.552 ? 354 THR   AaA O   1 ? 
ATOM   2082 C CB  . THR   A 1 281 ? -6.726  -30.041 14.156 1.000 18.225 ? 354 THR   AaA CB  1 ? 
ATOM   2083 O OG1 . THR   A 1 281 ? -5.396  -30.538 14.414 1.000 18.396 ? 354 THR   AaA OG1 1 ? 
ATOM   2084 C CG2 . THR   A 1 281 ? -7.758  -30.907 14.847 1.000 19.660 ? 354 THR   AaA CG2 1 ? 
ATOM   2085 N N   . LEU   A 1 282 ? -6.574  -27.648 12.090 1.000 18.808 ? 355 LEU   AaA N   1 ? 
ATOM   2086 C CA  . LEU   A 1 282 ? -5.862  -26.428 11.651 1.000 20.178 ? 355 LEU   AaA CA  1 ? 
ATOM   2087 C C   . LEU   A 1 282 ? -5.798  -25.459 12.818 1.000 21.131 ? 355 LEU   AaA C   1 ? 
ATOM   2088 O O   . LEU   A 1 282 ? -6.844  -25.163 13.445 1.000 19.881 ? 355 LEU   AaA O   1 ? 
ATOM   2089 C CB  . LEU   A 1 282 ? -6.587  -25.787 10.470 1.000 22.658 ? 355 LEU   AaA CB  1 ? 
ATOM   2090 C CG  . LEU   A 1 282 ? -5.904  -24.541 9.897  1.000 28.546 ? 355 LEU   AaA CG  1 ? 
ATOM   2091 C CD1 . LEU   A 1 282 ? -4.487  -24.836 9.436  1.000 32.991 ? 355 LEU   AaA CD1 1 ? 
ATOM   2092 C CD2 . LEU   A 1 282 ? -6.705  -23.981 8.735  1.000 31.940 ? 355 LEU   AaA CD2 1 ? 
ATOM   2093 N N   . TRP   A 1 283 ? -4.585  -25.016 13.130 1.000 21.131 ? 356 TRP   AaA N   1 ? 
ATOM   2094 C CA  . TRP   A 1 283 ? -4.298  -24.165 14.301 1.000 23.164 ? 356 TRP   AaA CA  1 ? 
ATOM   2095 C C   . TRP   A 1 283 ? -3.688  -22.832 13.859 1.000 23.312 ? 356 TRP   AaA C   1 ? 
ATOM   2096 O O   . TRP   A 1 283 ? -2.756  -22.859 13.028 1.000 25.763 ? 356 TRP   AaA O   1 ? 
ATOM   2097 C CB  . TRP   A 1 283 ? -3.351  -24.920 15.225 1.000 22.608 ? 356 TRP   AaA CB  1 ? 
ATOM   2098 C CG  . TRP   A 1 283 ? -3.918  -26.183 15.798 1.000 20.751 ? 356 TRP   AaA CG  1 ? 
ATOM   2099 C CD1 . TRP   A 1 283 ? -4.108  -27.374 15.155 1.000 21.370 ? 356 TRP   AaA CD1 1 ? 
ATOM   2100 C CD2 . TRP   A 1 283 ? -4.328  -26.379 17.155 1.000 21.007 ? 356 TRP   AaA CD2 1 ? 
ATOM   2101 N NE1 . TRP   A 1 283 ? -4.612  -28.300 16.019 1.000 21.084 ? 356 TRP   AaA NE1 1 ? 
ATOM   2102 C CE2 . TRP   A 1 283 ? -4.742  -27.725 17.262 1.000 20.238 ? 356 TRP   AaA CE2 1 ? 
ATOM   2103 C CE3 . TRP   A 1 283 ? -4.349  -25.569 18.292 1.000 21.507 ? 356 TRP   AaA CE3 1 ? 
ATOM   2104 C CZ2 . TRP   A 1 283 ? -5.219  -28.255 18.456 1.000 21.394 ? 356 TRP   AaA CZ2 1 ? 
ATOM   2105 C CZ3 . TRP   A 1 283 ? -4.798  -26.100 19.477 1.000 22.776 ? 356 TRP   AaA CZ3 1 ? 
ATOM   2106 C CH2 . TRP   A 1 283 ? -5.218  -27.431 19.555 1.000 23.489 ? 356 TRP   AaA CH2 1 ? 
ATOM   2107 N N   . ARG   A 1 284 ? -4.160  -21.737 14.453 1.000 27.225 ? 357 ARG   AaA N   1 ? 
ATOM   2108 C CA  . ARG   A 1 284 ? -3.689  -20.337 14.251 1.000 31.288 ? 357 ARG   AaA CA  1 ? 
ATOM   2109 C C   . ARG   A 1 284 ? -2.807  -19.972 15.450 1.000 30.338 ? 357 ARG   AaA C   1 ? 
ATOM   2110 O O   . ARG   A 1 284 ? -3.125  -20.404 16.559 1.000 29.820 ? 357 ARG   AaA O   1 ? 
ATOM   2111 C CB  . ARG   A 1 284 ? -4.891  -19.382 14.070 1.000 33.732 ? 357 ARG   AaA CB  1 ? 
ATOM   2112 C CG  . ARG   A 1 284 ? -5.852  -19.247 15.259 1.000 36.737 ? 357 ARG   AaA CG  1 ? 
ATOM   2113 C CD  . ARG   A 1 284 ? -7.143  -18.414 15.085 1.000 35.548 ? 357 ARG   AaA CD  1 ? 
ATOM   2114 N NE  . ARG   A 1 284 ? -7.835  -18.131 16.354 1.000 35.467 ? 357 ARG   AaA NE  1 ? 
ATOM   2115 C CZ  . ARG   A 1 284 ? -8.935  -18.715 16.866 1.000 41.020 ? 357 ARG   AaA CZ  1 ? 
ATOM   2116 N NH1 . ARG   A 1 284 ? -9.363  -18.315 18.057 1.000 41.569 ? 357 ARG   AaA NH1 1 ? 
ATOM   2117 N NH2 . ARG   A 1 284 ? -9.603  -19.676 16.239 1.000 35.070 ? 357 ARG   AaA NH2 1 ? 
ATOM   2118 N N   . LYS   A 1 285 ? -1.732  -19.202 15.242 1.000 35.665 ? 358 LYS   AaA N   1 ? 
ATOM   2119 C CA  . LYS   A 1 285 ? -0.913  -18.650 16.360 1.000 39.181 ? 358 LYS   AaA CA  1 ? 
ATOM   2120 C C   . LYS   A 1 285 ? -1.780  -17.692 17.183 1.000 42.183 ? 358 LYS   AaA C   1 ? 
ATOM   2121 O O   . LYS   A 1 285 ? -2.640  -17.015 16.583 1.000 44.216 ? 358 LYS   AaA O   1 ? 
ATOM   2122 C CB  . LYS   A 1 285 ? 0.335   -17.937 15.826 1.000 43.138 ? 358 LYS   AaA CB  1 ? 
ATOM   2123 C CG  . LYS   A 1 285 ? 1.467   -18.851 15.370 1.000 47.545 ? 358 LYS   AaA CG  1 ? 
ATOM   2124 C CD  . LYS   A 1 285 ? 2.512   -18.147 14.504 1.000 51.983 ? 358 LYS   AaA CD  1 ? 
ATOM   2125 C CE  . LYS   A 1 285 ? 3.479   -19.101 13.830 1.000 53.458 ? 358 LYS   AaA CE  1 ? 
ATOM   2126 N NZ  . LYS   A 1 285 ? 3.628   -18.803 12.386 1.000 55.131 ? 358 LYS   AaA NZ  1 ? 
ATOM   2127 N N   . LYS   A 1 286 ? -1.572  -17.644 18.502 1.000 44.790 ? 359 LYS   AaA N   1 ? 
ATOM   2128 C CA  . LYS   A 1 286 ? -2.298  -16.732 19.432 1.000 47.674 ? 359 LYS   AaA CA  1 ? 
ATOM   2129 C C   . LYS   A 1 286 ? -1.925  -15.276 19.127 1.000 52.206 ? 359 LYS   AaA C   1 ? 
ATOM   2130 O O   . LYS   A 1 286 ? -0.771  -14.962 18.825 1.000 56.718 ? 359 LYS   AaA O   1 ? 
ATOM   2131 C CB  . LYS   A 1 286 ? -1.989  -17.084 20.891 1.000 48.699 ? 359 LYS   AaA CB  1 ? 
ATOM   2132 C CG  . LYS   A 1 286 ? -2.698  -18.338 21.377 1.000 49.538 ? 359 LYS   AaA CG  1 ? 
ATOM   2133 C CD  . LYS   A 1 286 ? -2.356  -18.795 22.779 1.000 49.980 ? 359 LYS   AaA CD  1 ? 
ATOM   2134 C CE  . LYS   A 1 286 ? -3.111  -20.061 23.121 1.000 52.590 ? 359 LYS   AaA CE  1 ? 
ATOM   2135 N NZ  . LYS   A 1 286 ? -2.936  -20.474 24.533 1.000 54.900 ? 359 LYS   AaA NZ  1 ? 
HETATM 2136 C C18 . A1IOW B 2 .   ? -33.871 -34.264 11.852 1.000 17.205 ? 401 A1IOW AaA C18 1 ? 
HETATM 2137 C C17 . A1IOW B 2 .   ? -34.310 -33.230 12.829 1.000 16.676 ? 401 A1IOW AaA C17 1 ? 
HETATM 2138 C C16 . A1IOW B 2 .   ? -34.982 -32.090 12.367 1.000 15.909 ? 401 A1IOW AaA C16 1 ? 
HETATM 2139 C C15 . A1IOW B 2 .   ? -35.396 -31.111 13.272 1.000 15.648 ? 401 A1IOW AaA C15 1 ? 
HETATM 2140 C C14 . A1IOW B 2 .   ? -35.181 -31.281 14.642 1.000 17.047 ? 401 A1IOW AaA C14 1 ? 
HETATM 2141 C C13 . A1IOW B 2 .   ? -34.524 -32.401 15.091 1.000 16.318 ? 401 A1IOW AaA C13 1 ? 
HETATM 2142 C C12 . A1IOW B 2 .   ? -34.112 -33.395 14.197 1.000 16.037 ? 401 A1IOW AaA C12 1 ? 
HETATM 2143 C C11 . A1IOW B 2 .   ? -33.362 -34.566 14.752 1.000 17.693 ? 401 A1IOW AaA C11 1 ? 
HETATM 2144 O O2  . A1IOW B 2 .   ? -31.974 -34.297 14.718 1.000 18.801 ? 401 A1IOW AaA O2  1 ? 
HETATM 2145 C C9  . A1IOW B 2 .   ? -31.168 -35.330 15.304 1.000 19.020 ? 401 A1IOW AaA C9  1 ? 
HETATM 2146 C C7  . A1IOW B 2 .   ? -29.792 -35.300 14.686 1.000 17.659 ? 401 A1IOW AaA C7  1 ? 
HETATM 2147 O O1  . A1IOW B 2 .   ? -29.171 -34.260 15.448 1.000 16.629 ? 401 A1IOW AaA O1  1 ? 
HETATM 2148 C C8  . A1IOW B 2 .   ? -29.747 -34.970 13.200 1.000 17.300 ? 401 A1IOW AaA C8  1 ? 
HETATM 2149 C C6  . A1IOW B 2 .   ? -29.000 -36.537 15.113 1.000 17.502 ? 401 A1IOW AaA C6  1 ? 
HETATM 2150 C C5  . A1IOW B 2 .   ? -28.644 -36.212 16.564 1.000 18.435 ? 401 A1IOW AaA C5  1 ? 
HETATM 2151 C C10 . A1IOW B 2 .   ? -30.874 -35.083 16.770 1.000 17.942 ? 401 A1IOW AaA C10 1 ? 
HETATM 2152 C C4  . A1IOW B 2 .   ? -29.341 -34.847 16.749 1.000 17.774 ? 401 A1IOW AaA C4  1 ? 
HETATM 2153 C C2  . A1IOW B 2 .   ? -28.794 -33.933 17.839 1.000 19.308 ? 401 A1IOW AaA C2  1 ? 
HETATM 2154 C C3  . A1IOW B 2 .   ? -27.336 -33.581 17.647 1.000 18.365 ? 401 A1IOW AaA C3  1 ? 
HETATM 2155 C C1  . A1IOW B 2 .   ? -29.059 -34.504 19.237 1.000 20.559 ? 401 A1IOW AaA C1  1 ? 
HETATM 2156 S S   . SO4   C 3 .   ? -35.009 -34.957 -0.003 0.500 15.352 ? 402 SO4   AaA S   1 ? 
HETATM 2157 O O1  . SO4   C 3 .   ? -34.510 -33.596 -0.040 0.500 13.834 ? 402 SO4   AaA O1  1 ? 
HETATM 2158 O O2  . SO4   C 3 .   ? -35.591 -35.215 1.309  0.500 16.302 ? 402 SO4   AaA O2  1 ? 
HETATM 2159 O O3  . SO4   C 3 .   ? -36.116 -35.064 -0.991 0.500 14.674 ? 402 SO4   AaA O3  1 ? 
HETATM 2160 O O4  . SO4   C 3 .   ? -34.015 -35.864 -0.309 0.500 16.709 ? 402 SO4   AaA O4  1 ? 
HETATM 2161 S S   . SO4   D 3 .   ? -29.809 -54.425 4.250  0.400 27.353 ? 403 SO4   AaA S   1 ? 
HETATM 2162 O O1  . SO4   D 3 .   ? -28.730 -54.496 3.310  0.400 27.845 ? 403 SO4   AaA O1  1 ? 
HETATM 2163 O O2  . SO4   D 3 .   ? -30.703 -53.366 3.857  0.400 29.659 ? 403 SO4   AaA O2  1 ? 
HETATM 2164 O O3  . SO4   D 3 .   ? -30.532 -55.673 4.292  0.400 25.643 ? 403 SO4   AaA O3  1 ? 
HETATM 2165 O O4  . SO4   D 3 .   ? -29.291 -54.124 5.568  0.400 26.294 ? 403 SO4   AaA O4  1 ? 
HETATM 2166 C C1  . GOL   E 4 .   ? -9.219  -24.670 22.973 1.000 35.069 ? 404 GOL   AaA C1  1 ? 
HETATM 2167 O O1  . GOL   E 4 .   ? -9.894  -25.868 23.369 1.000 29.660 ? 404 GOL   AaA O1  1 ? 
HETATM 2168 C C2  . GOL   E 4 .   ? -8.552  -24.867 21.625 1.000 36.627 ? 404 GOL   AaA C2  1 ? 
HETATM 2169 O O2  . GOL   E 4 .   ? -7.813  -23.726 21.157 1.000 31.827 ? 404 GOL   AaA O2  1 ? 
HETATM 2170 C C3  . GOL   E 4 .   ? -7.671  -26.099 21.645 1.000 39.941 ? 404 GOL   AaA C3  1 ? 
HETATM 2171 O O3  . GOL   E 4 .   ? -6.814  -26.163 22.785 1.000 41.119 ? 404 GOL   AaA O3  1 ? 
HETATM 2172 O O   A HOH   F 5 .   ? -12.727 -16.386 30.937 0.500 22.482 ? 501 HOH   AaA O   1 ? 
HETATM 2173 O O   . HOH   F 5 .   ? -23.035 -38.753 31.834 1.000 31.985 ? 502 HOH   AaA O   1 ? 
HETATM 2174 O O   . HOH   F 5 .   ? -22.248 -13.152 32.501 1.000 43.352 ? 503 HOH   AaA O   1 ? 
HETATM 2175 O O   . HOH   F 5 .   ? -33.348 -37.999 4.458  1.000 17.051 ? 504 HOH   AaA O   1 ? 
HETATM 2176 O O   . HOH   F 5 .   ? -43.795 -48.316 4.620  1.000 43.318 ? 505 HOH   AaA O   1 ? 
HETATM 2177 O O   . HOH   F 5 .   ? -34.315 -46.811 18.195 1.000 25.860 ? 506 HOH   AaA O   1 ? 
HETATM 2178 O O   . HOH   F 5 .   ? -22.419 -56.012 15.999 1.000 30.763 ? 507 HOH   AaA O   1 ? 
HETATM 2179 O O   . HOH   F 5 .   ? -9.226  -17.756 22.960 1.000 36.533 ? 508 HOH   AaA O   1 ? 
HETATM 2180 O O   . HOH   F 5 .   ? -30.675 -41.194 17.517 1.000 24.737 ? 509 HOH   AaA O   1 ? 
HETATM 2181 O O   . HOH   F 5 .   ? -22.966 -33.550 4.769  1.000 29.156 ? 510 HOH   AaA O   1 ? 
HETATM 2182 O O   . HOH   F 5 .   ? -7.786  -53.072 21.716 1.000 39.204 ? 511 HOH   AaA O   1 ? 
HETATM 2183 O O   . HOH   F 5 .   ? -31.190 -14.213 17.363 1.000 33.701 ? 512 HOH   AaA O   1 ? 
HETATM 2184 O O   . HOH   F 5 .   ? -20.405 -27.640 30.381 1.000 20.480 ? 513 HOH   AaA O   1 ? 
HETATM 2185 O O   . HOH   F 5 .   ? -1.417  -50.152 21.188 1.000 29.327 ? 514 HOH   AaA O   1 ? 
HETATM 2186 O O   . HOH   F 5 .   ? -9.115  -27.748 24.991 1.000 37.844 ? 515 HOH   AaA O   1 ? 
HETATM 2187 O O   . HOH   F 5 .   ? -17.964 -13.603 23.312 1.000 37.783 ? 516 HOH   AaA O   1 ? 
HETATM 2188 O O   . HOH   F 5 .   ? -24.963 -51.919 6.439  1.000 37.160 ? 517 HOH   AaA O   1 ? 
HETATM 2189 O O   . HOH   F 5 .   ? -37.153 -25.853 24.102 1.000 31.588 ? 518 HOH   AaA O   1 ? 
HETATM 2190 O O   . HOH   F 5 .   ? -33.653 -52.538 11.806 1.000 22.504 ? 519 HOH   AaA O   1 ? 
HETATM 2191 O O   . HOH   F 5 .   ? -16.204 -36.754 27.555 1.000 36.192 ? 520 HOH   AaA O   1 ? 
HETATM 2192 O O   . HOH   F 5 .   ? -36.102 -43.359 21.156 1.000 37.301 ? 521 HOH   AaA O   1 ? 
HETATM 2193 O O   . HOH   F 5 .   ? -26.411 -11.223 14.109 1.000 42.611 ? 522 HOH   AaA O   1 ? 
HETATM 2194 O O   . HOH   F 5 .   ? -3.279  -49.194 18.623 1.000 25.703 ? 523 HOH   AaA O   1 ? 
HETATM 2195 O O   . HOH   F 5 .   ? -20.064 -34.074 27.818 1.000 35.600 ? 524 HOH   AaA O   1 ? 
HETATM 2196 O O   . HOH   F 5 .   ? -32.713 -14.645 20.156 1.000 43.097 ? 525 HOH   AaA O   1 ? 
HETATM 2197 O O   . HOH   F 5 .   ? -13.038 -14.157 23.562 1.000 43.227 ? 526 HOH   AaA O   1 ? 
HETATM 2198 O O   . HOH   F 5 .   ? -5.215  -55.861 17.491 1.000 37.268 ? 527 HOH   AaA O   1 ? 
HETATM 2199 O O   . HOH   F 5 .   ? 2.538   -40.229 10.111 1.000 26.603 ? 528 HOH   AaA O   1 ? 
HETATM 2200 O O   . HOH   F 5 .   ? -17.443 -13.839 11.500 1.000 39.827 ? 529 HOH   AaA O   1 ? 
HETATM 2201 O O   . HOH   F 5 .   ? -42.649 -46.412 16.839 1.000 32.129 ? 530 HOH   AaA O   1 ? 
HETATM 2202 O O   . HOH   F 5 .   ? -10.419 -37.774 32.887 1.000 33.537 ? 531 HOH   AaA O   1 ? 
HETATM 2203 O O   . HOH   F 5 .   ? -12.752 -42.873 9.885  1.000 35.221 ? 532 HOH   AaA O   1 ? 
HETATM 2204 O O   . HOH   F 5 .   ? -32.696 -54.452 16.239 1.000 20.329 ? 533 HOH   AaA O   1 ? 
HETATM 2205 O O   . HOH   F 5 .   ? -21.051 -49.118 12.764 1.000 33.203 ? 534 HOH   AaA O   1 ? 
HETATM 2206 O O   . HOH   F 5 .   ? -10.347 -21.666 24.141 1.000 28.879 ? 535 HOH   AaA O   1 ? 
HETATM 2207 O O   . HOH   F 5 .   ? -8.402  -21.370 22.305 1.000 30.130 ? 536 HOH   AaA O   1 ? 
HETATM 2208 O O   . HOH   F 5 .   ? -20.742 -11.746 11.617 1.000 36.186 ? 537 HOH   AaA O   1 ? 
HETATM 2209 O O   . HOH   F 5 .   ? -4.867  -23.706 22.590 1.000 35.733 ? 538 HOH   AaA O   1 ? 
HETATM 2210 O O   . HOH   F 5 .   ? -29.291 -22.640 27.761 1.000 27.892 ? 539 HOH   AaA O   1 ? 
HETATM 2211 O O   . HOH   F 5 .   ? -33.199 -43.591 -3.754 1.000 29.496 ? 540 HOH   AaA O   1 ? 
HETATM 2212 O O   . HOH   F 5 .   ? -28.700 -16.726 16.613 1.000 36.130 ? 541 HOH   AaA O   1 ? 
HETATM 2213 O O   . HOH   F 5 .   ? -27.680 -17.683 13.295 1.000 25.317 ? 542 HOH   AaA O   1 ? 
HETATM 2214 O O   . HOH   F 5 .   ? -33.328 -17.892 11.469 1.000 32.036 ? 543 HOH   AaA O   1 ? 
HETATM 2215 O O   . HOH   F 5 .   ? -3.785  -32.569 7.885  1.000 29.152 ? 544 HOH   AaA O   1 ? 
HETATM 2216 O O   . HOH   F 5 .   ? 0.644   -35.057 24.152 1.000 43.477 ? 545 HOH   AaA O   1 ? 
HETATM 2217 O O   . HOH   F 5 .   ? -9.961  -29.757 9.520  1.000 31.532 ? 546 HOH   AaA O   1 ? 
HETATM 2218 O O   . HOH   F 5 .   ? -25.822 -48.871 19.752 1.000 33.442 ? 547 HOH   AaA O   1 ? 
HETATM 2219 O O   . HOH   F 5 .   ? 2.188   -34.993 21.620 1.000 38.992 ? 548 HOH   AaA O   1 ? 
HETATM 2220 O O   . HOH   F 5 .   ? -11.556 -23.169 34.664 1.000 39.395 ? 549 HOH   AaA O   1 ? 
HETATM 2221 O O   . HOH   F 5 .   ? -12.809 -28.797 28.235 1.000 28.147 ? 550 HOH   AaA O   1 ? 
HETATM 2222 O O   . HOH   F 5 .   ? 2.676   -42.446 23.745 1.000 39.471 ? 551 HOH   AaA O   1 ? 
HETATM 2223 O O   . HOH   F 5 .   ? -25.679 -41.810 18.424 1.000 34.257 ? 552 HOH   AaA O   1 ? 
HETATM 2224 O O   . HOH   F 5 .   ? -42.775 -27.983 7.422  1.000 23.595 ? 553 HOH   AaA O   1 ? 
HETATM 2225 O O   . HOH   F 5 .   ? -41.837 -26.988 20.875 1.000 40.448 ? 554 HOH   AaA O   1 ? 
HETATM 2226 O O   . HOH   F 5 .   ? -25.252 -43.409 4.238  1.000 24.936 ? 555 HOH   AaA O   1 ? 
HETATM 2227 O O   . HOH   F 5 .   ? -37.380 -27.532 13.261 1.000 17.120 ? 556 HOH   AaA O   1 ? 
HETATM 2228 O O   . HOH   F 5 .   ? -22.367 -22.402 29.310 1.000 19.402 ? 557 HOH   AaA O   1 ? 
HETATM 2229 O O   . HOH   F 5 .   ? -32.080 -18.058 22.102 1.000 29.086 ? 558 HOH   AaA O   1 ? 
HETATM 2230 O O   . HOH   F 5 .   ? -38.559 -17.909 11.760 1.000 34.237 ? 559 HOH   AaA O   1 ? 
HETATM 2231 O O   . HOH   F 5 .   ? -31.275 -21.638 -0.781 1.000 33.141 ? 560 HOH   AaA O   1 ? 
HETATM 2232 O O   . HOH   F 5 .   ? -28.441 -43.164 6.868  1.000 17.676 ? 561 HOH   AaA O   1 ? 
HETATM 2233 O O   . HOH   F 5 .   ? -17.504 -11.975 30.255 1.000 34.991 ? 562 HOH   AaA O   1 ? 
HETATM 2234 O O   . HOH   F 5 .   ? -23.226 -33.088 18.168 1.000 28.090 ? 563 HOH   AaA O   1 ? 
HETATM 2235 O O   . HOH   F 5 .   ? -23.109 -26.495 5.896  1.000 24.733 ? 564 HOH   AaA O   1 ? 
HETATM 2236 O O   . HOH   F 5 .   ? -5.571  -17.878 32.820 1.000 42.246 ? 565 HOH   AaA O   1 ? 
HETATM 2237 O O   . HOH   F 5 .   ? -28.988 -54.699 11.270 1.000 19.252 ? 566 HOH   AaA O   1 ? 
HETATM 2238 O O   . HOH   F 5 .   ? -43.126 -35.482 4.821  1.000 23.113 ? 567 HOH   AaA O   1 ? 
HETATM 2239 O O   . HOH   F 5 .   ? -21.271 -35.864 17.506 1.000 27.089 ? 568 HOH   AaA O   1 ? 
HETATM 2240 O O   . HOH   F 5 .   ? -33.070 -24.407 25.434 1.000 31.059 ? 569 HOH   AaA O   1 ? 
HETATM 2241 O O   . HOH   F 5 .   ? -22.593 -36.991 28.171 1.000 36.871 ? 570 HOH   AaA O   1 ? 
HETATM 2242 O O   . HOH   F 5 .   ? -23.581 -36.034 25.391 1.000 28.014 ? 571 HOH   AaA O   1 ? 
HETATM 2243 O O   . HOH   F 5 .   ? -43.687 -41.482 7.346  1.000 29.513 ? 572 HOH   AaA O   1 ? 
HETATM 2244 O O   . HOH   F 5 .   ? -44.429 -21.731 12.571 1.000 26.603 ? 573 HOH   AaA O   1 ? 
HETATM 2245 O O   . HOH   F 5 .   ? -15.963 -13.546 14.930 1.000 32.802 ? 574 HOH   AaA O   1 ? 
HETATM 2246 O O   . HOH   F 5 .   ? -7.307  -33.081 25.039 1.000 30.969 ? 575 HOH   AaA O   1 ? 
HETATM 2247 O O   . HOH   F 5 .   ? -29.149 -15.179 14.566 1.000 38.807 ? 576 HOH   AaA O   1 ? 
HETATM 2248 O O   . HOH   F 5 .   ? -13.906 -24.651 7.415  1.000 37.103 ? 577 HOH   AaA O   1 ? 
HETATM 2249 O O   . HOH   F 5 .   ? -40.388 -34.733 -2.198 1.000 24.639 ? 578 HOH   AaA O   1 ? 
HETATM 2250 O O   . HOH   F 5 .   ? -35.199 -31.347 1.465  1.000 20.046 ? 579 HOH   AaA O   1 ? 
HETATM 2251 O O   . HOH   F 5 .   ? -34.336 -27.766 11.163 1.000 14.406 ? 580 HOH   AaA O   1 ? 
HETATM 2252 O O   . HOH   F 5 .   ? -26.237 -54.157 4.831  1.000 32.526 ? 581 HOH   AaA O   1 ? 
HETATM 2253 O O   . HOH   F 5 .   ? -35.575 -21.021 10.624 1.000 26.144 ? 582 HOH   AaA O   1 ? 
HETATM 2254 O O   . HOH   F 5 .   ? -40.387 -27.460 5.833  1.000 23.069 ? 583 HOH   AaA O   1 ? 
HETATM 2255 O O   . HOH   F 5 .   ? -44.259 -19.812 15.827 1.000 36.674 ? 584 HOH   AaA O   1 ? 
HETATM 2256 O O   . HOH   F 5 .   ? -28.565 -31.646 2.671  1.000 25.005 ? 585 HOH   AaA O   1 ? 
HETATM 2257 O O   . HOH   F 5 .   ? -44.577 -36.495 8.547  1.000 26.238 ? 586 HOH   AaA O   1 ? 
HETATM 2258 O O   . HOH   F 5 .   ? 3.347   -32.373 24.903 1.000 42.636 ? 587 HOH   AaA O   1 ? 
HETATM 2259 O O   . HOH   F 5 .   ? -21.930 -31.851 6.741  1.000 25.905 ? 588 HOH   AaA O   1 ? 
HETATM 2260 O O   . HOH   F 5 .   ? -42.305 -35.666 16.015 1.000 36.200 ? 589 HOH   AaA O   1 ? 
HETATM 2261 O O   . HOH   F 5 .   ? -31.702 -30.943 1.586  1.000 30.307 ? 590 HOH   AaA O   1 ? 
HETATM 2262 O O   . HOH   F 5 .   ? -28.313 -39.526 17.933 1.000 29.525 ? 591 HOH   AaA O   1 ? 
HETATM 2263 O O   . HOH   F 5 .   ? -22.046 -33.881 24.334 1.000 25.326 ? 592 HOH   AaA O   1 ? 
HETATM 2264 O O   . HOH   F 5 .   ? -2.293  -48.693 24.414 1.000 33.417 ? 593 HOH   AaA O   1 ? 
HETATM 2265 O O   . HOH   F 5 .   ? -0.347  -47.369 19.108 1.000 29.459 ? 594 HOH   AaA O   1 ? 
HETATM 2266 O O   . HOH   F 5 .   ? -43.868 -35.803 11.211 1.000 26.990 ? 595 HOH   AaA O   1 ? 
HETATM 2267 O O   . HOH   F 5 .   ? 8.866   -34.424 15.896 1.000 39.802 ? 596 HOH   AaA O   1 ? 
HETATM 2268 O O   . HOH   F 5 .   ? -22.499 -50.976 8.591  1.000 29.770 ? 597 HOH   AaA O   1 ? 
HETATM 2269 O O   . HOH   F 5 .   ? -4.535  -38.019 29.348 1.000 39.120 ? 598 HOH   AaA O   1 ? 
HETATM 2270 O O   . HOH   F 5 .   ? -4.342  -53.670 24.108 1.000 38.614 ? 599 HOH   AaA O   1 ? 
HETATM 2271 O O   . HOH   F 5 .   ? -36.528 -28.417 24.033 1.000 27.662 ? 600 HOH   AaA O   1 ? 
HETATM 2272 O O   . HOH   F 5 .   ? -5.732  -40.727 9.742  1.000 21.669 ? 601 HOH   AaA O   1 ? 
HETATM 2273 O O   . HOH   F 5 .   ? -44.446 -41.792 4.767  1.000 34.452 ? 602 HOH   AaA O   1 ? 
HETATM 2274 O O   . HOH   F 5 .   ? -32.182 -28.089 -0.161 1.000 30.451 ? 603 HOH   AaA O   1 ? 
HETATM 2275 O O   . HOH   F 5 .   ? -5.294  -38.055 17.118 1.000 26.735 ? 604 HOH   AaA O   1 ? 
HETATM 2276 O O   . HOH   F 5 .   ? -19.875 -42.844 19.225 1.000 35.084 ? 605 HOH   AaA O   1 ? 
HETATM 2277 O O   . HOH   F 5 .   ? 5.538   -34.639 9.813  1.000 35.915 ? 606 HOH   AaA O   1 ? 
HETATM 2278 O O   . HOH   F 5 .   ? -21.990 -40.607 33.502 1.000 38.032 ? 607 HOH   AaA O   1 ? 
HETATM 2279 O O   . HOH   F 5 .   ? -7.995  -30.507 24.627 1.000 38.568 ? 608 HOH   AaA O   1 ? 
HETATM 2280 O O   . HOH   F 5 .   ? -36.119 -21.654 7.407  1.000 34.575 ? 609 HOH   AaA O   1 ? 
HETATM 2281 O O   . HOH   F 5 .   ? -20.973 -32.277 19.443 1.000 25.924 ? 610 HOH   AaA O   1 ? 
HETATM 2282 O O   . HOH   F 5 .   ? -5.229  -42.981 3.101  1.000 37.368 ? 611 HOH   AaA O   1 ? 
HETATM 2283 O O   . HOH   F 5 .   ? -10.554 -16.926 20.530 1.000 27.455 ? 612 HOH   AaA O   1 ? 
HETATM 2284 O O   . HOH   F 5 .   ? -35.719 -18.913 18.863 1.000 28.015 ? 613 HOH   AaA O   1 ? 
HETATM 2285 O O   . HOH   F 5 .   ? -9.200  -40.314 29.145 1.000 30.079 ? 614 HOH   AaA O   1 ? 
HETATM 2286 O O   . HOH   F 5 .   ? -22.897 -40.671 17.196 1.000 29.495 ? 615 HOH   AaA O   1 ? 
HETATM 2287 O O   . HOH   F 5 .   ? 3.885   -37.992 21.560 1.000 37.230 ? 616 HOH   AaA O   1 ? 
HETATM 2288 O O   . HOH   F 5 .   ? -25.560 -45.612 5.888  1.000 34.992 ? 617 HOH   AaA O   1 ? 
HETATM 2289 O O   . HOH   F 5 .   ? -15.954 -40.075 36.266 1.000 32.154 ? 618 HOH   AaA O   1 ? 
HETATM 2290 O O   . HOH   F 5 .   ? -34.538 -45.588 7.440  1.000 27.601 ? 619 HOH   AaA O   1 ? 
HETATM 2291 O O   . HOH   F 5 .   ? -24.406 -20.907 32.796 1.000 27.069 ? 620 HOH   AaA O   1 ? 
HETATM 2292 O O   . HOH   F 5 .   ? -13.774 -22.979 37.735 1.000 27.427 ? 621 HOH   AaA O   1 ? 
HETATM 2293 O O   . HOH   F 5 .   ? -34.358 -30.832 4.048  1.000 16.661 ? 622 HOH   AaA O   1 ? 
HETATM 2294 O O   . HOH   F 5 .   ? -28.121 -13.296 20.311 1.000 39.585 ? 623 HOH   AaA O   1 ? 
HETATM 2295 O O   . HOH   F 5 .   ? -20.095 -15.000 22.804 1.000 30.293 ? 624 HOH   AaA O   1 ? 
HETATM 2296 O O   . HOH   F 5 .   ? -41.742 -39.241 14.058 1.000 25.174 ? 625 HOH   AaA O   1 ? 
HETATM 2297 O O   . HOH   F 5 .   ? -27.962 -19.400 7.313  1.000 34.256 ? 626 HOH   AaA O   1 ? 
HETATM 2298 O O   . HOH   F 5 .   ? -17.677 -19.462 18.695 1.000 28.348 ? 627 HOH   AaA O   1 ? 
HETATM 2299 O O   . HOH   F 5 .   ? 0.796   -39.947 7.727  1.000 37.868 ? 628 HOH   AaA O   1 ? 
HETATM 2300 O O   . HOH   F 5 .   ? -30.057 -49.705 3.947  1.000 33.706 ? 629 HOH   AaA O   1 ? 
HETATM 2301 O O   . HOH   F 5 .   ? -40.463 -46.096 3.457  1.000 29.746 ? 630 HOH   AaA O   1 ? 
HETATM 2302 O O   . HOH   F 5 .   ? -39.846 -24.244 21.003 1.000 31.410 ? 631 HOH   AaA O   1 ? 
HETATM 2303 O O   . HOH   F 5 .   ? -29.611 -28.988 1.358  1.000 32.961 ? 632 HOH   AaA O   1 ? 
HETATM 2304 O O   . HOH   F 5 .   ? -10.554 -14.327 27.675 1.000 37.978 ? 633 HOH   AaA O   1 ? 
HETATM 2305 O O   . HOH   F 5 .   ? -39.213 -47.779 6.517  1.000 35.752 ? 634 HOH   AaA O   1 ? 
HETATM 2306 O O   . HOH   F 5 .   ? -33.887 -23.133 9.018  1.000 22.655 ? 635 HOH   AaA O   1 ? 
HETATM 2307 O O   . HOH   F 5 .   ? -9.670  -42.488 32.813 1.000 38.352 ? 636 HOH   AaA O   1 ? 
HETATM 2308 O O   . HOH   F 5 .   ? -33.811 -22.542 3.156  1.000 32.446 ? 637 HOH   AaA O   1 ? 
HETATM 2309 O O   . HOH   F 5 .   ? -26.564 -17.918 15.862 1.000 23.904 ? 638 HOH   AaA O   1 ? 
HETATM 2310 O O   . HOH   F 5 .   ? -34.674 -18.226 21.326 1.000 38.213 ? 639 HOH   AaA O   1 ? 
HETATM 2311 O O   . HOH   F 5 .   ? -9.857  -52.085 22.992 1.000 39.280 ? 640 HOH   AaA O   1 ? 
HETATM 2312 O O   . HOH   F 5 .   ? -26.194 -20.830 30.462 1.000 31.598 ? 641 HOH   AaA O   1 ? 
HETATM 2313 O O   . HOH   F 5 .   ? -37.951 -46.015 1.035  1.000 29.451 ? 642 HOH   AaA O   1 ? 
HETATM 2314 O O   . HOH   F 5 .   ? -31.135 -52.838 10.762 1.000 31.710 ? 643 HOH   AaA O   1 ? 
HETATM 2315 O O   . HOH   F 5 .   ? -29.783 -38.949 19.970 1.000 45.822 ? 644 HOH   AaA O   1 ? 
HETATM 2316 O O   . HOH   F 5 .   ? -43.275 -43.275 -0.000 0.500 34.074 ? 645 HOH   AaA O   1 ? 
HETATM 2317 O O   . HOH   F 5 .   ? -15.821 -42.931 16.737 1.000 35.425 ? 646 HOH   AaA O   1 ? 
HETATM 2318 O O   . HOH   F 5 .   ? -19.581 -32.588 8.339  1.000 28.289 ? 647 HOH   AaA O   1 ? 
HETATM 2319 O O   . HOH   F 5 .   ? 1.536   -41.738 25.633 1.000 39.663 ? 648 HOH   AaA O   1 ? 
HETATM 2320 O O   . HOH   F 5 .   ? -28.032 -47.765 21.600 1.000 40.472 ? 649 HOH   AaA O   1 ? 
HETATM 2321 O O   . HOH   F 5 .   ? -36.532 -24.535 26.747 1.000 37.408 ? 650 HOH   AaA O   1 ? 
HETATM 2322 O O   . HOH   F 5 .   ? -22.799 -42.580 4.196  1.000 41.449 ? 651 HOH   AaA O   1 ? 
HETATM 2323 O O   . HOH   F 5 .   ? -41.827 -38.587 16.487 1.000 40.275 ? 652 HOH   AaA O   1 ? 
HETATM 2324 O O   . HOH   F 5 .   ? -41.969 -48.722 18.204 1.000 41.774 ? 653 HOH   AaA O   1 ? 
HETATM 2325 O O   . HOH   F 5 .   ? 0.000   -49.215 23.265 0.500 30.437 ? 654 HOH   AaA O   1 ? 
HETATM 2326 O O   . HOH   F 5 .   ? -21.347 -53.036 9.941  1.000 33.931 ? 655 HOH   AaA O   1 ? 
HETATM 2327 O O   . HOH   F 5 .   ? -35.227 -51.770 7.321  1.000 32.148 ? 656 HOH   AaA O   1 ? 
HETATM 2328 O O   . HOH   F 5 .   ? -45.155 -39.056 7.973  1.000 33.547 ? 657 HOH   AaA O   1 ? 
HETATM 2329 O O   . HOH   F 5 .   ? -24.596 -53.486 2.485  1.000 43.643 ? 658 HOH   AaA O   1 ? 
HETATM 2330 O O   . HOH   F 5 .   ? -4.093  -34.496 5.875  1.000 37.197 ? 659 HOH   AaA O   1 ? 
# 
