data_9KNC
# 
_entry.id   9KNC 
# 
_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   9KNC         pdb_00009knc 10.2210/pdb9knc/pdb 
WWPDB D_1300053811 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-16 ? 
2 'Structure model' 1 1 2025-04-23 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
2 2 'Structure model' '_citation.title'                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9KNC 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-18 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_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                 4 
_pdbx_contact_author.email              liu_jinsong@gibh.ac.cn 
_pdbx_contact_author.name_first         Jinsong 
_pdbx_contact_author.name_last          Liu 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2317-0558 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Xu, T.'   1 0000-0002-1826-2012 
'Wang, N.' 2 0009-0000-4095-3963 
'Liu, J.'  3 0000-0003-2317-0558 
# 
_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                   CN 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Acta Pharmacol.Sin.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1745-7254 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Identification of indoles as potential endogenous ligands of ERR gamma and their modulation on drug binding.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41401-025-01550-6 
_citation.pdbx_database_id_PubMed   40200124 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Shuai, Y.Y.' 1  ? 
primary 'Zhang, H.Y.' 2  ? 
primary 'Chen, R.'    3  ? 
primary 'Wang, B.L.'  4  ? 
primary 'Ding, P.'    5  ? 
primary 'Dong, Y.'    6  ? 
primary 'Sun, M.Z.'   7  ? 
primary 'Wu, X.S.'    8  ? 
primary 'Xu, Y.'      9  ? 
primary 'Zhang, Y.'   10 ? 
primary 'Liu, J.S.'   11 ? 
primary 'Wang, N.'    12 ? 
primary 'Xu, T.T.'    13 ? 
# 
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 'Estrogen-related receptor gamma'        28386.941 1  ? ? ? ? 
2 polymer     man 'Nuclear receptor-interacting protein 1' 1692.997  1  ? ? ? ? 
3 non-polymer syn '6-nitro-1~{H}-indole'                   162.145   1  ? ? ? ? 
4 non-polymer syn R-1,2-PROPANEDIOL                        76.094    6  ? ? ? ? 
5 water       nat water                                    18.015    64 ? ? ? ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'ERR gamma-2,Estrogen receptor-related protein 3,Nuclear receptor subfamily 3 group B member 3' 
2 'Nuclear factor RIP140,Receptor-interacting protein 140'                                        
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;MGSSHHHHHHSSGLVPRGSHMPAKKPYNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIP
GFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFV
TLKAIALANSDSMHIEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMH
KLFLEMLEAKV
;
;MGSSHHHHHHSSGLVPRGSHMPAKKPYNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIP
GFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFV
TLKAIALANSDSMHIEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMH
KLFLEMLEAKV
;
A ? 
2 'polypeptide(L)' no no NNSLLLHLLKSQTIP NNSLLLHLLKSQTIP C ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 '6-nitro-1~{H}-indole' A1EF8 
4 R-1,2-PROPANEDIOL      PGR   
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   SER n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   HIS n 
1 9   HIS n 
1 10  HIS n 
1 11  SER n 
1 12  SER n 
1 13  GLY n 
1 14  LEU n 
1 15  VAL n 
1 16  PRO n 
1 17  ARG n 
1 18  GLY n 
1 19  SER n 
1 20  HIS n 
1 21  MET n 
1 22  PRO n 
1 23  ALA n 
1 24  LYS n 
1 25  LYS n 
1 26  PRO n 
1 27  TYR n 
1 28  ASN n 
1 29  LYS n 
1 30  ILE n 
1 31  VAL n 
1 32  SER n 
1 33  HIS n 
1 34  LEU n 
1 35  LEU n 
1 36  VAL n 
1 37  ALA n 
1 38  GLU n 
1 39  PRO n 
1 40  GLU n 
1 41  LYS n 
1 42  ILE n 
1 43  TYR n 
1 44  ALA n 
1 45  MET n 
1 46  PRO n 
1 47  ASP n 
1 48  PRO n 
1 49  THR n 
1 50  VAL n 
1 51  PRO n 
1 52  ASP n 
1 53  SER n 
1 54  ASP n 
1 55  ILE n 
1 56  LYS n 
1 57  ALA n 
1 58  LEU n 
1 59  THR n 
1 60  THR n 
1 61  LEU n 
1 62  CYS n 
1 63  ASP n 
1 64  LEU n 
1 65  ALA n 
1 66  ASP n 
1 67  ARG n 
1 68  GLU n 
1 69  LEU n 
1 70  VAL n 
1 71  VAL n 
1 72  ILE n 
1 73  ILE n 
1 74  GLY n 
1 75  TRP n 
1 76  ALA n 
1 77  LYS n 
1 78  HIS n 
1 79  ILE n 
1 80  PRO n 
1 81  GLY n 
1 82  PHE n 
1 83  SER n 
1 84  THR n 
1 85  LEU n 
1 86  SER n 
1 87  LEU n 
1 88  ALA n 
1 89  ASP n 
1 90  GLN n 
1 91  MET n 
1 92  SER n 
1 93  LEU n 
1 94  LEU n 
1 95  GLN n 
1 96  SER n 
1 97  ALA n 
1 98  TRP n 
1 99  MET n 
1 100 GLU n 
1 101 ILE n 
1 102 LEU n 
1 103 ILE n 
1 104 LEU n 
1 105 GLY n 
1 106 VAL n 
1 107 VAL n 
1 108 TYR n 
1 109 ARG n 
1 110 SER n 
1 111 LEU n 
1 112 SER n 
1 113 PHE n 
1 114 GLU n 
1 115 ASP n 
1 116 GLU n 
1 117 LEU n 
1 118 VAL n 
1 119 TYR n 
1 120 ALA n 
1 121 ASP n 
1 122 ASP n 
1 123 TYR n 
1 124 ILE n 
1 125 MET n 
1 126 ASP n 
1 127 GLU n 
1 128 ASP n 
1 129 GLN n 
1 130 SER n 
1 131 LYS n 
1 132 LEU n 
1 133 ALA n 
1 134 GLY n 
1 135 LEU n 
1 136 LEU n 
1 137 ASP n 
1 138 LEU n 
1 139 ASN n 
1 140 ASN n 
1 141 ALA n 
1 142 ILE n 
1 143 LEU n 
1 144 GLN n 
1 145 LEU n 
1 146 VAL n 
1 147 LYS n 
1 148 LYS n 
1 149 TYR n 
1 150 LYS n 
1 151 SER n 
1 152 MET n 
1 153 LYS n 
1 154 LEU n 
1 155 GLU n 
1 156 LYS n 
1 157 GLU n 
1 158 GLU n 
1 159 PHE n 
1 160 VAL n 
1 161 THR n 
1 162 LEU n 
1 163 LYS n 
1 164 ALA n 
1 165 ILE n 
1 166 ALA n 
1 167 LEU n 
1 168 ALA n 
1 169 ASN n 
1 170 SER n 
1 171 ASP n 
1 172 SER n 
1 173 MET n 
1 174 HIS n 
1 175 ILE n 
1 176 GLU n 
1 177 ASP n 
1 178 VAL n 
1 179 GLU n 
1 180 ALA n 
1 181 VAL n 
1 182 GLN n 
1 183 LYS n 
1 184 LEU n 
1 185 GLN n 
1 186 ASP n 
1 187 VAL n 
1 188 LEU n 
1 189 HIS n 
1 190 GLU n 
1 191 ALA n 
1 192 LEU n 
1 193 GLN n 
1 194 ASP n 
1 195 TYR n 
1 196 GLU n 
1 197 ALA n 
1 198 GLY n 
1 199 GLN n 
1 200 HIS n 
1 201 MET n 
1 202 GLU n 
1 203 ASP n 
1 204 PRO n 
1 205 ARG n 
1 206 ARG n 
1 207 ALA n 
1 208 GLY n 
1 209 LYS n 
1 210 MET n 
1 211 LEU n 
1 212 MET n 
1 213 THR n 
1 214 LEU n 
1 215 PRO n 
1 216 LEU n 
1 217 LEU n 
1 218 ARG n 
1 219 GLN n 
1 220 THR n 
1 221 SER n 
1 222 THR n 
1 223 LYS n 
1 224 ALA n 
1 225 VAL n 
1 226 GLN n 
1 227 HIS n 
1 228 PHE n 
1 229 TYR n 
1 230 ASN n 
1 231 ILE n 
1 232 LYS n 
1 233 LEU n 
1 234 GLU n 
1 235 GLY n 
1 236 LYS n 
1 237 VAL n 
1 238 PRO n 
1 239 MET n 
1 240 HIS n 
1 241 LYS n 
1 242 LEU n 
1 243 PHE n 
1 244 LEU n 
1 245 GLU n 
1 246 MET n 
1 247 LEU n 
1 248 GLU n 
1 249 ALA n 
1 250 LYS n 
1 251 VAL n 
2 1   ASN n 
2 2   ASN n 
2 3   SER n 
2 4   LEU n 
2 5   LEU n 
2 6   LEU n 
2 7   HIS n 
2 8   LEU n 
2 9   LEU n 
2 10  LYS n 
2 11  SER n 
2 12  GLN n 
2 13  THR n 
2 14  ILE n 
2 15  PRO n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_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 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_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 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_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 
1 1 sample 'Biological sequence' 1 251 human ? 'ESRRG, ERR3, ERRG2, KIAA0832, NR3B3' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 
? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 15  human ? NRIP1                                 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 
? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
A1EF8 non-polymer         . '6-nitro-1~{H}-indole' ? 'C8 H6 N2 O2'    162.145 
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  
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 
PGR   non-polymer         . R-1,2-PROPANEDIOL      ? 'C3 H8 O2'       76.094  
PHE   'L-peptide linking' y PHENYLALANINE          ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                 ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE              ? 'C4 H9 N O3'     119.119 
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   208 ?   ?   ?   A . n 
A 1 2   GLY 2   209 ?   ?   ?   A . n 
A 1 3   SER 3   210 ?   ?   ?   A . n 
A 1 4   SER 4   211 ?   ?   ?   A . n 
A 1 5   HIS 5   212 ?   ?   ?   A . n 
A 1 6   HIS 6   213 ?   ?   ?   A . n 
A 1 7   HIS 7   214 ?   ?   ?   A . n 
A 1 8   HIS 8   215 ?   ?   ?   A . n 
A 1 9   HIS 9   216 ?   ?   ?   A . n 
A 1 10  HIS 10  217 ?   ?   ?   A . n 
A 1 11  SER 11  218 ?   ?   ?   A . n 
A 1 12  SER 12  219 ?   ?   ?   A . n 
A 1 13  GLY 13  220 ?   ?   ?   A . n 
A 1 14  LEU 14  221 ?   ?   ?   A . n 
A 1 15  VAL 15  222 ?   ?   ?   A . n 
A 1 16  PRO 16  223 ?   ?   ?   A . n 
A 1 17  ARG 17  224 ?   ?   ?   A . n 
A 1 18  GLY 18  225 ?   ?   ?   A . n 
A 1 19  SER 19  226 ?   ?   ?   A . n 
A 1 20  HIS 20  227 ?   ?   ?   A . n 
A 1 21  MET 21  228 ?   ?   ?   A . n 
A 1 22  PRO 22  229 ?   ?   ?   A . n 
A 1 23  ALA 23  230 ?   ?   ?   A . n 
A 1 24  LYS 24  231 ?   ?   ?   A . n 
A 1 25  LYS 25  232 ?   ?   ?   A . n 
A 1 26  PRO 26  233 233 PRO PRO A . n 
A 1 27  TYR 27  234 234 TYR TYR A . n 
A 1 28  ASN 28  235 235 ASN ASN A . n 
A 1 29  LYS 29  236 236 LYS LYS A . n 
A 1 30  ILE 30  237 237 ILE ILE A . n 
A 1 31  VAL 31  238 238 VAL VAL A . n 
A 1 32  SER 32  239 239 SER SER A . n 
A 1 33  HIS 33  240 240 HIS HIS A . n 
A 1 34  LEU 34  241 241 LEU LEU A . n 
A 1 35  LEU 35  242 242 LEU LEU A . n 
A 1 36  VAL 36  243 243 VAL VAL A . n 
A 1 37  ALA 37  244 244 ALA ALA A . n 
A 1 38  GLU 38  245 245 GLU GLU A . n 
A 1 39  PRO 39  246 246 PRO PRO A . n 
A 1 40  GLU 40  247 247 GLU GLU A . n 
A 1 41  LYS 41  248 248 LYS LYS A . n 
A 1 42  ILE 42  249 249 ILE ILE A . n 
A 1 43  TYR 43  250 250 TYR TYR A . n 
A 1 44  ALA 44  251 251 ALA ALA A . n 
A 1 45  MET 45  252 252 MET MET A . n 
A 1 46  PRO 46  253 253 PRO PRO A . n 
A 1 47  ASP 47  254 254 ASP ASP A . n 
A 1 48  PRO 48  255 255 PRO PRO A . n 
A 1 49  THR 49  256 256 THR THR A . n 
A 1 50  VAL 50  257 257 VAL VAL A . n 
A 1 51  PRO 51  258 258 PRO PRO A . n 
A 1 52  ASP 52  259 259 ASP ASP A . n 
A 1 53  SER 53  260 260 SER SER A . n 
A 1 54  ASP 54  261 261 ASP ASP A . n 
A 1 55  ILE 55  262 262 ILE ILE A . n 
A 1 56  LYS 56  263 263 LYS LYS A . n 
A 1 57  ALA 57  264 264 ALA ALA A . n 
A 1 58  LEU 58  265 265 LEU LEU A . n 
A 1 59  THR 59  266 266 THR THR A . n 
A 1 60  THR 60  267 267 THR THR A . n 
A 1 61  LEU 61  268 268 LEU LEU A . n 
A 1 62  CYS 62  269 269 CYS CYS A . n 
A 1 63  ASP 63  270 270 ASP ASP A . n 
A 1 64  LEU 64  271 271 LEU LEU A . n 
A 1 65  ALA 65  272 272 ALA ALA A . n 
A 1 66  ASP 66  273 273 ASP ASP A . n 
A 1 67  ARG 67  274 274 ARG ARG A . n 
A 1 68  GLU 68  275 275 GLU GLU A . n 
A 1 69  LEU 69  276 276 LEU LEU A . n 
A 1 70  VAL 70  277 277 VAL VAL A . n 
A 1 71  VAL 71  278 278 VAL VAL A . n 
A 1 72  ILE 72  279 279 ILE ILE A . n 
A 1 73  ILE 73  280 280 ILE ILE A . n 
A 1 74  GLY 74  281 281 GLY GLY A . n 
A 1 75  TRP 75  282 282 TRP TRP A . n 
A 1 76  ALA 76  283 283 ALA ALA A . n 
A 1 77  LYS 77  284 284 LYS LYS A . n 
A 1 78  HIS 78  285 285 HIS HIS A . n 
A 1 79  ILE 79  286 286 ILE ILE A . n 
A 1 80  PRO 80  287 287 PRO PRO A . n 
A 1 81  GLY 81  288 288 GLY GLY A . n 
A 1 82  PHE 82  289 289 PHE PHE A . n 
A 1 83  SER 83  290 290 SER SER A . n 
A 1 84  THR 84  291 291 THR THR A . n 
A 1 85  LEU 85  292 292 LEU LEU A . n 
A 1 86  SER 86  293 293 SER SER A . n 
A 1 87  LEU 87  294 294 LEU LEU A . n 
A 1 88  ALA 88  295 295 ALA ALA A . n 
A 1 89  ASP 89  296 296 ASP ASP A . n 
A 1 90  GLN 90  297 297 GLN GLN A . n 
A 1 91  MET 91  298 298 MET MET A . n 
A 1 92  SER 92  299 299 SER SER A . n 
A 1 93  LEU 93  300 300 LEU LEU A . n 
A 1 94  LEU 94  301 301 LEU LEU A . n 
A 1 95  GLN 95  302 302 GLN GLN A . n 
A 1 96  SER 96  303 303 SER SER A . n 
A 1 97  ALA 97  304 304 ALA ALA A . n 
A 1 98  TRP 98  305 305 TRP TRP A . n 
A 1 99  MET 99  306 306 MET MET A . n 
A 1 100 GLU 100 307 307 GLU GLU A . n 
A 1 101 ILE 101 308 308 ILE ILE A . n 
A 1 102 LEU 102 309 309 LEU LEU A . n 
A 1 103 ILE 103 310 310 ILE ILE A . n 
A 1 104 LEU 104 311 311 LEU LEU A . n 
A 1 105 GLY 105 312 312 GLY GLY A . n 
A 1 106 VAL 106 313 313 VAL VAL A . n 
A 1 107 VAL 107 314 314 VAL VAL A . n 
A 1 108 TYR 108 315 315 TYR TYR A . n 
A 1 109 ARG 109 316 316 ARG ARG A . n 
A 1 110 SER 110 317 317 SER SER A . n 
A 1 111 LEU 111 318 318 LEU LEU A . n 
A 1 112 SER 112 319 319 SER SER A . n 
A 1 113 PHE 113 320 320 PHE PHE A . n 
A 1 114 GLU 114 321 321 GLU GLU A . n 
A 1 115 ASP 115 322 322 ASP ASP A . n 
A 1 116 GLU 116 323 323 GLU GLU A . n 
A 1 117 LEU 117 324 324 LEU LEU A . n 
A 1 118 VAL 118 325 325 VAL VAL A . n 
A 1 119 TYR 119 326 326 TYR TYR A . n 
A 1 120 ALA 120 327 327 ALA ALA A . n 
A 1 121 ASP 121 328 328 ASP ASP A . n 
A 1 122 ASP 122 329 329 ASP ASP A . n 
A 1 123 TYR 123 330 330 TYR TYR A . n 
A 1 124 ILE 124 331 331 ILE ILE A . n 
A 1 125 MET 125 332 332 MET MET A . n 
A 1 126 ASP 126 333 333 ASP ASP A . n 
A 1 127 GLU 127 334 334 GLU GLU A . n 
A 1 128 ASP 128 335 335 ASP ASP A . n 
A 1 129 GLN 129 336 336 GLN GLN A . n 
A 1 130 SER 130 337 337 SER SER A . n 
A 1 131 LYS 131 338 338 LYS LYS A . n 
A 1 132 LEU 132 339 339 LEU LEU A . n 
A 1 133 ALA 133 340 340 ALA ALA A . n 
A 1 134 GLY 134 341 341 GLY GLY A . n 
A 1 135 LEU 135 342 342 LEU LEU A . n 
A 1 136 LEU 136 343 343 LEU LEU A . n 
A 1 137 ASP 137 344 344 ASP ASP A . n 
A 1 138 LEU 138 345 345 LEU LEU A . n 
A 1 139 ASN 139 346 346 ASN ASN A . n 
A 1 140 ASN 140 347 347 ASN ASN A . n 
A 1 141 ALA 141 348 348 ALA ALA A . n 
A 1 142 ILE 142 349 349 ILE ILE A . n 
A 1 143 LEU 143 350 350 LEU LEU A . n 
A 1 144 GLN 144 351 351 GLN GLN A . n 
A 1 145 LEU 145 352 352 LEU LEU A . n 
A 1 146 VAL 146 353 353 VAL VAL A . n 
A 1 147 LYS 147 354 354 LYS LYS A . n 
A 1 148 LYS 148 355 355 LYS LYS A . n 
A 1 149 TYR 149 356 356 TYR TYR A . n 
A 1 150 LYS 150 357 357 LYS LYS A . n 
A 1 151 SER 151 358 358 SER SER A . n 
A 1 152 MET 152 359 359 MET MET A . n 
A 1 153 LYS 153 360 360 LYS LYS A . n 
A 1 154 LEU 154 361 361 LEU LEU A . n 
A 1 155 GLU 155 362 362 GLU GLU A . n 
A 1 156 LYS 156 363 363 LYS LYS A . n 
A 1 157 GLU 157 364 364 GLU GLU A . n 
A 1 158 GLU 158 365 365 GLU GLU A . n 
A 1 159 PHE 159 366 366 PHE PHE A . n 
A 1 160 VAL 160 367 367 VAL VAL A . n 
A 1 161 THR 161 368 368 THR THR A . n 
A 1 162 LEU 162 369 369 LEU LEU A . n 
A 1 163 LYS 163 370 370 LYS LYS A . n 
A 1 164 ALA 164 371 371 ALA ALA A . n 
A 1 165 ILE 165 372 372 ILE ILE A . n 
A 1 166 ALA 166 373 373 ALA ALA A . n 
A 1 167 LEU 167 374 374 LEU LEU A . n 
A 1 168 ALA 168 375 375 ALA ALA A . n 
A 1 169 ASN 169 376 376 ASN ASN A . n 
A 1 170 SER 170 377 377 SER SER A . n 
A 1 171 ASP 171 378 378 ASP ASP A . n 
A 1 172 SER 172 379 379 SER SER A . n 
A 1 173 MET 173 380 380 MET MET A . n 
A 1 174 HIS 174 381 381 HIS HIS A . n 
A 1 175 ILE 175 382 382 ILE ILE A . n 
A 1 176 GLU 176 383 383 GLU GLU A . n 
A 1 177 ASP 177 384 384 ASP ASP A . n 
A 1 178 VAL 178 385 385 VAL VAL A . n 
A 1 179 GLU 179 386 386 GLU GLU A . n 
A 1 180 ALA 180 387 387 ALA ALA A . n 
A 1 181 VAL 181 388 388 VAL VAL A . n 
A 1 182 GLN 182 389 389 GLN GLN A . n 
A 1 183 LYS 183 390 390 LYS LYS A . n 
A 1 184 LEU 184 391 391 LEU LEU A . n 
A 1 185 GLN 185 392 392 GLN GLN A . n 
A 1 186 ASP 186 393 393 ASP ASP A . n 
A 1 187 VAL 187 394 394 VAL VAL A . n 
A 1 188 LEU 188 395 395 LEU LEU A . n 
A 1 189 HIS 189 396 396 HIS HIS A . n 
A 1 190 GLU 190 397 397 GLU GLU A . n 
A 1 191 ALA 191 398 398 ALA ALA A . n 
A 1 192 LEU 192 399 399 LEU LEU A . n 
A 1 193 GLN 193 400 400 GLN GLN A . n 
A 1 194 ASP 194 401 401 ASP ASP A . n 
A 1 195 TYR 195 402 402 TYR TYR A . n 
A 1 196 GLU 196 403 403 GLU GLU A . n 
A 1 197 ALA 197 404 404 ALA ALA A . n 
A 1 198 GLY 198 405 405 GLY GLY A . n 
A 1 199 GLN 199 406 406 GLN GLN A . n 
A 1 200 HIS 200 407 407 HIS HIS A . n 
A 1 201 MET 201 408 408 MET MET A . n 
A 1 202 GLU 202 409 409 GLU GLU A . n 
A 1 203 ASP 203 410 410 ASP ASP A . n 
A 1 204 PRO 204 411 411 PRO PRO A . n 
A 1 205 ARG 205 412 412 ARG ARG A . n 
A 1 206 ARG 206 413 413 ARG ARG A . n 
A 1 207 ALA 207 414 414 ALA ALA A . n 
A 1 208 GLY 208 415 415 GLY GLY A . n 
A 1 209 LYS 209 416 416 LYS LYS A . n 
A 1 210 MET 210 417 417 MET MET A . n 
A 1 211 LEU 211 418 418 LEU LEU A . n 
A 1 212 MET 212 419 419 MET MET A . n 
A 1 213 THR 213 420 420 THR THR A . n 
A 1 214 LEU 214 421 421 LEU LEU A . n 
A 1 215 PRO 215 422 422 PRO PRO A . n 
A 1 216 LEU 216 423 423 LEU LEU A . n 
A 1 217 LEU 217 424 424 LEU LEU A . n 
A 1 218 ARG 218 425 425 ARG ARG A . n 
A 1 219 GLN 219 426 426 GLN GLN A . n 
A 1 220 THR 220 427 427 THR THR A . n 
A 1 221 SER 221 428 428 SER SER A . n 
A 1 222 THR 222 429 429 THR THR A . n 
A 1 223 LYS 223 430 430 LYS LYS A . n 
A 1 224 ALA 224 431 431 ALA ALA A . n 
A 1 225 VAL 225 432 432 VAL VAL A . n 
A 1 226 GLN 226 433 433 GLN GLN A . n 
A 1 227 HIS 227 434 434 HIS HIS A . n 
A 1 228 PHE 228 435 435 PHE PHE A . n 
A 1 229 TYR 229 436 436 TYR TYR A . n 
A 1 230 ASN 230 437 437 ASN ASN A . n 
A 1 231 ILE 231 438 438 ILE ILE A . n 
A 1 232 LYS 232 439 439 LYS LYS A . n 
A 1 233 LEU 233 440 440 LEU LEU A . n 
A 1 234 GLU 234 441 441 GLU GLU A . n 
A 1 235 GLY 235 442 442 GLY GLY A . n 
A 1 236 LYS 236 443 443 LYS LYS A . n 
A 1 237 VAL 237 444 444 VAL VAL A . n 
A 1 238 PRO 238 445 445 PRO PRO A . n 
A 1 239 MET 239 446 446 MET MET A . n 
A 1 240 HIS 240 447 447 HIS HIS A . n 
A 1 241 LYS 241 448 448 LYS LYS A . n 
A 1 242 LEU 242 449 449 LEU LEU A . n 
A 1 243 PHE 243 450 450 PHE PHE A . n 
A 1 244 LEU 244 451 451 LEU LEU A . n 
A 1 245 GLU 245 452 452 GLU GLU A . n 
A 1 246 MET 246 453 453 MET MET A . n 
A 1 247 LEU 247 454 454 LEU LEU A . n 
A 1 248 GLU 248 455 455 GLU GLU A . n 
A 1 249 ALA 249 456 456 ALA ALA A . n 
A 1 250 LYS 250 457 457 LYS LYS A . n 
A 1 251 VAL 251 458 ?   ?   ?   A . n 
B 2 1   ASN 1   376 ?   ?   ?   C . n 
B 2 2   ASN 2   377 377 ASN ASN C . n 
B 2 3   SER 3   378 378 SER SER C . n 
B 2 4   LEU 4   379 379 LEU LEU C . n 
B 2 5   LEU 5   380 380 LEU LEU C . n 
B 2 6   LEU 6   381 381 LEU LEU C . n 
B 2 7   HIS 7   382 382 HIS HIS C . n 
B 2 8   LEU 8   383 383 LEU LEU C . n 
B 2 9   LEU 9   384 384 LEU LEU C . n 
B 2 10  LYS 10  385 385 LYS LYS C . n 
B 2 11  SER 11  386 386 SER SER C . n 
B 2 12  GLN 12  387 387 GLN GLN C . n 
B 2 13  THR 13  388 ?   ?   ?   C . n 
B 2 14  ILE 14  389 ?   ?   ?   C . n 
B 2 15  PRO 15  390 ?   ?   ?   C . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1EF8 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1EF8 
_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 
C 3 A1EF8 1  501 501  A1EF8 W6N A . 
D 4 PGR   1  502 1202 PGR   PGR A . 
E 4 PGR   1  503 1203 PGR   PGR A . 
F 4 PGR   1  504 1204 PGR   PGR A . 
G 4 PGR   1  505 1205 PGR   PGR A . 
H 4 PGR   1  506 1206 PGR   PGR A . 
I 4 PGR   1  507 1207 PGR   PGR A . 
J 5 HOH   1  601 56   HOH   HOH A . 
J 5 HOH   2  602 40   HOH   HOH A . 
J 5 HOH   3  603 26   HOH   HOH A . 
J 5 HOH   4  604 54   HOH   HOH A . 
J 5 HOH   5  605 42   HOH   HOH A . 
J 5 HOH   6  606 28   HOH   HOH A . 
J 5 HOH   7  607 2    HOH   HOH A . 
J 5 HOH   8  608 58   HOH   HOH A . 
J 5 HOH   9  609 59   HOH   HOH A . 
J 5 HOH   10 610 23   HOH   HOH A . 
J 5 HOH   11 611 36   HOH   HOH A . 
J 5 HOH   12 612 9    HOH   HOH A . 
J 5 HOH   13 613 30   HOH   HOH A . 
J 5 HOH   14 614 34   HOH   HOH A . 
J 5 HOH   15 615 33   HOH   HOH A . 
J 5 HOH   16 616 32   HOH   HOH A . 
J 5 HOH   17 617 35   HOH   HOH A . 
J 5 HOH   18 618 27   HOH   HOH A . 
J 5 HOH   19 619 21   HOH   HOH A . 
J 5 HOH   20 620 18   HOH   HOH A . 
J 5 HOH   21 621 31   HOH   HOH A . 
J 5 HOH   22 622 16   HOH   HOH A . 
J 5 HOH   23 623 11   HOH   HOH A . 
J 5 HOH   24 624 38   HOH   HOH A . 
J 5 HOH   25 625 4    HOH   HOH A . 
J 5 HOH   26 626 19   HOH   HOH A . 
J 5 HOH   27 627 1    HOH   HOH A . 
J 5 HOH   28 628 22   HOH   HOH A . 
J 5 HOH   29 629 39   HOH   HOH A . 
J 5 HOH   30 630 3    HOH   HOH A . 
J 5 HOH   31 631 63   HOH   HOH A . 
J 5 HOH   32 632 13   HOH   HOH A . 
J 5 HOH   33 633 57   HOH   HOH A . 
J 5 HOH   34 634 12   HOH   HOH A . 
J 5 HOH   35 635 41   HOH   HOH A . 
J 5 HOH   36 636 6    HOH   HOH A . 
J 5 HOH   37 637 14   HOH   HOH A . 
J 5 HOH   38 638 25   HOH   HOH A . 
J 5 HOH   39 639 17   HOH   HOH A . 
J 5 HOH   40 640 24   HOH   HOH A . 
J 5 HOH   41 641 37   HOH   HOH A . 
J 5 HOH   42 642 10   HOH   HOH A . 
J 5 HOH   43 643 5    HOH   HOH A . 
J 5 HOH   44 644 7    HOH   HOH A . 
J 5 HOH   45 645 8    HOH   HOH A . 
J 5 HOH   46 646 61   HOH   HOH A . 
J 5 HOH   47 647 45   HOH   HOH A . 
J 5 HOH   48 648 20   HOH   HOH A . 
J 5 HOH   49 649 15   HOH   HOH A . 
J 5 HOH   50 650 53   HOH   HOH A . 
J 5 HOH   51 651 48   HOH   HOH A . 
J 5 HOH   52 652 49   HOH   HOH A . 
J 5 HOH   53 653 55   HOH   HOH A . 
J 5 HOH   54 654 62   HOH   HOH A . 
J 5 HOH   55 655 44   HOH   HOH A . 
J 5 HOH   56 656 29   HOH   HOH A . 
J 5 HOH   57 657 46   HOH   HOH A . 
J 5 HOH   58 658 47   HOH   HOH A . 
J 5 HOH   59 659 60   HOH   HOH A . 
J 5 HOH   60 660 64   HOH   HOH A . 
J 5 HOH   61 661 51   HOH   HOH A . 
J 5 HOH   62 662 50   HOH   HOH A . 
J 5 HOH   63 663 52   HOH   HOH A . 
J 5 HOH   64 664 43   HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0258 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9KNC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     64.290 
_cell.length_a_esd                 ? 
_cell.length_b                     64.290 
_cell.length_b_esd                 ? 
_cell.length_c                     132.868 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9KNC 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9KNC 
_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             2.28 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.10 
_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    '30%(w/v) PEG 5000 MME 0.1M Tris 8.0 0.2M lithium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_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' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2015-06-22 
_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   0.97853 
_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                        'SSRF BEAMLINE BL19U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97853 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL19U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9KNC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.90 
_reflns.d_resolution_low                               64.29 
_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                                     22769 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                24.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.90 
_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                                0.144 
_reflns.pdbx_Rpim_I_all                                0.029 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       547757 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.141 
_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                                    1.90 
_reflns_shell.d_res_low                                     1.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           36505 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1431 
_reflns_shell.percent_possible_obs                          99.9 
_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                               25.5 
_reflns_shell.pdbx_chi_squared                              0.55 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     4.6 
_reflns_shell.pdbx_Rrim_I_all                               2.170 
_reflns_shell.pdbx_Rpim_I_all                               0.432 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.872 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  2.125 
_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]                            -0.93 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -0.93 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            1.87 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               31.726 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.958 
_refine.correlation_coeff_Fo_to_Fc_free          0.943 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE 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                                 9KNC 
_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                            1.90 
_refine.ls_d_res_low                             46.24 
_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                     21610 
_refine.ls_number_reflns_R_free                  1088 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.83 
_refine.ls_percent_reflns_R_free                 4.8 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.19297 
_refine.ls_R_factor_R_free                       0.23202 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.19097 
_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 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.142 
_refine.pdbx_overall_ESU_R_Free                  0.137 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                             3.240 
_refine.overall_SU_ML                            0.095 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.90 
_refine_hist.d_res_low                        46.24 
_refine_hist.number_atoms_solvent             64 
_refine_hist.number_atoms_total               1983 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1877 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         42 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.013  1970 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.017  1921 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.634  1.640  2660 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.400  1.582  4474 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.361  5.000  242  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 30.467 25.114 88   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 15.359 15.000 377  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 19.581 15.000 5    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  260  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  2105 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  346  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 2.864  2.984  950  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.864  2.978  949  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 3.818  4.452  1186 ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.818  4.458  1187 ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 4.356  3.645  1020 ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 4.360  3.637  1018 ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 6.619  5.220  1470 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 7.807  35.619 2194 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 7.806  35.601 2188 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.900 
_refine_ls_shell.d_res_low                        1.949 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             72 
_refine_ls_shell.number_reflns_R_work             1563 
_refine_ls_shell.percent_reflns_obs               99.63 
_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                  0.240 
_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   20 
_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                  0.308 
# 
_struct.entry_id                     9KNC 
_struct.title                        'Crystal structure of human ERRg LBD in complex with 6-nitroindole' 
_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        9KNC 
_struct_keywords.text            'EsRRG, LBD, nuclear receptor, complex structure, TRANSCRIPTION' 
_struct_keywords.pdbx_keywords   TRANSCRIPTION 
# 
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 4 ? 
E N N 4 ? 
F N N 4 ? 
G N N 4 ? 
H N N 4 ? 
I N N 4 ? 
J N N 5 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP ERR3_HUMAN  P62508 ? 1 
;PAKKPYNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIPGFSTLSLADQMSLLQSAWMEI
LILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMHIEDVEAV
QKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMHKLFLEMLEAKV
;
229 
2 UNP NRIP1_HUMAN P48552 ? 2 NNSLLLHLLKSQTIP 376 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9KNC A 22 ? 251 ? P62508 229 ? 458 ? 229 458 
2 2 9KNC C 1  ? 15  ? P48552 376 ? 390 ? 376 390 
# 
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 9KNC MET A 1  ? UNP P62508 ? ? 'initiating methionine' 208 1  
1 9KNC GLY A 2  ? UNP P62508 ? ? 'expression tag'        209 2  
1 9KNC SER A 3  ? UNP P62508 ? ? 'expression tag'        210 3  
1 9KNC SER A 4  ? UNP P62508 ? ? 'expression tag'        211 4  
1 9KNC HIS A 5  ? UNP P62508 ? ? 'expression tag'        212 5  
1 9KNC HIS A 6  ? UNP P62508 ? ? 'expression tag'        213 6  
1 9KNC HIS A 7  ? UNP P62508 ? ? 'expression tag'        214 7  
1 9KNC HIS A 8  ? UNP P62508 ? ? 'expression tag'        215 8  
1 9KNC HIS A 9  ? UNP P62508 ? ? 'expression tag'        216 9  
1 9KNC HIS A 10 ? UNP P62508 ? ? 'expression tag'        217 10 
1 9KNC SER A 11 ? UNP P62508 ? ? 'expression tag'        218 11 
1 9KNC SER A 12 ? UNP P62508 ? ? 'expression tag'        219 12 
1 9KNC GLY A 13 ? UNP P62508 ? ? 'expression tag'        220 13 
1 9KNC LEU A 14 ? UNP P62508 ? ? 'expression tag'        221 14 
1 9KNC VAL A 15 ? UNP P62508 ? ? 'expression tag'        222 15 
1 9KNC PRO A 16 ? UNP P62508 ? ? 'expression tag'        223 16 
1 9KNC ARG A 17 ? UNP P62508 ? ? 'expression tag'        224 17 
1 9KNC GLY A 18 ? UNP P62508 ? ? 'expression tag'        225 18 
1 9KNC SER A 19 ? UNP P62508 ? ? 'expression tag'        226 19 
1 9KNC HIS A 20 ? UNP P62508 ? ? 'expression tag'        227 20 
1 9KNC MET A 21 ? UNP P62508 ? ? 'expression tag'        228 21 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 6540  ? 
1 MORE         -2    ? 
1 'SSA (A^2)'  21410 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_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' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 ASN A 28  ? ALA A 37  ? ASN A 235 ALA A 244 1 ? 10 
HELX_P HELX_P2  AA2 SER A 53  ? LYS A 77  ? SER A 260 LYS A 284 1 ? 25 
HELX_P HELX_P3  AA3 GLY A 81  ? LEU A 85  ? GLY A 288 LEU A 292 5 ? 5  
HELX_P HELX_P4  AA4 SER A 86  ? SER A 110 ? SER A 293 SER A 317 1 ? 25 
HELX_P HELX_P5  AA5 ASP A 126 ? GLY A 134 ? ASP A 333 GLY A 341 1 ? 9  
HELX_P HELX_P6  AA6 LEU A 135 ? MET A 152 ? LEU A 342 MET A 359 1 ? 18 
HELX_P HELX_P7  AA7 GLU A 155 ? ASN A 169 ? GLU A 362 ASN A 376 1 ? 15 
HELX_P HELX_P8  AA8 ASP A 177 ? HIS A 200 ? ASP A 384 HIS A 407 1 ? 24 
HELX_P HELX_P9  AA9 ARG A 205 ? MET A 212 ? ARG A 412 MET A 419 1 ? 8  
HELX_P HELX_P10 AB1 THR A 213 ? GLY A 235 ? THR A 420 GLY A 442 1 ? 23 
HELX_P HELX_P11 AB2 HIS A 240 ? ALA A 249 ? HIS A 447 ALA A 456 1 ? 10 
HELX_P HELX_P12 AB3 SER B 3   ? SER B 11  ? SER C 378 SER C 386 1 ? 9  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     AA1 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        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 LEU A 117 ? ALA A 120 ? LEU A 324 ALA A 327 
AA1 2 TYR A 123 ? MET A 125 ? TYR A 330 MET A 332 
# 
_pdbx_struct_sheet_hbond.sheet_id                AA1 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   LEU 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    117 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    LEU 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     324 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   MET 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    125 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    MET 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     332 
# 
_pdbx_entry_details.entry_id                   9KNC 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   ND2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   ASN 
_pdbx_validate_close_contact.auth_seq_id_1    235 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    601 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.76 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN A 235 ? ? -33.26  130.48 
2 1 TYR A 330 ? ? -153.52 81.34  
3 1 ASN A 376 ? ? -99.09  35.12  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     608 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   J 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 A MET 208 ? A MET 1   
2  1 Y 1 A GLY 209 ? A GLY 2   
3  1 Y 1 A SER 210 ? A SER 3   
4  1 Y 1 A SER 211 ? A SER 4   
5  1 Y 1 A HIS 212 ? A HIS 5   
6  1 Y 1 A HIS 213 ? A HIS 6   
7  1 Y 1 A HIS 214 ? A HIS 7   
8  1 Y 1 A HIS 215 ? A HIS 8   
9  1 Y 1 A HIS 216 ? A HIS 9   
10 1 Y 1 A HIS 217 ? A HIS 10  
11 1 Y 1 A SER 218 ? A SER 11  
12 1 Y 1 A SER 219 ? A SER 12  
13 1 Y 1 A GLY 220 ? A GLY 13  
14 1 Y 1 A LEU 221 ? A LEU 14  
15 1 Y 1 A VAL 222 ? A VAL 15  
16 1 Y 1 A PRO 223 ? A PRO 16  
17 1 Y 1 A ARG 224 ? A ARG 17  
18 1 Y 1 A GLY 225 ? A GLY 18  
19 1 Y 1 A SER 226 ? A SER 19  
20 1 Y 1 A HIS 227 ? A HIS 20  
21 1 Y 1 A MET 228 ? A MET 21  
22 1 Y 1 A PRO 229 ? A PRO 22  
23 1 Y 1 A ALA 230 ? A ALA 23  
24 1 Y 1 A LYS 231 ? A LYS 24  
25 1 Y 1 A LYS 232 ? A LYS 25  
26 1 Y 1 A VAL 458 ? A VAL 251 
27 1 Y 1 C ASN 376 ? B ASN 1   
28 1 Y 1 C THR 388 ? B THR 13  
29 1 Y 1 C ILE 389 ? B ILE 14  
30 1 Y 1 C PRO 390 ? B PRO 15  
# 
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 
A1EF8 C8   C Y N 1   
A1EF8 O1   O N N 2   
A1EF8 N2   N N N 3   
A1EF8 O2   O N N 4   
A1EF8 C6   C Y N 5   
A1EF8 C3   C Y N 6   
A1EF8 C1   C Y N 7   
A1EF8 N1   N Y N 8   
A1EF8 C5   C Y N 9   
A1EF8 C2   C Y N 10  
A1EF8 C4   C Y N 11  
A1EF8 C7   C Y N 12  
A1EF8 H1   H N N 13  
A1EF8 H2   H N N 14  
A1EF8 H3   H N N 15  
A1EF8 H4   H N N 16  
A1EF8 H5   H N N 17  
A1EF8 H6   H N N 18  
ALA   N    N N N 19  
ALA   CA   C N S 20  
ALA   C    C N N 21  
ALA   O    O N N 22  
ALA   CB   C N N 23  
ALA   OXT  O N N 24  
ALA   H    H N N 25  
ALA   H2   H N N 26  
ALA   HA   H N N 27  
ALA   HB1  H N N 28  
ALA   HB2  H N N 29  
ALA   HB3  H N N 30  
ALA   HXT  H N N 31  
ARG   N    N N N 32  
ARG   CA   C N S 33  
ARG   C    C N N 34  
ARG   O    O N N 35  
ARG   CB   C N N 36  
ARG   CG   C N N 37  
ARG   CD   C N N 38  
ARG   NE   N N N 39  
ARG   CZ   C N N 40  
ARG   NH1  N N N 41  
ARG   NH2  N N N 42  
ARG   OXT  O N N 43  
ARG   H    H N N 44  
ARG   H2   H N N 45  
ARG   HA   H N N 46  
ARG   HB2  H N N 47  
ARG   HB3  H N N 48  
ARG   HG2  H N N 49  
ARG   HG3  H N N 50  
ARG   HD2  H N N 51  
ARG   HD3  H N N 52  
ARG   HE   H N N 53  
ARG   HH11 H N N 54  
ARG   HH12 H N N 55  
ARG   HH21 H N N 56  
ARG   HH22 H N N 57  
ARG   HXT  H N N 58  
ASN   N    N N N 59  
ASN   CA   C N S 60  
ASN   C    C N N 61  
ASN   O    O N N 62  
ASN   CB   C N N 63  
ASN   CG   C N N 64  
ASN   OD1  O N N 65  
ASN   ND2  N N N 66  
ASN   OXT  O N N 67  
ASN   H    H N N 68  
ASN   H2   H N N 69  
ASN   HA   H N N 70  
ASN   HB2  H N N 71  
ASN   HB3  H N N 72  
ASN   HD21 H N N 73  
ASN   HD22 H N N 74  
ASN   HXT  H N N 75  
ASP   N    N N N 76  
ASP   CA   C N S 77  
ASP   C    C N N 78  
ASP   O    O N N 79  
ASP   CB   C N N 80  
ASP   CG   C N N 81  
ASP   OD1  O N N 82  
ASP   OD2  O N N 83  
ASP   OXT  O N N 84  
ASP   H    H N N 85  
ASP   H2   H N N 86  
ASP   HA   H N N 87  
ASP   HB2  H N N 88  
ASP   HB3  H N N 89  
ASP   HD2  H N N 90  
ASP   HXT  H N N 91  
CYS   N    N N N 92  
CYS   CA   C N R 93  
CYS   C    C N N 94  
CYS   O    O N N 95  
CYS   CB   C N N 96  
CYS   SG   S N N 97  
CYS   OXT  O N N 98  
CYS   H    H N N 99  
CYS   H2   H N N 100 
CYS   HA   H N N 101 
CYS   HB2  H N N 102 
CYS   HB3  H N N 103 
CYS   HG   H N N 104 
CYS   HXT  H N N 105 
GLN   N    N N N 106 
GLN   CA   C N S 107 
GLN   C    C N N 108 
GLN   O    O N N 109 
GLN   CB   C N N 110 
GLN   CG   C N N 111 
GLN   CD   C N N 112 
GLN   OE1  O N N 113 
GLN   NE2  N N N 114 
GLN   OXT  O N N 115 
GLN   H    H N N 116 
GLN   H2   H N N 117 
GLN   HA   H N N 118 
GLN   HB2  H N N 119 
GLN   HB3  H N N 120 
GLN   HG2  H N N 121 
GLN   HG3  H N N 122 
GLN   HE21 H N N 123 
GLN   HE22 H N N 124 
GLN   HXT  H N N 125 
GLU   N    N N N 126 
GLU   CA   C N S 127 
GLU   C    C N N 128 
GLU   O    O N N 129 
GLU   CB   C N N 130 
GLU   CG   C N N 131 
GLU   CD   C N N 132 
GLU   OE1  O N N 133 
GLU   OE2  O N N 134 
GLU   OXT  O N N 135 
GLU   H    H N N 136 
GLU   H2   H N N 137 
GLU   HA   H N N 138 
GLU   HB2  H N N 139 
GLU   HB3  H N N 140 
GLU   HG2  H N N 141 
GLU   HG3  H N N 142 
GLU   HE2  H N N 143 
GLU   HXT  H N N 144 
GLY   N    N N N 145 
GLY   CA   C N N 146 
GLY   C    C N N 147 
GLY   O    O N N 148 
GLY   OXT  O N N 149 
GLY   H    H N N 150 
GLY   H2   H N N 151 
GLY   HA2  H N N 152 
GLY   HA3  H N N 153 
GLY   HXT  H N N 154 
HIS   N    N N N 155 
HIS   CA   C N S 156 
HIS   C    C N N 157 
HIS   O    O N N 158 
HIS   CB   C N N 159 
HIS   CG   C Y N 160 
HIS   ND1  N Y N 161 
HIS   CD2  C Y N 162 
HIS   CE1  C Y N 163 
HIS   NE2  N Y N 164 
HIS   OXT  O N N 165 
HIS   H    H N N 166 
HIS   H2   H N N 167 
HIS   HA   H N N 168 
HIS   HB2  H N N 169 
HIS   HB3  H N N 170 
HIS   HD1  H N N 171 
HIS   HD2  H N N 172 
HIS   HE1  H N N 173 
HIS   HE2  H N N 174 
HIS   HXT  H N N 175 
HOH   O    O N N 176 
HOH   H1   H N N 177 
HOH   H2   H N N 178 
ILE   N    N N N 179 
ILE   CA   C N S 180 
ILE   C    C N N 181 
ILE   O    O N N 182 
ILE   CB   C N S 183 
ILE   CG1  C N N 184 
ILE   CG2  C N N 185 
ILE   CD1  C N N 186 
ILE   OXT  O N N 187 
ILE   H    H N N 188 
ILE   H2   H N N 189 
ILE   HA   H N N 190 
ILE   HB   H N N 191 
ILE   HG12 H N N 192 
ILE   HG13 H N N 193 
ILE   HG21 H N N 194 
ILE   HG22 H N N 195 
ILE   HG23 H N N 196 
ILE   HD11 H N N 197 
ILE   HD12 H N N 198 
ILE   HD13 H N N 199 
ILE   HXT  H N N 200 
LEU   N    N N N 201 
LEU   CA   C N S 202 
LEU   C    C N N 203 
LEU   O    O N N 204 
LEU   CB   C N N 205 
LEU   CG   C N N 206 
LEU   CD1  C N N 207 
LEU   CD2  C N N 208 
LEU   OXT  O N N 209 
LEU   H    H N N 210 
LEU   H2   H N N 211 
LEU   HA   H N N 212 
LEU   HB2  H N N 213 
LEU   HB3  H N N 214 
LEU   HG   H N N 215 
LEU   HD11 H N N 216 
LEU   HD12 H N N 217 
LEU   HD13 H N N 218 
LEU   HD21 H N N 219 
LEU   HD22 H N N 220 
LEU   HD23 H N N 221 
LEU   HXT  H N N 222 
LYS   N    N N N 223 
LYS   CA   C N S 224 
LYS   C    C N N 225 
LYS   O    O N N 226 
LYS   CB   C N N 227 
LYS   CG   C N N 228 
LYS   CD   C N N 229 
LYS   CE   C N N 230 
LYS   NZ   N N N 231 
LYS   OXT  O N N 232 
LYS   H    H N N 233 
LYS   H2   H N N 234 
LYS   HA   H N N 235 
LYS   HB2  H N N 236 
LYS   HB3  H N N 237 
LYS   HG2  H N N 238 
LYS   HG3  H N N 239 
LYS   HD2  H N N 240 
LYS   HD3  H N N 241 
LYS   HE2  H N N 242 
LYS   HE3  H N N 243 
LYS   HZ1  H N N 244 
LYS   HZ2  H N N 245 
LYS   HZ3  H N N 246 
LYS   HXT  H N N 247 
MET   N    N N N 248 
MET   CA   C N S 249 
MET   C    C N N 250 
MET   O    O N N 251 
MET   CB   C N N 252 
MET   CG   C N N 253 
MET   SD   S N N 254 
MET   CE   C N N 255 
MET   OXT  O N N 256 
MET   H    H N N 257 
MET   H2   H N N 258 
MET   HA   H N N 259 
MET   HB2  H N N 260 
MET   HB3  H N N 261 
MET   HG2  H N N 262 
MET   HG3  H N N 263 
MET   HE1  H N N 264 
MET   HE2  H N N 265 
MET   HE3  H N N 266 
MET   HXT  H N N 267 
PGR   C1   C N N 268 
PGR   C2   C N R 269 
PGR   C3   C N N 270 
PGR   O1   O N N 271 
PGR   O2   O N N 272 
PGR   H11  H N N 273 
PGR   H12  H N N 274 
PGR   H2   H N N 275 
PGR   H31  H N N 276 
PGR   H32  H N N 277 
PGR   H33  H N N 278 
PGR   HO1  H N N 279 
PGR   HO2  H N N 280 
PHE   N    N N N 281 
PHE   CA   C N S 282 
PHE   C    C N N 283 
PHE   O    O N N 284 
PHE   CB   C N N 285 
PHE   CG   C Y N 286 
PHE   CD1  C Y N 287 
PHE   CD2  C Y N 288 
PHE   CE1  C Y N 289 
PHE   CE2  C Y N 290 
PHE   CZ   C Y N 291 
PHE   OXT  O N N 292 
PHE   H    H N N 293 
PHE   H2   H N N 294 
PHE   HA   H N N 295 
PHE   HB2  H N N 296 
PHE   HB3  H N N 297 
PHE   HD1  H N N 298 
PHE   HD2  H N N 299 
PHE   HE1  H N N 300 
PHE   HE2  H N N 301 
PHE   HZ   H N N 302 
PHE   HXT  H N N 303 
PRO   N    N N N 304 
PRO   CA   C N S 305 
PRO   C    C N N 306 
PRO   O    O N N 307 
PRO   CB   C N N 308 
PRO   CG   C N N 309 
PRO   CD   C N N 310 
PRO   OXT  O N N 311 
PRO   H    H N N 312 
PRO   HA   H N N 313 
PRO   HB2  H N N 314 
PRO   HB3  H N N 315 
PRO   HG2  H N N 316 
PRO   HG3  H N N 317 
PRO   HD2  H N N 318 
PRO   HD3  H N N 319 
PRO   HXT  H N N 320 
SER   N    N N N 321 
SER   CA   C N S 322 
SER   C    C N N 323 
SER   O    O N N 324 
SER   CB   C N N 325 
SER   OG   O N N 326 
SER   OXT  O N N 327 
SER   H    H N N 328 
SER   H2   H N N 329 
SER   HA   H N N 330 
SER   HB2  H N N 331 
SER   HB3  H N N 332 
SER   HG   H N N 333 
SER   HXT  H N N 334 
THR   N    N N N 335 
THR   CA   C N S 336 
THR   C    C N N 337 
THR   O    O N N 338 
THR   CB   C N R 339 
THR   OG1  O N N 340 
THR   CG2  C N N 341 
THR   OXT  O N N 342 
THR   H    H N N 343 
THR   H2   H N N 344 
THR   HA   H N N 345 
THR   HB   H N N 346 
THR   HG1  H N N 347 
THR   HG21 H N N 348 
THR   HG22 H N N 349 
THR   HG23 H N N 350 
THR   HXT  H N N 351 
TRP   N    N N N 352 
TRP   CA   C N S 353 
TRP   C    C N N 354 
TRP   O    O N N 355 
TRP   CB   C N N 356 
TRP   CG   C Y N 357 
TRP   CD1  C Y N 358 
TRP   CD2  C Y N 359 
TRP   NE1  N Y N 360 
TRP   CE2  C Y N 361 
TRP   CE3  C Y N 362 
TRP   CZ2  C Y N 363 
TRP   CZ3  C Y N 364 
TRP   CH2  C Y N 365 
TRP   OXT  O N N 366 
TRP   H    H N N 367 
TRP   H2   H N N 368 
TRP   HA   H N N 369 
TRP   HB2  H N N 370 
TRP   HB3  H N N 371 
TRP   HD1  H N N 372 
TRP   HE1  H N N 373 
TRP   HE3  H N N 374 
TRP   HZ2  H N N 375 
TRP   HZ3  H N N 376 
TRP   HH2  H N N 377 
TRP   HXT  H N N 378 
TYR   N    N N N 379 
TYR   CA   C N S 380 
TYR   C    C N N 381 
TYR   O    O N N 382 
TYR   CB   C N N 383 
TYR   CG   C Y N 384 
TYR   CD1  C Y N 385 
TYR   CD2  C Y N 386 
TYR   CE1  C Y N 387 
TYR   CE2  C Y N 388 
TYR   CZ   C Y N 389 
TYR   OH   O N N 390 
TYR   OXT  O N N 391 
TYR   H    H N N 392 
TYR   H2   H N N 393 
TYR   HA   H N N 394 
TYR   HB2  H N N 395 
TYR   HB3  H N N 396 
TYR   HD1  H N N 397 
TYR   HD2  H N N 398 
TYR   HE1  H N N 399 
TYR   HE2  H N N 400 
TYR   HH   H N N 401 
TYR   HXT  H N N 402 
VAL   N    N N N 403 
VAL   CA   C N S 404 
VAL   C    C N N 405 
VAL   O    O N N 406 
VAL   CB   C N N 407 
VAL   CG1  C N N 408 
VAL   CG2  C N N 409 
VAL   OXT  O N N 410 
VAL   H    H N N 411 
VAL   H2   H N N 412 
VAL   HA   H N N 413 
VAL   HB   H N N 414 
VAL   HG11 H N N 415 
VAL   HG12 H N N 416 
VAL   HG13 H N N 417 
VAL   HG21 H N N 418 
VAL   HG22 H N N 419 
VAL   HG23 H N N 420 
VAL   HXT  H N N 421 
# 
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 
A1EF8 C5  C8   doub Y N 1   
A1EF8 C5  C2   sing Y N 2   
A1EF8 C8  N1   sing Y N 3   
A1EF8 C2  C4   doub Y N 4   
A1EF8 C2  C1   sing Y N 5   
A1EF8 N1  C1   sing Y N 6   
A1EF8 C4  C7   sing Y N 7   
A1EF8 C1  C3   doub Y N 8   
A1EF8 C7  C6   doub Y N 9   
A1EF8 C3  C6   sing Y N 10  
A1EF8 C6  N2   sing N N 11  
A1EF8 N2  O1   sing N N 12  
A1EF8 N2  O2   doub N N 13  
A1EF8 C8  H1   sing N N 14  
A1EF8 C3  H2   sing N N 15  
A1EF8 N1  H3   sing N N 16  
A1EF8 C5  H4   sing N N 17  
A1EF8 C4  H5   sing N N 18  
A1EF8 C7  H6   sing N N 19  
ALA   N   CA   sing N N 20  
ALA   N   H    sing N N 21  
ALA   N   H2   sing N N 22  
ALA   CA  C    sing N N 23  
ALA   CA  CB   sing N N 24  
ALA   CA  HA   sing N N 25  
ALA   C   O    doub N N 26  
ALA   C   OXT  sing N N 27  
ALA   CB  HB1  sing N N 28  
ALA   CB  HB2  sing N N 29  
ALA   CB  HB3  sing N N 30  
ALA   OXT HXT  sing N N 31  
ARG   N   CA   sing N N 32  
ARG   N   H    sing N N 33  
ARG   N   H2   sing N N 34  
ARG   CA  C    sing N N 35  
ARG   CA  CB   sing N N 36  
ARG   CA  HA   sing N N 37  
ARG   C   O    doub N N 38  
ARG   C   OXT  sing N N 39  
ARG   CB  CG   sing N N 40  
ARG   CB  HB2  sing N N 41  
ARG   CB  HB3  sing N N 42  
ARG   CG  CD   sing N N 43  
ARG   CG  HG2  sing N N 44  
ARG   CG  HG3  sing N N 45  
ARG   CD  NE   sing N N 46  
ARG   CD  HD2  sing N N 47  
ARG   CD  HD3  sing N N 48  
ARG   NE  CZ   sing N N 49  
ARG   NE  HE   sing N N 50  
ARG   CZ  NH1  sing N N 51  
ARG   CZ  NH2  doub N N 52  
ARG   NH1 HH11 sing N N 53  
ARG   NH1 HH12 sing N N 54  
ARG   NH2 HH21 sing N N 55  
ARG   NH2 HH22 sing N N 56  
ARG   OXT HXT  sing N N 57  
ASN   N   CA   sing N N 58  
ASN   N   H    sing N N 59  
ASN   N   H2   sing N N 60  
ASN   CA  C    sing N N 61  
ASN   CA  CB   sing N N 62  
ASN   CA  HA   sing N N 63  
ASN   C   O    doub N N 64  
ASN   C   OXT  sing N N 65  
ASN   CB  CG   sing N N 66  
ASN   CB  HB2  sing N N 67  
ASN   CB  HB3  sing N N 68  
ASN   CG  OD1  doub N N 69  
ASN   CG  ND2  sing N N 70  
ASN   ND2 HD21 sing N N 71  
ASN   ND2 HD22 sing N N 72  
ASN   OXT HXT  sing N N 73  
ASP   N   CA   sing N N 74  
ASP   N   H    sing N N 75  
ASP   N   H2   sing N N 76  
ASP   CA  C    sing N N 77  
ASP   CA  CB   sing N N 78  
ASP   CA  HA   sing N N 79  
ASP   C   O    doub N N 80  
ASP   C   OXT  sing N N 81  
ASP   CB  CG   sing N N 82  
ASP   CB  HB2  sing N N 83  
ASP   CB  HB3  sing N N 84  
ASP   CG  OD1  doub N N 85  
ASP   CG  OD2  sing N N 86  
ASP   OD2 HD2  sing N N 87  
ASP   OXT HXT  sing N N 88  
CYS   N   CA   sing N N 89  
CYS   N   H    sing N N 90  
CYS   N   H2   sing N N 91  
CYS   CA  C    sing N N 92  
CYS   CA  CB   sing N N 93  
CYS   CA  HA   sing N N 94  
CYS   C   O    doub N N 95  
CYS   C   OXT  sing N N 96  
CYS   CB  SG   sing N N 97  
CYS   CB  HB2  sing N N 98  
CYS   CB  HB3  sing N N 99  
CYS   SG  HG   sing N N 100 
CYS   OXT HXT  sing N N 101 
GLN   N   CA   sing N N 102 
GLN   N   H    sing N N 103 
GLN   N   H2   sing N N 104 
GLN   CA  C    sing N N 105 
GLN   CA  CB   sing N N 106 
GLN   CA  HA   sing N N 107 
GLN   C   O    doub N N 108 
GLN   C   OXT  sing N N 109 
GLN   CB  CG   sing N N 110 
GLN   CB  HB2  sing N N 111 
GLN   CB  HB3  sing N N 112 
GLN   CG  CD   sing N N 113 
GLN   CG  HG2  sing N N 114 
GLN   CG  HG3  sing N N 115 
GLN   CD  OE1  doub N N 116 
GLN   CD  NE2  sing N N 117 
GLN   NE2 HE21 sing N N 118 
GLN   NE2 HE22 sing N N 119 
GLN   OXT HXT  sing N N 120 
GLU   N   CA   sing N N 121 
GLU   N   H    sing N N 122 
GLU   N   H2   sing N N 123 
GLU   CA  C    sing N N 124 
GLU   CA  CB   sing N N 125 
GLU   CA  HA   sing N N 126 
GLU   C   O    doub N N 127 
GLU   C   OXT  sing N N 128 
GLU   CB  CG   sing N N 129 
GLU   CB  HB2  sing N N 130 
GLU   CB  HB3  sing N N 131 
GLU   CG  CD   sing N N 132 
GLU   CG  HG2  sing N N 133 
GLU   CG  HG3  sing N N 134 
GLU   CD  OE1  doub N N 135 
GLU   CD  OE2  sing N N 136 
GLU   OE2 HE2  sing N N 137 
GLU   OXT HXT  sing N N 138 
GLY   N   CA   sing N N 139 
GLY   N   H    sing N N 140 
GLY   N   H2   sing N N 141 
GLY   CA  C    sing N N 142 
GLY   CA  HA2  sing N N 143 
GLY   CA  HA3  sing N N 144 
GLY   C   O    doub N N 145 
GLY   C   OXT  sing N N 146 
GLY   OXT HXT  sing N N 147 
HIS   N   CA   sing N N 148 
HIS   N   H    sing N N 149 
HIS   N   H2   sing N N 150 
HIS   CA  C    sing N N 151 
HIS   CA  CB   sing N N 152 
HIS   CA  HA   sing N N 153 
HIS   C   O    doub N N 154 
HIS   C   OXT  sing N N 155 
HIS   CB  CG   sing N N 156 
HIS   CB  HB2  sing N N 157 
HIS   CB  HB3  sing N N 158 
HIS   CG  ND1  sing Y N 159 
HIS   CG  CD2  doub Y N 160 
HIS   ND1 CE1  doub Y N 161 
HIS   ND1 HD1  sing N N 162 
HIS   CD2 NE2  sing Y N 163 
HIS   CD2 HD2  sing N N 164 
HIS   CE1 NE2  sing Y N 165 
HIS   CE1 HE1  sing N N 166 
HIS   NE2 HE2  sing N N 167 
HIS   OXT HXT  sing N N 168 
HOH   O   H1   sing N N 169 
HOH   O   H2   sing N N 170 
ILE   N   CA   sing N N 171 
ILE   N   H    sing N N 172 
ILE   N   H2   sing N N 173 
ILE   CA  C    sing N N 174 
ILE   CA  CB   sing N N 175 
ILE   CA  HA   sing N N 176 
ILE   C   O    doub N N 177 
ILE   C   OXT  sing N N 178 
ILE   CB  CG1  sing N N 179 
ILE   CB  CG2  sing N N 180 
ILE   CB  HB   sing N N 181 
ILE   CG1 CD1  sing N N 182 
ILE   CG1 HG12 sing N N 183 
ILE   CG1 HG13 sing N N 184 
ILE   CG2 HG21 sing N N 185 
ILE   CG2 HG22 sing N N 186 
ILE   CG2 HG23 sing N N 187 
ILE   CD1 HD11 sing N N 188 
ILE   CD1 HD12 sing N N 189 
ILE   CD1 HD13 sing N N 190 
ILE   OXT HXT  sing N N 191 
LEU   N   CA   sing N N 192 
LEU   N   H    sing N N 193 
LEU   N   H2   sing N N 194 
LEU   CA  C    sing N N 195 
LEU   CA  CB   sing N N 196 
LEU   CA  HA   sing N N 197 
LEU   C   O    doub N N 198 
LEU   C   OXT  sing N N 199 
LEU   CB  CG   sing N N 200 
LEU   CB  HB2  sing N N 201 
LEU   CB  HB3  sing N N 202 
LEU   CG  CD1  sing N N 203 
LEU   CG  CD2  sing N N 204 
LEU   CG  HG   sing N N 205 
LEU   CD1 HD11 sing N N 206 
LEU   CD1 HD12 sing N N 207 
LEU   CD1 HD13 sing N N 208 
LEU   CD2 HD21 sing N N 209 
LEU   CD2 HD22 sing N N 210 
LEU   CD2 HD23 sing N N 211 
LEU   OXT HXT  sing N N 212 
LYS   N   CA   sing N N 213 
LYS   N   H    sing N N 214 
LYS   N   H2   sing N N 215 
LYS   CA  C    sing N N 216 
LYS   CA  CB   sing N N 217 
LYS   CA  HA   sing N N 218 
LYS   C   O    doub N N 219 
LYS   C   OXT  sing N N 220 
LYS   CB  CG   sing N N 221 
LYS   CB  HB2  sing N N 222 
LYS   CB  HB3  sing N N 223 
LYS   CG  CD   sing N N 224 
LYS   CG  HG2  sing N N 225 
LYS   CG  HG3  sing N N 226 
LYS   CD  CE   sing N N 227 
LYS   CD  HD2  sing N N 228 
LYS   CD  HD3  sing N N 229 
LYS   CE  NZ   sing N N 230 
LYS   CE  HE2  sing N N 231 
LYS   CE  HE3  sing N N 232 
LYS   NZ  HZ1  sing N N 233 
LYS   NZ  HZ2  sing N N 234 
LYS   NZ  HZ3  sing N N 235 
LYS   OXT HXT  sing N N 236 
MET   N   CA   sing N N 237 
MET   N   H    sing N N 238 
MET   N   H2   sing N N 239 
MET   CA  C    sing N N 240 
MET   CA  CB   sing N N 241 
MET   CA  HA   sing N N 242 
MET   C   O    doub N N 243 
MET   C   OXT  sing N N 244 
MET   CB  CG   sing N N 245 
MET   CB  HB2  sing N N 246 
MET   CB  HB3  sing N N 247 
MET   CG  SD   sing N N 248 
MET   CG  HG2  sing N N 249 
MET   CG  HG3  sing N N 250 
MET   SD  CE   sing N N 251 
MET   CE  HE1  sing N N 252 
MET   CE  HE2  sing N N 253 
MET   CE  HE3  sing N N 254 
MET   OXT HXT  sing N N 255 
PGR   C1  C2   sing N N 256 
PGR   C1  O1   sing N N 257 
PGR   C1  H11  sing N N 258 
PGR   C1  H12  sing N N 259 
PGR   C2  C3   sing N N 260 
PGR   C2  O2   sing N N 261 
PGR   C2  H2   sing N N 262 
PGR   C3  H31  sing N N 263 
PGR   C3  H32  sing N N 264 
PGR   C3  H33  sing N N 265 
PGR   O1  HO1  sing N N 266 
PGR   O2  HO2  sing N N 267 
PHE   N   CA   sing N N 268 
PHE   N   H    sing N N 269 
PHE   N   H2   sing N N 270 
PHE   CA  C    sing N N 271 
PHE   CA  CB   sing N N 272 
PHE   CA  HA   sing N N 273 
PHE   C   O    doub N N 274 
PHE   C   OXT  sing N N 275 
PHE   CB  CG   sing N N 276 
PHE   CB  HB2  sing N N 277 
PHE   CB  HB3  sing N N 278 
PHE   CG  CD1  doub Y N 279 
PHE   CG  CD2  sing Y N 280 
PHE   CD1 CE1  sing Y N 281 
PHE   CD1 HD1  sing N N 282 
PHE   CD2 CE2  doub Y N 283 
PHE   CD2 HD2  sing N N 284 
PHE   CE1 CZ   doub Y N 285 
PHE   CE1 HE1  sing N N 286 
PHE   CE2 CZ   sing Y N 287 
PHE   CE2 HE2  sing N N 288 
PHE   CZ  HZ   sing N N 289 
PHE   OXT HXT  sing N N 290 
PRO   N   CA   sing N N 291 
PRO   N   CD   sing N N 292 
PRO   N   H    sing N N 293 
PRO   CA  C    sing N N 294 
PRO   CA  CB   sing N N 295 
PRO   CA  HA   sing N N 296 
PRO   C   O    doub N N 297 
PRO   C   OXT  sing N N 298 
PRO   CB  CG   sing N N 299 
PRO   CB  HB2  sing N N 300 
PRO   CB  HB3  sing N N 301 
PRO   CG  CD   sing N N 302 
PRO   CG  HG2  sing N N 303 
PRO   CG  HG3  sing N N 304 
PRO   CD  HD2  sing N N 305 
PRO   CD  HD3  sing N N 306 
PRO   OXT HXT  sing N N 307 
SER   N   CA   sing N N 308 
SER   N   H    sing N N 309 
SER   N   H2   sing N N 310 
SER   CA  C    sing N N 311 
SER   CA  CB   sing N N 312 
SER   CA  HA   sing N N 313 
SER   C   O    doub N N 314 
SER   C   OXT  sing N N 315 
SER   CB  OG   sing N N 316 
SER   CB  HB2  sing N N 317 
SER   CB  HB3  sing N N 318 
SER   OG  HG   sing N N 319 
SER   OXT HXT  sing N N 320 
THR   N   CA   sing N N 321 
THR   N   H    sing N N 322 
THR   N   H2   sing N N 323 
THR   CA  C    sing N N 324 
THR   CA  CB   sing N N 325 
THR   CA  HA   sing N N 326 
THR   C   O    doub N N 327 
THR   C   OXT  sing N N 328 
THR   CB  OG1  sing N N 329 
THR   CB  CG2  sing N N 330 
THR   CB  HB   sing N N 331 
THR   OG1 HG1  sing N N 332 
THR   CG2 HG21 sing N N 333 
THR   CG2 HG22 sing N N 334 
THR   CG2 HG23 sing N N 335 
THR   OXT HXT  sing N N 336 
TRP   N   CA   sing N N 337 
TRP   N   H    sing N N 338 
TRP   N   H2   sing N N 339 
TRP   CA  C    sing N N 340 
TRP   CA  CB   sing N N 341 
TRP   CA  HA   sing N N 342 
TRP   C   O    doub N N 343 
TRP   C   OXT  sing N N 344 
TRP   CB  CG   sing N N 345 
TRP   CB  HB2  sing N N 346 
TRP   CB  HB3  sing N N 347 
TRP   CG  CD1  doub Y N 348 
TRP   CG  CD2  sing Y N 349 
TRP   CD1 NE1  sing Y N 350 
TRP   CD1 HD1  sing N N 351 
TRP   CD2 CE2  doub Y N 352 
TRP   CD2 CE3  sing Y N 353 
TRP   NE1 CE2  sing Y N 354 
TRP   NE1 HE1  sing N N 355 
TRP   CE2 CZ2  sing Y N 356 
TRP   CE3 CZ3  doub Y N 357 
TRP   CE3 HE3  sing N N 358 
TRP   CZ2 CH2  doub Y N 359 
TRP   CZ2 HZ2  sing N N 360 
TRP   CZ3 CH2  sing Y N 361 
TRP   CZ3 HZ3  sing N N 362 
TRP   CH2 HH2  sing N N 363 
TRP   OXT HXT  sing N N 364 
TYR   N   CA   sing N N 365 
TYR   N   H    sing N N 366 
TYR   N   H2   sing N N 367 
TYR   CA  C    sing N N 368 
TYR   CA  CB   sing N N 369 
TYR   CA  HA   sing N N 370 
TYR   C   O    doub N N 371 
TYR   C   OXT  sing N N 372 
TYR   CB  CG   sing N N 373 
TYR   CB  HB2  sing N N 374 
TYR   CB  HB3  sing N N 375 
TYR   CG  CD1  doub Y N 376 
TYR   CG  CD2  sing Y N 377 
TYR   CD1 CE1  sing Y N 378 
TYR   CD1 HD1  sing N N 379 
TYR   CD2 CE2  doub Y N 380 
TYR   CD2 HD2  sing N N 381 
TYR   CE1 CZ   doub Y N 382 
TYR   CE1 HE1  sing N N 383 
TYR   CE2 CZ   sing Y N 384 
TYR   CE2 HE2  sing N N 385 
TYR   CZ  OH   sing N N 386 
TYR   OH  HH   sing N N 387 
TYR   OXT HXT  sing N N 388 
VAL   N   CA   sing N N 389 
VAL   N   H    sing N N 390 
VAL   N   H2   sing N N 391 
VAL   CA  C    sing N N 392 
VAL   CA  CB   sing N N 393 
VAL   CA  HA   sing N N 394 
VAL   C   O    doub N N 395 
VAL   C   OXT  sing N N 396 
VAL   CB  CG1  sing N N 397 
VAL   CB  CG2  sing N N 398 
VAL   CB  HB   sing N N 399 
VAL   CG1 HG11 sing N N 400 
VAL   CG1 HG12 sing N N 401 
VAL   CG1 HG13 sing N N 402 
VAL   CG2 HG21 sing N N 403 
VAL   CG2 HG22 sing N N 404 
VAL   CG2 HG23 sing N N 405 
VAL   OXT HXT  sing N N 406 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2gpo 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9KNC 
_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]   0.015555 
_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]   0.015555 
_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]   0.007526 
_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 
C 
N 
O 
S 
# 
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   1    N N   . PRO   A 1 26  ? 3.754   28.941  -7.210  1.00 77.94 ? 233 PRO   A N   1 
ATOM   2    C CA  . PRO   A 1 26  ? 4.471   28.955  -8.512  1.00 80.79 ? 233 PRO   A CA  1 
ATOM   3    C C   . PRO   A 1 26  ? 5.509   27.817  -8.539  1.00 72.23 ? 233 PRO   A C   1 
ATOM   4    O O   . PRO   A 1 26  ? 6.605   28.005  -8.061  1.00 62.49 ? 233 PRO   A O   1 
ATOM   5    C CB  . PRO   A 1 26  ? 5.141   30.343  -8.646  1.00 81.86 ? 233 PRO   A CB  1 
ATOM   6    C CG  . PRO   A 1 26  ? 4.988   30.972  -7.273  1.00 85.02 ? 233 PRO   A CG  1 
ATOM   7    C CD  . PRO   A 1 26  ? 3.762   30.308  -6.670  1.00 84.38 ? 233 PRO   A CD  1 
ATOM   8    N N   . TYR   A 1 27  ? 5.133   26.661  -9.085  1.00 59.49 ? 234 TYR   A N   1 
ATOM   9    C CA  . TYR   A 1 27  ? 5.756   25.357  -8.744  1.00 50.00 ? 234 TYR   A CA  1 
ATOM   10   C C   . TYR   A 1 27  ? 5.971   24.508  -9.992  1.00 44.36 ? 234 TYR   A C   1 
ATOM   11   O O   . TYR   A 1 27  ? 5.781   24.977  -11.116 1.00 49.09 ? 234 TYR   A O   1 
ATOM   12   C CB  . TYR   A 1 27  ? 4.868   24.612  -7.745  1.00 53.55 ? 234 TYR   A CB  1 
ATOM   13   C CG  . TYR   A 1 27  ? 3.388   24.766  -7.996  1.00 52.66 ? 234 TYR   A CG  1 
ATOM   14   C CD1 . TYR   A 1 27  ? 2.712   23.914  -8.851  1.00 47.31 ? 234 TYR   A CD1 1 
ATOM   15   C CD2 . TYR   A 1 27  ? 2.663   25.766  -7.364  1.00 62.38 ? 234 TYR   A CD2 1 
ATOM   16   C CE1 . TYR   A 1 27  ? 1.354   24.051  -9.080  1.00 53.61 ? 234 TYR   A CE1 1 
ATOM   17   C CE2 . TYR   A 1 27  ? 1.303   25.915  -7.572  1.00 62.51 ? 234 TYR   A CE2 1 
ATOM   18   C CZ  . TYR   A 1 27  ? 0.647   25.051  -8.429  1.00 62.37 ? 234 TYR   A CZ  1 
ATOM   19   O OH  . TYR   A 1 27  ? -0.691  25.204  -8.623  1.00 69.87 ? 234 TYR   A OH  1 
ATOM   20   N N   . ASN   A 1 28  ? 6.436   23.297  -9.734  1.00 37.87 ? 235 ASN   A N   1 
ATOM   21   C CA  . ASN   A 1 28  ? 6.700   22.195  -10.666 1.00 35.60 ? 235 ASN   A CA  1 
ATOM   22   C C   . ASN   A 1 28  ? 5.705   22.189  -11.837 1.00 36.00 ? 235 ASN   A C   1 
ATOM   23   O O   . ASN   A 1 28  ? 4.471   22.253  -11.618 1.00 33.53 ? 235 ASN   A O   1 
ATOM   24   C CB  . ASN   A 1 28  ? 6.655   20.902  -9.861  1.00 33.75 ? 235 ASN   A CB  1 
ATOM   25   C CG  . ASN   A 1 28  ? 7.026   19.758  -10.749 1.00 35.75 ? 235 ASN   A CG  1 
ATOM   26   O OD1 . ASN   A 1 28  ? 6.157   19.196  -11.392 1.00 37.63 ? 235 ASN   A OD1 1 
ATOM   27   N ND2 . ASN   A 1 28  ? 8.309   19.468  -10.842 1.00 31.17 ? 235 ASN   A ND2 1 
ATOM   28   N N   . LYS   A 1 29  ? 6.212   22.098  -13.066 1.00 30.00 ? 236 LYS   A N   1 
ATOM   29   C CA  . LYS   A 1 29  ? 5.363   22.176  -14.275 1.00 27.40 ? 236 LYS   A CA  1 
ATOM   30   C C   . LYS   A 1 29  ? 4.495   20.927  -14.420 1.00 25.98 ? 236 LYS   A C   1 
ATOM   31   O O   . LYS   A 1 29  ? 3.394   21.065  -14.915 1.00 20.79 ? 236 LYS   A O   1 
ATOM   32   C CB  . LYS   A 1 29  ? 6.222   22.288  -15.532 1.00 32.15 ? 236 LYS   A CB  1 
ATOM   33   C CG  . LYS   A 1 29  ? 5.397   22.499  -16.780 1.00 32.28 ? 236 LYS   A CG  1 
ATOM   34   C CD  . LYS   A 1 29  ? 4.810   23.861  -16.845 1.00 33.69 ? 236 LYS   A CD  1 
ATOM   35   C CE  . LYS   A 1 29  ? 4.479   24.235  -18.270 1.00 37.81 ? 236 LYS   A CE  1 
ATOM   36   N NZ  . LYS   A 1 29  ? 3.266   25.060  -18.286 1.00 41.94 ? 236 LYS   A NZ  1 
ATOM   37   N N   . ILE   A 1 30  ? 4.969   19.731  -14.040 1.00 22.85 ? 237 ILE   A N   1 
ATOM   38   C CA  . ILE   A 1 30  ? 4.135   18.504  -14.182 1.00 24.37 ? 237 ILE   A CA  1 
ATOM   39   C C   . ILE   A 1 30  ? 2.940   18.673  -13.254 1.00 21.10 ? 237 ILE   A C   1 
ATOM   40   O O   . ILE   A 1 30  ? 1.849   18.343  -13.676 1.00 21.05 ? 237 ILE   A O   1 
ATOM   41   C CB  . ILE   A 1 30  ? 4.893   17.204  -13.876 1.00 29.70 ? 237 ILE   A CB  1 
ATOM   42   C CG1 . ILE   A 1 30  ? 5.864   16.821  -14.991 1.00 36.34 ? 237 ILE   A CG1 1 
ATOM   43   C CG2 . ILE   A 1 30  ? 3.934   16.067  -13.597 1.00 30.82 ? 237 ILE   A CG2 1 
ATOM   44   C CD1 . ILE   A 1 30  ? 7.068   16.128  -14.456 1.00 45.15 ? 237 ILE   A CD1 1 
ATOM   45   N N   . VAL   A 1 31  ? 3.157   19.202  -12.069 1.00 19.15 ? 238 VAL   A N   1 
ATOM   46   C CA  . VAL   A 1 31  ? 1.998   19.437  -11.148 1.00 24.40 ? 238 VAL   A CA  1 
ATOM   47   C C   . VAL   A 1 31  ? 0.993   20.406  -11.795 1.00 25.97 ? 238 VAL   A C   1 
ATOM   48   O O   . VAL   A 1 31  ? -0.245  20.142  -11.743 1.00 24.15 ? 238 VAL   A O   1 
ATOM   49   C CB  . VAL   A 1 31  ? 2.450   19.940  -9.782  1.00 24.37 ? 238 VAL   A CB  1 
ATOM   50   C CG1 . VAL   A 1 31  ? 1.248   20.240  -8.905  1.00 27.99 ? 238 VAL   A CG1 1 
ATOM   51   C CG2 . VAL   A 1 31  ? 3.344   18.923  -9.122  1.00 22.82 ? 238 VAL   A CG2 1 
ATOM   52   N N   . SER   A 1 32  ? 1.475   21.536  -12.294 1.00 23.71 ? 239 SER   A N   1 
ATOM   53   C CA  . SER   A 1 32  ? 0.673   22.547  -13.029 1.00 26.81 ? 239 SER   A CA  1 
ATOM   54   C C   . SER   A 1 32  ? -0.169  21.849  -14.085 1.00 22.10 ? 239 SER   A C   1 
ATOM   55   O O   . SER   A 1 32  ? -1.388  22.090  -14.166 1.00 24.25 ? 239 SER   A O   1 
ATOM   56   C CB  . SER   A 1 32  ? 1.560   23.613  -13.679 1.00 29.12 ? 239 SER   A CB  1 
ATOM   57   O OG  . SER   A 1 32  ? 1.931   24.543  -12.688 1.00 43.28 ? 239 SER   A OG  1 
ATOM   58   N N   . HIS   A 1 33  ? 0.459   21.013  -14.883 1.00 19.03 ? 240 HIS   A N   1 
ATOM   59   C CA  . HIS   A 1 33  ? -0.198  20.346  -16.000 1.00 22.13 ? 240 HIS   A CA  1 
ATOM   60   C C   . HIS   A 1 33  ? -1.287  19.401  -15.486 1.00 25.29 ? 240 HIS   A C   1 
ATOM   61   O O   . HIS   A 1 33  ? -2.390  19.375  -16.041 1.00 26.99 ? 240 HIS   A O   1 
ATOM   62   C CB  . HIS   A 1 33  ? 0.889   19.658  -16.771 1.00 20.89 ? 240 HIS   A CB  1 
ATOM   63   C CG  . HIS   A 1 33  ? 0.434   19.098  -18.054 1.00 25.28 ? 240 HIS   A CG  1 
ATOM   64   N ND1 . HIS   A 1 33  ? 0.295   19.898  -19.185 1.00 27.20 ? 240 HIS   A ND1 1 
ATOM   65   C CD2 . HIS   A 1 33  ? 0.107   17.840  -18.399 1.00 26.95 ? 240 HIS   A CD2 1 
ATOM   66   C CE1 . HIS   A 1 33  ? -0.112  19.119  -20.179 1.00 28.36 ? 240 HIS   A CE1 1 
ATOM   67   N NE2 . HIS   A 1 33  ? -0.234  17.855  -19.727 1.00 30.84 ? 240 HIS   A NE2 1 
ATOM   68   N N   . LEU   A 1 34  ? -0.953  18.545  -14.512 1.00 21.47 ? 241 LEU   A N   1 
ATOM   69   C CA  . LEU   A 1 34  ? -1.983  17.620  -13.948 1.00 21.15 ? 241 LEU   A CA  1 
ATOM   70   C C   . LEU   A 1 34  ? -3.160  18.426  -13.391 1.00 20.09 ? 241 LEU   A C   1 
ATOM   71   O O   . LEU   A 1 34  ? -4.292  17.933  -13.528 1.00 26.03 ? 241 LEU   A O   1 
ATOM   72   C CB  . LEU   A 1 34  ? -1.356  16.768  -12.847 1.00 21.02 ? 241 LEU   A CB  1 
ATOM   73   C CG  . LEU   A 1 34  ? -0.225  15.847  -13.267 1.00 23.40 ? 241 LEU   A CG  1 
ATOM   74   C CD1 . LEU   A 1 34  ? 0.335   15.092  -12.029 1.00 24.10 ? 241 LEU   A CD1 1 
ATOM   75   C CD2 . LEU   A 1 34  ? -0.684  14.868  -14.278 1.00 24.22 ? 241 LEU   A CD2 1 
ATOM   76   N N   . LEU   A 1 35  ? -2.936  19.613  -12.844 1.00 23.23 ? 242 LEU   A N   1 
ATOM   77   C CA  . LEU   A 1 35  ? -4.039  20.438  -12.294 1.00 25.09 ? 242 LEU   A CA  1 
ATOM   78   C C   . LEU   A 1 35  ? -4.945  20.835  -13.456 1.00 30.21 ? 242 LEU   A C   1 
ATOM   79   O O   . LEU   A 1 35  ? -6.184  20.745  -13.322 1.00 24.68 ? 242 LEU   A O   1 
ATOM   80   C CB  . LEU   A 1 35  ? -3.542  21.699  -11.606 1.00 29.92 ? 242 LEU   A CB  1 
ATOM   81   C CG  . LEU   A 1 35  ? -3.112  21.603  -10.149 1.00 35.98 ? 242 LEU   A CG  1 
ATOM   82   C CD1 . LEU   A 1 35  ? -2.476  22.932  -9.723  1.00 39.84 ? 242 LEU   A CD1 1 
ATOM   83   C CD2 . LEU   A 1 35  ? -4.283  21.262  -9.224  1.00 38.69 ? 242 LEU   A CD2 1 
ATOM   84   N N   . VAL   A 1 36  ? -4.379  21.335  -14.555 1.00 27.18 ? 243 VAL   A N   1 
ATOM   85   C CA  . VAL   A 1 36  ? -5.268  21.827  -15.651 1.00 30.85 ? 243 VAL   A CA  1 
ATOM   86   C C   . VAL   A 1 36  ? -5.842  20.612  -16.369 1.00 29.75 ? 243 VAL   A C   1 
ATOM   87   O O   . VAL   A 1 36  ? -6.880  20.761  -16.963 1.00 34.03 ? 243 VAL   A O   1 
ATOM   88   C CB  . VAL   A 1 36  ? -4.593  22.834  -16.617 1.00 34.33 ? 243 VAL   A CB  1 
ATOM   89   C CG1 . VAL   A 1 36  ? -4.170  24.106  -15.891 1.00 37.59 ? 243 VAL   A CG1 1 
ATOM   90   C CG2 . VAL   A 1 36  ? -3.427  22.237  -17.368 1.00 35.79 ? 243 VAL   A CG2 1 
ATOM   91   N N   . ALA   A 1 37  ? -5.235  19.430  -16.274 1.00 24.83 ? 244 ALA   A N   1 
ATOM   92   C CA  . ALA   A 1 37  ? -5.759  18.182  -16.872 1.00 28.42 ? 244 ALA   A CA  1 
ATOM   93   C C   . ALA   A 1 37  ? -6.893  17.565  -16.037 1.00 27.88 ? 244 ALA   A C   1 
ATOM   94   O O   . ALA   A 1 37  ? -7.462  16.567  -16.500 1.00 26.51 ? 244 ALA   A O   1 
ATOM   95   C CB  . ALA   A 1 37  ? -4.680  17.127  -16.977 1.00 32.64 ? 244 ALA   A CB  1 
ATOM   96   N N   . GLU   A 1 38  ? -7.110  18.038  -14.815 1.00 28.57 ? 245 GLU   A N   1 
ATOM   97   C CA  . GLU   A 1 38  ? -8.072  17.401  -13.882 1.00 31.09 ? 245 GLU   A CA  1 
ATOM   98   C C   . GLU   A 1 38  ? -9.461  17.501  -14.522 1.00 32.65 ? 245 GLU   A C   1 
ATOM   99   O O   . GLU   A 1 38  ? -9.903  18.574  -14.887 1.00 28.15 ? 245 GLU   A O   1 
ATOM   100  C CB  . GLU   A 1 38  ? -7.987  18.058  -12.509 1.00 34.16 ? 245 GLU   A CB  1 
ATOM   101  C CG  . GLU   A 1 38  ? -8.718  17.311  -11.390 1.00 37.07 ? 245 GLU   A CG  1 
ATOM   102  C CD  . GLU   A 1 38  ? -8.481  15.819  -11.232 1.00 40.09 ? 245 GLU   A CD  1 
ATOM   103  O OE1 . GLU   A 1 38  ? -7.372  15.335  -11.588 1.00 33.54 ? 245 GLU   A OE1 1 
ATOM   104  O OE2 . GLU   A 1 38  ? -9.427  15.115  -10.750 1.00 44.53 ? 245 GLU   A OE2 1 
ATOM   105  N N   . PRO   A 1 39  ? -10.193 16.393  -14.716 1.00 31.17 ? 246 PRO   A N   1 
ATOM   106  C CA  . PRO   A 1 39  ? -11.520 16.485  -15.327 1.00 34.38 ? 246 PRO   A CA  1 
ATOM   107  C C   . PRO   A 1 39  ? -12.584 17.193  -14.469 1.00 30.78 ? 246 PRO   A C   1 
ATOM   108  O O   . PRO   A 1 39  ? -12.484 17.279  -13.279 1.00 30.08 ? 246 PRO   A O   1 
ATOM   109  C CB  . PRO   A 1 39  ? -11.912 15.038  -15.638 1.00 35.80 ? 246 PRO   A CB  1 
ATOM   110  C CG  . PRO   A 1 39  ? -10.742 14.170  -15.207 1.00 35.88 ? 246 PRO   A CG  1 
ATOM   111  C CD  . PRO   A 1 39  ? -9.821  15.023  -14.363 1.00 33.19 ? 246 PRO   A CD  1 
ATOM   112  N N   . GLU   A 1 40  ? -13.602 17.710  -15.149 1.00 33.12 ? 247 GLU   A N   1 
ATOM   113  C CA  . GLU   A 1 40  ? -14.781 18.363  -14.544 1.00 35.73 ? 247 GLU   A CA  1 
ATOM   114  C C   . GLU   A 1 40  ? -15.588 17.297  -13.785 1.00 29.29 ? 247 GLU   A C   1 
ATOM   115  O O   . GLU   A 1 40  ? -15.544 16.130  -14.159 1.00 29.25 ? 247 GLU   A O   1 
ATOM   116  C CB  . GLU   A 1 40  ? -15.652 18.995  -15.630 1.00 41.85 ? 247 GLU   A CB  1 
ATOM   117  C CG  . GLU   A 1 40  ? -14.881 19.831  -16.649 1.00 51.08 ? 247 GLU   A CG  1 
ATOM   118  C CD  . GLU   A 1 40  ? -15.110 21.324  -16.561 1.00 57.48 ? 247 GLU   A CD  1 
ATOM   119  O OE1 . GLU   A 1 40  ? -15.338 21.816  -15.445 1.00 67.55 ? 247 GLU   A OE1 1 
ATOM   120  O OE2 . GLU   A 1 40  ? -15.061 21.990  -17.616 1.00 74.16 ? 247 GLU   A OE2 1 
ATOM   121  N N   . LYS   A 1 41  ? -16.292 17.717  -12.751 1.00 32.96 ? 248 LYS   A N   1 
ATOM   122  C CA  . LYS   A 1 41  ? -17.100 16.793  -11.912 1.00 34.91 ? 248 LYS   A CA  1 
ATOM   123  C C   . LYS   A 1 41  ? -18.200 16.192  -12.796 1.00 30.85 ? 248 LYS   A C   1 
ATOM   124  O O   . LYS   A 1 41  ? -18.633 16.854  -13.764 1.00 31.22 ? 248 LYS   A O   1 
ATOM   125  C CB  . LYS   A 1 41  ? -17.578 17.547  -10.670 1.00 39.85 ? 248 LYS   A CB  1 
ATOM   126  C CG  . LYS   A 1 41  ? -16.639 17.404  -9.473  1.00 47.89 ? 248 LYS   A CG  1 
ATOM   127  C CD  . LYS   A 1 41  ? -16.685 18.527  -8.447  1.00 51.84 ? 248 LYS   A CD  1 
ATOM   128  C CE  . LYS   A 1 41  ? -18.050 19.167  -8.335  1.00 57.37 ? 248 LYS   A CE  1 
ATOM   129  N NZ  . LYS   A 1 41  ? -18.132 20.114  -7.196  1.00 60.01 ? 248 LYS   A NZ  1 
ATOM   130  N N   . ILE   A 1 42  ? -18.634 14.963  -12.535 1.00 30.03 ? 249 ILE   A N   1 
ATOM   131  C CA  . ILE   A 1 42  ? -19.868 14.453  -13.188 1.00 30.66 ? 249 ILE   A CA  1 
ATOM   132  C C   . ILE   A 1 42  ? -20.917 14.173  -12.098 1.00 29.28 ? 249 ILE   A C   1 
ATOM   133  O O   . ILE   A 1 42  ? -20.580 13.988  -10.931 1.00 27.74 ? 249 ILE   A O   1 
ATOM   134  C CB  . ILE   A 1 42  ? -19.570 13.267  -14.114 1.00 36.21 ? 249 ILE   A CB  1 
ATOM   135  C CG1 . ILE   A 1 42  ? -19.339 11.977  -13.334 1.00 34.16 ? 249 ILE   A CG1 1 
ATOM   136  C CG2 . ILE   A 1 42  ? -18.404 13.597  -15.069 1.00 36.24 ? 249 ILE   A CG2 1 
ATOM   137  C CD1 . ILE   A 1 42  ? -18.956 10.821  -14.198 1.00 37.68 ? 249 ILE   A CD1 1 
ATOM   138  N N   . TYR   A 1 43  ? -22.179 14.275  -12.457 1.00 26.96 ? 250 TYR   A N   1 
ATOM   139  C CA  . TYR   A 1 43  ? -23.285 14.026  -11.512 1.00 26.43 ? 250 TYR   A CA  1 
ATOM   140  C C   . TYR   A 1 43  ? -23.682 12.555  -11.594 1.00 22.94 ? 250 TYR   A C   1 
ATOM   141  O O   . TYR   A 1 43  ? -23.556 11.861  -12.635 1.00 26.27 ? 250 TYR   A O   1 
ATOM   142  C CB  . TYR   A 1 43  ? -24.527 14.866  -11.833 1.00 33.26 ? 250 TYR   A CB  1 
ATOM   143  C CG  . TYR   A 1 43  ? -24.321 16.334  -12.072 1.00 42.18 ? 250 TYR   A CG  1 
ATOM   144  C CD1 . TYR   A 1 43  ? -24.188 17.228  -11.016 1.00 51.68 ? 250 TYR   A CD1 1 
ATOM   145  C CD2 . TYR   A 1 43  ? -24.378 16.841  -13.368 1.00 48.43 ? 250 TYR   A CD2 1 
ATOM   146  C CE1 . TYR   A 1 43  ? -24.064 18.593  -11.244 1.00 54.17 ? 250 TYR   A CE1 1 
ATOM   147  C CE2 . TYR   A 1 43  ? -24.251 18.200  -13.610 1.00 50.79 ? 250 TYR   A CE2 1 
ATOM   148  C CZ  . TYR   A 1 43  ? -24.078 19.076  -12.548 1.00 52.40 ? 250 TYR   A CZ  1 
ATOM   149  O OH  . TYR   A 1 43  ? -23.956 20.414  -12.804 1.00 55.82 ? 250 TYR   A OH  1 
ATOM   150  N N   . ALA   A 1 44  ? -24.122 12.047  -10.455 1.00 21.01 ? 251 ALA   A N   1 
ATOM   151  C CA  . ALA   A 1 44  ? -24.632 10.673  -10.323 1.00 21.89 ? 251 ALA   A CA  1 
ATOM   152  C C   . ALA   A 1 44  ? -25.999 10.534  -11.038 1.00 21.56 ? 251 ALA   A C   1 
ATOM   153  O O   . ALA   A 1 44  ? -26.244 9.516   -11.702 1.00 22.78 ? 251 ALA   A O   1 
ATOM   154  C CB  . ALA   A 1 44  ? -24.712 10.376  -8.841  1.00 24.06 ? 251 ALA   A CB  1 
ATOM   155  N N   . MET   A 1 45  ? -26.855 11.551  -10.942 1.00 23.74 ? 252 MET   A N   1 
ATOM   156  C CA  . MET   A 1 45  ? -28.233 11.546  -11.528 1.00 23.99 ? 252 MET   A CA  1 
ATOM   157  C C   . MET   A 1 45  ? -28.949 10.219  -11.256 1.00 23.70 ? 252 MET   A C   1 
ATOM   158  O O   . MET   A 1 45  ? -29.277 9.469   -12.172 1.00 24.65 ? 252 MET   A O   1 
ATOM   159  C CB  . MET   A 1 45  ? -28.150 11.823  -13.024 1.00 25.79 ? 252 MET   A CB  1 
ATOM   160  C CG  . MET   A 1 45  ? -27.805 13.267  -13.331 1.00 27.60 ? 252 MET   A CG  1 
ATOM   161  S SD  . MET   A 1 45  ? -27.553 13.434  -15.118 1.00 31.59 ? 252 MET   A SD  1 
ATOM   162  C CE  . MET   A 1 45  ? -25.875 12.834  -15.346 1.00 32.93 ? 252 MET   A CE  1 
ATOM   163  N N   . PRO   A 1 46  ? -29.176 9.866   -9.968  1.00 25.16 ? 253 PRO   A N   1 
ATOM   164  C CA  . PRO   A 1 46  ? -29.999 8.700   -9.620  1.00 26.26 ? 253 PRO   A CA  1 
ATOM   165  C C   . PRO   A 1 46  ? -31.413 8.883   -10.227 1.00 25.80 ? 253 PRO   A C   1 
ATOM   166  O O   . PRO   A 1 46  ? -31.887 10.017  -10.206 1.00 27.55 ? 253 PRO   A O   1 
ATOM   167  C CB  . PRO   A 1 46  ? -30.022 8.717   -8.094  1.00 27.98 ? 253 PRO   A CB  1 
ATOM   168  C CG  . PRO   A 1 46  ? -29.711 10.145  -7.714  1.00 28.63 ? 253 PRO   A CG  1 
ATOM   169  C CD  . PRO   A 1 46  ? -28.772 10.642  -8.796  1.00 26.74 ? 253 PRO   A CD  1 
ATOM   170  N N   . ASP   A 1 47  ? -31.912 7.854   -10.882 1.00 27.51 ? 254 ASP   A N   1 
ATOM   171  C CA  . ASP   A 1 47  ? -33.199 7.847   -11.635 1.00 32.23 ? 254 ASP   A CA  1 
ATOM   172  C C   . ASP   A 1 47  ? -34.329 8.190   -10.658 1.00 29.77 ? 254 ASP   A C   1 
ATOM   173  O O   . ASP   A 1 47  ? -34.561 7.457   -9.702  1.00 29.85 ? 254 ASP   A O   1 
ATOM   174  C CB  . ASP   A 1 47  ? -33.382 6.521   -12.366 1.00 33.27 ? 254 ASP   A CB  1 
ATOM   175  C CG  . ASP   A 1 47  ? -34.596 6.488   -13.292 1.00 33.65 ? 254 ASP   A CG  1 
ATOM   176  O OD1 . ASP   A 1 47  ? -35.516 7.249   -13.048 1.00 32.93 ? 254 ASP   A OD1 1 
ATOM   177  O OD2 . ASP   A 1 47  ? -34.560 5.763   -14.305 1.00 39.18 ? 254 ASP   A OD2 1 
ATOM   178  N N   . PRO   A 1 48  ? -34.980 9.367   -10.807 1.00 29.99 ? 255 PRO   A N   1 
ATOM   179  C CA  . PRO   A 1 48  ? -35.981 9.831   -9.843  1.00 30.25 ? 255 PRO   A CA  1 
ATOM   180  C C   . PRO   A 1 48  ? -37.307 9.071   -9.986  1.00 30.67 ? 255 PRO   A C   1 
ATOM   181  O O   . PRO   A 1 48  ? -38.189 9.327   -9.182  1.00 33.88 ? 255 PRO   A O   1 
ATOM   182  C CB  . PRO   A 1 48  ? -36.151 11.332  -10.163 1.00 32.27 ? 255 PRO   A CB  1 
ATOM   183  C CG  . PRO   A 1 48  ? -35.806 11.427  -11.645 1.00 32.52 ? 255 PRO   A CG  1 
ATOM   184  C CD  . PRO   A 1 48  ? -34.793 10.328  -11.911 1.00 32.47 ? 255 PRO   A CD  1 
ATOM   185  N N   . THR   A 1 49  ? -37.417 8.174   -10.954 1.00 29.49 ? 256 THR   A N   1 
ATOM   186  C CA  . THR   A 1 49  ? -38.638 7.356   -11.157 1.00 36.78 ? 256 THR   A CA  1 
ATOM   187  C C   . THR   A 1 49  ? -38.452 5.999   -10.483 1.00 35.30 ? 256 THR   A C   1 
ATOM   188  O O   . THR   A 1 49  ? -39.419 5.240   -10.427 1.00 32.29 ? 256 THR   A O   1 
ATOM   189  C CB  . THR   A 1 49  ? -39.002 7.229   -12.634 1.00 36.37 ? 256 THR   A CB  1 
ATOM   190  O OG1 . THR   A 1 49  ? -38.058 6.346   -13.219 1.00 38.69 ? 256 THR   A OG1 1 
ATOM   191  C CG2 . THR   A 1 49  ? -39.009 8.561   -13.352 1.00 40.99 ? 256 THR   A CG2 1 
ATOM   192  N N   . VAL   A 1 50  ? -37.266 5.721   -9.941  1.00 33.85 ? 257 VAL   A N   1 
ATOM   193  C CA  . VAL   A 1 50  ? -36.959 4.392   -9.338  1.00 33.88 ? 257 VAL   A CA  1 
ATOM   194  C C   . VAL   A 1 50  ? -37.031 4.511   -7.828  1.00 31.20 ? 257 VAL   A C   1 
ATOM   195  O O   . VAL   A 1 50  ? -36.536 5.452   -7.228  1.00 30.68 ? 257 VAL   A O   1 
ATOM   196  C CB  . VAL   A 1 50  ? -35.593 3.869   -9.812  1.00 34.80 ? 257 VAL   A CB  1 
ATOM   197  C CG1 . VAL   A 1 50  ? -35.231 2.563   -9.130  1.00 34.83 ? 257 VAL   A CG1 1 
ATOM   198  C CG2 . VAL   A 1 50  ? -35.580 3.718   -11.318 1.00 35.37 ? 257 VAL   A CG2 1 
ATOM   199  N N   . PRO   A 1 51  ? -37.700 3.574   -7.126  1.00 38.92 ? 258 PRO   A N   1 
ATOM   200  C CA  . PRO   A 1 51  ? -37.787 3.681   -5.679  1.00 36.05 ? 258 PRO   A CA  1 
ATOM   201  C C   . PRO   A 1 51  ? -36.411 3.443   -5.029  1.00 34.28 ? 258 PRO   A C   1 
ATOM   202  O O   . PRO   A 1 51  ? -35.684 2.647   -5.533  1.00 33.55 ? 258 PRO   A O   1 
ATOM   203  C CB  . PRO   A 1 51  ? -38.761 2.562   -5.265  1.00 39.29 ? 258 PRO   A CB  1 
ATOM   204  C CG  . PRO   A 1 51  ? -39.327 1.999   -6.571  1.00 44.13 ? 258 PRO   A CG  1 
ATOM   205  C CD  . PRO   A 1 51  ? -38.355 2.377   -7.673  1.00 40.97 ? 258 PRO   A CD  1 
ATOM   206  N N   . ASP   A 1 52  ? -36.127 4.111   -3.922  1.00 34.19 ? 259 ASP   A N   1 
ATOM   207  C CA  . ASP   A 1 52  ? -34.857 4.010   -3.174  1.00 40.84 ? 259 ASP   A CA  1 
ATOM   208  C C   . ASP   A 1 52  ? -34.740 2.577   -2.643  1.00 42.57 ? 259 ASP   A C   1 
ATOM   209  O O   . ASP   A 1 52  ? -35.690 2.076   -2.046  1.00 40.15 ? 259 ASP   A O   1 
ATOM   210  C CB  . ASP   A 1 52  ? -34.772 5.082   -2.090  1.00 45.58 ? 259 ASP   A CB  1 
ATOM   211  C CG  . ASP   A 1 52  ? -34.255 6.433   -2.582  1.00 57.53 ? 259 ASP   A CG  1 
ATOM   212  O OD1 . ASP   A 1 52  ? -33.982 6.574   -3.801  1.00 56.25 ? 259 ASP   A OD1 1 
ATOM   213  O OD2 . ASP   A 1 52  ? -34.105 7.344   -1.739  1.00 62.23 ? 259 ASP   A OD2 1 
ATOM   214  N N   . SER   A 1 53  ? -33.632 1.912   -2.945  1.00 35.53 ? 260 SER   A N   1 
ATOM   215  C CA  . SER   A 1 53  ? -33.333 0.528   -2.515  1.00 34.79 ? 260 SER   A CA  1 
ATOM   216  C C   . SER   A 1 53  ? -31.814 0.348   -2.556  1.00 41.38 ? 260 SER   A C   1 
ATOM   217  O O   . SER   A 1 53  ? -31.129 1.215   -3.152  1.00 32.04 ? 260 SER   A O   1 
ATOM   218  C CB  . SER   A 1 53  ? -34.014 -0.484  -3.358  1.00 33.56 ? 260 SER   A CB  1 
ATOM   219  O OG  . SER   A 1 53  ? -33.468 -0.547  -4.668  1.00 34.59 ? 260 SER   A OG  1 
ATOM   220  N N   . ASP   A 1 54  ? -31.333 -0.757  -1.994  1.00 38.78 ? 261 ASP   A N   1 
ATOM   221  C CA  . ASP   A 1 54  ? -29.927 -1.199  -2.114  1.00 40.40 ? 261 ASP   A CA  1 
ATOM   222  C C   . ASP   A 1 54  ? -29.595 -1.289  -3.596  1.00 37.18 ? 261 ASP   A C   1 
ATOM   223  O O   . ASP   A 1 54  ? -28.532 -0.780  -3.981  1.00 36.90 ? 261 ASP   A O   1 
ATOM   224  C CB  . ASP   A 1 54  ? -29.682 -2.506  -1.351  1.00 47.31 ? 261 ASP   A CB  1 
ATOM   225  C CG  . ASP   A 1 54  ? -30.485 -3.713  -1.824  1.00 52.82 ? 261 ASP   A CG  1 
ATOM   226  O OD1 . ASP   A 1 54  ? -31.517 -3.529  -2.528  1.00 46.32 ? 261 ASP   A OD1 1 
ATOM   227  O OD2 . ASP   A 1 54  ? -30.081 -4.839  -1.470  1.00 58.24 ? 261 ASP   A OD2 1 
ATOM   228  N N   . ILE   A 1 55  ? -30.484 -1.846  -4.416  1.00 31.30 ? 262 ILE   A N   1 
ATOM   229  C CA  . ILE   A 1 55  ? -30.190 -2.132  -5.849  1.00 35.68 ? 262 ILE   A CA  1 
ATOM   230  C C   . ILE   A 1 55  ? -30.069 -0.794  -6.602  1.00 34.03 ? 262 ILE   A C   1 
ATOM   231  O O   . ILE   A 1 55  ? -29.170 -0.656  -7.485  1.00 30.49 ? 262 ILE   A O   1 
ATOM   232  C CB  . ILE   A 1 55  ? -31.238 -3.107  -6.415  1.00 38.77 ? 262 ILE   A CB  1 
ATOM   233  C CG1 . ILE   A 1 55  ? -31.071 -4.492  -5.780  1.00 47.09 ? 262 ILE   A CG1 1 
ATOM   234  C CG2 . ILE   A 1 55  ? -31.199 -3.187  -7.936  1.00 39.55 ? 262 ILE   A CG2 1 
ATOM   235  C CD1 . ILE   A 1 55  ? -32.036 -5.540  -6.293  1.00 51.06 ? 262 ILE   A CD1 1 
ATOM   236  N N   . LYS   A 1 56  ? -30.925 0.168   -6.266  1.00 30.37 ? 263 LYS   A N   1 
ATOM   237  C CA  . LYS   A 1 56  ? -30.871 1.516   -6.868  1.00 30.61 ? 263 LYS   A CA  1 
ATOM   238  C C   . LYS   A 1 56  ? -29.544 2.214   -6.512  1.00 29.25 ? 263 LYS   A C   1 
ATOM   239  O O   . LYS   A 1 56  ? -28.945 2.761   -7.432  1.00 29.68 ? 263 LYS   A O   1 
ATOM   240  C CB  . LYS   A 1 56  ? -31.994 2.424   -6.380  1.00 32.39 ? 263 LYS   A CB  1 
ATOM   241  C CG  . LYS   A 1 56  ? -31.999 3.759   -7.102  1.00 30.62 ? 263 LYS   A CG  1 
ATOM   242  C CD  . LYS   A 1 56  ? -32.894 4.801   -6.461  1.00 32.84 ? 263 LYS   A CD  1 
ATOM   243  C CE  . LYS   A 1 56  ? -32.888 6.090   -7.237  1.00 30.06 ? 263 LYS   A CE  1 
ATOM   244  N NZ  . LYS   A 1 56  ? -34.080 6.901   -6.944  1.00 31.93 ? 263 LYS   A NZ  1 
ATOM   245  N N   . ALA   A 1 57  ? -29.171 2.264   -5.236  1.00 27.01 ? 264 ALA   A N   1 
ATOM   246  C CA  . ALA   A 1 57  ? -27.882 2.834   -4.780  1.00 32.18 ? 264 ALA   A CA  1 
ATOM   247  C C   . ALA   A 1 57  ? -26.718 2.180   -5.544  1.00 32.28 ? 264 ALA   A C   1 
ATOM   248  O O   . ALA   A 1 57  ? -25.904 2.920   -6.082  1.00 31.86 ? 264 ALA   A O   1 
ATOM   249  C CB  . ALA   A 1 57  ? -27.722 2.694   -3.291  1.00 32.14 ? 264 ALA   A CB  1 
ATOM   250  N N   . LEU   A 1 58  ? -26.601 0.851   -5.555  1.00 31.02 ? 265 LEU   A N   1 
ATOM   251  C CA  . LEU   A 1 58  ? -25.469 0.182   -6.237  1.00 30.40 ? 265 LEU   A CA  1 
ATOM   252  C C   . LEU   A 1 58  ? -25.536 0.387   -7.758  1.00 32.88 ? 265 LEU   A C   1 
ATOM   253  O O   . LEU   A 1 58  ? -24.459 0.483   -8.452  1.00 28.01 ? 265 LEU   A O   1 
ATOM   254  C CB  . LEU   A 1 58  ? -25.510 -1.294  -5.850  1.00 31.35 ? 265 LEU   A CB  1 
ATOM   255  C CG  . LEU   A 1 58  ? -25.309 -1.573  -4.368  1.00 32.52 ? 265 LEU   A CG  1 
ATOM   256  C CD1 . LEU   A 1 58  ? -25.509 -3.060  -4.091  1.00 36.54 ? 265 LEU   A CD1 1 
ATOM   257  C CD2 . LEU   A 1 58  ? -23.937 -1.133  -3.920  1.00 34.35 ? 265 LEU   A CD2 1 
ATOM   258  N N   . THR   A 1 59  ? -26.739 0.424   -8.331  1.00 28.55 ? 266 THR   A N   1 
ATOM   259  C CA  . THR   A 1 59  ? -26.893 0.653   -9.773  1.00 28.35 ? 266 THR   A CA  1 
ATOM   260  C C   . THR   A 1 59  ? -26.374 2.059   -10.080 1.00 26.03 ? 266 THR   A C   1 
ATOM   261  O O   . THR   A 1 59  ? -25.663 2.229   -11.148 1.00 31.59 ? 266 THR   A O   1 
ATOM   262  C CB  . THR   A 1 59  ? -28.339 0.488   -10.274 1.00 31.32 ? 266 THR   A CB  1 
ATOM   263  O OG1 . THR   A 1 59  ? -28.785 -0.839  -10.012 1.00 34.00 ? 266 THR   A OG1 1 
ATOM   264  C CG2 . THR   A 1 59  ? -28.426 0.690   -11.765 1.00 34.38 ? 266 THR   A CG2 1 
ATOM   265  N N   . THR   A 1 60  ? -26.727 3.008   -9.231  1.00 24.58 ? 267 THR   A N   1 
ATOM   266  C CA  . THR   A 1 60  ? -26.339 4.441   -9.350  1.00 27.54 ? 267 THR   A CA  1 
ATOM   267  C C   . THR   A 1 60  ? -24.806 4.554   -9.260  1.00 26.59 ? 267 THR   A C   1 
ATOM   268  O O   . THR   A 1 60  ? -24.224 5.208   -10.114 1.00 22.90 ? 267 THR   A O   1 
ATOM   269  C CB  . THR   A 1 60  ? -27.053 5.293   -8.303  1.00 28.95 ? 267 THR   A CB  1 
ATOM   270  O OG1 . THR   A 1 60  ? -28.449 5.157   -8.604  1.00 27.31 ? 267 THR   A OG1 1 
ATOM   271  C CG2 . THR   A 1 60  ? -26.603 6.743   -8.343  1.00 26.69 ? 267 THR   A CG2 1 
ATOM   272  N N   . LEU   A 1 61  ? -24.201 3.938   -8.255  1.00 25.68 ? 268 LEU   A N   1 
ATOM   273  C CA  . LEU   A 1 61  ? -22.721 3.956   -8.048  1.00 27.56 ? 268 LEU   A CA  1 
ATOM   274  C C   . LEU   A 1 61  ? -21.982 3.254   -9.186  1.00 27.52 ? 268 LEU   A C   1 
ATOM   275  O O   . LEU   A 1 61  ? -20.957 3.801   -9.604  1.00 25.13 ? 268 LEU   A O   1 
ATOM   276  C CB  . LEU   A 1 61  ? -22.376 3.305   -6.720  1.00 27.85 ? 268 LEU   A CB  1 
ATOM   277  C CG  . LEU   A 1 61  ? -22.733 4.123   -5.483  1.00 30.43 ? 268 LEU   A CG  1 
ATOM   278  C CD1 . LEU   A 1 61  ? -22.304 3.388   -4.214  1.00 38.07 ? 268 LEU   A CD1 1 
ATOM   279  C CD2 . LEU   A 1 61  ? -22.126 5.508   -5.534  1.00 32.41 ? 268 LEU   A CD2 1 
ATOM   280  N N   . CYS   A 1 62  ? -22.457 2.104   -9.675  1.00 28.44 ? 269 CYS   A N   1 
ATOM   281  C CA  . CYS   A 1 62  ? -21.793 1.402   -10.805 1.00 29.94 ? 269 CYS   A CA  1 
ATOM   282  C C   . CYS   A 1 62  ? -21.927 2.211   -12.087 1.00 32.65 ? 269 CYS   A C   1 
ATOM   283  O O   . CYS   A 1 62  ? -20.948 2.252   -12.832 1.00 29.74 ? 269 CYS   A O   1 
ATOM   284  C CB  . CYS   A 1 62  ? -22.272 -0.032  -10.967 1.00 33.12 ? 269 CYS   A CB  1 
ATOM   285  S SG  . CYS   A 1 62  ? -21.939 -0.998  -9.474  1.00 38.03 ? 269 CYS   A SG  1 
ATOM   286  N N   . ASP   A 1 63  ? -23.089 2.831   -12.346 1.00 27.74 ? 270 ASP   A N   1 
ATOM   287  C CA  . ASP   A 1 63  ? -23.270 3.710   -13.522 1.00 26.82 ? 270 ASP   A CA  1 
ATOM   288  C C   . ASP   A 1 63  ? -22.298 4.890   -13.411 1.00 23.17 ? 270 ASP   A C   1 
ATOM   289  O O   . ASP   A 1 63  ? -21.667 5.274   -14.432 1.00 28.74 ? 270 ASP   A O   1 
ATOM   290  C CB  . ASP   A 1 63  ? -24.710 4.229   -13.611 1.00 31.82 ? 270 ASP   A CB  1 
ATOM   291  C CG  . ASP   A 1 63  ? -24.847 5.363   -14.604 1.00 41.10 ? 270 ASP   A CG  1 
ATOM   292  O OD1 . ASP   A 1 63  ? -24.924 5.069   -15.803 1.00 52.70 ? 270 ASP   A OD1 1 
ATOM   293  O OD2 . ASP   A 1 63  ? -24.795 6.537   -14.175 1.00 55.70 ? 270 ASP   A OD2 1 
ATOM   294  N N   . LEU   A 1 64  ? -22.211 5.501   -12.235 1.00 23.32 ? 271 LEU   A N   1 
ATOM   295  C CA  . LEU   A 1 64  ? -21.314 6.660   -12.028 1.00 23.58 ? 271 LEU   A CA  1 
ATOM   296  C C   . LEU   A 1 64  ? -19.856 6.231   -12.270 1.00 25.27 ? 271 LEU   A C   1 
ATOM   297  O O   . LEU   A 1 64  ? -19.116 6.968   -12.982 1.00 25.49 ? 271 LEU   A O   1 
ATOM   298  C CB  . LEU   A 1 64  ? -21.491 7.203   -10.623 1.00 23.26 ? 271 LEU   A CB  1 
ATOM   299  C CG  . LEU   A 1 64  ? -20.547 8.335   -10.249 1.00 24.04 ? 271 LEU   A CG  1 
ATOM   300  C CD1 . LEU   A 1 64  ? -20.716 9.482   -11.226 1.00 26.84 ? 271 LEU   A CD1 1 
ATOM   301  C CD2 . LEU   A 1 64  ? -20.748 8.777   -8.813  1.00 24.84 ? 271 LEU   A CD2 1 
ATOM   302  N N   . ALA   A 1 65  ? -19.453 5.092   -11.704 1.00 25.24 ? 272 ALA   A N   1 
ATOM   303  C CA  . ALA   A 1 65  ? -18.112 4.502   -11.946 1.00 25.51 ? 272 ALA   A CA  1 
ATOM   304  C C   . ALA   A 1 65  ? -17.873 4.241   -13.447 1.00 27.70 ? 272 ALA   A C   1 
ATOM   305  O O   . ALA   A 1 65  ? -16.771 4.588   -13.938 1.00 26.65 ? 272 ALA   A O   1 
ATOM   306  C CB  . ALA   A 1 65  ? -17.931 3.249   -11.120 1.00 23.80 ? 272 ALA   A CB  1 
ATOM   307  N N   . ASP   A 1 66  ? -18.835 3.667   -14.179 1.00 26.89 ? 273 ASP   A N   1 
ATOM   308  C CA  . ASP   A 1 66  ? -18.687 3.409   -15.635 1.00 30.12 ? 273 ASP   A CA  1 
ATOM   309  C C   . ASP   A 1 66  ? -18.367 4.739   -16.312 1.00 27.99 ? 273 ASP   A C   1 
ATOM   310  O O   . ASP   A 1 66  ? -17.473 4.781   -17.159 1.00 25.38 ? 273 ASP   A O   1 
ATOM   311  C CB  . ASP   A 1 66  ? -19.920 2.707   -16.228 1.00 33.86 ? 273 ASP   A CB  1 
ATOM   312  C CG  . ASP   A 1 66  ? -19.761 2.286   -17.686 1.00 41.29 ? 273 ASP   A CG  1 
ATOM   313  O OD1 . ASP   A 1 66  ? -19.145 1.210   -17.938 1.00 44.19 ? 273 ASP   A OD1 1 
ATOM   314  O OD2 . ASP   A 1 66  ? -20.238 3.047   -18.576 1.00 44.34 ? 273 ASP   A OD2 1 
ATOM   315  N N   . ARG   A 1 67  ? -19.089 5.803   -15.974 1.00 27.64 ? 274 ARG   A N   1 
ATOM   316  C CA  . ARG   A 1 67  ? -18.935 7.106   -16.646 1.00 27.17 ? 274 ARG   A CA  1 
ATOM   317  C C   . ARG   A 1 67  ? -17.599 7.743   -16.235 1.00 25.19 ? 274 ARG   A C   1 
ATOM   318  O O   . ARG   A 1 67  ? -16.957 8.405   -17.067 1.00 24.51 ? 274 ARG   A O   1 
ATOM   319  C CB  . ARG   A 1 67  ? -20.175 7.956   -16.373 1.00 26.80 ? 274 ARG   A CB  1 
ATOM   320  C CG  . ARG   A 1 67  ? -21.336 7.608   -17.312 1.00 29.80 ? 274 ARG   A CG  1 
ATOM   321  C CD  . ARG   A 1 67  ? -22.451 8.615   -17.101 1.00 31.53 ? 274 ARG   A CD  1 
ATOM   322  N NE  . ARG   A 1 67  ? -23.021 8.323   -15.804 1.00 28.75 ? 274 ARG   A NE  1 
ATOM   323  C CZ  . ARG   A 1 67  ? -23.259 9.207   -14.852 1.00 30.21 ? 274 ARG   A CZ  1 
ATOM   324  N NH1 . ARG   A 1 67  ? -22.956 10.477  -15.032 1.00 32.58 ? 274 ARG   A NH1 1 
ATOM   325  N NH2 . ARG   A 1 67  ? -23.768 8.806   -13.703 1.00 29.66 ? 274 ARG   A NH2 1 
ATOM   326  N N   . GLU   A 1 68  ? -17.219 7.616   -14.964 1.00 27.34 ? 275 GLU   A N   1 
ATOM   327  C CA  . GLU   A 1 68  ? -15.960 8.209   -14.474 1.00 26.60 ? 275 GLU   A CA  1 
ATOM   328  C C   . GLU   A 1 68  ? -14.760 7.458   -15.109 1.00 22.13 ? 275 GLU   A C   1 
ATOM   329  O O   . GLU   A 1 68  ? -13.770 8.117   -15.375 1.00 26.59 ? 275 GLU   A O   1 
ATOM   330  C CB  . GLU   A 1 68  ? -15.959 8.325   -12.951 1.00 29.23 ? 275 GLU   A CB  1 
ATOM   331  C CG  . GLU   A 1 68  ? -14.825 9.204   -12.447 1.00 40.04 ? 275 GLU   A CG  1 
ATOM   332  C CD  . GLU   A 1 68  ? -14.878 9.518   -10.957 1.00 42.05 ? 275 GLU   A CD  1 
ATOM   333  O OE1 . GLU   A 1 68  ? -13.859 10.021  -10.410 1.00 54.71 ? 275 GLU   A OE1 1 
ATOM   334  O OE2 . GLU   A 1 68  ? -15.930 9.260   -10.351 1.00 50.50 ? 275 GLU   A OE2 1 
ATOM   335  N N   . LEU   A 1 69  ? -14.862 6.175   -15.393 1.00 23.60 ? 276 LEU   A N   1 
ATOM   336  C CA  . LEU   A 1 69  ? -13.769 5.422   -16.053 1.00 27.21 ? 276 LEU   A CA  1 
ATOM   337  C C   . LEU   A 1 69  ? -13.459 5.995   -17.435 1.00 30.42 ? 276 LEU   A C   1 
ATOM   338  O O   . LEU   A 1 69  ? -12.286 5.988   -17.812 1.00 27.37 ? 276 LEU   A O   1 
ATOM   339  C CB  . LEU   A 1 69  ? -14.152 3.945   -16.150 1.00 26.55 ? 276 LEU   A CB  1 
ATOM   340  C CG  . LEU   A 1 69  ? -14.062 3.214   -14.830 1.00 27.98 ? 276 LEU   A CG  1 
ATOM   341  C CD1 . LEU   A 1 69  ? -14.758 1.875   -14.902 1.00 28.35 ? 276 LEU   A CD1 1 
ATOM   342  C CD2 . LEU   A 1 69  ? -12.594 3.062   -14.406 1.00 32.84 ? 276 LEU   A CD2 1 
ATOM   343  N N   . VAL   A 1 70  ? -14.482 6.453   -18.173 1.00 27.77 ? 277 VAL   A N   1 
ATOM   344  C CA  . VAL   A 1 70  ? -14.274 7.096   -19.490 1.00 28.01 ? 277 VAL   A CA  1 
ATOM   345  C C   . VAL   A 1 70  ? -13.424 8.340   -19.285 1.00 26.29 ? 277 VAL   A C   1 
ATOM   346  O O   . VAL   A 1 70  ? -12.434 8.506   -20.015 1.00 27.00 ? 277 VAL   A O   1 
ATOM   347  C CB  . VAL   A 1 70  ? -15.604 7.422   -20.202 1.00 29.33 ? 277 VAL   A CB  1 
ATOM   348  C CG1 . VAL   A 1 70  ? -15.342 8.124   -21.528 1.00 31.71 ? 277 VAL   A CG1 1 
ATOM   349  C CG2 . VAL   A 1 70  ? -16.421 6.179   -20.405 1.00 32.48 ? 277 VAL   A CG2 1 
ATOM   350  N N   . VAL   A 1 71  ? -13.754 9.149   -18.273 1.00 25.22 ? 278 VAL   A N   1 
ATOM   351  C CA  . VAL   A 1 71  ? -13.096 10.429  -17.958 1.00 27.81 ? 278 VAL   A CA  1 
ATOM   352  C C   . VAL   A 1 71  ? -11.647 10.112  -17.537 1.00 26.75 ? 278 VAL   A C   1 
ATOM   353  O O   . VAL   A 1 71  ? -10.716 10.823  -17.998 1.00 26.30 ? 278 VAL   A O   1 
ATOM   354  C CB  . VAL   A 1 71  ? -13.922 11.132  -16.864 1.00 29.69 ? 278 VAL   A CB  1 
ATOM   355  C CG1 . VAL   A 1 71  ? -13.219 12.297  -16.265 1.00 33.43 ? 278 VAL   A CG1 1 
ATOM   356  C CG2 . VAL   A 1 71  ? -15.316 11.530  -17.380 1.00 31.89 ? 278 VAL   A CG2 1 
ATOM   357  N N   . ILE   A 1 72  ? -11.480 9.057   -16.745 1.00 24.63 ? 279 ILE   A N   1 
ATOM   358  C CA  . ILE   A 1 72  ? -10.138 8.633   -16.250 1.00 27.29 ? 279 ILE   A CA  1 
ATOM   359  C C   . ILE   A 1 72  ? -9.228  8.229   -17.418 1.00 24.69 ? 279 ILE   A C   1 
ATOM   360  O O   . ILE   A 1 72  ? -8.055  8.607   -17.416 1.00 25.96 ? 279 ILE   A O   1 
ATOM   361  C CB  . ILE   A 1 72  ? -10.330 7.509   -15.229 1.00 26.55 ? 279 ILE   A CB  1 
ATOM   362  C CG1 . ILE   A 1 72  ? -10.888 8.109   -13.941 1.00 26.46 ? 279 ILE   A CG1 1 
ATOM   363  C CG2 . ILE   A 1 72  ? -9.029  6.752   -14.990 1.00 27.33 ? 279 ILE   A CG2 1 
ATOM   364  C CD1 . ILE   A 1 72  ? -11.381 7.082   -12.977 1.00 26.74 ? 279 ILE   A CD1 1 
ATOM   365  N N   . ILE   A 1 73  ? -9.741  7.475   -18.381 1.00 30.62 ? 280 ILE   A N   1 
ATOM   366  C CA  . ILE   A 1 73  ? -8.939  7.051   -19.559 1.00 29.41 ? 280 ILE   A CA  1 
ATOM   367  C C   . ILE   A 1 73  ? -8.463  8.301   -20.287 1.00 32.69 ? 280 ILE   A C   1 
ATOM   368  O O   . ILE   A 1 73  ? -7.270  8.360   -20.639 1.00 30.29 ? 280 ILE   A O   1 
ATOM   369  C CB  . ILE   A 1 73  ? -9.720  6.076   -20.443 1.00 33.10 ? 280 ILE   A CB  1 
ATOM   370  C CG1 . ILE   A 1 73  ? -9.965  4.776   -19.687 1.00 32.80 ? 280 ILE   A CG1 1 
ATOM   371  C CG2 . ILE   A 1 73  ? -8.993  5.839   -21.767 1.00 31.80 ? 280 ILE   A CG2 1 
ATOM   372  C CD1 . ILE   A 1 73  ? -11.158 4.029   -20.180 1.00 37.80 ? 280 ILE   A CD1 1 
ATOM   373  N N   . GLY   A 1 74  ? -9.342  9.289   -20.468 1.00 32.50 ? 281 GLY   A N   1 
ATOM   374  C CA  . GLY   A 1 74  ? -8.996  10.574  -21.087 1.00 32.98 ? 281 GLY   A CA  1 
ATOM   375  C C   . GLY   A 1 74  ? -7.928  11.329  -20.330 1.00 34.78 ? 281 GLY   A C   1 
ATOM   376  O O   . GLY   A 1 74  ? -7.006  11.893  -20.958 1.00 29.84 ? 281 GLY   A O   1 
ATOM   377  N N   . TRP   A 1 75  ? -8.092  11.431  -19.016 1.00 27.39 ? 282 TRP   A N   1 
ATOM   378  C CA  . TRP   A 1 75  ? -7.117  12.097  -18.132 1.00 26.72 ? 282 TRP   A CA  1 
ATOM   379  C C   . TRP   A 1 75  ? -5.722  11.460  -18.263 1.00 22.39 ? 282 TRP   A C   1 
ATOM   380  O O   . TRP   A 1 75  ? -4.747  12.229  -18.303 1.00 25.37 ? 282 TRP   A O   1 
ATOM   381  C CB  . TRP   A 1 75  ? -7.684  11.998  -16.724 1.00 24.19 ? 282 TRP   A CB  1 
ATOM   382  C CG  . TRP   A 1 75  ? -6.695  12.208  -15.641 1.00 25.27 ? 282 TRP   A CG  1 
ATOM   383  C CD1 . TRP   A 1 75  ? -6.165  13.387  -15.234 1.00 24.59 ? 282 TRP   A CD1 1 
ATOM   384  C CD2 . TRP   A 1 75  ? -6.060  11.169  -14.889 1.00 23.11 ? 282 TRP   A CD2 1 
ATOM   385  N NE1 . TRP   A 1 75  ? -5.317  13.143  -14.186 1.00 26.89 ? 282 TRP   A NE1 1 
ATOM   386  C CE2 . TRP   A 1 75  ? -5.231  11.801  -13.964 1.00 25.28 ? 282 TRP   A CE2 1 
ATOM   387  C CE3 . TRP   A 1 75  ? -6.148  9.774   -14.890 1.00 25.76 ? 282 TRP   A CE3 1 
ATOM   388  C CZ2 . TRP   A 1 75  ? -4.515  11.084  -13.015 1.00 23.02 ? 282 TRP   A CZ2 1 
ATOM   389  C CZ3 . TRP   A 1 75  ? -5.433  9.056   -13.965 1.00 25.89 ? 282 TRP   A CZ3 1 
ATOM   390  C CH2 . TRP   A 1 75  ? -4.575  9.713   -13.079 1.00 23.09 ? 282 TRP   A CH2 1 
ATOM   391  N N   . ALA   A 1 76  ? -5.643  10.132  -18.286 1.00 24.91 ? 283 ALA   A N   1 
ATOM   392  C CA  . ALA   A 1 76  ? -4.381  9.355   -18.240 1.00 27.24 ? 283 ALA   A CA  1 
ATOM   393  C C   . ALA   A 1 76  ? -3.548  9.787   -19.444 1.00 29.00 ? 283 ALA   A C   1 
ATOM   394  O O   . ALA   A 1 76  ? -2.339  9.933   -19.337 1.00 23.37 ? 283 ALA   A O   1 
ATOM   395  C CB  . ALA   A 1 76  ? -4.672  7.874   -18.256 1.00 29.00 ? 283 ALA   A CB  1 
ATOM   396  N N   . LYS   A 1 77  ? -4.207  10.091  -20.556 1.00 30.72 ? 284 LYS   A N   1 
ATOM   397  C CA  . LYS   A 1 77  ? -3.502  10.532  -21.795 1.00 31.07 ? 284 LYS   A CA  1 
ATOM   398  C C   . LYS   A 1 77  ? -2.796  11.883  -21.617 1.00 32.09 ? 284 LYS   A C   1 
ATOM   399  O O   . LYS   A 1 77  ? -1.836  12.150  -22.364 1.00 35.96 ? 284 LYS   A O   1 
ATOM   400  C CB  . LYS   A 1 77  ? -4.524  10.547  -22.927 1.00 35.20 ? 284 LYS   A CB  1 
ATOM   401  C CG  . LYS   A 1 77  ? -5.115  9.185   -23.219 1.00 36.13 ? 284 LYS   A CG  1 
ATOM   402  C CD  . LYS   A 1 77  ? -5.877  9.200   -24.533 1.00 43.84 ? 284 LYS   A CD  1 
ATOM   403  C CE  . LYS   A 1 77  ? -6.824  8.042   -24.694 1.00 47.26 ? 284 LYS   A CE  1 
ATOM   404  N NZ  . LYS   A 1 77  ? -7.899  8.366   -25.672 1.00 50.51 ? 284 LYS   A NZ  1 
ATOM   405  N N   . HIS   A 1 78  ? -3.189  12.708  -20.647 1.00 32.70 ? 285 HIS   A N   1 
ATOM   406  C CA  . HIS   A 1 78  ? -2.532  14.007  -20.364 1.00 32.05 ? 285 HIS   A CA  1 
ATOM   407  C C   . HIS   A 1 78  ? -1.347  13.786  -19.436 1.00 32.86 ? 285 HIS   A C   1 
ATOM   408  O O   . HIS   A 1 78  ? -0.573  14.710  -19.274 1.00 34.58 ? 285 HIS   A O   1 
ATOM   409  C CB  . HIS   A 1 78  ? -3.528  15.014  -19.779 1.00 37.50 ? 285 HIS   A CB  1 
ATOM   410  C CG  . HIS   A 1 78  ? -4.508  15.470  -20.795 1.00 45.08 ? 285 HIS   A CG  1 
ATOM   411  N ND1 . HIS   A 1 78  ? -4.215  16.491  -21.682 1.00 51.03 ? 285 HIS   A ND1 1 
ATOM   412  C CD2 . HIS   A 1 78  ? -5.724  14.995  -21.131 1.00 50.31 ? 285 HIS   A CD2 1 
ATOM   413  C CE1 . HIS   A 1 78  ? -5.236  16.652  -22.500 1.00 56.09 ? 285 HIS   A CE1 1 
ATOM   414  N NE2 . HIS   A 1 78  ? -6.175  15.740  -22.187 1.00 53.87 ? 285 HIS   A NE2 1 
ATOM   415  N N   . ILE   A 1 79  ? -1.236  12.615  -18.811 1.00 28.06 ? 286 ILE   A N   1 
ATOM   416  C CA  . ILE   A 1 79  ? -0.107  12.393  -17.878 1.00 27.55 ? 286 ILE   A CA  1 
ATOM   417  C C   . ILE   A 1 79  ? 1.168   12.310  -18.698 1.00 28.69 ? 286 ILE   A C   1 
ATOM   418  O O   . ILE   A 1 79  ? 1.312   11.440  -19.563 1.00 26.18 ? 286 ILE   A O   1 
ATOM   419  C CB  . ILE   A 1 79  ? -0.258  11.137  -17.029 1.00 26.73 ? 286 ILE   A CB  1 
ATOM   420  C CG1 . ILE   A 1 79  ? -1.477  11.208  -16.111 1.00 26.87 ? 286 ILE   A CG1 1 
ATOM   421  C CG2 . ILE   A 1 79  ? 1.033   10.931  -16.264 1.00 24.53 ? 286 ILE   A CG2 1 
ATOM   422  C CD1 . ILE   A 1 79  ? -1.891  9.843   -15.557 1.00 27.70 ? 286 ILE   A CD1 1 
ATOM   423  N N   . PRO   A 1 80  ? 2.122   13.228  -18.473 1.00 34.34 ? 287 PRO   A N   1 
ATOM   424  C CA  . PRO   A 1 80  ? 3.335   13.264  -19.289 1.00 37.21 ? 287 PRO   A CA  1 
ATOM   425  C C   . PRO   A 1 80  ? 4.031   11.907  -19.367 1.00 33.23 ? 287 PRO   A C   1 
ATOM   426  O O   . PRO   A 1 80  ? 4.364   11.358  -18.348 1.00 36.31 ? 287 PRO   A O   1 
ATOM   427  C CB  . PRO   A 1 80  ? 4.159   14.312  -18.532 1.00 43.96 ? 287 PRO   A CB  1 
ATOM   428  C CG  . PRO   A 1 80  ? 3.089   15.268  -18.101 1.00 43.03 ? 287 PRO   A CG  1 
ATOM   429  C CD  . PRO   A 1 80  ? 2.047   14.337  -17.516 1.00 39.22 ? 287 PRO   A CD  1 
ATOM   430  N N   . GLY   A 1 81  ? 4.161   11.402  -20.591 1.00 31.08 ? 288 GLY   A N   1 
ATOM   431  C CA  . GLY   A 1 81  ? 4.819   10.138  -20.943 1.00 31.88 ? 288 GLY   A CA  1 
ATOM   432  C C   . GLY   A 1 81  ? 3.882   8.948   -20.999 1.00 29.38 ? 288 GLY   A C   1 
ATOM   433  O O   . GLY   A 1 81  ? 4.304   7.908   -21.547 1.00 33.06 ? 288 GLY   A O   1 
ATOM   434  N N   . PHE   A 1 82  ? 2.650   9.029   -20.481 1.00 27.79 ? 289 PHE   A N   1 
ATOM   435  C CA  . PHE   A 1 82  ? 1.758   7.845   -20.420 1.00 25.14 ? 289 PHE   A CA  1 
ATOM   436  C C   . PHE   A 1 82  ? 1.475   7.353   -21.852 1.00 23.99 ? 289 PHE   A C   1 
ATOM   437  O O   . PHE   A 1 82  ? 1.429   6.166   -22.110 1.00 25.60 ? 289 PHE   A O   1 
ATOM   438  C CB  . PHE   A 1 82  ? 0.454   8.202   -19.699 1.00 24.47 ? 289 PHE   A CB  1 
ATOM   439  C CG  . PHE   A 1 82  ? -0.519  7.067   -19.610 1.00 25.20 ? 289 PHE   A CG  1 
ATOM   440  C CD1 . PHE   A 1 82  ? -0.408  6.145   -18.590 1.00 25.51 ? 289 PHE   A CD1 1 
ATOM   441  C CD2 . PHE   A 1 82  ? -1.519  6.896   -20.560 1.00 23.74 ? 289 PHE   A CD2 1 
ATOM   442  C CE1 . PHE   A 1 82  ? -1.284  5.083   -18.515 1.00 23.45 ? 289 PHE   A CE1 1 
ATOM   443  C CE2 . PHE   A 1 82  ? -2.409  5.845   -20.467 1.00 25.65 ? 289 PHE   A CE2 1 
ATOM   444  C CZ  . PHE   A 1 82  ? -2.286  4.943   -19.441 1.00 24.67 ? 289 PHE   A CZ  1 
ATOM   445  N N   . SER   A 1 83  ? 1.202   8.284   -22.750 1.00 29.54 ? 290 SER   A N   1 
ATOM   446  C CA  . SER   A 1 83  ? 0.810   8.035   -24.164 1.00 36.15 ? 290 SER   A CA  1 
ATOM   447  C C   . SER   A 1 83  ? 1.942   7.404   -24.985 1.00 37.94 ? 290 SER   A C   1 
ATOM   448  O O   . SER   A 1 83  ? 1.617   6.861   -26.057 1.00 39.49 ? 290 SER   A O   1 
ATOM   449  C CB  . SER   A 1 83  ? 0.351   9.311   -24.790 1.00 39.03 ? 290 SER   A CB  1 
ATOM   450  O OG  . SER   A 1 83  ? -0.962  9.553   -24.345 1.00 46.45 ? 290 SER   A OG  1 
ATOM   451  N N   . THR   A 1 84  ? 3.184   7.433   -24.500 1.00 36.95 ? 291 THR   A N   1 
ATOM   452  C CA  . THR   A 1 84  ? 4.375   6.839   -25.183 1.00 35.88 ? 291 THR   A CA  1 
ATOM   453  C C   . THR   A 1 84  ? 4.514   5.372   -24.786 1.00 37.94 ? 291 THR   A C   1 
ATOM   454  O O   . THR   A 1 84  ? 5.293   4.640   -25.426 1.00 35.41 ? 291 THR   A O   1 
ATOM   455  C CB  . THR   A 1 84  ? 5.650   7.644   -24.897 1.00 40.36 ? 291 THR   A CB  1 
ATOM   456  O OG1 . THR   A 1 84  ? 6.134   7.380   -23.579 1.00 45.19 ? 291 THR   A OG1 1 
ATOM   457  C CG2 . THR   A 1 84  ? 5.462   9.137   -25.058 1.00 40.90 ? 291 THR   A CG2 1 
ATOM   458  N N   . LEU   A 1 85  ? 3.782   4.907   -23.772 1.00 32.77 ? 292 LEU   A N   1 
ATOM   459  C CA  . LEU   A 1 85  ? 3.807   3.474   -23.446 1.00 31.28 ? 292 LEU   A CA  1 
ATOM   460  C C   . LEU   A 1 85  ? 3.058   2.746   -24.553 1.00 33.30 ? 292 LEU   A C   1 
ATOM   461  O O   . LEU   A 1 85  ? 2.234   3.370   -25.200 1.00 37.94 ? 292 LEU   A O   1 
ATOM   462  C CB  . LEU   A 1 85  ? 3.138   3.195   -22.101 1.00 32.80 ? 292 LEU   A CB  1 
ATOM   463  C CG  . LEU   A 1 85  ? 3.792   3.833   -20.881 1.00 30.13 ? 292 LEU   A CG  1 
ATOM   464  C CD1 . LEU   A 1 85  ? 2.869   3.696   -19.662 1.00 32.11 ? 292 LEU   A CD1 1 
ATOM   465  C CD2 . LEU   A 1 85  ? 5.145   3.195   -20.578 1.00 34.73 ? 292 LEU   A CD2 1 
ATOM   466  N N   . SER   A 1 86  ? 3.288   1.452   -24.679 1.00 33.08 ? 293 SER   A N   1 
ATOM   467  C CA  . SER   A 1 86  ? 2.484   0.584   -25.560 1.00 36.83 ? 293 SER   A CA  1 
ATOM   468  C C   . SER   A 1 86  ? 1.039   0.620   -25.083 1.00 41.57 ? 293 SER   A C   1 
ATOM   469  O O   . SER   A 1 86  ? 0.784   0.837   -23.875 1.00 34.04 ? 293 SER   A O   1 
ATOM   470  C CB  . SER   A 1 86  ? 2.999   -0.791  -25.597 1.00 36.66 ? 293 SER   A CB  1 
ATOM   471  O OG  . SER   A 1 86  ? 2.874   -1.414  -24.342 1.00 39.27 ? 293 SER   A OG  1 
ATOM   472  N N   . LEU   A 1 87  ? 0.125   0.391   -26.016 1.00 37.82 ? 294 LEU   A N   1 
ATOM   473  C CA  . LEU   A 1 87  ? -1.307  0.285   -25.711 1.00 37.57 ? 294 LEU   A CA  1 
ATOM   474  C C   . LEU   A 1 87  ? -1.521  -0.793  -24.648 1.00 34.87 ? 294 LEU   A C   1 
ATOM   475  O O   . LEU   A 1 87  ? -2.335  -0.544  -23.750 1.00 31.04 ? 294 LEU   A O   1 
ATOM   476  C CB  . LEU   A 1 87  ? -2.061  0.001   -27.010 1.00 40.32 ? 294 LEU   A CB  1 
ATOM   477  C CG  . LEU   A 1 87  ? -2.350  1.245   -27.832 1.00 42.64 ? 294 LEU   A CG  1 
ATOM   478  C CD1 . LEU   A 1 87  ? -2.937  0.857   -29.178 1.00 44.70 ? 294 LEU   A CD1 1 
ATOM   479  C CD2 . LEU   A 1 87  ? -3.284  2.182   -27.083 1.00 42.82 ? 294 LEU   A CD2 1 
ATOM   480  N N   . ALA   A 1 88  ? -0.803  -1.910  -24.711 1.00 31.91 ? 295 ALA   A N   1 
ATOM   481  C CA  . ALA   A 1 88  ? -0.892  -3.018  -23.735 1.00 34.24 ? 295 ALA   A CA  1 
ATOM   482  C C   . ALA   A 1 88  ? -0.526  -2.510  -22.316 1.00 31.59 ? 295 ALA   A C   1 
ATOM   483  O O   . ALA   A 1 88  ? -1.251  -2.830  -21.355 1.00 29.68 ? 295 ALA   A O   1 
ATOM   484  C CB  . ALA   A 1 88  ? 0.007   -4.146  -24.143 1.00 34.85 ? 295 ALA   A CB  1 
ATOM   485  N N   . ASP   A 1 89  ? 0.553   -1.750  -22.213 1.00 29.66 ? 296 ASP   A N   1 
ATOM   486  C CA  . ASP   A 1 89  ? 1.055   -1.185  -20.929 1.00 29.13 ? 296 ASP   A CA  1 
ATOM   487  C C   . ASP   A 1 89  ? 0.085   -0.106  -20.428 1.00 29.08 ? 296 ASP   A C   1 
ATOM   488  O O   . ASP   A 1 89  ? -0.177  -0.081  -19.220 1.00 26.62 ? 296 ASP   A O   1 
ATOM   489  C CB  . ASP   A 1 89  ? 2.482   -0.673  -21.095 1.00 31.60 ? 296 ASP   A CB  1 
ATOM   490  C CG  . ASP   A 1 89  ? 3.535   -1.780  -21.029 1.00 38.03 ? 296 ASP   A CG  1 
ATOM   491  O OD1 . ASP   A 1 89  ? 3.138   -2.951  -20.793 1.00 37.68 ? 296 ASP   A OD1 1 
ATOM   492  O OD2 . ASP   A 1 89  ? 4.752   -1.453  -21.181 1.00 39.55 ? 296 ASP   A OD2 1 
ATOM   493  N N   . GLN   A 1 90  ? -0.467  0.718   -21.313 1.00 28.18 ? 297 GLN   A N   1 
ATOM   494  C CA  . GLN   A 1 90  ? -1.493  1.727   -20.955 1.00 27.66 ? 297 GLN   A CA  1 
ATOM   495  C C   . GLN   A 1 90  ? -2.685  1.020   -20.315 1.00 28.65 ? 297 GLN   A C   1 
ATOM   496  O O   . GLN   A 1 90  ? -3.161  1.468   -19.218 1.00 25.20 ? 297 GLN   A O   1 
ATOM   497  C CB  . GLN   A 1 90  ? -1.923  2.562   -22.152 1.00 26.94 ? 297 GLN   A CB  1 
ATOM   498  C CG  . GLN   A 1 90  ? -0.864  3.571   -22.603 1.00 27.48 ? 297 GLN   A CG  1 
ATOM   499  C CD  . GLN   A 1 90  ? -1.343  4.375   -23.789 1.00 32.58 ? 297 GLN   A CD  1 
ATOM   500  O OE1 . GLN   A 1 90  ? -2.462  4.876   -23.796 1.00 32.90 ? 297 GLN   A OE1 1 
ATOM   501  N NE2 . GLN   A 1 90  ? -0.503  4.499   -24.809 1.00 32.78 ? 297 GLN   A NE2 1 
ATOM   502  N N   . MET   A 1 91  ? -3.155  -0.049  -20.943 1.00 26.59 ? 298 MET   A N   1 
ATOM   503  C CA  . MET   A 1 91  ? -4.304  -0.837  -20.442 1.00 27.75 ? 298 MET   A CA  1 
ATOM   504  C C   . MET   A 1 91  ? -3.920  -1.491  -19.134 1.00 24.44 ? 298 MET   A C   1 
ATOM   505  O O   . MET   A 1 91  ? -4.758  -1.504  -18.260 1.00 22.86 ? 298 MET   A O   1 
ATOM   506  C CB  . MET   A 1 91  ? -4.698  -1.960  -21.406 1.00 32.50 ? 298 MET   A CB  1 
ATOM   507  C CG  . MET   A 1 91  ? -5.271  -1.460  -22.698 1.00 37.89 ? 298 MET   A CG  1 
ATOM   508  S SD  . MET   A 1 91  ? -5.472  -2.862  -23.863 1.00 44.82 ? 298 MET   A SD  1 
ATOM   509  C CE  . MET   A 1 91  ? -6.605  -3.926  -22.975 1.00 38.37 ? 298 MET   A CE  1 
ATOM   510  N N   . SER   A 1 92  ? -2.726  -2.082  -19.039 1.00 22.92 ? 299 SER   A N   1 
ATOM   511  C CA  . SER   A 1 92  ? -2.267  -2.785  -17.818 1.00 26.03 ? 299 SER   A CA  1 
ATOM   512  C C   . SER   A 1 92  ? -2.297  -1.828  -16.607 1.00 22.39 ? 299 SER   A C   1 
ATOM   513  O O   . SER   A 1 92  ? -2.784  -2.256  -15.572 1.00 24.32 ? 299 SER   A O   1 
ATOM   514  C CB  . SER   A 1 92  ? -0.908  -3.442  -18.008 1.00 28.99 ? 299 SER   A CB  1 
ATOM   515  O OG  . SER   A 1 92  ? -1.071  -4.563  -18.869 1.00 33.74 ? 299 SER   A OG  1 
ATOM   516  N N   . LEU   A 1 93  ? -1.784  -0.616  -16.739 1.00 23.12 ? 300 LEU   A N   1 
ATOM   517  C CA  . LEU   A 1 93  ? -1.734  0.372   -15.629 1.00 22.54 ? 300 LEU   A CA  1 
ATOM   518  C C   . LEU   A 1 93  ? -3.179  0.730   -15.242 1.00 23.51 ? 300 LEU   A C   1 
ATOM   519  O O   . LEU   A 1 93  ? -3.521  0.698   -14.071 1.00 19.64 ? 300 LEU   A O   1 
ATOM   520  C CB  . LEU   A 1 93  ? -0.970  1.619   -16.040 1.00 24.18 ? 300 LEU   A CB  1 
ATOM   521  C CG  . LEU   A 1 93  ? 0.527   1.451   -16.323 1.00 27.89 ? 300 LEU   A CG  1 
ATOM   522  C CD1 . LEU   A 1 93  ? 1.162   2.804   -16.525 1.00 29.22 ? 300 LEU   A CD1 1 
ATOM   523  C CD2 . LEU   A 1 93  ? 1.214   0.681   -15.237 1.00 29.35 ? 300 LEU   A CD2 1 
ATOM   524  N N   . LEU   A 1 94  ? -4.032  1.013   -16.210 1.00 22.17 ? 301 LEU   A N   1 
ATOM   525  C CA  . LEU   A 1 94  ? -5.428  1.403   -15.887 1.00 22.14 ? 301 LEU   A CA  1 
ATOM   526  C C   . LEU   A 1 94  ? -6.211  0.239   -15.304 1.00 23.46 ? 301 LEU   A C   1 
ATOM   527  O O   . LEU   A 1 94  ? -7.059  0.492   -14.418 1.00 24.60 ? 301 LEU   A O   1 
ATOM   528  C CB  . LEU   A 1 94  ? -6.079  1.941   -17.164 1.00 24.43 ? 301 LEU   A CB  1 
ATOM   529  C CG  . LEU   A 1 94  ? -5.610  3.326   -17.585 1.00 23.37 ? 301 LEU   A CG  1 
ATOM   530  C CD1 . LEU   A 1 94  ? -5.897  3.620   -19.058 1.00 27.52 ? 301 LEU   A CD1 1 
ATOM   531  C CD2 . LEU   A 1 94  ? -6.235  4.397   -16.701 1.00 25.20 ? 301 LEU   A CD2 1 
ATOM   532  N N   . GLN   A 1 95  ? -6.008  -1.004  -15.769 1.00 21.17 ? 302 GLN   A N   1 
ATOM   533  C CA  . GLN   A 1 95  ? -6.734  -2.176  -15.217 1.00 25.01 ? 302 GLN   A CA  1 
ATOM   534  C C   . GLN   A 1 95  ? -6.327  -2.397  -13.756 1.00 22.89 ? 302 GLN   A C   1 
ATOM   535  O O   . GLN   A 1 95  ? -7.139  -2.926  -12.958 1.00 24.79 ? 302 GLN   A O   1 
ATOM   536  C CB  . GLN   A 1 95  ? -6.454  -3.447  -16.026 1.00 26.53 ? 302 GLN   A CB  1 
ATOM   537  C CG  . GLN   A 1 95  ? -7.307  -3.537  -17.279 1.00 30.07 ? 302 GLN   A CG  1 
ATOM   538  C CD  . GLN   A 1 95  ? -6.792  -4.571  -18.260 1.00 34.09 ? 302 GLN   A CD  1 
ATOM   539  O OE1 . GLN   A 1 95  ? -5.666  -5.056  -18.167 1.00 40.97 ? 302 GLN   A OE1 1 
ATOM   540  N NE2 . GLN   A 1 95  ? -7.575  -4.834  -19.283 1.00 38.36 ? 302 GLN   A NE2 1 
ATOM   541  N N   . SER   A 1 96  ? -5.101  -2.048  -13.393 1.00 22.66 ? 303 SER   A N   1 
ATOM   542  C CA  . SER   A 1 96  ? -4.615  -2.240  -12.001 1.00 23.26 ? 303 SER   A CA  1 
ATOM   543  C C   . SER   A 1 96  ? -5.078  -1.094  -11.083 1.00 21.25 ? 303 SER   A C   1 
ATOM   544  O O   . SER   A 1 96  ? -5.373  -1.373  -9.916  1.00 23.81 ? 303 SER   A O   1 
ATOM   545  C CB  . SER   A 1 96  ? -3.111  -2.358  -11.970 1.00 26.99 ? 303 SER   A CB  1 
ATOM   546  O OG  . SER   A 1 96  ? -2.668  -3.521  -12.668 1.00 32.44 ? 303 SER   A OG  1 
ATOM   547  N N   . ALA   A 1 97  ? -5.108  0.133   -11.558 1.00 20.86 ? 304 ALA   A N   1 
ATOM   548  C CA  . ALA   A 1 97  ? -5.215  1.330   -10.692 1.00 20.14 ? 304 ALA   A CA  1 
ATOM   549  C C   . ALA   A 1 97  ? -6.605  1.975   -10.694 1.00 19.35 ? 304 ALA   A C   1 
ATOM   550  O O   . ALA   A 1 97  ? -6.813  2.934   -9.931  1.00 18.59 ? 304 ALA   A O   1 
ATOM   551  C CB  . ALA   A 1 97  ? -4.184  2.297   -11.130 1.00 19.79 ? 304 ALA   A CB  1 
ATOM   552  N N   . TRP   A 1 98  ? -7.537  1.523   -11.523 1.00 20.29 ? 305 TRP   A N   1 
ATOM   553  C CA  . TRP   A 1 98  ? -8.771  2.311   -11.797 1.00 20.22 ? 305 TRP   A CA  1 
ATOM   554  C C   . TRP   A 1 98  ? -9.538  2.547   -10.491 1.00 17.70 ? 305 TRP   A C   1 
ATOM   555  O O   . TRP   A 1 98  ? -10.034 3.676   -10.294 1.00 20.77 ? 305 TRP   A O   1 
ATOM   556  C CB  . TRP   A 1 98  ? -9.637  1.639   -12.862 1.00 21.70 ? 305 TRP   A CB  1 
ATOM   557  C CG  . TRP   A 1 98  ? -10.150 0.297   -12.495 1.00 23.49 ? 305 TRP   A CG  1 
ATOM   558  C CD1 . TRP   A 1 98  ? -9.525  -0.901  -12.660 1.00 25.85 ? 305 TRP   A CD1 1 
ATOM   559  C CD2 . TRP   A 1 98  ? -11.420 0.002   -11.892 1.00 23.49 ? 305 TRP   A CD2 1 
ATOM   560  N NE1 . TRP   A 1 98  ? -10.297 -1.913  -12.152 1.00 25.97 ? 305 TRP   A NE1 1 
ATOM   561  C CE2 . TRP   A 1 98  ? -11.467 -1.392  -11.698 1.00 23.84 ? 305 TRP   A CE2 1 
ATOM   562  C CE3 . TRP   A 1 98  ? -12.502 0.780   -11.470 1.00 27.82 ? 305 TRP   A CE3 1 
ATOM   563  C CZ2 . TRP   A 1 98  ? -12.575 -2.039  -11.154 1.00 29.07 ? 305 TRP   A CZ2 1 
ATOM   564  C CZ3 . TRP   A 1 98  ? -13.595 0.145   -10.923 1.00 28.16 ? 305 TRP   A CZ3 1 
ATOM   565  C CH2 . TRP   A 1 98  ? -13.622 -1.236  -10.756 1.00 28.93 ? 305 TRP   A CH2 1 
ATOM   566  N N   . MET   A 1 99  ? -9.596  1.566   -9.604  1.00 18.48 ? 306 MET   A N   1 
ATOM   567  C CA  . MET   A 1 99  ? -10.449 1.716   -8.386  1.00 18.85 ? 306 MET   A CA  1 
ATOM   568  C C   . MET   A 1 99  ? -9.739  2.666   -7.427  1.00 17.23 ? 306 MET   A C   1 
ATOM   569  O O   . MET   A 1 99  ? -10.418 3.503   -6.786  1.00 16.93 ? 306 MET   A O   1 
ATOM   570  C CB  . MET   A 1 99  ? -10.781 0.377   -7.724  1.00 20.29 ? 306 MET   A CB  1 
ATOM   571  C CG  . MET   A 1 99  ? -11.648 0.538   -6.484  1.00 22.44 ? 306 MET   A CG  1 
ATOM   572  S SD  . MET   A 1 99  ? -13.302 1.285   -6.778  1.00 25.50 ? 306 MET   A SD  1 
ATOM   573  C CE  . MET   A 1 99  ? -14.160 -0.199  -7.271  1.00 27.51 ? 306 MET   A CE  1 
ATOM   574  N N   . GLU   A 1 100 ? -8.411  2.577   -7.314  1.00 15.63 ? 307 GLU   A N   1 
ATOM   575  C CA  . GLU   A 1 100 ? -7.648  3.562   -6.515  1.00 16.56 ? 307 GLU   A CA  1 
ATOM   576  C C   . GLU   A 1 100 ? -7.948  4.964   -7.021  1.00 15.25 ? 307 GLU   A C   1 
ATOM   577  O O   . GLU   A 1 100 ? -8.089  5.902   -6.187  1.00 15.36 ? 307 GLU   A O   1 
ATOM   578  C CB  . GLU   A 1 100 ? -6.144  3.290   -6.550  1.00 18.40 ? 307 GLU   A CB  1 
ATOM   579  C CG  . GLU   A 1 100 ? -5.816  1.962   -5.898  1.00 22.63 ? 307 GLU   A CG  1 
ATOM   580  C CD  . GLU   A 1 100 ? -4.320  1.727   -5.669  1.00 31.06 ? 307 GLU   A CD  1 
ATOM   581  O OE1 . GLU   A 1 100 ? -3.556  2.718   -5.693  1.00 36.46 ? 307 GLU   A OE1 1 
ATOM   582  O OE2 . GLU   A 1 100 ? -3.931  0.576   -5.468  1.00 34.02 ? 307 GLU   A OE2 1 
ATOM   583  N N   . ILE   A 1 101 ? -7.972  5.182   -8.326  1.00 15.97 ? 308 ILE   A N   1 
ATOM   584  C CA  . ILE   A 1 101 ? -8.243  6.549   -8.855  1.00 17.23 ? 308 ILE   A CA  1 
ATOM   585  C C   . ILE   A 1 101 ? -9.696  6.987   -8.504  1.00 17.83 ? 308 ILE   A C   1 
ATOM   586  O O   . ILE   A 1 101 ? -9.914  8.151   -8.081  1.00 16.43 ? 308 ILE   A O   1 
ATOM   587  C CB  . ILE   A 1 101 ? -7.914  6.549   -10.364 1.00 19.50 ? 308 ILE   A CB  1 
ATOM   588  C CG1 . ILE   A 1 101 ? -6.412  6.326   -10.575 1.00 23.47 ? 308 ILE   A CG1 1 
ATOM   589  C CG2 . ILE   A 1 101 ? -8.406  7.801   -11.051 1.00 19.54 ? 308 ILE   A CG2 1 
ATOM   590  C CD1 . ILE   A 1 101 ? -6.114  5.791   -11.967 1.00 28.34 ? 308 ILE   A CD1 1 
ATOM   591  N N   . LEU   A 1 102 ? -10.662 6.103   -8.613  1.00 18.60 ? 309 LEU   A N   1 
ATOM   592  C CA  . LEU   A 1 102 ? -12.075 6.429   -8.260  1.00 20.84 ? 309 LEU   A CA  1 
ATOM   593  C C   . LEU   A 1 102 ? -12.125 6.788   -6.787  1.00 19.84 ? 309 LEU   A C   1 
ATOM   594  O O   . LEU   A 1 102 ? -12.675 7.831   -6.463  1.00 20.14 ? 309 LEU   A O   1 
ATOM   595  C CB  . LEU   A 1 102 ? -13.018 5.259   -8.506  1.00 22.94 ? 309 LEU   A CB  1 
ATOM   596  C CG  . LEU   A 1 102 ? -13.318 4.937   -9.959  1.00 24.23 ? 309 LEU   A CG  1 
ATOM   597  C CD1 . LEU   A 1 102 ? -14.173 3.702   -10.038 1.00 23.92 ? 309 LEU   A CD1 1 
ATOM   598  C CD2 . LEU   A 1 102 ? -13.995 6.116   -10.616 1.00 26.40 ? 309 LEU   A CD2 1 
ATOM   599  N N   . ILE   A 1 103 ? -11.460 5.993   -5.945  1.00 18.83 ? 310 ILE   A N   1 
ATOM   600  C CA  . ILE   A 1 103 ? -11.478 6.218   -4.466  1.00 19.39 ? 310 ILE   A CA  1 
ATOM   601  C C   . ILE   A 1 103 ? -10.863 7.575   -4.137  1.00 19.13 ? 310 ILE   A C   1 
ATOM   602  O O   . ILE   A 1 103 ? -11.428 8.319   -3.339  1.00 16.98 ? 310 ILE   A O   1 
ATOM   603  C CB  . ILE   A 1 103 ? -10.812 5.057   -3.719  1.00 20.90 ? 310 ILE   A CB  1 
ATOM   604  C CG1 . ILE   A 1 103 ? -11.715 3.829   -3.760  1.00 21.08 ? 310 ILE   A CG1 1 
ATOM   605  C CG2 . ILE   A 1 103 ? -10.473 5.468   -2.291  1.00 20.76 ? 310 ILE   A CG2 1 
ATOM   606  C CD1 . ILE   A 1 103 ? -11.045 2.551   -3.340  1.00 23.35 ? 310 ILE   A CD1 1 
ATOM   607  N N   . LEU   A 1 104 ? -9.708  7.909   -4.710  1.00 17.73 ? 311 LEU   A N   1 
ATOM   608  C CA  . LEU   A 1 104 ? -9.050  9.196   -4.450  1.00 18.24 ? 311 LEU   A CA  1 
ATOM   609  C C   . LEU   A 1 104 ? -9.971  10.361  -4.811  1.00 16.76 ? 311 LEU   A C   1 
ATOM   610  O O   . LEU   A 1 104 ? -9.886  11.358  -4.104  1.00 16.90 ? 311 LEU   A O   1 
ATOM   611  C CB  . LEU   A 1 104 ? -7.764  9.313   -5.271  1.00 20.77 ? 311 LEU   A CB  1 
ATOM   612  C CG  . LEU   A 1 104 ? -6.541  8.728   -4.599  1.00 23.83 ? 311 LEU   A CG  1 
ATOM   613  C CD1 . LEU   A 1 104 ? -5.312  8.846   -5.526  1.00 24.16 ? 311 LEU   A CD1 1 
ATOM   614  C CD2 . LEU   A 1 104 ? -6.277  9.409   -3.243  1.00 25.93 ? 311 LEU   A CD2 1 
ATOM   615  N N   . GLY   A 1 105 ? -10.769 10.263  -5.879  1.00 18.58 ? 312 GLY   A N   1 
ATOM   616  C CA  . GLY   A 1 105 ? -11.734 11.332  -6.233  1.00 19.22 ? 312 GLY   A CA  1 
ATOM   617  C C   . GLY   A 1 105 ? -12.775 11.512  -5.122  1.00 18.32 ? 312 GLY   A C   1 
ATOM   618  O O   . GLY   A 1 105 ? -12.984 12.622  -4.655  1.00 19.40 ? 312 GLY   A O   1 
ATOM   619  N N   . VAL   A 1 106 ? -13.348 10.418  -4.645  1.00 17.36 ? 313 VAL   A N   1 
ATOM   620  C CA  . VAL   A 1 106 ? -14.355 10.470  -3.538  1.00 18.38 ? 313 VAL   A CA  1 
ATOM   621  C C   . VAL   A 1 106 ? -13.669 11.109  -2.335  1.00 17.47 ? 313 VAL   A C   1 
ATOM   622  O O   . VAL   A 1 106 ? -14.203 12.090  -1.715  1.00 20.21 ? 313 VAL   A O   1 
ATOM   623  C CB  . VAL   A 1 106 ? -14.909 9.086   -3.181  1.00 20.50 ? 313 VAL   A CB  1 
ATOM   624  C CG1 . VAL   A 1 106 ? -15.898 9.165   -2.017  1.00 23.29 ? 313 VAL   A CG1 1 
ATOM   625  C CG2 . VAL   A 1 106 ? -15.545 8.430   -4.361  1.00 23.75 ? 313 VAL   A CG2 1 
ATOM   626  N N   . VAL   A 1 107 ? -12.482 10.624  -1.983  1.00 18.94 ? 314 VAL   A N   1 
ATOM   627  C CA  . VAL   A 1 107 ? -11.707 11.152  -0.842  1.00 20.58 ? 314 VAL   A CA  1 
ATOM   628  C C   . VAL   A 1 107 ? -11.531 12.663  -0.968  1.00 22.04 ? 314 VAL   A C   1 
ATOM   629  O O   . VAL   A 1 107 ? -11.770 13.391  0.006   1.00 24.20 ? 314 VAL   A O   1 
ATOM   630  C CB  . VAL   A 1 107 ? -10.348 10.425  -0.697  1.00 20.70 ? 314 VAL   A CB  1 
ATOM   631  C CG1 . VAL   A 1 107 ? -9.450  11.164  0.252   1.00 24.77 ? 314 VAL   A CG1 1 
ATOM   632  C CG2 . VAL   A 1 107 ? -10.570 8.990   -0.272  1.00 21.62 ? 314 VAL   A CG2 1 
ATOM   633  N N   . TYR   A 1 108 ? -11.036 13.146  -2.098  1.00 22.71 ? 315 TYR   A N   1 
ATOM   634  C CA  . TYR   A 1 108 ? -10.762 14.577  -2.273  1.00 22.45 ? 315 TYR   A CA  1 
ATOM   635  C C   . TYR   A 1 108 ? -12.060 15.401  -2.105  1.00 18.36 ? 315 TYR   A C   1 
ATOM   636  O O   . TYR   A 1 108 ? -12.033 16.437  -1.401  1.00 19.46 ? 315 TYR   A O   1 
ATOM   637  C CB  . TYR   A 1 108 ? -10.028 14.814  -3.602  1.00 23.47 ? 315 TYR   A CB  1 
ATOM   638  C CG  . TYR   A 1 108 ? -9.704  16.273  -3.758  1.00 28.70 ? 315 TYR   A CG  1 
ATOM   639  C CD1 . TYR   A 1 108 ? -8.702  16.838  -2.993  1.00 29.34 ? 315 TYR   A CD1 1 
ATOM   640  C CD2 . TYR   A 1 108 ? -10.482 17.105  -4.553  1.00 32.02 ? 315 TYR   A CD2 1 
ATOM   641  C CE1 . TYR   A 1 108 ? -8.431  18.188  -3.057  1.00 33.82 ? 315 TYR   A CE1 1 
ATOM   642  C CE2 . TYR   A 1 108 ? -10.240 18.477  -4.610  1.00 34.87 ? 315 TYR   A CE2 1 
ATOM   643  C CZ  . TYR   A 1 108 ? -9.216  19.006  -3.846  1.00 33.62 ? 315 TYR   A CZ  1 
ATOM   644  O OH  . TYR   A 1 108 ? -8.902  20.324  -3.856  1.00 43.44 ? 315 TYR   A OH  1 
ATOM   645  N N   . ARG   A 1 109 ? -13.144 14.978  -2.733  1.00 21.28 ? 316 ARG   A N   1 
ATOM   646  C CA  . ARG   A 1 109 ? -14.443 15.704  -2.685  1.00 21.35 ? 316 ARG   A CA  1 
ATOM   647  C C   . ARG   A 1 109 ? -14.983 15.740  -1.257  1.00 25.43 ? 316 ARG   A C   1 
ATOM   648  O O   . ARG   A 1 109 ? -15.805 16.643  -0.955  1.00 23.68 ? 316 ARG   A O   1 
ATOM   649  C CB  . ARG   A 1 109 ? -15.432 15.059  -3.643  1.00 21.55 ? 316 ARG   A CB  1 
ATOM   650  C CG  . ARG   A 1 109 ? -15.031 15.311  -5.081  1.00 22.41 ? 316 ARG   A CG  1 
ATOM   651  C CD  . ARG   A 1 109 ? -16.061 14.809  -6.058  1.00 21.85 ? 316 ARG   A CD  1 
ATOM   652  N NE  . ARG   A 1 109 ? -16.318 13.382  -6.037  1.00 24.35 ? 316 ARG   A NE  1 
ATOM   653  C CZ  . ARG   A 1 109 ? -15.716 12.457  -6.768  1.00 22.83 ? 316 ARG   A CZ  1 
ATOM   654  N NH1 . ARG   A 1 109 ? -14.725 12.759  -7.566  1.00 23.99 ? 316 ARG   A NH1 1 
ATOM   655  N NH2 . ARG   A 1 109 ? -16.102 11.209  -6.697  1.00 27.22 ? 316 ARG   A NH2 1 
ATOM   656  N N   . SER   A 1 110 ? -14.541 14.813  -0.404  1.00 23.42 ? 317 SER   A N   1 
ATOM   657  C CA  . SER   A 1 110 ? -15.107 14.579  0.944   1.00 22.86 ? 317 SER   A CA  1 
ATOM   658  C C   . SER   A 1 110 ? -14.344 15.331  2.045   1.00 24.77 ? 317 SER   A C   1 
ATOM   659  O O   . SER   A 1 110 ? -14.834 15.306  3.205   1.00 26.46 ? 317 SER   A O   1 
ATOM   660  C CB  . SER   A 1 110 ? -15.226 13.109  1.253   1.00 20.50 ? 317 SER   A CB  1 
ATOM   661  O OG  . SER   A 1 110 ? -16.008 12.416  0.283   1.00 20.53 ? 317 SER   A OG  1 
ATOM   662  N N   . LEU   A 1 111 ? -13.246 16.028  1.724   1.00 26.03 ? 318 LEU   A N   1 
ATOM   663  C CA  . LEU   A 1 111 ? -12.298 16.576  2.726   1.00 26.16 ? 318 LEU   A CA  1 
ATOM   664  C C   . LEU   A 1 111 ? -12.965 17.707  3.535   1.00 29.99 ? 318 LEU   A C   1 
ATOM   665  O O   . LEU   A 1 111 ? -12.572 17.930  4.654   1.00 29.11 ? 318 LEU   A O   1 
ATOM   666  C CB  . LEU   A 1 111 ? -11.056 17.126  2.039   1.00 26.75 ? 318 LEU   A CB  1 
ATOM   667  C CG  . LEU   A 1 111 ? -10.079 16.089  1.468   1.00 26.52 ? 318 LEU   A CG  1 
ATOM   668  C CD1 . LEU   A 1 111 ? -8.915  16.775  0.782   1.00 28.02 ? 318 LEU   A CD1 1 
ATOM   669  C CD2 . LEU   A 1 111 ? -9.590  15.125  2.531   1.00 29.74 ? 318 LEU   A CD2 1 
ATOM   670  N N   . SER   A 1 112 ? -13.915 18.427  2.976   1.00 31.40 ? 319 SER   A N   1 
ATOM   671  C CA  A SER   A 1 112 ? -14.589 19.536  3.706   0.50 33.92 ? 319 SER   A CA  1 
ATOM   672  C CA  B SER   A 1 112 ? -14.604 19.538  3.691   0.50 33.65 ? 319 SER   A CA  1 
ATOM   673  C C   . SER   A 1 112 ? -15.833 19.024  4.446   1.00 35.14 ? 319 SER   A C   1 
ATOM   674  O O   . SER   A 1 112 ? -16.506 19.852  5.077   1.00 38.68 ? 319 SER   A O   1 
ATOM   675  C CB  A SER   A 1 112 ? -14.937 20.638  2.756   0.50 33.50 ? 319 SER   A CB  1 
ATOM   676  C CB  B SER   A 1 112 ? -14.986 20.642  2.744   0.50 32.91 ? 319 SER   A CB  1 
ATOM   677  O OG  A SER   A 1 112 ? -15.807 20.138  1.762   0.50 32.61 ? 319 SER   A OG  1 
ATOM   678  O OG  B SER   A 1 112 ? -13.861 21.443  2.452   0.50 31.25 ? 319 SER   A OG  1 
ATOM   679  N N   . PHE   A 1 113 ? -16.145 17.729  4.353   1.00 31.30 ? 320 PHE   A N   1 
ATOM   680  C CA  . PHE   A 1 113 ? -17.298 17.101  5.052   1.00 29.26 ? 320 PHE   A CA  1 
ATOM   681  C C   . PHE   A 1 113 ? -16.811 16.361  6.303   1.00 34.24 ? 320 PHE   A C   1 
ATOM   682  O O   . PHE   A 1 113 ? -15.593 16.139  6.489   1.00 35.47 ? 320 PHE   A O   1 
ATOM   683  C CB  . PHE   A 1 113 ? -18.085 16.184  4.117   1.00 31.31 ? 320 PHE   A CB  1 
ATOM   684  C CG  . PHE   A 1 113 ? -18.806 16.943  3.033   1.00 31.71 ? 320 PHE   A CG  1 
ATOM   685  C CD1 . PHE   A 1 113 ? -18.092 17.590  2.028   1.00 31.34 ? 320 PHE   A CD1 1 
ATOM   686  C CD2 . PHE   A 1 113 ? -20.180 17.100  3.072   1.00 35.32 ? 320 PHE   A CD2 1 
ATOM   687  C CE1 . PHE   A 1 113 ? -18.742 18.307  1.037   1.00 34.14 ? 320 PHE   A CE1 1 
ATOM   688  C CE2 . PHE   A 1 113 ? -20.834 17.835  2.091   1.00 35.00 ? 320 PHE   A CE2 1 
ATOM   689  C CZ  . PHE   A 1 113 ? -20.115 18.444  1.082   1.00 34.82 ? 320 PHE   A CZ  1 
ATOM   690  N N   . GLU   A 1 114 ? -17.759 15.996  7.161   1.00 35.51 ? 321 GLU   A N   1 
ATOM   691  C CA  . GLU   A 1 114 ? -17.528 15.163  8.360   1.00 38.05 ? 321 GLU   A CA  1 
ATOM   692  C C   . GLU   A 1 114 ? -18.433 13.949  8.259   1.00 33.50 ? 321 GLU   A C   1 
ATOM   693  O O   . GLU   A 1 114 ? -19.653 14.129  8.178   1.00 38.42 ? 321 GLU   A O   1 
ATOM   694  C CB  . GLU   A 1 114 ? -17.757 16.001  9.614   1.00 47.69 ? 321 GLU   A CB  1 
ATOM   695  C CG  . GLU   A 1 114 ? -16.500 16.741  10.027  1.00 54.90 ? 321 GLU   A CG  1 
ATOM   696  C CD  . GLU   A 1 114 ? -16.677 17.716  11.178  1.00 65.03 ? 321 GLU   A CD  1 
ATOM   697  O OE1 . GLU   A 1 114 ? -17.385 17.361  12.149  1.00 71.51 ? 321 GLU   A OE1 1 
ATOM   698  O OE2 . GLU   A 1 114 ? -16.116 18.832  11.095  1.00 64.42 ? 321 GLU   A OE2 1 
ATOM   699  N N   . ASP   A 1 115 ? -17.829 12.770  8.133   1.00 34.48 ? 322 ASP   A N   1 
ATOM   700  C CA  . ASP   A 1 115 ? -18.509 11.448  8.179   1.00 36.57 ? 322 ASP   A CA  1 
ATOM   701  C C   . ASP   A 1 115 ? -19.463 11.279  7.000   1.00 35.45 ? 322 ASP   A C   1 
ATOM   702  O O   . ASP   A 1 115 ? -20.416 10.529  7.134   1.00 31.65 ? 322 ASP   A O   1 
ATOM   703  C CB  . ASP   A 1 115 ? -19.258 11.245  9.501   1.00 41.99 ? 322 ASP   A CB  1 
ATOM   704  C CG  . ASP   A 1 115 ? -18.313 11.389  10.679  1.00 49.37 ? 322 ASP   A CG  1 
ATOM   705  O OD1 . ASP   A 1 115 ? -17.214 10.779  10.628  1.00 51.46 ? 322 ASP   A OD1 1 
ATOM   706  O OD2 . ASP   A 1 115 ? -18.644 12.152  11.595  1.00 58.48 ? 322 ASP   A OD2 1 
ATOM   707  N N   . GLU   A 1 116 ? -19.181 11.914  5.873   1.00 29.21 ? 323 GLU   A N   1 
ATOM   708  C CA  . GLU   A 1 116 ? -19.984 11.785  4.642   1.00 31.98 ? 323 GLU   A CA  1 
ATOM   709  C C   . GLU   A 1 116 ? -19.008 11.650  3.476   1.00 24.30 ? 323 GLU   A C   1 
ATOM   710  O O   . GLU   A 1 116 ? -17.947 12.252  3.528   1.00 27.32 ? 323 GLU   A O   1 
ATOM   711  C CB  . GLU   A 1 116 ? -20.945 12.972  4.480   1.00 35.62 ? 323 GLU   A CB  1 
ATOM   712  C CG  . GLU   A 1 116 ? -22.012 12.988  5.568   1.00 40.39 ? 323 GLU   A CG  1 
ATOM   713  C CD  . GLU   A 1 116 ? -23.051 14.094  5.533   1.00 48.37 ? 323 GLU   A CD  1 
ATOM   714  O OE1 . GLU   A 1 116 ? -22.888 15.043  4.723   1.00 48.97 ? 323 GLU   A OE1 1 
ATOM   715  O OE2 . GLU   A 1 116 ? -24.027 13.999  6.328   1.00 56.05 ? 323 GLU   A OE2 1 
ATOM   716  N N   . LEU   A 1 117 ? -19.413 10.868  2.490   1.00 24.28 ? 324 LEU   A N   1 
ATOM   717  C CA  . LEU   A 1 117 ? -18.633 10.614  1.252   1.00 21.09 ? 324 LEU   A CA  1 
ATOM   718  C C   . LEU   A 1 117 ? -19.371 11.252  0.082   1.00 22.79 ? 324 LEU   A C   1 
ATOM   719  O O   . LEU   A 1 117 ? -20.537 10.898  -0.169  1.00 26.12 ? 324 LEU   A O   1 
ATOM   720  C CB  . LEU   A 1 117 ? -18.443 9.125   1.064   1.00 21.48 ? 324 LEU   A CB  1 
ATOM   721  C CG  . LEU   A 1 117 ? -17.560 8.481   2.135   1.00 24.66 ? 324 LEU   A CG  1 
ATOM   722  C CD1 . LEU   A 1 117 ? -17.398 7.016   1.822   1.00 26.59 ? 324 LEU   A CD1 1 
ATOM   723  C CD2 . LEU   A 1 117 ? -16.213 9.181   2.267   1.00 24.91 ? 324 LEU   A CD2 1 
ATOM   724  N N   . VAL   A 1 118 ? -18.695 12.184  -0.561  1.00 24.34 ? 325 VAL   A N   1 
ATOM   725  C CA  . VAL   A 1 118 ? -19.219 12.893  -1.743  1.00 21.37 ? 325 VAL   A CA  1 
ATOM   726  C C   . VAL   A 1 118 ? -18.850 12.053  -2.953  1.00 22.29 ? 325 VAL   A C   1 
ATOM   727  O O   . VAL   A 1 118 ? -17.827 12.357  -3.559  1.00 21.41 ? 325 VAL   A O   1 
ATOM   728  C CB  . VAL   A 1 118 ? -18.676 14.324  -1.785  1.00 23.14 ? 325 VAL   A CB  1 
ATOM   729  C CG1 . VAL   A 1 118 ? -19.234 15.120  -2.960  1.00 23.51 ? 325 VAL   A CG1 1 
ATOM   730  C CG2 . VAL   A 1 118 ? -18.947 15.057  -0.476  1.00 25.78 ? 325 VAL   A CG2 1 
ATOM   731  N N   . TYR   A 1 119 ? -19.670 11.074  -3.319  1.00 20.19 ? 326 TYR   A N   1 
ATOM   732  C CA  . TYR   A 1 119 ? -19.485 10.322  -4.574  1.00 22.07 ? 326 TYR   A CA  1 
ATOM   733  C C   . TYR   A 1 119 ? -19.660 11.305  -5.745  1.00 25.47 ? 326 TYR   A C   1 
ATOM   734  O O   . TYR   A 1 119 ? -18.925 11.264  -6.728  1.00 21.82 ? 326 TYR   A O   1 
ATOM   735  C CB  . TYR   A 1 119 ? -20.416 9.120   -4.585  1.00 22.96 ? 326 TYR   A CB  1 
ATOM   736  C CG  . TYR   A 1 119 ? -19.874 7.965   -3.795  1.00 23.75 ? 326 TYR   A CG  1 
ATOM   737  C CD1 . TYR   A 1 119 ? -20.086 7.851   -2.440  1.00 29.75 ? 326 TYR   A CD1 1 
ATOM   738  C CD2 . TYR   A 1 119 ? -19.168 6.959   -4.423  1.00 23.64 ? 326 TYR   A CD2 1 
ATOM   739  C CE1 . TYR   A 1 119 ? -19.570 6.777   -1.716  1.00 30.73 ? 326 TYR   A CE1 1 
ATOM   740  C CE2 . TYR   A 1 119 ? -18.631 5.894   -3.718  1.00 28.52 ? 326 TYR   A CE2 1 
ATOM   741  C CZ  . TYR   A 1 119 ? -18.843 5.793   -2.357  1.00 33.30 ? 326 TYR   A CZ  1 
ATOM   742  O OH  . TYR   A 1 119 ? -18.361 4.709   -1.674  1.00 36.52 ? 326 TYR   A OH  1 
ATOM   743  N N   . ALA   A 1 120 ? -20.621 12.209  -5.607  1.00 23.62 ? 327 ALA   A N   1 
ATOM   744  C CA  . ALA   A 1 120 ? -20.895 13.287  -6.571  1.00 24.03 ? 327 ALA   A CA  1 
ATOM   745  C C   . ALA   A 1 120 ? -21.608 14.395  -5.807  1.00 26.48 ? 327 ALA   A C   1 
ATOM   746  O O   . ALA   A 1 120 ? -22.099 14.146  -4.650  1.00 24.57 ? 327 ALA   A O   1 
ATOM   747  C CB  . ALA   A 1 120 ? -21.695 12.720  -7.751  1.00 24.87 ? 327 ALA   A CB  1 
ATOM   748  N N   . ASP   A 1 121 ? -21.694 15.584  -6.400  1.00 28.38 ? 328 ASP   A N   1 
ATOM   749  C CA  . ASP   A 1 121 ? -22.358 16.722  -5.721  1.00 32.57 ? 328 ASP   A CA  1 
ATOM   750  C C   . ASP   A 1 121 ? -23.814 16.352  -5.422  1.00 28.56 ? 328 ASP   A C   1 
ATOM   751  O O   . ASP   A 1 121 ? -24.342 16.934  -4.472  1.00 28.15 ? 328 ASP   A O   1 
ATOM   752  C CB  . ASP   A 1 121 ? -22.305 18.013  -6.544  1.00 38.17 ? 328 ASP   A CB  1 
ATOM   753  C CG  . ASP   A 1 121 ? -20.945 18.681  -6.527  1.00 39.34 ? 328 ASP   A CG  1 
ATOM   754  O OD1 . ASP   A 1 121 ? -20.103 18.273  -5.715  1.00 41.33 ? 328 ASP   A OD1 1 
ATOM   755  O OD2 . ASP   A 1 121 ? -20.738 19.595  -7.340  1.00 45.86 ? 328 ASP   A OD2 1 
ATOM   756  N N   . ASP   A 1 122 ? -24.435 15.476  -6.222  1.00 30.06 ? 329 ASP   A N   1 
ATOM   757  C CA  . ASP   A 1 122 ? -25.853 15.048  -6.049  1.00 30.03 ? 329 ASP   A CA  1 
ATOM   758  C C   . ASP   A 1 122 ? -25.903 13.654  -5.425  1.00 28.79 ? 329 ASP   A C   1 
ATOM   759  O O   . ASP   A 1 122 ? -26.928 13.016  -5.559  1.00 27.06 ? 329 ASP   A O   1 
ATOM   760  C CB  . ASP   A 1 122 ? -26.621 15.028  -7.376  1.00 30.79 ? 329 ASP   A CB  1 
ATOM   761  C CG  . ASP   A 1 122 ? -26.061 14.125  -8.447  1.00 28.47 ? 329 ASP   A CG  1 
ATOM   762  O OD1 . ASP   A 1 122 ? -24.836 13.776  -8.381  1.00 30.37 ? 329 ASP   A OD1 1 
ATOM   763  O OD2 . ASP   A 1 122 ? -26.823 13.788  -9.382  1.00 26.73 ? 329 ASP   A OD2 1 
ATOM   764  N N   . TYR   A 1 123 ? -24.829 13.161  -4.797  1.00 27.14 ? 330 TYR   A N   1 
ATOM   765  C CA  . TYR   A 1 123 ? -24.838 11.793  -4.226  1.00 26.00 ? 330 TYR   A CA  1 
ATOM   766  C C   . TYR   A 1 123 ? -23.848 11.728  -3.071  1.00 26.30 ? 330 TYR   A C   1 
ATOM   767  O O   . TYR   A 1 123 ? -22.670 11.333  -3.250  1.00 24.58 ? 330 TYR   A O   1 
ATOM   768  C CB  . TYR   A 1 123 ? -24.632 10.755  -5.317  1.00 25.75 ? 330 TYR   A CB  1 
ATOM   769  C CG  . TYR   A 1 123 ? -25.317 9.449   -5.003  1.00 31.72 ? 330 TYR   A CG  1 
ATOM   770  C CD1 . TYR   A 1 123 ? -26.692 9.341   -5.178  1.00 33.50 ? 330 TYR   A CD1 1 
ATOM   771  C CD2 . TYR   A 1 123 ? -24.637 8.352   -4.505  1.00 30.98 ? 330 TYR   A CD2 1 
ATOM   772  C CE1 . TYR   A 1 123 ? -27.366 8.166   -4.912  1.00 32.77 ? 330 TYR   A CE1 1 
ATOM   773  C CE2 . TYR   A 1 123 ? -25.299 7.167   -4.214  1.00 35.29 ? 330 TYR   A CE2 1 
ATOM   774  C CZ  . TYR   A 1 123 ? -26.673 7.085   -4.408  1.00 35.57 ? 330 TYR   A CZ  1 
ATOM   775  O OH  . TYR   A 1 123 ? -27.379 5.949   -4.157  1.00 37.66 ? 330 TYR   A OH  1 
ATOM   776  N N   . ILE   A 1 124 ? -24.303 12.199  -1.919  1.00 26.22 ? 331 ILE   A N   1 
ATOM   777  C CA  . ILE   A 1 124 ? -23.477 12.288  -0.686  1.00 25.83 ? 331 ILE   A CA  1 
ATOM   778  C C   . ILE   A 1 124 ? -23.989 11.230  0.286   1.00 30.88 ? 331 ILE   A C   1 
ATOM   779  O O   . ILE   A 1 124 ? -25.201 11.219  0.599   1.00 28.62 ? 331 ILE   A O   1 
ATOM   780  C CB  . ILE   A 1 124 ? -23.509 13.708  -0.116  1.00 26.83 ? 331 ILE   A CB  1 
ATOM   781  C CG1 . ILE   A 1 124 ? -23.105 14.752  -1.155  1.00 28.51 ? 331 ILE   A CG1 1 
ATOM   782  C CG2 . ILE   A 1 124 ? -22.661 13.802  1.120   1.00 25.75 ? 331 ILE   A CG2 1 
ATOM   783  C CD1 . ILE   A 1 124 ? -23.055 16.170  -0.607  1.00 30.69 ? 331 ILE   A CD1 1 
ATOM   784  N N   . MET   A 1 125 ? -23.136 10.297  0.672   1.00 27.29 ? 332 MET   A N   1 
ATOM   785  C CA  . MET   A 1 125 ? -23.581 9.118   1.441   1.00 29.80 ? 332 MET   A CA  1 
ATOM   786  C C   . MET   A 1 125 ? -23.163 9.307   2.876   1.00 30.33 ? 332 MET   A C   1 
ATOM   787  O O   . MET   A 1 125 ? -21.981 9.447   3.116   1.00 28.09 ? 332 MET   A O   1 
ATOM   788  C CB  . MET   A 1 125 ? -22.960 7.820   0.934   1.00 30.75 ? 332 MET   A CB  1 
ATOM   789  C CG  . MET   A 1 125 ? -23.361 7.521   -0.475  1.00 33.88 ? 332 MET   A CG  1 
ATOM   790  S SD  . MET   A 1 125 ? -23.027 5.787   -0.910  1.00 43.68 ? 332 MET   A SD  1 
ATOM   791  C CE  . MET   A 1 125 ? -24.118 4.967   0.238   1.00 33.18 ? 332 MET   A CE  1 
ATOM   792  N N   . ASP   A 1 126 ? -24.122 9.330   3.800   1.00 35.09 ? 333 ASP   A N   1 
ATOM   793  C CA  . ASP   A 1 126 ? -23.816 9.235   5.249   1.00 34.66 ? 333 ASP   A CA  1 
ATOM   794  C C   . ASP   A 1 126 ? -23.915 7.754   5.659   1.00 30.24 ? 333 ASP   A C   1 
ATOM   795  O O   . ASP   A 1 126 ? -24.243 6.889   4.828   1.00 30.86 ? 333 ASP   A O   1 
ATOM   796  C CB  . ASP   A 1 126 ? -24.733 10.167  6.060   1.00 39.57 ? 333 ASP   A CB  1 
ATOM   797  C CG  . ASP   A 1 126 ? -26.217 9.883   5.893   1.00 37.45 ? 333 ASP   A CG  1 
ATOM   798  O OD1 . ASP   A 1 126 ? -26.575 8.722   5.590   1.00 41.23 ? 333 ASP   A OD1 1 
ATOM   799  O OD2 . ASP   A 1 126 ? -27.017 10.821  6.106   1.00 49.42 ? 333 ASP   A OD2 1 
ATOM   800  N N   . GLU   A 1 127 ? -23.674 7.477   6.935   1.00 39.21 ? 334 GLU   A N   1 
ATOM   801  C CA  . GLU   A 1 127 ? -23.804 6.132   7.570   1.00 42.14 ? 334 GLU   A CA  1 
ATOM   802  C C   . GLU   A 1 127 ? -25.137 5.476   7.205   1.00 39.27 ? 334 GLU   A C   1 
ATOM   803  O O   . GLU   A 1 127 ? -25.132 4.297   6.788   1.00 43.57 ? 334 GLU   A O   1 
ATOM   804  C CB  . GLU   A 1 127 ? -23.703 6.258   9.090   1.00 50.86 ? 334 GLU   A CB  1 
ATOM   805  C CG  . GLU   A 1 127 ? -23.384 4.952   9.787   1.00 58.91 ? 334 GLU   A CG  1 
ATOM   806  C CD  . GLU   A 1 127 ? -23.482 4.987   11.305  1.00 68.28 ? 334 GLU   A CD  1 
ATOM   807  O OE1 . GLU   A 1 127 ? -23.552 6.100   11.874  1.00 69.76 ? 334 GLU   A OE1 1 
ATOM   808  O OE2 . GLU   A 1 127 ? -23.497 3.893   11.920  1.00 77.12 ? 334 GLU   A OE2 1 
ATOM   809  N N   . ASP   A 1 128 ? -26.242 6.204   7.372   1.00 43.63 ? 335 ASP   A N   1 
ATOM   810  C CA  . ASP   A 1 128 ? -27.604 5.671   7.121   1.00 44.96 ? 335 ASP   A CA  1 
ATOM   811  C C   . ASP   A 1 128 ? -27.635 5.110   5.709   1.00 43.56 ? 335 ASP   A C   1 
ATOM   812  O O   . ASP   A 1 128 ? -28.000 3.945   5.548   1.00 44.66 ? 335 ASP   A O   1 
ATOM   813  C CB  . ASP   A 1 128 ? -28.690 6.739   7.311   1.00 51.67 ? 335 ASP   A CB  1 
ATOM   814  C CG  . ASP   A 1 128 ? -28.951 7.111   8.767   1.00 53.78 ? 335 ASP   A CG  1 
ATOM   815  O OD1 . ASP   A 1 128 ? -28.724 6.251   9.635   1.00 51.05 ? 335 ASP   A OD1 1 
ATOM   816  O OD2 . ASP   A 1 128 ? -29.378 8.262   9.022   1.00 57.10 ? 335 ASP   A OD2 1 
ATOM   817  N N   . GLN   A 1 129 ? -27.273 5.933   4.722   1.00 43.71 ? 336 GLN   A N   1 
ATOM   818  C CA  . GLN   A 1 129 ? -27.304 5.532   3.291   1.00 40.59 ? 336 GLN   A CA  1 
ATOM   819  C C   . GLN   A 1 129 ? -26.286 4.408   3.087   1.00 34.84 ? 336 GLN   A C   1 
ATOM   820  O O   . GLN   A 1 129 ? -26.595 3.463   2.381   1.00 37.46 ? 336 GLN   A O   1 
ATOM   821  C CB  . GLN   A 1 129 ? -27.074 6.758   2.408   1.00 45.92 ? 336 GLN   A CB  1 
ATOM   822  C CG  . GLN   A 1 129 ? -28.345 7.575   2.198   1.00 51.03 ? 336 GLN   A CG  1 
ATOM   823  C CD  . GLN   A 1 129 ? -28.176 9.058   2.434   1.00 56.24 ? 336 GLN   A CD  1 
ATOM   824  O OE1 . GLN   A 1 129 ? -27.110 9.648   2.216   1.00 48.88 ? 336 GLN   A OE1 1 
ATOM   825  N NE2 . GLN   A 1 129 ? -29.256 9.683   2.876   1.00 56.28 ? 336 GLN   A NE2 1 
ATOM   826  N N   . SER   A 1 130 ? -25.125 4.459   3.736   1.00 35.11 ? 337 SER   A N   1 
ATOM   827  C CA  . SER   A 1 130 ? -24.124 3.376   3.566   1.00 39.46 ? 337 SER   A CA  1 
ATOM   828  C C   . SER   A 1 130 ? -24.716 2.029   4.034   1.00 37.80 ? 337 SER   A C   1 
ATOM   829  O O   . SER   A 1 130 ? -24.613 1.030   3.283   1.00 37.38 ? 337 SER   A O   1 
ATOM   830  C CB  . SER   A 1 130 ? -22.839 3.746   4.247   1.00 39.51 ? 337 SER   A CB  1 
ATOM   831  O OG  . SER   A 1 130 ? -22.287 4.914   3.637   1.00 35.62 ? 337 SER   A OG  1 
ATOM   832  N N   . LYS   A 1 131 ? -25.373 2.002   5.196   1.00 43.14 ? 338 LYS   A N   1 
ATOM   833  C CA  . LYS   A 1 131 ? -26.028 0.763   5.722   1.00 43.14 ? 338 LYS   A CA  1 
ATOM   834  C C   . LYS   A 1 131 ? -27.062 0.268   4.719   1.00 40.85 ? 338 LYS   A C   1 
ATOM   835  O O   . LYS   A 1 131 ? -27.026 -0.910  4.362   1.00 45.00 ? 338 LYS   A O   1 
ATOM   836  C CB  . LYS   A 1 131 ? -26.740 1.029   7.045   1.00 48.59 ? 338 LYS   A CB  1 
ATOM   837  C CG  . LYS   A 1 131 ? -25.825 1.223   8.242   1.00 54.24 ? 338 LYS   A CG  1 
ATOM   838  C CD  . LYS   A 1 131 ? -26.545 1.561   9.541   1.00 60.49 ? 338 LYS   A CD  1 
ATOM   839  C CE  . LYS   A 1 131 ? -25.588 1.603   10.714  1.00 62.80 ? 338 LYS   A CE  1 
ATOM   840  N NZ  . LYS   A 1 131 ? -26.189 2.266   11.892  1.00 68.54 ? 338 LYS   A NZ  1 
ATOM   841  N N   . LEU   A 1 132 ? -27.917 1.164   4.238   1.00 45.32 ? 339 LEU   A N   1 
ATOM   842  C CA  . LEU   A 1 132 ? -28.973 0.814   3.250   1.00 46.85 ? 339 LEU   A CA  1 
ATOM   843  C C   . LEU   A 1 132 ? -28.349 0.220   1.976   1.00 46.61 ? 339 LEU   A C   1 
ATOM   844  O O   . LEU   A 1 132 ? -29.002 -0.661  1.375   1.00 42.05 ? 339 LEU   A O   1 
ATOM   845  C CB  . LEU   A 1 132 ? -29.820 2.055   2.950   1.00 51.68 ? 339 LEU   A CB  1 
ATOM   846  C CG  . LEU   A 1 132 ? -30.713 2.530   4.105   1.00 59.97 ? 339 LEU   A CG  1 
ATOM   847  C CD1 . LEU   A 1 132 ? -31.425 3.830   3.744   1.00 61.52 ? 339 LEU   A CD1 1 
ATOM   848  C CD2 . LEU   A 1 132 ? -31.722 1.458   4.516   1.00 57.41 ? 339 LEU   A CD2 1 
ATOM   849  N N   . ALA   A 1 133 ? -27.140 0.655   1.574   1.00 41.40 ? 340 ALA   A N   1 
ATOM   850  C CA  . ALA   A 1 133 ? -26.476 0.162   0.337   1.00 40.01 ? 340 ALA   A CA  1 
ATOM   851  C C   . ALA   A 1 133 ? -25.679 -1.126  0.610   1.00 38.34 ? 340 ALA   A C   1 
ATOM   852  O O   . ALA   A 1 133 ? -25.259 -1.768  -0.395  1.00 34.78 ? 340 ALA   A O   1 
ATOM   853  C CB  . ALA   A 1 133 ? -25.567 1.228   -0.222  1.00 39.08 ? 340 ALA   A CB  1 
ATOM   854  N N   . GLY   A 1 134 ? -25.458 -1.461  1.893   1.00 38.57 ? 341 GLY   A N   1 
ATOM   855  C CA  . GLY   A 1 134 ? -24.612 -2.591  2.340   1.00 41.96 ? 341 GLY   A CA  1 
ATOM   856  C C   . GLY   A 1 134 ? -23.135 -2.253  2.178   1.00 37.54 ? 341 GLY   A C   1 
ATOM   857  O O   . GLY   A 1 134 ? -22.344 -3.155  1.898   1.00 30.85 ? 341 GLY   A O   1 
ATOM   858  N N   . LEU   A 1 135 ? -22.804 -0.969  2.289   1.00 36.31 ? 342 LEU   A N   1 
ATOM   859  C CA  . LEU   A 1 135 ? -21.464 -0.412  1.956   1.00 37.93 ? 342 LEU   A CA  1 
ATOM   860  C C   . LEU   A 1 135 ? -20.819 0.129   3.227   1.00 35.75 ? 342 LEU   A C   1 
ATOM   861  O O   . LEU   A 1 135 ? -19.778 0.799   3.102   1.00 35.99 ? 342 LEU   A O   1 
ATOM   862  C CB  . LEU   A 1 135 ? -21.613 0.708   0.917   1.00 33.74 ? 342 LEU   A CB  1 
ATOM   863  C CG  . LEU   A 1 135 ? -21.922 0.277   -0.511  1.00 37.82 ? 342 LEU   A CG  1 
ATOM   864  C CD1 . LEU   A 1 135 ? -22.106 1.503   -1.386  1.00 40.52 ? 342 LEU   A CD1 1 
ATOM   865  C CD2 . LEU   A 1 135 ? -20.836 -0.622  -1.088  1.00 33.72 ? 342 LEU   A CD2 1 
ATOM   866  N N   . LEU   A 1 136 ? -21.343 -0.206  4.410   1.00 37.41 ? 343 LEU   A N   1 
ATOM   867  C CA  . LEU   A 1 136 ? -20.915 0.454   5.665   1.00 40.54 ? 343 LEU   A CA  1 
ATOM   868  C C   . LEU   A 1 136 ? -19.418 0.249   5.887   1.00 36.54 ? 343 LEU   A C   1 
ATOM   869  O O   . LEU   A 1 136 ? -18.737 1.213   6.316   1.00 35.01 ? 343 LEU   A O   1 
ATOM   870  C CB  . LEU   A 1 136 ? -21.701 -0.089  6.861   1.00 45.58 ? 343 LEU   A CB  1 
ATOM   871  C CG  . LEU   A 1 136 ? -21.381 0.654   8.156   1.00 47.53 ? 343 LEU   A CG  1 
ATOM   872  C CD1 . LEU   A 1 136 ? -21.606 2.144   7.986   1.00 45.47 ? 343 LEU   A CD1 1 
ATOM   873  C CD2 . LEU   A 1 136 ? -22.203 0.123   9.318   1.00 53.63 ? 343 LEU   A CD2 1 
ATOM   874  N N   . ASP   A 1 137 ? -18.939 -0.970  5.666   1.00 36.65 ? 344 ASP   A N   1 
ATOM   875  C CA  . ASP   A 1 137 ? -17.526 -1.364  5.913   1.00 38.16 ? 344 ASP   A CA  1 
ATOM   876  C C   . ASP   A 1 137 ? -16.610 -0.691  4.886   1.00 32.22 ? 344 ASP   A C   1 
ATOM   877  O O   . ASP   A 1 137 ? -15.587 -0.104  5.298   1.00 31.14 ? 344 ASP   A O   1 
ATOM   878  C CB  . ASP   A 1 137 ? -17.328 -2.880  5.834   1.00 45.93 ? 344 ASP   A CB  1 
ATOM   879  C CG  . ASP   A 1 137 ? -17.850 -3.659  7.042   1.00 61.78 ? 344 ASP   A CG  1 
ATOM   880  O OD1 . ASP   A 1 137 ? -18.487 -3.038  7.950   1.00 57.75 ? 344 ASP   A OD1 1 
ATOM   881  O OD2 . ASP   A 1 137 ? -17.611 -4.899  7.078   1.00 69.26 ? 344 ASP   A OD2 1 
ATOM   882  N N   . LEU   A 1 138 ? -16.930 -0.816  3.597   1.00 33.29 ? 345 LEU   A N   1 
ATOM   883  C CA  . LEU   A 1 138 ? -16.149 -0.138  2.523   1.00 30.28 ? 345 LEU   A CA  1 
ATOM   884  C C   . LEU   A 1 138 ? -16.122 1.367   2.794   1.00 26.12 ? 345 LEU   A C   1 
ATOM   885  O O   . LEU   A 1 138 ? -15.043 1.933   2.760   1.00 26.86 ? 345 LEU   A O   1 
ATOM   886  C CB  . LEU   A 1 138 ? -16.735 -0.425  1.143   1.00 29.69 ? 345 LEU   A CB  1 
ATOM   887  C CG  . LEU   A 1 138 ? -16.112 0.404   0.017   1.00 32.55 ? 345 LEU   A CG  1 
ATOM   888  C CD1 . LEU   A 1 138 ? -14.626 0.120   -0.049  1.00 34.87 ? 345 LEU   A CD1 1 
ATOM   889  C CD2 . LEU   A 1 138 ? -16.786 0.114   -1.309  1.00 33.37 ? 345 LEU   A CD2 1 
ATOM   890  N N   . ASN   A 1 139 ? -17.268 1.997   3.080   1.00 26.71 ? 346 ASN   A N   1 
ATOM   891  C CA  . ASN   A 1 139 ? -17.361 3.460   3.291   1.00 26.19 ? 346 ASN   A CA  1 
ATOM   892  C C   . ASN   A 1 139 ? -16.610 3.867   4.562   1.00 27.78 ? 346 ASN   A C   1 
ATOM   893  O O   . ASN   A 1 139 ? -16.002 4.955   4.568   1.00 23.08 ? 346 ASN   A O   1 
ATOM   894  C CB  . ASN   A 1 139 ? -18.804 3.961   3.162   1.00 27.85 ? 346 ASN   A CB  1 
ATOM   895  C CG  . ASN   A 1 139 ? -19.222 4.047   1.706   1.00 31.91 ? 346 ASN   A CG  1 
ATOM   896  O OD1 . ASN   A 1 139 ? -18.433 3.703   0.810   1.00 31.37 ? 346 ASN   A OD1 1 
ATOM   897  N ND2 . ASN   A 1 139 ? -20.463 4.442   1.461   1.00 26.66 ? 346 ASN   A ND2 1 
ATOM   898  N N   . ASN   A 1 140 ? -16.543 3.013   5.582   1.00 29.29 ? 347 ASN   A N   1 
ATOM   899  C CA  . ASN   A 1 140 ? -15.725 3.337   6.787   1.00 27.63 ? 347 ASN   A CA  1 
ATOM   900  C C   . ASN   A 1 140 ? -14.240 3.340   6.413   1.00 26.91 ? 347 ASN   A C   1 
ATOM   901  O O   . ASN   A 1 140 ? -13.516 4.179   6.926   1.00 27.51 ? 347 ASN   A O   1 
ATOM   902  C CB  . ASN   A 1 140 ? -16.019 2.373   7.947   1.00 36.30 ? 347 ASN   A CB  1 
ATOM   903  C CG  . ASN   A 1 140 ? -17.195 2.821   8.796   1.00 41.57 ? 347 ASN   A CG  1 
ATOM   904  O OD1 . ASN   A 1 140 ? -17.442 4.011   8.917   1.00 43.37 ? 347 ASN   A OD1 1 
ATOM   905  N ND2 . ASN   A 1 140 ? -17.922 1.890   9.396   1.00 45.34 ? 347 ASN   A ND2 1 
ATOM   906  N N   . ALA   A 1 141 ? -13.776 2.415   5.575   1.00 27.18 ? 348 ALA   A N   1 
ATOM   907  C CA  . ALA   A 1 141 ? -12.356 2.396   5.150   1.00 28.38 ? 348 ALA   A CA  1 
ATOM   908  C C   . ALA   A 1 141 ? -12.067 3.656   4.324   1.00 24.82 ? 348 ALA   A C   1 
ATOM   909  O O   . ALA   A 1 141 ? -11.023 4.301   4.513   1.00 25.53 ? 348 ALA   A O   1 
ATOM   910  C CB  . ALA   A 1 141 ? -12.086 1.131   4.375   1.00 31.20 ? 348 ALA   A CB  1 
ATOM   911  N N   . ILE   A 1 142 ? -13.002 4.060   3.460   1.00 25.86 ? 349 ILE   A N   1 
ATOM   912  C CA  . ILE   A 1 142 ? -12.790 5.264   2.610   1.00 25.11 ? 349 ILE   A CA  1 
ATOM   913  C C   . ILE   A 1 142 ? -12.716 6.468   3.552   1.00 23.87 ? 349 ILE   A C   1 
ATOM   914  O O   . ILE   A 1 142 ? -11.839 7.319   3.396   1.00 21.87 ? 349 ILE   A O   1 
ATOM   915  C CB  . ILE   A 1 142 ? -13.862 5.406   1.516   1.00 23.42 ? 349 ILE   A CB  1 
ATOM   916  C CG1 . ILE   A 1 142 ? -13.827 4.232   0.538   1.00 23.20 ? 349 ILE   A CG1 1 
ATOM   917  C CG2 . ILE   A 1 142 ? -13.677 6.759   0.826   1.00 24.40 ? 349 ILE   A CG2 1 
ATOM   918  C CD1 . ILE   A 1 142 ? -14.961 4.203   -0.453  1.00 26.55 ? 349 ILE   A CD1 1 
ATOM   919  N N   . LEU   A 1 143 ? -13.539 6.485   4.602   1.00 24.09 ? 350 LEU   A N   1 
ATOM   920  C CA  . LEU   A 1 143 ? -13.524 7.608   5.574   1.00 23.20 ? 350 LEU   A CA  1 
ATOM   921  C C   . LEU   A 1 143 ? -12.198 7.663   6.343   1.00 23.14 ? 350 LEU   A C   1 
ATOM   922  O O   . LEU   A 1 143 ? -11.760 8.760   6.708   1.00 24.06 ? 350 LEU   A O   1 
ATOM   923  C CB  . LEU   A 1 143 ? -14.717 7.470   6.539   1.00 27.06 ? 350 LEU   A CB  1 
ATOM   924  C CG  . LEU   A 1 143 ? -16.018 8.111   6.073   1.00 31.53 ? 350 LEU   A CG  1 
ATOM   925  C CD1 . LEU   A 1 143 ? -17.183 7.709   6.996   1.00 35.59 ? 350 LEU   A CD1 1 
ATOM   926  C CD2 . LEU   A 1 143 ? -15.877 9.638   6.007   1.00 30.62 ? 350 LEU   A CD2 1 
ATOM   927  N N   . GLN   A 1 144 ? -11.580 6.522   6.643   1.00 25.02 ? 351 GLN   A N   1 
ATOM   928  C CA  . GLN   A 1 144 ? -10.253 6.534   7.282   1.00 25.58 ? 351 GLN   A CA  1 
ATOM   929  C C   . GLN   A 1 144 ? -9.252  7.284   6.374   1.00 25.11 ? 351 GLN   A C   1 
ATOM   930  O O   . GLN   A 1 144 ? -8.411  8.040   6.907   1.00 23.33 ? 351 GLN   A O   1 
ATOM   931  C CB  . GLN   A 1 144 ? -9.788  5.114   7.599   1.00 27.93 ? 351 GLN   A CB  1 
ATOM   932  C CG  . GLN   A 1 144 ? -8.599  5.074   8.550   1.00 30.05 ? 351 GLN   A CG  1 
ATOM   933  C CD  . GLN   A 1 144 ? -8.150  3.645   8.801   1.00 31.40 ? 351 GLN   A CD  1 
ATOM   934  O OE1 . GLN   A 1 144 ? -8.877  2.700   8.488   1.00 35.64 ? 351 GLN   A OE1 1 
ATOM   935  N NE2 . GLN   A 1 144 ? -6.927  3.485   9.305   1.00 28.86 ? 351 GLN   A NE2 1 
ATOM   936  N N   . LEU   A 1 145 ? -9.325  7.103   5.052   1.00 24.87 ? 352 LEU   A N   1 
ATOM   937  C CA  . LEU   A 1 145 ? -8.416  7.799   4.111   1.00 22.97 ? 352 LEU   A CA  1 
ATOM   938  C C   . LEU   A 1 145 ? -8.696  9.289   4.182   1.00 21.16 ? 352 LEU   A C   1 
ATOM   939  O O   . LEU   A 1 145 ? -7.762  10.086  4.204   1.00 21.38 ? 352 LEU   A O   1 
ATOM   940  C CB  . LEU   A 1 145 ? -8.658  7.315   2.672   1.00 25.21 ? 352 LEU   A CB  1 
ATOM   941  C CG  . LEU   A 1 145 ? -7.971  6.035   2.242   1.00 27.42 ? 352 LEU   A CG  1 
ATOM   942  C CD1 . LEU   A 1 145 ? -8.595  5.508   0.960   1.00 27.11 ? 352 LEU   A CD1 1 
ATOM   943  C CD2 . LEU   A 1 145 ? -6.478  6.304   2.059   1.00 30.75 ? 352 LEU   A CD2 1 
ATOM   944  N N   . VAL   A 1 146 ? -9.975  9.653   4.202   1.00 21.45 ? 353 VAL   A N   1 
ATOM   945  C CA  . VAL   A 1 146 ? -10.424 11.072  4.281   1.00 24.20 ? 353 VAL   A CA  1 
ATOM   946  C C   . VAL   A 1 146 ? -9.822  11.694  5.520   1.00 22.33 ? 353 VAL   A C   1 
ATOM   947  O O   . VAL   A 1 146 ? -9.217  12.765  5.406   1.00 27.01 ? 353 VAL   A O   1 
ATOM   948  C CB  . VAL   A 1 146 ? -11.950 11.177  4.283   1.00 24.16 ? 353 VAL   A CB  1 
ATOM   949  C CG1 . VAL   A 1 146 ? -12.411 12.594  4.611   1.00 27.40 ? 353 VAL   A CG1 1 
ATOM   950  C CG2 . VAL   A 1 146 ? -12.538 10.674  2.983   1.00 23.50 ? 353 VAL   A CG2 1 
ATOM   951  N N   . LYS   A 1 147 ? -9.933  11.015  6.671   1.00 26.04 ? 354 LYS   A N   1 
ATOM   952  C CA  . LYS   A 1 147 ? -9.490  11.623  7.958   1.00 24.82 ? 354 LYS   A CA  1 
ATOM   953  C C   . LYS   A 1 147 ? -7.964  11.784  7.981   1.00 23.42 ? 354 LYS   A C   1 
ATOM   954  O O   . LYS   A 1 147 ? -7.460  12.832  8.448   1.00 25.49 ? 354 LYS   A O   1 
ATOM   955  C CB  . LYS   A 1 147 ? -10.071 10.821  9.118   1.00 31.67 ? 354 LYS   A CB  1 
ATOM   956  C CG  . LYS   A 1 147 ? -11.585 10.999  9.165   1.00 40.57 ? 354 LYS   A CG  1 
ATOM   957  C CD  . LYS   A 1 147 ? -12.305 10.365  10.330  1.00 45.06 ? 354 LYS   A CD  1 
ATOM   958  C CE  . LYS   A 1 147 ? -13.801 10.363  10.074  1.00 49.78 ? 354 LYS   A CE  1 
ATOM   959  N NZ  . LYS   A 1 147 ? -14.578 10.619  11.306  1.00 53.74 ? 354 LYS   A NZ  1 
ATOM   960  N N   . LYS   A 1 148 ? -7.238  10.873  7.373   1.00 23.17 ? 355 LYS   A N   1 
ATOM   961  C CA  . LYS   A 1 148 ? -5.774  11.032  7.275   1.00 25.50 ? 355 LYS   A CA  1 
ATOM   962  C C   . LYS   A 1 148 ? -5.408  12.256  6.431   1.00 24.62 ? 355 LYS   A C   1 
ATOM   963  O O   . LYS   A 1 148 ? -4.540  13.022  6.838   1.00 24.34 ? 355 LYS   A O   1 
ATOM   964  C CB  . LYS   A 1 148 ? -5.165  9.757   6.713   1.00 28.08 ? 355 LYS   A CB  1 
ATOM   965  C CG  . LYS   A 1 148 ? -3.654  9.726   6.911   1.00 34.99 ? 355 LYS   A CG  1 
ATOM   966  C CD  . LYS   A 1 148 ? -2.993  8.595   6.194   1.00 41.03 ? 355 LYS   A CD  1 
ATOM   967  C CE  . LYS   A 1 148 ? -3.014  7.273   6.935   1.00 41.46 ? 355 LYS   A CE  1 
ATOM   968  N NZ  . LYS   A 1 148 ? -2.425  6.219   6.077   1.00 36.06 ? 355 LYS   A NZ  1 
ATOM   969  N N   . TYR   A 1 149 ? -5.982  12.388  5.230   1.00 23.97 ? 356 TYR   A N   1 
ATOM   970  C CA  . TYR   A 1 149 ? -5.654  13.511  4.314   1.00 22.77 ? 356 TYR   A CA  1 
ATOM   971  C C   . TYR   A 1 149 ? -6.144  14.818  4.939   1.00 24.19 ? 356 TYR   A C   1 
ATOM   972  O O   . TYR   A 1 149 ? -5.550  15.838  4.716   1.00 26.55 ? 356 TYR   A O   1 
ATOM   973  C CB  . TYR   A 1 149 ? -6.262  13.230  2.943   1.00 21.90 ? 356 TYR   A CB  1 
ATOM   974  C CG  . TYR   A 1 149 ? -5.545  12.178  2.112   1.00 21.28 ? 356 TYR   A CG  1 
ATOM   975  C CD1 . TYR   A 1 149 ? -4.177  12.207  1.934   1.00 23.42 ? 356 TYR   A CD1 1 
ATOM   976  C CD2 . TYR   A 1 149 ? -6.238  11.171  1.482   1.00 21.80 ? 356 TYR   A CD2 1 
ATOM   977  C CE1 . TYR   A 1 149 ? -3.517  11.261  1.159   1.00 20.71 ? 356 TYR   A CE1 1 
ATOM   978  C CE2 . TYR   A 1 149 ? -5.599  10.227  0.684   1.00 22.63 ? 356 TYR   A CE2 1 
ATOM   979  C CZ  . TYR   A 1 149 ? -4.228  10.277  0.522   1.00 20.55 ? 356 TYR   A CZ  1 
ATOM   980  O OH  . TYR   A 1 149 ? -3.613  9.354   -0.256  1.00 22.49 ? 356 TYR   A OH  1 
ATOM   981  N N   . LYS   A 1 150 ? -7.263  14.801  5.665   1.00 23.83 ? 357 LYS   A N   1 
ATOM   982  C CA  . LYS   A 1 150 ? -7.729  16.028  6.379   1.00 29.81 ? 357 LYS   A CA  1 
ATOM   983  C C   . LYS   A 1 150 ? -6.673  16.464  7.402   1.00 28.60 ? 357 LYS   A C   1 
ATOM   984  O O   . LYS   A 1 150 ? -6.279  17.655  7.397   1.00 33.05 ? 357 LYS   A O   1 
ATOM   985  C CB  . LYS   A 1 150 ? -9.046  15.793  7.105   1.00 30.58 ? 357 LYS   A CB  1 
ATOM   986  C CG  . LYS   A 1 150 ? -10.260 15.723  6.210   1.00 39.24 ? 357 LYS   A CG  1 
ATOM   987  C CD  . LYS   A 1 150 ? -11.553 15.437  6.965   1.00 44.19 ? 357 LYS   A CD  1 
ATOM   988  C CE  . LYS   A 1 150 ? -12.101 16.654  7.672   1.00 49.17 ? 357 LYS   A CE  1 
ATOM   989  N NZ  . LYS   A 1 150 ? -13.576 16.572  7.771   1.00 54.71 ? 357 LYS   A NZ  1 
ATOM   990  N N   . SER   A 1 151 ? -6.136  15.533  8.177   1.00 28.32 ? 358 SER   A N   1 
ATOM   991  C CA  . SER   A 1 151 ? -5.102  15.848  9.193   1.00 31.82 ? 358 SER   A CA  1 
ATOM   992  C C   . SER   A 1 151 ? -3.811  16.337  8.530   1.00 30.49 ? 358 SER   A C   1 
ATOM   993  O O   . SER   A 1 151 ? -3.112  17.181  9.108   1.00 29.35 ? 358 SER   A O   1 
ATOM   994  C CB  . SER   A 1 151 ? -4.875  14.682  10.129  1.00 35.37 ? 358 SER   A CB  1 
ATOM   995  O OG  . SER   A 1 151 ? -4.113  13.664  9.504   1.00 41.37 ? 358 SER   A OG  1 
ATOM   996  N N   . MET   A 1 152 ? -3.519  15.930  7.301   1.00 27.47 ? 359 MET   A N   1 
ATOM   997  C CA  . MET   A 1 152 ? -2.311  16.418  6.576   1.00 27.30 ? 359 MET   A CA  1 
ATOM   998  C C   . MET   A 1 152 ? -2.609  17.700  5.773   1.00 26.58 ? 359 MET   A C   1 
ATOM   999  O O   . MET   A 1 152 ? -1.679  18.264  5.130   1.00 27.61 ? 359 MET   A O   1 
ATOM   1000 C CB  . MET   A 1 152 ? -1.853  15.308  5.631   1.00 29.14 ? 359 MET   A CB  1 
ATOM   1001 C CG  . MET   A 1 152 ? -1.597  13.992  6.345   1.00 36.24 ? 359 MET   A CG  1 
ATOM   1002 S SD  . MET   A 1 152 ? -1.308  12.658  5.136   1.00 39.81 ? 359 MET   A SD  1 
ATOM   1003 C CE  . MET   A 1 152 ? 0.295   13.202  4.570   1.00 35.26 ? 359 MET   A CE  1 
ATOM   1004 N N   . LYS   A 1 153 ? -3.872  18.110  5.738   1.00 26.74 ? 360 LYS   A N   1 
ATOM   1005 C CA  . LYS   A 1 153 ? -4.364  19.251  4.933   1.00 29.17 ? 360 LYS   A CA  1 
ATOM   1006 C C   . LYS   A 1 153 ? -3.937  19.055  3.466   1.00 25.83 ? 360 LYS   A C   1 
ATOM   1007 O O   . LYS   A 1 153 ? -3.248  19.911  2.910   1.00 25.60 ? 360 LYS   A O   1 
ATOM   1008 C CB  . LYS   A 1 153 ? -3.887  20.550  5.588   1.00 38.20 ? 360 LYS   A CB  1 
ATOM   1009 C CG  . LYS   A 1 153 ? -4.372  20.732  7.021   1.00 38.67 ? 360 LYS   A CG  1 
ATOM   1010 C CD  . LYS   A 1 153 ? -5.050  22.057  7.278   1.00 53.45 ? 360 LYS   A CD  1 
ATOM   1011 C CE  . LYS   A 1 153 ? -4.218  23.242  6.838   1.00 57.61 ? 360 LYS   A CE  1 
ATOM   1012 N NZ  . LYS   A 1 153 ? -2.821  23.107  7.325   1.00 63.05 ? 360 LYS   A NZ  1 
ATOM   1013 N N   . LEU   A 1 154 ? -4.294  17.904  2.900   1.00 25.41 ? 361 LEU   A N   1 
ATOM   1014 C CA  . LEU   A 1 154 ? -4.004  17.561  1.481   1.00 23.90 ? 361 LEU   A CA  1 
ATOM   1015 C C   . LEU   A 1 154 ? -4.441  18.705  0.566   1.00 23.70 ? 361 LEU   A C   1 
ATOM   1016 O O   . LEU   A 1 154 ? -5.593  19.089  0.651   1.00 23.81 ? 361 LEU   A O   1 
ATOM   1017 C CB  . LEU   A 1 154 ? -4.767  16.312  1.091   1.00 23.21 ? 361 LEU   A CB  1 
ATOM   1018 C CG  . LEU   A 1 154 ? -4.489  15.758  -0.306  1.00 23.59 ? 361 LEU   A CG  1 
ATOM   1019 C CD1 . LEU   A 1 154 ? -3.093  15.186  -0.368  1.00 23.78 ? 361 LEU   A CD1 1 
ATOM   1020 C CD2 . LEU   A 1 154 ? -5.504  14.678  -0.629  1.00 24.68 ? 361 LEU   A CD2 1 
ATOM   1021 N N   . GLU   A 1 155 ? -3.576  19.144  -0.334  1.00 23.58 ? 362 GLU   A N   1 
ATOM   1022 C CA  . GLU   A 1 155 ? -3.880  20.213  -1.330  1.00 26.41 ? 362 GLU   A CA  1 
ATOM   1023 C C   . GLU   A 1 155 ? -4.239  19.594  -2.679  1.00 24.24 ? 362 GLU   A C   1 
ATOM   1024 O O   . GLU   A 1 155 ? -3.842  18.450  -2.925  1.00 22.55 ? 362 GLU   A O   1 
ATOM   1025 C CB  . GLU   A 1 155 ? -2.657  21.094  -1.452  1.00 29.95 ? 362 GLU   A CB  1 
ATOM   1026 C CG  . GLU   A 1 155 ? -2.304  21.715  -0.138  1.00 34.06 ? 362 GLU   A CG  1 
ATOM   1027 C CD  . GLU   A 1 155 ? -0.859  22.182  -0.001  1.00 39.32 ? 362 GLU   A CD  1 
ATOM   1028 O OE1 . GLU   A 1 155 ? -0.072  21.961  -0.937  1.00 39.79 ? 362 GLU   A OE1 1 
ATOM   1029 O OE2 . GLU   A 1 155 ? -0.539  22.749  1.065   1.00 44.43 ? 362 GLU   A OE2 1 
ATOM   1030 N N   . LYS   A 1 156 ? -4.955  20.322  -3.543  1.00 22.93 ? 363 LYS   A N   1 
ATOM   1031 C CA  . LYS   A 1 156 ? -5.363  19.778  -4.849  1.00 22.97 ? 363 LYS   A CA  1 
ATOM   1032 C C   . LYS   A 1 156 ? -4.096  19.359  -5.626  1.00 20.86 ? 363 LYS   A C   1 
ATOM   1033 O O   . LYS   A 1 156 ? -4.174  18.371  -6.386  1.00 23.16 ? 363 LYS   A O   1 
ATOM   1034 C CB  . LYS   A 1 156 ? -6.189  20.805  -5.623  1.00 28.30 ? 363 LYS   A CB  1 
ATOM   1035 C CG  . LYS   A 1 156 ? -6.833  20.211  -6.861  1.00 35.38 ? 363 LYS   A CG  1 
ATOM   1036 C CD  . LYS   A 1 156 ? -7.842  21.118  -7.575  1.00 43.96 ? 363 LYS   A CD  1 
ATOM   1037 C CE  . LYS   A 1 156 ? -8.551  20.379  -8.691  1.00 48.20 ? 363 LYS   A CE  1 
ATOM   1038 N NZ  . LYS   A 1 156 ? -9.738  21.126  -9.177  1.00 54.34 ? 363 LYS   A NZ  1 
ATOM   1039 N N   . GLU   A 1 157 ? -3.027  20.121  -5.498  1.00 20.09 ? 364 GLU   A N   1 
ATOM   1040 C CA  . GLU   A 1 157 ? -1.719  19.877  -6.179  1.00 23.92 ? 364 GLU   A CA  1 
ATOM   1041 C C   . GLU   A 1 157 ? -1.213  18.462  -5.831  1.00 24.31 ? 364 GLU   A C   1 
ATOM   1042 O O   . GLU   A 1 157 ? -0.846  17.715  -6.743  1.00 24.48 ? 364 GLU   A O   1 
ATOM   1043 C CB  . GLU   A 1 157 ? -0.672  20.896  -5.742  1.00 25.94 ? 364 GLU   A CB  1 
ATOM   1044 C CG  . GLU   A 1 157 ? -0.874  22.283  -6.353  1.00 28.46 ? 364 GLU   A CG  1 
ATOM   1045 C CD  . GLU   A 1 157 ? -1.954  23.164  -5.743  1.00 34.22 ? 364 GLU   A CD  1 
ATOM   1046 O OE1 . GLU   A 1 157 ? -2.663  22.727  -4.799  1.00 29.02 ? 364 GLU   A OE1 1 
ATOM   1047 O OE2 . GLU   A 1 157 ? -2.102  24.305  -6.229  1.00 37.72 ? 364 GLU   A OE2 1 
ATOM   1048 N N   . GLU   A 1 158 ? -1.332  18.102  -4.553  1.00 24.23 ? 365 GLU   A N   1 
ATOM   1049 C CA  . GLU   A 1 158 ? -0.843  16.817  -3.991  1.00 23.05 ? 365 GLU   A CA  1 
ATOM   1050 C C   . GLU   A 1 158 ? -1.798  15.743  -4.455  1.00 22.12 ? 365 GLU   A C   1 
ATOM   1051 O O   . GLU   A 1 158 ? -1.310  14.681  -4.846  1.00 22.85 ? 365 GLU   A O   1 
ATOM   1052 C CB  . GLU   A 1 158 ? -0.725  16.909  -2.473  1.00 24.49 ? 365 GLU   A CB  1 
ATOM   1053 C CG  . GLU   A 1 158 ? 0.301   17.938  -2.057  1.00 26.36 ? 365 GLU   A CG  1 
ATOM   1054 C CD  . GLU   A 1 158 ? 0.286   18.355  -0.603  1.00 29.19 ? 365 GLU   A CD  1 
ATOM   1055 O OE1 . GLU   A 1 158 ? -0.818  18.428  -0.027  1.00 28.49 ? 365 GLU   A OE1 1 
ATOM   1056 O OE2 . GLU   A 1 158 ? 1.408   18.528  -0.030  1.00 30.13 ? 365 GLU   A OE2 1 
ATOM   1057 N N   . PHE   A 1 159 ? -3.106  16.007  -4.387  1.00 20.37 ? 366 PHE   A N   1 
ATOM   1058 C CA  . PHE   A 1 159 ? -4.131  15.055  -4.821  1.00 20.00 ? 366 PHE   A CA  1 
ATOM   1059 C C   . PHE   A 1 159 ? -3.835  14.630  -6.266  1.00 18.95 ? 366 PHE   A C   1 
ATOM   1060 O O   . PHE   A 1 159 ? -3.852  13.416  -6.525  1.00 18.11 ? 366 PHE   A O   1 
ATOM   1061 C CB  . PHE   A 1 159 ? -5.530  15.669  -4.668  1.00 21.51 ? 366 PHE   A CB  1 
ATOM   1062 C CG  . PHE   A 1 159 ? -6.566  15.014  -5.523  1.00 23.27 ? 366 PHE   A CG  1 
ATOM   1063 C CD1 . PHE   A 1 159 ? -6.975  13.711  -5.272  1.00 26.51 ? 366 PHE   A CD1 1 
ATOM   1064 C CD2 . PHE   A 1 159 ? -7.226  15.718  -6.517  1.00 24.37 ? 366 PHE   A CD2 1 
ATOM   1065 C CE1 . PHE   A 1 159 ? -7.952  13.122  -6.051  1.00 23.09 ? 366 PHE   A CE1 1 
ATOM   1066 C CE2 . PHE   A 1 159 ? -8.239  15.133  -7.261  1.00 26.52 ? 366 PHE   A CE2 1 
ATOM   1067 C CZ  . PHE   A 1 159 ? -8.583  13.813  -7.041  1.00 23.69 ? 366 PHE   A CZ  1 
ATOM   1068 N N   . VAL   A 1 160 ? -3.650  15.578  -7.198  1.00 19.43 ? 367 VAL   A N   1 
ATOM   1069 C CA  . VAL   A 1 160 ? -3.532  15.159  -8.639  1.00 20.01 ? 367 VAL   A CA  1 
ATOM   1070 C C   . VAL   A 1 160 ? -2.216  14.411  -8.823  1.00 16.47 ? 367 VAL   A C   1 
ATOM   1071 O O   . VAL   A 1 160 ? -2.155  13.474  -9.632  1.00 17.37 ? 367 VAL   A O   1 
ATOM   1072 C CB  . VAL   A 1 160 ? -3.658  16.312  -9.642  1.00 19.60 ? 367 VAL   A CB  1 
ATOM   1073 C CG1 . VAL   A 1 160 ? -5.074  16.856  -9.593  1.00 23.52 ? 367 VAL   A CG1 1 
ATOM   1074 C CG2 . VAL   A 1 160 ? -2.636  17.420  -9.443  1.00 21.72 ? 367 VAL   A CG2 1 
ATOM   1075 N N   . THR   A 1 161 ? -1.204  14.801  -8.102  1.00 17.84 ? 368 THR   A N   1 
ATOM   1076 C CA  . THR   A 1 161 ? 0.119   14.148  -8.232  1.00 19.17 ? 368 THR   A CA  1 
ATOM   1077 C C   . THR   A 1 161 ? 0.037   12.709  -7.702  1.00 19.50 ? 368 THR   A C   1 
ATOM   1078 O O   . THR   A 1 161 ? 0.581   11.781  -8.366  1.00 16.06 ? 368 THR   A O   1 
ATOM   1079 C CB  . THR   A 1 161 ? 1.228   15.005  -7.631  1.00 21.29 ? 368 THR   A CB  1 
ATOM   1080 O OG1 . THR   A 1 161 ? 1.137   16.318  -8.192  1.00 22.30 ? 368 THR   A OG1 1 
ATOM   1081 C CG2 . THR   A 1 161 ? 2.587   14.420  -7.945  1.00 22.60 ? 368 THR   A CG2 1 
ATOM   1082 N N   . LEU   A 1 162 ? -0.645  12.511  -6.577  1.00 20.81 ? 369 LEU   A N   1 
ATOM   1083 C CA  . LEU   A 1 162 ? -0.794  11.164  -5.973  1.00 21.10 ? 369 LEU   A CA  1 
ATOM   1084 C C   . LEU   A 1 162 ? -1.640  10.304  -6.865  1.00 19.10 ? 369 LEU   A C   1 
ATOM   1085 O O   . LEU   A 1 162 ? -1.316  9.154   -6.969  1.00 19.85 ? 369 LEU   A O   1 
ATOM   1086 C CB  . LEU   A 1 162 ? -1.429  11.229  -4.584  1.00 23.81 ? 369 LEU   A CB  1 
ATOM   1087 C CG  . LEU   A 1 162 ? -0.469  11.597  -3.468  1.00 26.47 ? 369 LEU   A CG  1 
ATOM   1088 C CD1 . LEU   A 1 162 ? -1.259  11.857  -2.205  1.00 27.31 ? 369 LEU   A CD1 1 
ATOM   1089 C CD2 . LEU   A 1 162 ? 0.592   10.515  -3.247  1.00 25.15 ? 369 LEU   A CD2 1 
ATOM   1090 N N   . LYS   A 1 163 ? -2.674  10.857  -7.522  1.00 21.15 ? 370 LYS   A N   1 
ATOM   1091 C CA  . LYS   A 1 163 ? -3.498  10.103  -8.471  1.00 20.23 ? 370 LYS   A CA  1 
ATOM   1092 C C   . LYS   A 1 163 ? -2.635  9.519   -9.586  1.00 17.50 ? 370 LYS   A C   1 
ATOM   1093 O O   . LYS   A 1 163 ? -2.794  8.349   -9.916  1.00 18.07 ? 370 LYS   A O   1 
ATOM   1094 C CB  . LYS   A 1 163 ? -4.598  10.971  -9.090  1.00 23.20 ? 370 LYS   A CB  1 
ATOM   1095 C CG  . LYS   A 1 163 ? -5.997  10.603  -8.695  1.00 28.71 ? 370 LYS   A CG  1 
ATOM   1096 C CD  . LYS   A 1 163 ? -7.068  11.279  -9.453  1.00 32.64 ? 370 LYS   A CD  1 
ATOM   1097 C CE  . LYS   A 1 163 ? -6.756  12.699  -9.838  1.00 35.34 ? 370 LYS   A CE  1 
ATOM   1098 N NZ  . LYS   A 1 163 ? -7.227  12.955  -11.215 1.00 43.79 ? 370 LYS   A NZ  1 
ATOM   1099 N N   . ALA   A 1 164 ? -1.774  10.336  -10.145 1.00 16.38 ? 371 ALA   A N   1 
ATOM   1100 C CA  . ALA   A 1 164 ? -0.888  9.925   -11.253 1.00 17.17 ? 371 ALA   A CA  1 
ATOM   1101 C C   . ALA   A 1 164 ? 0.113   8.872   -10.772 1.00 15.59 ? 371 ALA   A C   1 
ATOM   1102 O O   . ALA   A 1 164 ? 0.355   7.876   -11.464 1.00 16.43 ? 371 ALA   A O   1 
ATOM   1103 C CB  . ALA   A 1 164 ? -0.227  11.187  -11.748 1.00 16.21 ? 371 ALA   A CB  1 
ATOM   1104 N N   . ILE   A 1 165 ? 0.660   9.083   -9.574  1.00 16.26 ? 372 ILE   A N   1 
ATOM   1105 C CA  . ILE   A 1 165 ? 1.632   8.141   -8.958  1.00 16.88 ? 372 ILE   A CA  1 
ATOM   1106 C C   . ILE   A 1 165 ? 0.945   6.813   -8.695  1.00 17.59 ? 372 ILE   A C   1 
ATOM   1107 O O   . ILE   A 1 165 ? 1.511   5.772   -9.035  1.00 18.32 ? 372 ILE   A O   1 
ATOM   1108 C CB  . ILE   A 1 165 ? 2.269   8.730   -7.689  1.00 17.23 ? 372 ILE   A CB  1 
ATOM   1109 C CG1 . ILE   A 1 165 ? 3.255   9.840   -8.026  1.00 18.75 ? 372 ILE   A CG1 1 
ATOM   1110 C CG2 . ILE   A 1 165 ? 2.921   7.607   -6.890  1.00 18.81 ? 372 ILE   A CG2 1 
ATOM   1111 C CD1 . ILE   A 1 165 ? 3.805   10.550  -6.806  1.00 20.48 ? 372 ILE   A CD1 1 
ATOM   1112 N N   . ALA   A 1 166 ? -0.286  6.826   -8.220  1.00 17.38 ? 373 ALA   A N   1 
ATOM   1113 C CA  . ALA   A 1 166 ? -1.029  5.573   -7.997  1.00 18.62 ? 373 ALA   A CA  1 
ATOM   1114 C C   . ALA   A 1 166 ? -1.202  4.808   -9.327  1.00 18.28 ? 373 ALA   A C   1 
ATOM   1115 O O   . ALA   A 1 166 ? -1.072  3.577   -9.328  1.00 19.65 ? 373 ALA   A O   1 
ATOM   1116 C CB  . ALA   A 1 166 ? -2.350  5.850   -7.330  1.00 18.97 ? 373 ALA   A CB  1 
ATOM   1117 N N   . LEU   A 1 167 ? -1.439  5.497   -10.425 1.00 19.39 ? 374 LEU   A N   1 
ATOM   1118 C CA  . LEU   A 1 167 ? -1.565  4.830   -11.755 1.00 19.35 ? 374 LEU   A CA  1 
ATOM   1119 C C   . LEU   A 1 167 ? -0.212  4.219   -12.139 1.00 17.16 ? 374 LEU   A C   1 
ATOM   1120 O O   . LEU   A 1 167 ? -0.164  3.054   -12.558 1.00 19.78 ? 374 LEU   A O   1 
ATOM   1121 C CB  . LEU   A 1 167 ? -2.023  5.888   -12.751 1.00 20.68 ? 374 LEU   A CB  1 
ATOM   1122 C CG  . LEU   A 1 167 ? -2.183  5.396   -14.187 1.00 24.48 ? 374 LEU   A CG  1 
ATOM   1123 C CD1 . LEU   A 1 167 ? -3.095  4.209   -14.284 1.00 22.10 ? 374 LEU   A CD1 1 
ATOM   1124 C CD2 . LEU   A 1 167 ? -2.633  6.504   -15.114 1.00 27.37 ? 374 LEU   A CD2 1 
ATOM   1125 N N   . ALA   A 1 168 ? 0.858   4.984   -11.990 1.00 16.99 ? 375 ALA   A N   1 
ATOM   1126 C CA  . ALA   A 1 168 ? 2.208   4.565   -12.444 1.00 17.28 ? 375 ALA   A CA  1 
ATOM   1127 C C   . ALA   A 1 168 ? 2.736   3.456   -11.541 1.00 21.04 ? 375 ALA   A C   1 
ATOM   1128 O O   . ALA   A 1 168 ? 3.456   2.555   -12.052 1.00 20.43 ? 375 ALA   A O   1 
ATOM   1129 C CB  . ALA   A 1 168 ? 3.151   5.730   -12.503 1.00 18.48 ? 375 ALA   A CB  1 
ATOM   1130 N N   . ASN   A 1 169 ? 2.362   3.477   -10.258 1.00 19.22 ? 376 ASN   A N   1 
ATOM   1131 C CA  . ASN   A 1 169 ? 2.881   2.526   -9.245  1.00 20.77 ? 376 ASN   A CA  1 
ATOM   1132 C C   . ASN   A 1 169 ? 1.879   1.387   -9.014  1.00 22.83 ? 376 ASN   A C   1 
ATOM   1133 O O   . ASN   A 1 169 ? 1.773   0.909   -7.896  1.00 24.78 ? 376 ASN   A O   1 
ATOM   1134 C CB  . ASN   A 1 169 ? 3.156   3.270   -7.937  1.00 21.45 ? 376 ASN   A CB  1 
ATOM   1135 C CG  . ASN   A 1 169 ? 3.984   2.471   -6.973  1.00 23.51 ? 376 ASN   A CG  1 
ATOM   1136 O OD1 . ASN   A 1 169 ? 4.981   1.845   -7.386  1.00 24.58 ? 376 ASN   A OD1 1 
ATOM   1137 N ND2 . ASN   A 1 169 ? 3.540   2.438   -5.708  1.00 22.97 ? 376 ASN   A ND2 1 
ATOM   1138 N N   . SER   A 1 170 ? 1.150   0.918   -10.019 1.00 23.60 ? 377 SER   A N   1 
ATOM   1139 C CA  . SER   A 1 170 ? -0.038  0.073   -9.737  1.00 23.23 ? 377 SER   A CA  1 
ATOM   1140 C C   . SER   A 1 170 ? 0.276   -1.430  -9.646  1.00 24.54 ? 377 SER   A C   1 
ATOM   1141 O O   . SER   A 1 170 ? -0.691  -2.173  -9.392  1.00 25.02 ? 377 SER   A O   1 
ATOM   1142 C CB  . SER   A 1 170 ? -1.165  0.355   -10.712 1.00 28.91 ? 377 SER   A CB  1 
ATOM   1143 O OG  . SER   A 1 170 ? -0.694  0.248   -12.033 1.00 29.20 ? 377 SER   A OG  1 
ATOM   1144 N N   . ASP   A 1 171 ? 1.532   -1.865  -9.847  1.00 25.42 ? 378 ASP   A N   1 
ATOM   1145 C CA  . ASP   A 1 171 ? 2.028   -3.235  -9.563  1.00 24.73 ? 378 ASP   A CA  1 
ATOM   1146 C C   . ASP   A 1 171 ? 1.370   -4.275  -10.465 1.00 24.24 ? 378 ASP   A C   1 
ATOM   1147 O O   . ASP   A 1 171 ? 1.213   -5.402  -10.033 1.00 24.91 ? 378 ASP   A O   1 
ATOM   1148 C CB  . ASP   A 1 171 ? 1.808   -3.596  -8.087  1.00 24.24 ? 378 ASP   A CB  1 
ATOM   1149 C CG  . ASP   A 1 171 ? 2.776   -2.810  -7.230  1.00 24.14 ? 378 ASP   A CG  1 
ATOM   1150 O OD1 . ASP   A 1 171 ? 3.983   -2.698  -7.659  1.00 27.46 ? 378 ASP   A OD1 1 
ATOM   1151 O OD2 . ASP   A 1 171 ? 2.329   -2.219  -6.235  1.00 25.35 ? 378 ASP   A OD2 1 
ATOM   1152 N N   . SER   A 1 172 ? 0.970   -3.900  -11.666 1.00 26.02 ? 379 SER   A N   1 
ATOM   1153 C CA  . SER   A 1 172 ? 0.528   -4.885  -12.683 1.00 28.21 ? 379 SER   A CA  1 
ATOM   1154 C C   . SER   A 1 172 ? 1.582   -5.991  -12.864 1.00 30.03 ? 379 SER   A C   1 
ATOM   1155 O O   . SER   A 1 172 ? 2.741   -5.670  -12.973 1.00 30.35 ? 379 SER   A O   1 
ATOM   1156 C CB  . SER   A 1 172 ? 0.274   -4.236  -14.013 1.00 30.59 ? 379 SER   A CB  1 
ATOM   1157 O OG  . SER   A 1 172 ? -0.139  -5.275  -14.894 1.00 37.25 ? 379 SER   A OG  1 
ATOM   1158 N N   . MET   A 1 173 ? 1.166   -7.239  -12.968 1.00 36.44 ? 380 MET   A N   1 
ATOM   1159 C CA  . MET   A 1 173 ? 2.060   -8.379  -13.294 1.00 45.64 ? 380 MET   A CA  1 
ATOM   1160 C C   . MET   A 1 173 ? 2.286   -8.467  -14.809 1.00 45.46 ? 380 MET   A C   1 
ATOM   1161 O O   . MET   A 1 173 ? 2.987   -9.386  -15.222 1.00 51.21 ? 380 MET   A O   1 
ATOM   1162 C CB  . MET   A 1 173 ? 1.439   -9.693  -12.809 1.00 55.35 ? 380 MET   A CB  1 
ATOM   1163 C CG  . MET   A 1 173 ? 1.802   -10.033 -11.377 1.00 63.79 ? 380 MET   A CG  1 
ATOM   1164 S SD  . MET   A 1 173 ? 0.610   -11.178 -10.620 1.00 81.90 ? 380 MET   A SD  1 
ATOM   1165 C CE  . MET   A 1 173 ? 1.407   -11.569 -9.056  1.00 76.12 ? 380 MET   A CE  1 
ATOM   1166 N N   . HIS   A 1 174 ? 1.737   -7.552  -15.616 1.00 41.18 ? 381 HIS   A N   1 
ATOM   1167 C CA  . HIS   A 1 174 ? 1.608   -7.734  -17.080 1.00 42.85 ? 381 HIS   A CA  1 
ATOM   1168 C C   . HIS   A 1 174 ? 2.369   -6.681  -17.889 1.00 43.53 ? 381 HIS   A C   1 
ATOM   1169 O O   . HIS   A 1 174 ? 2.148   -6.646  -19.086 1.00 44.22 ? 381 HIS   A O   1 
ATOM   1170 C CB  . HIS   A 1 174 ? 0.119   -7.791  -17.432 1.00 44.44 ? 381 HIS   A CB  1 
ATOM   1171 C CG  . HIS   A 1 174 ? -0.487  -9.074  -16.976 1.00 49.68 ? 381 HIS   A CG  1 
ATOM   1172 N ND1 . HIS   A 1 174 ? -0.030  -10.296 -17.423 1.00 54.21 ? 381 HIS   A ND1 1 
ATOM   1173 C CD2 . HIS   A 1 174 ? -1.454  -9.336  -16.074 1.00 52.50 ? 381 HIS   A CD2 1 
ATOM   1174 C CE1 . HIS   A 1 174 ? -0.713  -11.258 -16.834 1.00 53.19 ? 381 HIS   A CE1 1 
ATOM   1175 N NE2 . HIS   A 1 174 ? -1.584  -10.696 -15.998 1.00 52.38 ? 381 HIS   A NE2 1 
ATOM   1176 N N   . ILE   A 1 175 ? 3.270   -5.898  -17.295 1.00 40.74 ? 382 ILE   A N   1 
ATOM   1177 C CA  . ILE   A 1 175 ? 3.978   -4.791  -18.014 1.00 38.11 ? 382 ILE   A CA  1 
ATOM   1178 C C   . ILE   A 1 175 ? 4.976   -5.380  -19.018 1.00 41.20 ? 382 ILE   A C   1 
ATOM   1179 O O   . ILE   A 1 175 ? 5.662   -6.323  -18.650 1.00 39.65 ? 382 ILE   A O   1 
ATOM   1180 C CB  . ILE   A 1 175 ? 4.679   -3.834  -17.019 1.00 36.58 ? 382 ILE   A CB  1 
ATOM   1181 C CG1 . ILE   A 1 175 ? 3.674   -3.144  -16.083 1.00 36.25 ? 382 ILE   A CG1 1 
ATOM   1182 C CG2 . ILE   A 1 175 ? 5.540   -2.837  -17.764 1.00 34.94 ? 382 ILE   A CG2 1 
ATOM   1183 C CD1 . ILE   A 1 175 ? 2.392   -2.742  -16.754 1.00 39.28 ? 382 ILE   A CD1 1 
ATOM   1184 N N   . GLU   A 1 176 ? 5.091   -4.760  -20.196 1.00 41.70 ? 383 GLU   A N   1 
ATOM   1185 C CA  . GLU   A 1 176 ? 6.034   -5.124  -21.291 1.00 46.70 ? 383 GLU   A CA  1 
ATOM   1186 C C   . GLU   A 1 176 ? 7.320   -4.325  -21.110 1.00 44.54 ? 383 GLU   A C   1 
ATOM   1187 O O   . GLU   A 1 176 ? 8.384   -4.923  -21.154 1.00 45.32 ? 383 GLU   A O   1 
ATOM   1188 C CB  . GLU   A 1 176 ? 5.449   -4.788  -22.665 1.00 47.50 ? 383 GLU   A CB  1 
ATOM   1189 C CG  . GLU   A 1 176 ? 4.209   -5.592  -23.015 1.00 47.79 ? 383 GLU   A CG  1 
ATOM   1190 C CD  . GLU   A 1 176 ? 3.508   -5.196  -24.304 1.00 50.60 ? 383 GLU   A CD  1 
ATOM   1191 O OE1 . GLU   A 1 176 ? 3.750   -4.076  -24.800 1.00 49.91 ? 383 GLU   A OE1 1 
ATOM   1192 O OE2 . GLU   A 1 176 ? 2.718   -6.020  -24.815 1.00 57.68 ? 383 GLU   A OE2 1 
ATOM   1193 N N   . ASP   A 1 177 ? 7.224   -3.005  -20.929 1.00 38.78 ? 384 ASP   A N   1 
ATOM   1194 C CA  . ASP   A 1 177 ? 8.419   -2.143  -20.802 1.00 36.64 ? 384 ASP   A CA  1 
ATOM   1195 C C   . ASP   A 1 177 ? 8.543   -1.683  -19.347 1.00 39.93 ? 384 ASP   A C   1 
ATOM   1196 O O   . ASP   A 1 177 ? 8.084   -0.559  -19.018 1.00 35.67 ? 384 ASP   A O   1 
ATOM   1197 C CB  . ASP   A 1 177 ? 8.362   -1.011  -21.817 1.00 39.70 ? 384 ASP   A CB  1 
ATOM   1198 C CG  . ASP   A 1 177 ? 9.686   -0.290  -21.955 1.00 39.54 ? 384 ASP   A CG  1 
ATOM   1199 O OD1 . ASP   A 1 177 ? 10.561  -0.477  -21.073 1.00 40.13 ? 384 ASP   A OD1 1 
ATOM   1200 O OD2 . ASP   A 1 177 ? 9.828   0.468   -22.934 1.00 41.33 ? 384 ASP   A OD2 1 
ATOM   1201 N N   . VAL   A 1 178 ? 9.137   -2.539  -18.517 1.00 37.88 ? 385 VAL   A N   1 
ATOM   1202 C CA  . VAL   A 1 178 ? 9.319   -2.288  -17.062 1.00 40.00 ? 385 VAL   A CA  1 
ATOM   1203 C C   . VAL   A 1 178 ? 10.099  -0.984  -16.921 1.00 39.36 ? 385 VAL   A C   1 
ATOM   1204 O O   . VAL   A 1 178 ? 9.666   -0.129  -16.120 1.00 32.05 ? 385 VAL   A O   1 
ATOM   1205 C CB  . VAL   A 1 178 ? 9.974   -3.479  -16.338 1.00 45.31 ? 385 VAL   A CB  1 
ATOM   1206 C CG1 . VAL   A 1 178 ? 10.147  -3.193  -14.850 1.00 47.90 ? 385 VAL   A CG1 1 
ATOM   1207 C CG2 . VAL   A 1 178 ? 9.164   -4.755  -16.546 1.00 48.23 ? 385 VAL   A CG2 1 
ATOM   1208 N N   . GLU   A 1 179 ? 11.133  -0.761  -17.744 1.00 34.85 ? 386 GLU   A N   1 
ATOM   1209 C CA  . GLU   A 1 179 ? 11.977  0.463   -17.620 1.00 36.44 ? 386 GLU   A CA  1 
ATOM   1210 C C   . GLU   A 1 179 ? 11.138  1.711   -17.921 1.00 30.26 ? 386 GLU   A C   1 
ATOM   1211 O O   . GLU   A 1 179 ? 11.355  2.736   -17.274 1.00 29.48 ? 386 GLU   A O   1 
ATOM   1212 C CB  . GLU   A 1 179 ? 13.213  0.432   -18.533 1.00 40.49 ? 386 GLU   A CB  1 
ATOM   1213 C CG  . GLU   A 1 179 ? 14.128  -0.735  -18.241 1.00 51.19 ? 386 GLU   A CG  1 
ATOM   1214 C CD  . GLU   A 1 179 ? 14.361  -1.023  -16.766 1.00 62.75 ? 386 GLU   A CD  1 
ATOM   1215 O OE1 . GLU   A 1 179 ? 14.643  -0.061  -16.009 1.00 80.51 ? 386 GLU   A OE1 1 
ATOM   1216 O OE2 . GLU   A 1 179 ? 14.257  -2.209  -16.369 1.00 71.07 ? 386 GLU   A OE2 1 
ATOM   1217 N N   . ALA   A 1 180 ? 10.292  1.669   -18.943 1.00 27.58 ? 387 ALA   A N   1 
ATOM   1218 C CA  . ALA   A 1 180 ? 9.459   2.817   -19.326 1.00 28.25 ? 387 ALA   A CA  1 
ATOM   1219 C C   . ALA   A 1 180 ? 8.472   3.147   -18.185 1.00 25.10 ? 387 ALA   A C   1 
ATOM   1220 O O   . ALA   A 1 180 ? 8.290   4.332   -17.887 1.00 25.27 ? 387 ALA   A O   1 
ATOM   1221 C CB  . ALA   A 1 180 ? 8.739   2.508   -20.606 1.00 31.34 ? 387 ALA   A CB  1 
ATOM   1222 N N   . VAL   A 1 181 ? 7.888   2.139   -17.562 1.00 24.31 ? 388 VAL   A N   1 
ATOM   1223 C CA  . VAL   A 1 181 ? 6.933   2.391   -16.427 1.00 25.65 ? 388 VAL   A CA  1 
ATOM   1224 C C   . VAL   A 1 181 ? 7.728   2.918   -15.229 1.00 25.98 ? 388 VAL   A C   1 
ATOM   1225 O O   . VAL   A 1 181 ? 7.303   3.894   -14.608 1.00 23.42 ? 388 VAL   A O   1 
ATOM   1226 C CB  . VAL   A 1 181 ? 6.077   1.162   -16.109 1.00 24.64 ? 388 VAL   A CB  1 
ATOM   1227 C CG1 . VAL   A 1 181 ? 5.194   1.375   -14.863 1.00 24.02 ? 388 VAL   A CG1 1 
ATOM   1228 C CG2 . VAL   A 1 181 ? 5.224   0.807   -17.323 1.00 28.70 ? 388 VAL   A CG2 1 
ATOM   1229 N N   . GLN   A 1 182 ? 8.884   2.343   -14.916 1.00 27.05 ? 389 GLN   A N   1 
ATOM   1230 C CA  A GLN   A 1 182 ? 9.758   2.879   -13.837 0.50 28.73 ? 389 GLN   A CA  1 
ATOM   1231 C CA  B GLN   A 1 182 ? 9.732   2.895   -13.826 0.50 27.61 ? 389 GLN   A CA  1 
ATOM   1232 C C   . GLN   A 1 182 ? 10.048  4.359   -14.144 1.00 27.15 ? 389 GLN   A C   1 
ATOM   1233 O O   . GLN   A 1 182 ? 10.052  5.182   -13.209 1.00 25.41 ? 389 GLN   A O   1 
ATOM   1234 C CB  A GLN   A 1 182 ? 11.029  2.022   -13.708 0.50 31.74 ? 389 GLN   A CB  1 
ATOM   1235 C CB  B GLN   A 1 182 ? 11.022  2.093   -13.640 0.50 29.23 ? 389 GLN   A CB  1 
ATOM   1236 C CG  A GLN   A 1 182 ? 10.786  0.610   -13.173 0.50 32.48 ? 389 GLN   A CG  1 
ATOM   1237 C CG  B GLN   A 1 182 ? 11.969  2.705   -12.614 0.50 27.55 ? 389 GLN   A CG  1 
ATOM   1238 C CD  A GLN   A 1 182 ? 12.039  -0.228  -12.989 0.50 34.98 ? 389 GLN   A CD  1 
ATOM   1239 C CD  B GLN   A 1 182 ? 11.373  2.696   -11.229 0.50 30.65 ? 389 GLN   A CD  1 
ATOM   1240 O OE1 A GLN   A 1 182 ? 12.285  -0.784  -11.924 0.50 35.66 ? 389 GLN   A OE1 1 
ATOM   1241 O OE1 B GLN   A 1 182 ? 10.965  1.652   -10.735 0.50 29.90 ? 389 GLN   A OE1 1 
ATOM   1242 N NE2 A GLN   A 1 182 ? 12.836  -0.365  -14.033 0.50 34.23 ? 389 GLN   A NE2 1 
ATOM   1243 N NE2 B GLN   A 1 182 ? 11.334  3.856   -10.593 0.50 29.42 ? 389 GLN   A NE2 1 
ATOM   1244 N N   . LYS   A 1 183 ? 10.310  4.690   -15.416 1.00 26.93 ? 390 LYS   A N   1 
ATOM   1245 C CA  . LYS   A 1 183 ? 10.658  6.080   -15.791 1.00 26.60 ? 390 LYS   A CA  1 
ATOM   1246 C C   . LYS   A 1 183 ? 9.448   6.979   -15.520 1.00 22.51 ? 390 LYS   A C   1 
ATOM   1247 O O   . LYS   A 1 183 ? 9.629   8.077   -15.030 1.00 25.05 ? 390 LYS   A O   1 
ATOM   1248 C CB  . LYS   A 1 183 ? 11.107  6.208   -17.255 1.00 33.09 ? 390 LYS   A CB  1 
ATOM   1249 C CG  . LYS   A 1 183 ? 11.608  7.598   -17.625 1.00 41.72 ? 390 LYS   A CG  1 
ATOM   1250 C CD  . LYS   A 1 183 ? 12.978  7.869   -17.031 1.00 53.30 ? 390 LYS   A CD  1 
ATOM   1251 C CE  . LYS   A 1 183 ? 13.039  9.070   -16.112 1.00 60.13 ? 390 LYS   A CE  1 
ATOM   1252 N NZ  . LYS   A 1 183 ? 13.351  10.303  -16.870 1.00 64.10 ? 390 LYS   A NZ  1 
ATOM   1253 N N   . LEU   A 1 184 ? 8.253   6.544   -15.877 1.00 23.22 ? 391 LEU   A N   1 
ATOM   1254 C CA  . LEU   A 1 184 ? 7.029   7.325   -15.568 1.00 22.72 ? 391 LEU   A CA  1 
ATOM   1255 C C   . LEU   A 1 184 ? 6.900   7.524   -14.034 1.00 22.16 ? 391 LEU   A C   1 
ATOM   1256 O O   . LEU   A 1 184 ? 6.606   8.648   -13.629 1.00 21.48 ? 391 LEU   A O   1 
ATOM   1257 C CB  . LEU   A 1 184 ? 5.829   6.576   -16.128 1.00 24.34 ? 391 LEU   A CB  1 
ATOM   1258 C CG  . LEU   A 1 184 ? 4.476   7.271   -15.925 1.00 27.52 ? 391 LEU   A CG  1 
ATOM   1259 C CD1 . LEU   A 1 184 ? 4.425   8.613   -16.629 1.00 28.21 ? 391 LEU   A CD1 1 
ATOM   1260 C CD2 . LEU   A 1 184 ? 3.355   6.369   -16.402 1.00 31.56 ? 391 LEU   A CD2 1 
ATOM   1261 N N   . GLN   A 1 185 ? 7.074   6.449   -13.271 1.00 22.90 ? 392 GLN   A N   1 
ATOM   1262 C CA  . GLN   A 1 185 ? 7.028   6.491   -11.773 1.00 24.55 ? 392 GLN   A CA  1 
ATOM   1263 C C   . GLN   A 1 185 ? 8.009   7.568   -11.322 1.00 22.01 ? 392 GLN   A C   1 
ATOM   1264 O O   . GLN   A 1 185 ? 7.638   8.399   -10.487 1.00 21.73 ? 392 GLN   A O   1 
ATOM   1265 C CB  . GLN   A 1 185 ? 7.389   5.150   -11.155 1.00 25.33 ? 392 GLN   A CB  1 
ATOM   1266 C CG  . GLN   A 1 185 ? 6.430   4.008   -11.483 1.00 33.31 ? 392 GLN   A CG  1 
ATOM   1267 C CD  . GLN   A 1 185 ? 6.836   2.682   -10.880 1.00 39.25 ? 392 GLN   A CD  1 
ATOM   1268 O OE1 . GLN   A 1 185 ? 7.860   2.575   -10.203 1.00 41.34 ? 392 GLN   A OE1 1 
ATOM   1269 N NE2 . GLN   A 1 185 ? 6.026   1.651   -11.100 1.00 36.73 ? 392 GLN   A NE2 1 
ATOM   1270 N N   . ASP   A 1 186 ? 9.204   7.605   -11.931 1.00 22.62 ? 393 ASP   A N   1 
ATOM   1271 C CA  . ASP   A 1 186 ? 10.306  8.494   -11.471 1.00 24.90 ? 393 ASP   A CA  1 
ATOM   1272 C C   . ASP   A 1 186 ? 9.964   9.954   -11.738 1.00 21.28 ? 393 ASP   A C   1 
ATOM   1273 O O   . ASP   A 1 186 ? 10.211  10.812  -10.907 1.00 22.70 ? 393 ASP   A O   1 
ATOM   1274 C CB  . ASP   A 1 186 ? 11.642  8.137   -12.127 1.00 31.10 ? 393 ASP   A CB  1 
ATOM   1275 C CG  . ASP   A 1 186 ? 12.313  6.905   -11.558 1.00 45.52 ? 393 ASP   A CG  1 
ATOM   1276 O OD1 . ASP   A 1 186 ? 11.641  6.148   -10.804 1.00 60.64 ? 393 ASP   A OD1 1 
ATOM   1277 O OD2 . ASP   A 1 186 ? 13.516  6.704   -11.852 1.00 59.57 ? 393 ASP   A OD2 1 
ATOM   1278 N N   . VAL   A 1 187 ? 9.475   10.244  -12.933 1.00 21.72 ? 394 VAL   A N   1 
ATOM   1279 C CA  . VAL   A 1 187 ? 9.039   11.585  -13.353 1.00 21.56 ? 394 VAL   A CA  1 
ATOM   1280 C C   . VAL   A 1 187 ? 7.992   12.147  -12.385 1.00 20.25 ? 394 VAL   A C   1 
ATOM   1281 O O   . VAL   A 1 187 ? 8.091   13.322  -11.956 1.00 21.00 ? 394 VAL   A O   1 
ATOM   1282 C CB  . VAL   A 1 187 ? 8.564   11.474  -14.814 1.00 24.92 ? 394 VAL   A CB  1 
ATOM   1283 C CG1 . VAL   A 1 187 ? 7.710   12.619  -15.244 1.00 27.46 ? 394 VAL   A CG1 1 
ATOM   1284 C CG2 . VAL   A 1 187 ? 9.755   11.305  -15.744 1.00 28.13 ? 394 VAL   A CG2 1 
ATOM   1285 N N   . LEU   A 1 188 ? 7.017   11.347  -12.006 1.00 20.49 ? 395 LEU   A N   1 
ATOM   1286 C CA  . LEU   A 1 188 ? 5.896   11.826  -11.156 1.00 19.03 ? 395 LEU   A CA  1 
ATOM   1287 C C   . LEU   A 1 188 ? 6.345   11.949  -9.689  1.00 18.72 ? 395 LEU   A C   1 
ATOM   1288 O O   . LEU   A 1 188 ? 6.014   12.972  -9.049  1.00 19.38 ? 395 LEU   A O   1 
ATOM   1289 C CB  . LEU   A 1 188 ? 4.754   10.843  -11.335 1.00 19.42 ? 395 LEU   A CB  1 
ATOM   1290 C CG  . LEU   A 1 188 ? 4.143   10.794  -12.734 1.00 20.49 ? 395 LEU   A CG  1 
ATOM   1291 C CD1 . LEU   A 1 188 ? 3.153   9.648   -12.837 1.00 22.94 ? 395 LEU   A CD1 1 
ATOM   1292 C CD2 . LEU   A 1 188 ? 3.473   12.102  -13.098 1.00 22.81 ? 395 LEU   A CD2 1 
ATOM   1293 N N   . HIS   A 1 189 ? 7.155   11.004  -9.226  1.00 21.40 ? 396 HIS   A N   1 
ATOM   1294 C CA  . HIS   A 1 189 ? 7.767   11.060  -7.876  1.00 21.71 ? 396 HIS   A CA  1 
ATOM   1295 C C   . HIS   A 1 189 ? 8.654   12.318  -7.782  1.00 23.22 ? 396 HIS   A C   1 
ATOM   1296 O O   . HIS   A 1 189 ? 8.567   13.061  -6.792  1.00 22.13 ? 396 HIS   A O   1 
ATOM   1297 C CB  . HIS   A 1 189 ? 8.503   9.753   -7.602  1.00 23.57 ? 396 HIS   A CB  1 
ATOM   1298 C CG  . HIS   A 1 189 ? 9.241   9.708   -6.310  1.00 21.90 ? 396 HIS   A CG  1 
ATOM   1299 N ND1 . HIS   A 1 189 ? 10.234  8.802   -6.102  1.00 26.18 ? 396 HIS   A ND1 1 
ATOM   1300 C CD2 . HIS   A 1 189 ? 9.090   10.387  -5.157  1.00 25.88 ? 396 HIS   A CD2 1 
ATOM   1301 C CE1 . HIS   A 1 189 ? 10.715  8.954   -4.880  1.00 26.90 ? 396 HIS   A CE1 1 
ATOM   1302 N NE2 . HIS   A 1 189 ? 10.050  9.933   -4.282  1.00 23.80 ? 396 HIS   A NE2 1 
ATOM   1303 N N   . GLU   A 1 190 ? 9.465   12.574  -8.799  1.00 24.75 ? 397 GLU   A N   1 
ATOM   1304 C CA  . GLU   A 1 190 ? 10.309  13.798  -8.864  1.00 24.48 ? 397 GLU   A CA  1 
ATOM   1305 C C   . GLU   A 1 190 ? 9.416   15.031  -8.797  1.00 21.27 ? 397 GLU   A C   1 
ATOM   1306 O O   . GLU   A 1 190 ? 9.719   15.975  -8.075  1.00 22.14 ? 397 GLU   A O   1 
ATOM   1307 C CB  . GLU   A 1 190 ? 11.197  13.784  -10.111 1.00 29.98 ? 397 GLU   A CB  1 
ATOM   1308 C CG  . GLU   A 1 190 ? 12.009  15.059  -10.243 1.00 33.01 ? 397 GLU   A CG  1 
ATOM   1309 C CD  . GLU   A 1 190 ? 12.822  15.147  -11.529 1.00 44.81 ? 397 GLU   A CD  1 
ATOM   1310 O OE1 . GLU   A 1 190 ? 12.294  14.764  -12.622 1.00 39.30 ? 397 GLU   A OE1 1 
ATOM   1311 O OE2 . GLU   A 1 190 ? 13.975  15.631  -11.444 1.00 53.17 ? 397 GLU   A OE2 1 
ATOM   1312 N N   . ALA   A 1 191 ? 8.269   15.015  -9.449  1.00 22.57 ? 398 ALA   A N   1 
ATOM   1313 C CA  . ALA   A 1 191 ? 7.344   16.163  -9.423  1.00 21.79 ? 398 ALA   A CA  1 
ATOM   1314 C C   . ALA   A 1 191 ? 6.861   16.346  -7.999  1.00 20.96 ? 398 ALA   A C   1 
ATOM   1315 O O   . ALA   A 1 191 ? 6.779   17.479  -7.508  1.00 24.20 ? 398 ALA   A O   1 
ATOM   1316 C CB  . ALA   A 1 191 ? 6.178   15.924  -10.376 1.00 22.72 ? 398 ALA   A CB  1 
ATOM   1317 N N   . LEU   A 1 192 ? 6.486   15.257  -7.337  1.00 20.64 ? 399 LEU   A N   1 
ATOM   1318 C CA  . LEU   A 1 192 ? 5.969   15.373  -5.963  1.00 20.62 ? 399 LEU   A CA  1 
ATOM   1319 C C   . LEU   A 1 192 ? 7.078   15.913  -5.069  1.00 19.74 ? 399 LEU   A C   1 
ATOM   1320 O O   . LEU   A 1 192 ? 6.824   16.849  -4.284  1.00 20.82 ? 399 LEU   A O   1 
ATOM   1321 C CB  . LEU   A 1 192 ? 5.471   14.006  -5.495  1.00 20.66 ? 399 LEU   A CB  1 
ATOM   1322 C CG  . LEU   A 1 192 ? 5.020   13.976  -4.031  1.00 20.90 ? 399 LEU   A CG  1 
ATOM   1323 C CD1 . LEU   A 1 192 ? 3.772   14.793  -3.829  1.00 23.70 ? 399 LEU   A CD1 1 
ATOM   1324 C CD2 . LEU   A 1 192 ? 4.791   12.528  -3.612  1.00 23.71 ? 399 LEU   A CD2 1 
ATOM   1325 N N   . GLN   A 1 193 ? 8.277   15.370  -5.178  1.00 21.95 ? 400 GLN   A N   1 
ATOM   1326 C CA  . GLN   A 1 193 ? 9.403   15.826  -4.313  1.00 23.20 ? 400 GLN   A CA  1 
ATOM   1327 C C   . GLN   A 1 193 ? 9.687   17.321  -4.571  1.00 24.03 ? 400 GLN   A C   1 
ATOM   1328 O O   . GLN   A 1 193 ? 9.853   18.062  -3.591  1.00 21.79 ? 400 GLN   A O   1 
ATOM   1329 C CB  . GLN   A 1 193 ? 10.660  14.967  -4.497  1.00 27.75 ? 400 GLN   A CB  1 
ATOM   1330 C CG  . GLN   A 1 193 ? 10.554  13.518  -4.008  1.00 34.48 ? 400 GLN   A CG  1 
ATOM   1331 C CD  . GLN   A 1 193 ? 10.779  13.187  -2.534  1.00 45.24 ? 400 GLN   A CD  1 
ATOM   1332 O OE1 . GLN   A 1 193 ? 11.075  14.039  -1.683  1.00 45.99 ? 400 GLN   A OE1 1 
ATOM   1333 N NE2 . GLN   A 1 193 ? 10.610  11.903  -2.200  1.00 48.80 ? 400 GLN   A NE2 1 
ATOM   1334 N N   . ASP   A 1 194 ? 9.725   17.770  -5.834  1.00 25.18 ? 401 ASP   A N   1 
ATOM   1335 C CA  A ASP   A 1 194 ? 9.994   19.197  -6.185  0.50 26.80 ? 401 ASP   A CA  1 
ATOM   1336 C CA  B ASP   A 1 194 ? 9.964   19.196  -6.197  0.50 27.38 ? 401 ASP   A CA  1 
ATOM   1337 C C   . ASP   A 1 194 ? 8.891   20.091  -5.613  1.00 29.48 ? 401 ASP   A C   1 
ATOM   1338 O O   . ASP   A 1 194 ? 9.220   21.163  -5.030  1.00 29.13 ? 401 ASP   A O   1 
ATOM   1339 C CB  A ASP   A 1 194 ? 10.167  19.379  -7.699  0.50 28.81 ? 401 ASP   A CB  1 
ATOM   1340 C CB  B ASP   A 1 194 ? 9.939   19.398  -7.705  0.50 30.88 ? 401 ASP   A CB  1 
ATOM   1341 C CG  A ASP   A 1 194 ? 10.630  20.772  -8.113  0.50 30.98 ? 401 ASP   A CG  1 
ATOM   1342 C CG  B ASP   A 1 194 ? 11.185  18.851  -8.343  0.50 33.21 ? 401 ASP   A CG  1 
ATOM   1343 O OD1 A ASP   A 1 194 ? 11.727  21.161  -7.689  0.50 32.17 ? 401 ASP   A OD1 1 
ATOM   1344 O OD1 B ASP   A 1 194 ? 12.150  18.657  -7.587  0.50 35.68 ? 401 ASP   A OD1 1 
ATOM   1345 O OD2 A ASP   A 1 194 ? 9.864   21.480  -8.814  0.50 31.01 ? 401 ASP   A OD2 1 
ATOM   1346 O OD2 B ASP   A 1 194 ? 11.166  18.614  -9.568  0.50 38.61 ? 401 ASP   A OD2 1 
ATOM   1347 N N   . TYR   A 1 195 ? 7.633   19.682  -5.750  1.00 27.41 ? 402 TYR   A N   1 
ATOM   1348 C CA  . TYR   A 1 195 ? 6.526   20.482  -5.217  1.00 23.41 ? 402 TYR   A CA  1 
ATOM   1349 C C   . TYR   A 1 195 ? 6.629   20.631  -3.706  1.00 25.21 ? 402 TYR   A C   1 
ATOM   1350 O O   . TYR   A 1 195 ? 6.460   21.725  -3.144  1.00 24.39 ? 402 TYR   A O   1 
ATOM   1351 C CB  . TYR   A 1 195 ? 5.189   19.859  -5.622  1.00 26.46 ? 402 TYR   A CB  1 
ATOM   1352 C CG  . TYR   A 1 195 ? 4.046   20.587  -4.996  1.00 28.12 ? 402 TYR   A CG  1 
ATOM   1353 C CD1 . TYR   A 1 195 ? 3.510   21.714  -5.605  1.00 31.57 ? 402 TYR   A CD1 1 
ATOM   1354 C CD2 . TYR   A 1 195 ? 3.520   20.186  -3.787  1.00 27.42 ? 402 TYR   A CD2 1 
ATOM   1355 C CE1 . TYR   A 1 195 ? 2.468   22.413  -5.017  1.00 31.11 ? 402 TYR   A CE1 1 
ATOM   1356 C CE2 . TYR   A 1 195 ? 2.515   20.898  -3.168  1.00 29.88 ? 402 TYR   A CE2 1 
ATOM   1357 C CZ  . TYR   A 1 195 ? 1.942   21.980  -3.821  1.00 34.64 ? 402 TYR   A CZ  1 
ATOM   1358 O OH  . TYR   A 1 195 ? 0.909   22.664  -3.236  1.00 41.81 ? 402 TYR   A OH  1 
ATOM   1359 N N   . GLU   A 1 196 ? 6.884   19.545  -2.986  1.00 22.86 ? 403 GLU   A N   1 
ATOM   1360 C CA  . GLU   A 1 196 ? 6.962   19.636  -1.514  1.00 22.61 ? 403 GLU   A CA  1 
ATOM   1361 C C   . GLU   A 1 196 ? 8.189   20.444  -1.062  1.00 23.27 ? 403 GLU   A C   1 
ATOM   1362 O O   . GLU   A 1 196 ? 8.104   21.116  -0.017  1.00 27.38 ? 403 GLU   A O   1 
ATOM   1363 C CB  . GLU   A 1 196 ? 7.024   18.236  -0.920  1.00 24.46 ? 403 GLU   A CB  1 
ATOM   1364 C CG  . GLU   A 1 196 ? 5.764   17.441  -1.176  1.00 25.56 ? 403 GLU   A CG  1 
ATOM   1365 C CD  . GLU   A 1 196 ? 4.463   18.019  -0.659  1.00 27.18 ? 403 GLU   A CD  1 
ATOM   1366 O OE1 . GLU   A 1 196 ? 4.500   18.943  0.196   1.00 29.73 ? 403 GLU   A OE1 1 
ATOM   1367 O OE2 . GLU   A 1 196 ? 3.409   17.515  -1.083  1.00 25.46 ? 403 GLU   A OE2 1 
ATOM   1368 N N   . ALA   A 1 197 ? 9.293   20.342  -1.777  1.00 26.59 ? 404 ALA   A N   1 
ATOM   1369 C CA  . ALA   A 1 197 ? 10.549  21.051  -1.454  1.00 32.79 ? 404 ALA   A CA  1 
ATOM   1370 C C   . ALA   A 1 197 ? 10.306  22.559  -1.580  1.00 36.91 ? 404 ALA   A C   1 
ATOM   1371 O O   . ALA   A 1 197 ? 10.759  23.311  -0.676  1.00 36.46 ? 404 ALA   A O   1 
ATOM   1372 C CB  . ALA   A 1 197 ? 11.646  20.593  -2.381  1.00 38.14 ? 404 ALA   A CB  1 
ATOM   1373 N N   . GLY   A 1 198 ? 9.625   22.957  -2.662  1.00 32.83 ? 405 GLY   A N   1 
ATOM   1374 C CA  . GLY   A 1 198 ? 9.216   24.343  -2.970  1.00 37.00 ? 405 GLY   A CA  1 
ATOM   1375 C C   . GLY   A 1 198 ? 8.130   24.859  -2.043  1.00 38.32 ? 405 GLY   A C   1 
ATOM   1376 O O   . GLY   A 1 198 ? 8.254   25.993  -1.535  1.00 40.06 ? 405 GLY   A O   1 
ATOM   1377 N N   . GLN   A 1 199 ? 7.073   24.079  -1.807  1.00 35.62 ? 406 GLN   A N   1 
ATOM   1378 C CA  . GLN   A 1 199 ? 5.847   24.591  -1.159  1.00 31.63 ? 406 GLN   A CA  1 
ATOM   1379 C C   . GLN   A 1 199 ? 5.824   24.290  0.328   1.00 34.04 ? 406 GLN   A C   1 
ATOM   1380 O O   . GLN   A 1 199 ? 5.047   24.956  1.016   1.00 33.10 ? 406 GLN   A O   1 
ATOM   1381 C CB  . GLN   A 1 199 ? 4.596   24.014  -1.824  1.00 38.99 ? 406 GLN   A CB  1 
ATOM   1382 C CG  . GLN   A 1 199 ? 4.498   24.372  -3.296  1.00 46.02 ? 406 GLN   A CG  1 
ATOM   1383 C CD  . GLN   A 1 199 ? 4.475   25.866  -3.503  1.00 56.32 ? 406 GLN   A CD  1 
ATOM   1384 O OE1 . GLN   A 1 199 ? 3.714   26.582  -2.845  1.00 57.91 ? 406 GLN   A OE1 1 
ATOM   1385 N NE2 . GLN   A 1 199 ? 5.332   26.340  -4.397  1.00 52.89 ? 406 GLN   A NE2 1 
ATOM   1386 N N   . HIS   A 1 200 ? 6.578   23.297  0.806   1.00 32.36 ? 407 HIS   A N   1 
ATOM   1387 C CA  . HIS   A 1 200 ? 6.425   22.746  2.178   1.00 28.40 ? 407 HIS   A CA  1 
ATOM   1388 C C   . HIS   A 1 200 ? 7.812   22.583  2.798   1.00 33.99 ? 407 HIS   A C   1 
ATOM   1389 O O   . HIS   A 1 200 ? 8.126   21.496  3.353   1.00 30.77 ? 407 HIS   A O   1 
ATOM   1390 C CB  . HIS   A 1 200 ? 5.587   21.455  2.158   1.00 30.52 ? 407 HIS   A CB  1 
ATOM   1391 C CG  . HIS   A 1 200 ? 4.128   21.749  2.075   1.00 27.25 ? 407 HIS   A CG  1 
ATOM   1392 N ND1 . HIS   A 1 200 ? 3.411   22.167  3.192   1.00 29.09 ? 407 HIS   A ND1 1 
ATOM   1393 C CD2 . HIS   A 1 200 ? 3.272   21.757  1.027   1.00 29.15 ? 407 HIS   A CD2 1 
ATOM   1394 C CE1 . HIS   A 1 200 ? 2.149   22.399  2.834   1.00 32.44 ? 407 HIS   A CE1 1 
ATOM   1395 N NE2 . HIS   A 1 200 ? 2.038   22.140  1.510   1.00 29.08 ? 407 HIS   A NE2 1 
ATOM   1396 N N   . MET   A 1 201 ? 8.579   23.670  2.775   1.00 33.76 ? 408 MET   A N   1 
ATOM   1397 C CA  . MET   A 1 201 ? 9.938   23.755  3.366   1.00 38.69 ? 408 MET   A CA  1 
ATOM   1398 C C   . MET   A 1 201 ? 9.883   23.368  4.844   1.00 34.29 ? 408 MET   A C   1 
ATOM   1399 O O   . MET   A 1 201 ? 10.856  22.818  5.357   1.00 45.60 ? 408 MET   A O   1 
ATOM   1400 C CB  . MET   A 1 201 ? 10.454  25.195  3.279   1.00 49.67 ? 408 MET   A CB  1 
ATOM   1401 C CG  . MET   A 1 201 ? 10.835  25.636  1.890   1.00 53.93 ? 408 MET   A CG  1 
ATOM   1402 S SD  . MET   A 1 201 ? 12.288  26.725  1.973   1.00 69.37 ? 408 MET   A SD  1 
ATOM   1403 C CE  . MET   A 1 201 ? 12.723  26.836  0.235   1.00 68.02 ? 408 MET   A CE  1 
ATOM   1404 N N   . GLU   A 1 202 ? 8.789   23.690  5.517   1.00 31.78 ? 409 GLU   A N   1 
ATOM   1405 C CA  . GLU   A 1 202 ? 8.599   23.439  6.968   1.00 32.19 ? 409 GLU   A CA  1 
ATOM   1406 C C   . GLU   A 1 202 ? 8.565   21.923  7.256   1.00 35.21 ? 409 GLU   A C   1 
ATOM   1407 O O   . GLU   A 1 202 ? 8.780   21.558  8.403   1.00 32.54 ? 409 GLU   A O   1 
ATOM   1408 C CB  . GLU   A 1 202 ? 7.310   24.086  7.461   1.00 33.15 ? 409 GLU   A CB  1 
ATOM   1409 C CG  . GLU   A 1 202 ? 6.035   23.291  7.189   1.00 35.63 ? 409 GLU   A CG  1 
ATOM   1410 C CD  . GLU   A 1 202 ? 5.468   23.300  5.782   1.00 33.72 ? 409 GLU   A CD  1 
ATOM   1411 O OE1 . GLU   A 1 202 ? 6.025   23.975  4.916   1.00 36.96 ? 409 GLU   A OE1 1 
ATOM   1412 O OE2 . GLU   A 1 202 ? 4.427   22.631  5.568   1.00 38.27 ? 409 GLU   A OE2 1 
ATOM   1413 N N   . ASP   A 1 203 ? 8.251   21.060  6.276   1.00 30.08 ? 410 ASP   A N   1 
ATOM   1414 C CA  . ASP   A 1 203 ? 8.188   19.594  6.538   1.00 28.98 ? 410 ASP   A CA  1 
ATOM   1415 C C   . ASP   A 1 203 ? 8.988   18.876  5.466   1.00 27.99 ? 410 ASP   A C   1 
ATOM   1416 O O   . ASP   A 1 203 ? 8.455   18.587  4.392   1.00 26.25 ? 410 ASP   A O   1 
ATOM   1417 C CB  . ASP   A 1 203 ? 6.749   19.098  6.616   1.00 30.82 ? 410 ASP   A CB  1 
ATOM   1418 C CG  . ASP   A 1 203 ? 6.678   17.597  6.928   1.00 32.87 ? 410 ASP   A CG  1 
ATOM   1419 O OD1 . ASP   A 1 203 ? 7.766   16.975  7.095   1.00 30.70 ? 410 ASP   A OD1 1 
ATOM   1420 O OD2 . ASP   A 1 203 ? 5.549   17.069  6.975   1.00 31.93 ? 410 ASP   A OD2 1 
ATOM   1421 N N   . PRO   A 1 204 ? 10.300  18.625  5.691   1.00 29.76 ? 411 PRO   A N   1 
ATOM   1422 C CA  . PRO   A 1 204 ? 11.128  17.989  4.685   1.00 32.80 ? 411 PRO   A CA  1 
ATOM   1423 C C   . PRO   A 1 204 ? 10.698  16.529  4.453   1.00 25.57 ? 411 PRO   A C   1 
ATOM   1424 O O   . PRO   A 1 204 ? 11.198  15.950  3.542   1.00 30.44 ? 411 PRO   A O   1 
ATOM   1425 C CB  . PRO   A 1 204 ? 12.581  18.062  5.217   1.00 31.68 ? 411 PRO   A CB  1 
ATOM   1426 C CG  . PRO   A 1 204 ? 12.437  18.366  6.693   1.00 34.08 ? 411 PRO   A CG  1 
ATOM   1427 C CD  . PRO   A 1 204 ? 11.051  18.942  6.925   1.00 34.02 ? 411 PRO   A CD  1 
ATOM   1428 N N   . ARG   A 1 205 ? 9.756   16.004  5.212   1.00 26.08 ? 412 ARG   A N   1 
ATOM   1429 C CA  . ARG   A 1 205 ? 9.322   14.582  5.044   1.00 27.47 ? 412 ARG   A CA  1 
ATOM   1430 C C   . ARG   A 1 205 ? 7.921   14.525  4.426   1.00 23.93 ? 412 ARG   A C   1 
ATOM   1431 O O   . ARG   A 1 205 ? 7.333   13.458  4.356   1.00 20.95 ? 412 ARG   A O   1 
ATOM   1432 C CB  . ARG   A 1 205 ? 9.448   13.890  6.391   1.00 30.53 ? 412 ARG   A CB  1 
ATOM   1433 C CG  . ARG   A 1 205 ? 10.905  13.522  6.644   1.00 35.50 ? 412 ARG   A CG  1 
ATOM   1434 C CD  . ARG   A 1 205 ? 11.082  12.781  7.934   1.00 37.27 ? 412 ARG   A CD  1 
ATOM   1435 N NE  . ARG   A 1 205 ? 10.759  13.690  9.001   1.00 40.34 ? 412 ARG   A NE  1 
ATOM   1436 C CZ  . ARG   A 1 205 ? 11.592  14.599  9.463   1.00 38.93 ? 412 ARG   A CZ  1 
ATOM   1437 N NH1 . ARG   A 1 205 ? 12.811  14.711  8.959   1.00 42.03 ? 412 ARG   A NH1 1 
ATOM   1438 N NH2 . ARG   A 1 205 ? 11.198  15.372  10.444  1.00 41.24 ? 412 ARG   A NH2 1 
ATOM   1439 N N   . ARG   A 1 206 ? 7.393   15.648  3.953   1.00 23.29 ? 413 ARG   A N   1 
ATOM   1440 C CA  . ARG   A 1 206 ? 5.983   15.676  3.509   1.00 21.89 ? 413 ARG   A CA  1 
ATOM   1441 C C   . ARG   A 1 206 ? 5.783   14.772  2.279   1.00 18.85 ? 413 ARG   A C   1 
ATOM   1442 O O   . ARG   A 1 206 ? 4.709   14.175  2.180   1.00 19.30 ? 413 ARG   A O   1 
ATOM   1443 C CB  . ARG   A 1 206 ? 5.511   17.108  3.232   1.00 22.85 ? 413 ARG   A CB  1 
ATOM   1444 C CG  . ARG   A 1 206 ? 4.023   17.173  2.920   1.00 25.76 ? 413 ARG   A CG  1 
ATOM   1445 C CD  . ARG   A 1 206 ? 3.447   18.575  3.046   1.00 25.20 ? 413 ARG   A CD  1 
ATOM   1446 N NE  . ARG   A 1 206 ? 2.089   18.687  2.559   1.00 24.63 ? 413 ARG   A NE  1 
ATOM   1447 C CZ  . ARG   A 1 206 ? 1.021   18.682  3.349   1.00 25.53 ? 413 ARG   A CZ  1 
ATOM   1448 N NH1 . ARG   A 1 206 ? 1.160   18.488  4.653   1.00 25.63 ? 413 ARG   A NH1 1 
ATOM   1449 N NH2 . ARG   A 1 206 ? -0.182  18.804  2.840   1.00 24.55 ? 413 ARG   A NH2 1 
ATOM   1450 N N   . ALA   A 1 207 ? 6.706   14.732  1.336   1.00 18.78 ? 414 ALA   A N   1 
ATOM   1451 C CA  . ALA   A 1 207 ? 6.562   13.907  0.112   1.00 17.54 ? 414 ALA   A CA  1 
ATOM   1452 C C   . ALA   A 1 207 ? 6.476   12.443  0.533   1.00 18.50 ? 414 ALA   A C   1 
ATOM   1453 O O   . ALA   A 1 207 ? 5.561   11.809  0.151   1.00 18.05 ? 414 ALA   A O   1 
ATOM   1454 C CB  . ALA   A 1 207 ? 7.723   14.114  -0.807  1.00 20.04 ? 414 ALA   A CB  1 
ATOM   1455 N N   . GLY   A 1 208 ? 7.380   11.992  1.402   1.00 18.14 ? 415 GLY   A N   1 
ATOM   1456 C CA  . GLY   A 1 208 ? 7.321   10.622  1.939   1.00 19.29 ? 415 GLY   A CA  1 
ATOM   1457 C C   . GLY   A 1 208 ? 6.060   10.350  2.719   1.00 18.56 ? 415 GLY   A C   1 
ATOM   1458 O O   . GLY   A 1 208 ? 5.498   9.236   2.585   1.00 18.33 ? 415 GLY   A O   1 
ATOM   1459 N N   . LYS   A 1 209 ? 5.559   11.301  3.504   1.00 17.28 ? 416 LYS   A N   1 
ATOM   1460 C CA  . LYS   A 1 209 ? 4.289   11.108  4.238   1.00 17.97 ? 416 LYS   A CA  1 
ATOM   1461 C C   . LYS   A 1 209 ? 3.155   10.904  3.247   1.00 18.83 ? 416 LYS   A C   1 
ATOM   1462 O O   . LYS   A 1 209 ? 2.284   10.059  3.470   1.00 18.05 ? 416 LYS   A O   1 
ATOM   1463 C CB  . LYS   A 1 209 ? 3.911   12.308  5.106   1.00 22.32 ? 416 LYS   A CB  1 
ATOM   1464 C CG  . LYS   A 1 209 ? 4.774   12.457  6.353   1.00 26.53 ? 416 LYS   A CG  1 
ATOM   1465 C CD  . LYS   A 1 209 ? 4.426   13.679  7.165   1.00 31.39 ? 416 LYS   A CD  1 
ATOM   1466 C CE  . LYS   A 1 209 ? 5.565   14.137  8.043   1.00 35.06 ? 416 LYS   A CE  1 
ATOM   1467 N NZ  . LYS   A 1 209 ? 5.060   15.183  8.955   1.00 41.51 ? 416 LYS   A NZ  1 
ATOM   1468 N N   . MET   A 1 210 ? 3.152   11.663  2.161   1.00 19.05 ? 417 MET   A N   1 
ATOM   1469 C CA  . MET   A 1 210 ? 2.132   11.454  1.106   1.00 17.56 ? 417 MET   A CA  1 
ATOM   1470 C C   . MET   A 1 210 ? 2.265   10.041  0.511   1.00 14.81 ? 417 MET   A C   1 
ATOM   1471 O O   . MET   A 1 210 ? 1.217   9.367   0.384   1.00 18.24 ? 417 MET   A O   1 
ATOM   1472 C CB  . MET   A 1 210 ? 2.271   12.527  0.029   1.00 19.94 ? 417 MET   A CB  1 
ATOM   1473 C CG  . MET   A 1 210 ? 1.950   13.890  0.576   1.00 22.14 ? 417 MET   A CG  1 
ATOM   1474 S SD  . MET   A 1 210 ? 0.177   13.992  0.892   1.00 28.29 ? 417 MET   A SD  1 
ATOM   1475 C CE  . MET   A 1 210 ? 0.111   15.542  1.818   1.00 31.37 ? 417 MET   A CE  1 
ATOM   1476 N N   . LEU   A 1 211 ? 3.463   9.595   0.190   1.00 16.06 ? 418 LEU   A N   1 
ATOM   1477 C CA  . LEU   A 1 211 ? 3.698   8.231   -0.378  1.00 16.73 ? 418 LEU   A CA  1 
ATOM   1478 C C   . LEU   A 1 211 ? 3.244   7.169   0.633   1.00 15.74 ? 418 LEU   A C   1 
ATOM   1479 O O   . LEU   A 1 211 ? 2.735   6.099   0.239   1.00 14.42 ? 418 LEU   A O   1 
ATOM   1480 C CB  . LEU   A 1 211 ? 5.177   8.066   -0.719  1.00 16.34 ? 418 LEU   A CB  1 
ATOM   1481 C CG  . LEU   A 1 211 ? 5.724   8.923   -1.860  1.00 16.99 ? 418 LEU   A CG  1 
ATOM   1482 C CD1 . LEU   A 1 211 ? 7.172   8.614   -2.069  1.00 17.40 ? 418 LEU   A CD1 1 
ATOM   1483 C CD2 . LEU   A 1 211 ? 4.931   8.707   -3.148  1.00 17.67 ? 418 LEU   A CD2 1 
ATOM   1484 N N   . MET   A 1 212 ? 3.408   7.438   1.917   1.00 15.63 ? 419 MET   A N   1 
ATOM   1485 C CA  . MET   A 1 212 ? 3.007   6.491   2.977   1.00 18.79 ? 419 MET   A CA  1 
ATOM   1486 C C   . MET   A 1 212 ? 1.487   6.415   3.149   1.00 20.08 ? 419 MET   A C   1 
ATOM   1487 O O   . MET   A 1 212 ? 1.062   5.488   3.855   1.00 20.31 ? 419 MET   A O   1 
ATOM   1488 C CB  . MET   A 1 212 ? 3.714   6.803   4.297   1.00 19.72 ? 419 MET   A CB  1 
ATOM   1489 C CG  . MET   A 1 212 ? 5.141   6.340   4.222   1.00 24.12 ? 419 MET   A CG  1 
ATOM   1490 S SD  . MET   A 1 212 ? 6.062   6.757   5.758   1.00 35.12 ? 419 MET   A SD  1 
ATOM   1491 C CE  . MET   A 1 212 ? 5.036   5.980   6.988   1.00 37.13 ? 419 MET   A CE  1 
ATOM   1492 N N   . THR   A 1 213 ? 0.691   7.233   2.446   1.00 18.01 ? 420 THR   A N   1 
ATOM   1493 C CA  . THR   A 1 213 ? -0.786  7.067   2.392   1.00 17.72 ? 420 THR   A CA  1 
ATOM   1494 C C   . THR   A 1 213 ? -1.163  6.003   1.362   1.00 17.90 ? 420 THR   A C   1 
ATOM   1495 O O   . THR   A 1 213 ? -2.307  5.540   1.391   1.00 15.66 ? 420 THR   A O   1 
ATOM   1496 C CB  . THR   A 1 213 ? -1.487  8.397   2.132   1.00 20.53 ? 420 THR   A CB  1 
ATOM   1497 O OG1 . THR   A 1 213 ? -1.281  8.819   0.774   1.00 17.55 ? 420 THR   A OG1 1 
ATOM   1498 C CG2 . THR   A 1 213 ? -1.062  9.437   3.144   1.00 19.99 ? 420 THR   A CG2 1 
ATOM   1499 N N   . LEU   A 1 214 ? -0.278  5.613   0.450   1.00 15.93 ? 421 LEU   A N   1 
ATOM   1500 C CA  . LEU   A 1 214 ? -0.665  4.739   -0.693  1.00 16.36 ? 421 LEU   A CA  1 
ATOM   1501 C C   . LEU   A 1 214 ? -1.033  3.325   -0.243  1.00 17.67 ? 421 LEU   A C   1 
ATOM   1502 O O   . LEU   A 1 214 ? -1.883  2.708   -0.872  1.00 16.94 ? 421 LEU   A O   1 
ATOM   1503 C CB  . LEU   A 1 214 ? 0.400   4.734   -1.794  1.00 18.53 ? 421 LEU   A CB  1 
ATOM   1504 C CG  . LEU   A 1 214 ? 0.588   6.106   -2.467  1.00 20.39 ? 421 LEU   A CG  1 
ATOM   1505 C CD1 . LEU   A 1 214 ? 1.782   6.066   -3.415  1.00 21.81 ? 421 LEU   A CD1 1 
ATOM   1506 C CD2 . LEU   A 1 214 ? -0.673  6.541   -3.194  1.00 22.81 ? 421 LEU   A CD2 1 
ATOM   1507 N N   . PRO   A 1 215 ? -0.429  2.744   0.806   1.00 17.36 ? 422 PRO   A N   1 
ATOM   1508 C CA  . PRO   A 1 215 ? -0.818  1.401   1.247   1.00 16.65 ? 422 PRO   A CA  1 
ATOM   1509 C C   . PRO   A 1 215 ? -2.289  1.327   1.666   1.00 13.96 ? 422 PRO   A C   1 
ATOM   1510 O O   . PRO   A 1 215 ? -2.976  0.432   1.271   1.00 14.67 ? 422 PRO   A O   1 
ATOM   1511 C CB  . PRO   A 1 215 ? 0.164   1.133   2.399   1.00 15.99 ? 422 PRO   A CB  1 
ATOM   1512 C CG  . PRO   A 1 215 ? 1.362   1.921   1.989   1.00 16.96 ? 422 PRO   A CG  1 
ATOM   1513 C CD  . PRO   A 1 215 ? 0.777   3.222   1.508   1.00 16.56 ? 422 PRO   A CD  1 
ATOM   1514 N N   . LEU   A 1 216 ? -2.797  2.328   2.379   1.00 17.05 ? 423 LEU   A N   1 
ATOM   1515 C CA  . LEU   A 1 216 ? -4.212  2.274   2.804   1.00 16.63 ? 423 LEU   A CA  1 
ATOM   1516 C C   . LEU   A 1 216 ? -5.083  2.452   1.569   1.00 16.64 ? 423 LEU   A C   1 
ATOM   1517 O O   . LEU   A 1 216 ? -6.114  1.836   1.497   1.00 17.04 ? 423 LEU   A O   1 
ATOM   1518 C CB  . LEU   A 1 216 ? -4.514  3.376   3.816   1.00 18.25 ? 423 LEU   A CB  1 
ATOM   1519 C CG  . LEU   A 1 216 ? -5.934  3.342   4.379   1.00 20.35 ? 423 LEU   A CG  1 
ATOM   1520 C CD1 . LEU   A 1 216 ? -6.261  2.000   5.052   1.00 22.98 ? 423 LEU   A CD1 1 
ATOM   1521 C CD2 . LEU   A 1 216 ? -6.132  4.512   5.333   1.00 24.68 ? 423 LEU   A CD2 1 
ATOM   1522 N N   . LEU   A 1 217 ? -4.656  3.290   0.617   1.00 15.87 ? 424 LEU   A N   1 
ATOM   1523 C CA  . LEU   A 1 217 ? -5.399  3.440   -0.665  1.00 17.47 ? 424 LEU   A CA  1 
ATOM   1524 C C   . LEU   A 1 217 ? -5.488  2.083   -1.365  1.00 16.95 ? 424 LEU   A C   1 
ATOM   1525 O O   . LEU   A 1 217 ? -6.569  1.701   -1.813  1.00 16.58 ? 424 LEU   A O   1 
ATOM   1526 C CB  . LEU   A 1 217 ? -4.718  4.497   -1.547  1.00 16.02 ? 424 LEU   A CB  1 
ATOM   1527 C CG  . LEU   A 1 217 ? -5.363  4.678   -2.917  1.00 18.33 ? 424 LEU   A CG  1 
ATOM   1528 C CD1 . LEU   A 1 217 ? -6.832  5.067   -2.785  1.00 18.75 ? 424 LEU   A CD1 1 
ATOM   1529 C CD2 . LEU   A 1 217 ? -4.583  5.741   -3.667  1.00 19.11 ? 424 LEU   A CD2 1 
ATOM   1530 N N   . ARG   A 1 218 ? -4.389  1.328   -1.420  1.00 16.89 ? 425 ARG   A N   1 
ATOM   1531 C CA  . ARG   A 1 218 ? -4.327  0.015   -2.096  1.00 16.59 ? 425 ARG   A CA  1 
ATOM   1532 C C   . ARG   A 1 218 ? -5.274  -0.964  -1.394  1.00 17.56 ? 425 ARG   A C   1 
ATOM   1533 O O   . ARG   A 1 218 ? -6.033  -1.686  -2.078  1.00 18.51 ? 425 ARG   A O   1 
ATOM   1534 C CB  . ARG   A 1 218 ? -2.893  -0.526  -2.077  1.00 18.05 ? 425 ARG   A CB  1 
ATOM   1535 C CG  . ARG   A 1 218 ? -2.688  -1.847  -2.802  1.00 18.03 ? 425 ARG   A CG  1 
ATOM   1536 C CD  . ARG   A 1 218 ? -2.946  -1.878  -4.302  1.00 19.17 ? 425 ARG   A CD  1 
ATOM   1537 N NE  . ARG   A 1 218 ? -1.987  -1.031  -4.987  1.00 21.35 ? 425 ARG   A NE  1 
ATOM   1538 C CZ  . ARG   A 1 218 ? -0.751  -1.341  -5.370  1.00 20.04 ? 425 ARG   A CZ  1 
ATOM   1539 N NH1 . ARG   A 1 218 ? -0.202  -2.527  -5.157  1.00 19.92 ? 425 ARG   A NH1 1 
ATOM   1540 N NH2 . ARG   A 1 218 ? -0.040  -0.408  -5.964  1.00 20.71 ? 425 ARG   A NH2 1 
ATOM   1541 N N   . GLN   A 1 219 ? -5.180  -1.015  -0.082  1.00 17.13 ? 426 GLN   A N   1 
ATOM   1542 C CA  . GLN   A 1 219 ? -6.012  -1.881  0.777   1.00 20.52 ? 426 GLN   A CA  1 
ATOM   1543 C C   . GLN   A 1 219 ? -7.503  -1.597  0.524   1.00 20.91 ? 426 GLN   A C   1 
ATOM   1544 O O   . GLN   A 1 219 ? -8.272  -2.545  0.373   1.00 19.93 ? 426 GLN   A O   1 
ATOM   1545 C CB  . GLN   A 1 219 ? -5.617  -1.638  2.224   1.00 23.16 ? 426 GLN   A CB  1 
ATOM   1546 C CG  . GLN   A 1 219 ? -6.323  -2.589  3.168   1.00 27.11 ? 426 GLN   A CG  1 
ATOM   1547 C CD  . GLN   A 1 219 ? -5.748  -2.520  4.564   1.00 34.76 ? 426 GLN   A CD  1 
ATOM   1548 O OE1 . GLN   A 1 219 ? -4.982  -1.626  4.921   1.00 31.00 ? 426 GLN   A OE1 1 
ATOM   1549 N NE2 . GLN   A 1 219 ? -6.129  -3.488  5.378   1.00 42.75 ? 426 GLN   A NE2 1 
ATOM   1550 N N   . THR   A 1 220 ? -7.878  -0.332  0.473   1.00 19.63 ? 427 THR   A N   1 
ATOM   1551 C CA  . THR   A 1 220 ? -9.280  0.092   0.306   1.00 20.17 ? 427 THR   A CA  1 
ATOM   1552 C C   . THR   A 1 220 ? -9.743  -0.271  -1.104  1.00 21.47 ? 427 THR   A C   1 
ATOM   1553 O O   . THR   A 1 220 ? -10.869 -0.763  -1.259  1.00 21.78 ? 427 THR   A O   1 
ATOM   1554 C CB  . THR   A 1 220 ? -9.422  1.583   0.605   1.00 22.88 ? 427 THR   A CB  1 
ATOM   1555 O OG1 . THR   A 1 220 ? -8.885  1.819   1.901   1.00 22.91 ? 427 THR   A OG1 1 
ATOM   1556 C CG2 . THR   A 1 220 ? -10.863 2.038   0.561   1.00 26.37 ? 427 THR   A CG2 1 
ATOM   1557 N N   . SER   A 1 221 ? -8.892  -0.104  -2.114  1.00 18.25 ? 428 SER   A N   1 
ATOM   1558 C CA  . SER   A 1 221 ? -9.204  -0.488  -3.499  1.00 21.95 ? 428 SER   A CA  1 
ATOM   1559 C C   . SER   A 1 221 ? -9.491  -1.992  -3.597  1.00 22.02 ? 428 SER   A C   1 
ATOM   1560 O O   . SER   A 1 221 ? -10.435 -2.368  -4.314  1.00 21.63 ? 428 SER   A O   1 
ATOM   1561 C CB  . SER   A 1 221 ? -8.079  -0.074  -4.428  1.00 23.44 ? 428 SER   A CB  1 
ATOM   1562 O OG  . SER   A 1 221 ? -8.184  -0.842  -5.630  1.00 29.53 ? 428 SER   A OG  1 
ATOM   1563 N N   . THR   A 1 222 ? -8.662  -2.842  -2.977  1.00 22.80 ? 429 THR   A N   1 
ATOM   1564 C CA  . THR   A 1 222 ? -8.845  -4.308  -2.909  1.00 25.40 ? 429 THR   A CA  1 
ATOM   1565 C C   . THR   A 1 222 ? -10.234 -4.627  -2.324  1.00 27.03 ? 429 THR   A C   1 
ATOM   1566 O O   . THR   A 1 222 ? -10.939 -5.436  -2.935  1.00 26.74 ? 429 THR   A O   1 
ATOM   1567 C CB  . THR   A 1 222 ? -7.721  -4.973  -2.093  1.00 30.00 ? 429 THR   A CB  1 
ATOM   1568 O OG1 . THR   A 1 222 ? -6.471  -4.632  -2.699  1.00 34.17 ? 429 THR   A OG1 1 
ATOM   1569 C CG2 . THR   A 1 222 ? -7.840  -6.479  -2.060  1.00 35.06 ? 429 THR   A CG2 1 
ATOM   1570 N N   . LYS   A 1 223 ? -10.589 -4.020  -1.198  1.00 25.93 ? 430 LYS   A N   1 
ATOM   1571 C CA  . LYS   A 1 223 ? -11.884 -4.245  -0.521  1.00 29.13 ? 430 LYS   A CA  1 
ATOM   1572 C C   . LYS   A 1 223 ? -13.009 -3.804  -1.465  1.00 29.92 ? 430 LYS   A C   1 
ATOM   1573 O O   . LYS   A 1 223 ? -13.989 -4.557  -1.614  1.00 27.52 ? 430 LYS   A O   1 
ATOM   1574 C CB  . LYS   A 1 223 ? -11.938 -3.495  0.799   1.00 36.85 ? 430 LYS   A CB  1 
ATOM   1575 C CG  . LYS   A 1 223 ? -13.095 -3.912  1.693   1.00 42.17 ? 430 LYS   A CG  1 
ATOM   1576 C CD  . LYS   A 1 223 ? -13.248 -3.046  2.936   1.00 53.22 ? 430 LYS   A CD  1 
ATOM   1577 C CE  . LYS   A 1 223 ? -12.669 -3.668  4.190   1.00 65.05 ? 430 LYS   A CE  1 
ATOM   1578 N NZ  . LYS   A 1 223 ? -11.234 -3.324  4.356   1.00 72.20 ? 430 LYS   A NZ  1 
ATOM   1579 N N   . ALA   A 1 224 ? -12.855 -2.676  -2.170  1.00 23.37 ? 431 ALA   A N   1 
ATOM   1580 C CA  . ALA   A 1 224 ? -13.927 -2.143  -3.045  1.00 23.05 ? 431 ALA   A CA  1 
ATOM   1581 C C   . ALA   A 1 224 ? -14.124 -3.072  -4.251  1.00 24.10 ? 431 ALA   A C   1 
ATOM   1582 O O   . ALA   A 1 224 ? -15.266 -3.374  -4.616  1.00 25.61 ? 431 ALA   A O   1 
ATOM   1583 C CB  . ALA   A 1 224 ? -13.624 -0.724  -3.456  1.00 23.35 ? 431 ALA   A CB  1 
ATOM   1584 N N   . VAL   A 1 225 ? -13.044 -3.529  -4.858  1.00 21.22 ? 432 VAL   A N   1 
ATOM   1585 C CA  . VAL   A 1 225 ? -13.107 -4.374  -6.065  1.00 25.00 ? 432 VAL   A CA  1 
ATOM   1586 C C   . VAL   A 1 225 ? -13.714 -5.718  -5.659  1.00 28.23 ? 432 VAL   A C   1 
ATOM   1587 O O   . VAL   A 1 225 ? -14.522 -6.239  -6.451  1.00 27.27 ? 432 VAL   A O   1 
ATOM   1588 C CB  . VAL   A 1 225 ? -11.737 -4.557  -6.724  1.00 27.21 ? 432 VAL   A CB  1 
ATOM   1589 C CG1 . VAL   A 1 225 ? -11.763 -5.772  -7.659  1.00 32.28 ? 432 VAL   A CG1 1 
ATOM   1590 C CG2 . VAL   A 1 225 ? -11.336 -3.291  -7.476  1.00 24.20 ? 432 VAL   A CG2 1 
ATOM   1591 N N   . GLN   A 1 226 ? -13.296 -6.268  -4.529  1.00 29.42 ? 433 GLN   A N   1 
ATOM   1592 C CA  A GLN   A 1 226 ? -13.828 -7.557  -4.012  0.50 33.44 ? 433 GLN   A CA  1 
ATOM   1593 C CA  B GLN   A 1 226 ? -13.836 -7.561  -4.023  0.50 32.27 ? 433 GLN   A CA  1 
ATOM   1594 C C   . GLN   A 1 226 ? -15.355 -7.414  -3.857  1.00 33.36 ? 433 GLN   A C   1 
ATOM   1595 O O   . GLN   A 1 226 ? -16.098 -8.271  -4.389  1.00 34.99 ? 433 GLN   A O   1 
ATOM   1596 C CB  A GLN   A 1 226 ? -13.109 -7.932  -2.712  0.50 33.27 ? 433 GLN   A CB  1 
ATOM   1597 C CB  B GLN   A 1 226 ? -13.237 -7.975  -2.678  0.50 30.47 ? 433 GLN   A CB  1 
ATOM   1598 C CG  A GLN   A 1 226 ? -11.733 -8.555  -2.968  0.50 37.88 ? 433 GLN   A CG  1 
ATOM   1599 C CG  B GLN   A 1 226 ? -13.444 -9.459  -2.364  0.50 32.53 ? 433 GLN   A CG  1 
ATOM   1600 C CD  A GLN   A 1 226 ? -10.872 -8.817  -1.754  0.50 37.20 ? 433 GLN   A CD  1 
ATOM   1601 C CD  B GLN   A 1 226 ? -13.270 -10.329 -3.587  0.50 33.89 ? 433 GLN   A CD  1 
ATOM   1602 O OE1 A GLN   A 1 226 ? -11.209 -8.491  -0.617  0.50 42.41 ? 433 GLN   A OE1 1 
ATOM   1603 O OE1 B GLN   A 1 226 ? -12.263 -10.259 -4.292  0.50 41.56 ? 433 GLN   A OE1 1 
ATOM   1604 N NE2 A GLN   A 1 226 ? -9.714  -9.402  -2.001  0.50 36.56 ? 433 GLN   A NE2 1 
ATOM   1605 N NE2 B GLN   A 1 226 ? -14.276 -11.139 -3.882  0.50 35.89 ? 433 GLN   A NE2 1 
ATOM   1606 N N   . HIS   A 1 227 ? -15.782 -6.365  -3.158  1.00 31.44 ? 434 HIS   A N   1 
ATOM   1607 C CA  . HIS   A 1 227 ? -17.204 -6.040  -2.883  1.00 32.14 ? 434 HIS   A CA  1 
ATOM   1608 C C   . HIS   A 1 227 ? -18.012 -5.947  -4.183  1.00 34.80 ? 434 HIS   A C   1 
ATOM   1609 O O   . HIS   A 1 227 ? -19.052 -6.668  -4.309  1.00 32.29 ? 434 HIS   A O   1 
ATOM   1610 C CB  . HIS   A 1 227 ? -17.295 -4.776  -2.035  1.00 35.44 ? 434 HIS   A CB  1 
ATOM   1611 C CG  . HIS   A 1 227 ? -18.678 -4.578  -1.537  1.00 40.20 ? 434 HIS   A CG  1 
ATOM   1612 N ND1 . HIS   A 1 227 ? -19.252 -5.469  -0.646  1.00 43.81 ? 434 HIS   A ND1 1 
ATOM   1613 C CD2 . HIS   A 1 227 ? -19.630 -3.684  -1.858  1.00 44.41 ? 434 HIS   A CD2 1 
ATOM   1614 C CE1 . HIS   A 1 227 ? -20.496 -5.096  -0.398  1.00 49.64 ? 434 HIS   A CE1 1 
ATOM   1615 N NE2 . HIS   A 1 227 ? -20.746 -3.995  -1.118  1.00 47.50 ? 434 HIS   A NE2 1 
ATOM   1616 N N   . PHE   A 1 228 ? -17.565 -5.148  -5.164  1.00 29.04 ? 435 PHE   A N   1 
ATOM   1617 C CA  . PHE   A 1 228 ? -18.280 -4.982  -6.448  1.00 29.83 ? 435 PHE   A CA  1 
ATOM   1618 C C   . PHE   A 1 228 ? -18.198 -6.258  -7.282  1.00 34.44 ? 435 PHE   A C   1 
ATOM   1619 O O   . PHE   A 1 228 ? -19.163 -6.500  -8.058  1.00 31.34 ? 435 PHE   A O   1 
ATOM   1620 C CB  . PHE   A 1 228 ? -17.825 -3.712  -7.169  1.00 27.86 ? 435 PHE   A CB  1 
ATOM   1621 C CG  . PHE   A 1 228 ? -18.422 -2.520  -6.473  1.00 28.80 ? 435 PHE   A CG  1 
ATOM   1622 C CD1 . PHE   A 1 228 ? -19.728 -2.158  -6.724  1.00 29.50 ? 435 PHE   A CD1 1 
ATOM   1623 C CD2 . PHE   A 1 228 ? -17.736 -1.845  -5.476  1.00 29.62 ? 435 PHE   A CD2 1 
ATOM   1624 C CE1 . PHE   A 1 228 ? -20.303 -1.094  -6.053  1.00 30.23 ? 435 PHE   A CE1 1 
ATOM   1625 C CE2 . PHE   A 1 228 ? -18.322 -0.799  -4.786  1.00 29.75 ? 435 PHE   A CE2 1 
ATOM   1626 C CZ  . PHE   A 1 228 ? -19.608 -0.427  -5.082  1.00 31.89 ? 435 PHE   A CZ  1 
ATOM   1627 N N   . TYR   A 1 229 ? -17.128 -7.041  -7.165  1.00 29.73 ? 436 TYR   A N   1 
ATOM   1628 C CA  . TYR   A 1 229 ? -17.052 -8.346  -7.873  1.00 35.07 ? 436 TYR   A CA  1 
ATOM   1629 C C   . TYR   A 1 229 ? -18.164 -9.278  -7.358  1.00 33.73 ? 436 TYR   A C   1 
ATOM   1630 O O   . TYR   A 1 229 ? -18.797 -9.953  -8.219  1.00 38.40 ? 436 TYR   A O   1 
ATOM   1631 C CB  . TYR   A 1 229 ? -15.675 -9.004  -7.774  1.00 35.78 ? 436 TYR   A CB  1 
ATOM   1632 C CG  . TYR   A 1 229 ? -15.483 -10.091 -8.802  1.00 40.85 ? 436 TYR   A CG  1 
ATOM   1633 C CD1 . TYR   A 1 229 ? -15.068 -9.785  -10.093 1.00 43.97 ? 436 TYR   A CD1 1 
ATOM   1634 C CD2 . TYR   A 1 229 ? -15.772 -11.417 -8.510  1.00 42.51 ? 436 TYR   A CD2 1 
ATOM   1635 C CE1 . TYR   A 1 229 ? -14.907 -10.768 -11.056 1.00 50.79 ? 436 TYR   A CE1 1 
ATOM   1636 C CE2 . TYR   A 1 229 ? -15.625 -12.411 -9.465  1.00 46.69 ? 436 TYR   A CE2 1 
ATOM   1637 C CZ  . TYR   A 1 229 ? -15.186 -12.086 -10.737 1.00 48.65 ? 436 TYR   A CZ  1 
ATOM   1638 O OH  . TYR   A 1 229 ? -15.016 -13.053 -11.678 1.00 56.63 ? 436 TYR   A OH  1 
ATOM   1639 N N   . ASN   A 1 230 ? -18.383 -9.296  -6.042  1.00 33.06 ? 437 ASN   A N   1 
ATOM   1640 C CA  . ASN   A 1 230 ? -19.412 -10.097 -5.334  1.00 36.57 ? 437 ASN   A CA  1 
ATOM   1641 C C   . ASN   A 1 230 ? -20.797 -9.656  -5.827  1.00 42.58 ? 437 ASN   A C   1 
ATOM   1642 O O   . ASN   A 1 230 ? -21.663 -10.505 -6.056  1.00 35.80 ? 437 ASN   A O   1 
ATOM   1643 C CB  . ASN   A 1 230 ? -19.268 -9.968  -3.815  1.00 37.79 ? 437 ASN   A CB  1 
ATOM   1644 C CG  . ASN   A 1 230 ? -18.090 -10.743 -3.245  1.00 41.38 ? 437 ASN   A CG  1 
ATOM   1645 O OD1 . ASN   A 1 230 ? -17.525 -11.601 -3.921  1.00 43.36 ? 437 ASN   A OD1 1 
ATOM   1646 N ND2 . ASN   A 1 230 ? -17.671 -10.410 -2.032  1.00 36.08 ? 437 ASN   A ND2 1 
ATOM   1647 N N   . ILE   A 1 231 ? -20.993 -8.352  -5.996  1.00 37.42 ? 438 ILE   A N   1 
ATOM   1648 C CA  . ILE   A 1 231 ? -22.274 -7.794  -6.480  1.00 35.24 ? 438 ILE   A CA  1 
ATOM   1649 C C   . ILE   A 1 231 ? -22.500 -8.270  -7.917  1.00 41.00 ? 438 ILE   A C   1 
ATOM   1650 O O   . ILE   A 1 231 ? -23.642 -8.679  -8.190  1.00 43.59 ? 438 ILE   A O   1 
ATOM   1651 C CB  . ILE   A 1 231 ? -22.313 -6.265  -6.281  1.00 33.66 ? 438 ILE   A CB  1 
ATOM   1652 C CG1 . ILE   A 1 231 ? -22.405 -5.971  -4.784  1.00 36.24 ? 438 ILE   A CG1 1 
ATOM   1653 C CG2 . ILE   A 1 231 ? -23.468 -5.655  -7.068  1.00 37.96 ? 438 ILE   A CG2 1 
ATOM   1654 C CD1 . ILE   A 1 231 ? -22.073 -4.559  -4.382  1.00 39.88 ? 438 ILE   A CD1 1 
ATOM   1655 N N   . LYS   A 1 232 ? -21.472 -8.256  -8.779  1.00 34.04 ? 439 LYS   A N   1 
ATOM   1656 C CA  . LYS   A 1 232 ? -21.525 -8.706  -10.190 1.00 39.86 ? 439 LYS   A CA  1 
ATOM   1657 C C   . LYS   A 1 232 ? -21.978 -10.174 -10.253 1.00 44.61 ? 439 LYS   A C   1 
ATOM   1658 O O   . LYS   A 1 232 ? -22.907 -10.468 -11.027 1.00 44.82 ? 439 LYS   A O   1 
ATOM   1659 C CB  . LYS   A 1 232 ? -20.166 -8.461  -10.848 1.00 42.83 ? 439 LYS   A CB  1 
ATOM   1660 C CG  . LYS   A 1 232 ? -19.998 -8.911  -12.288 1.00 49.48 ? 439 LYS   A CG  1 
ATOM   1661 C CD  . LYS   A 1 232 ? -19.154 -10.153 -12.415 1.00 60.34 ? 439 LYS   A CD  1 
ATOM   1662 C CE  . LYS   A 1 232 ? -18.948 -10.568 -13.853 1.00 65.03 ? 439 LYS   A CE  1 
ATOM   1663 N NZ  . LYS   A 1 232 ? -17.680 -11.315 -14.017 1.00 72.31 ? 439 LYS   A NZ  1 
ATOM   1664 N N   . LEU   A 1 233 ? -21.374 -11.047 -9.446  1.00 47.02 ? 440 LEU   A N   1 
ATOM   1665 C CA  . LEU   A 1 233 ? -21.706 -12.503 -9.374  1.00 48.23 ? 440 LEU   A CA  1 
ATOM   1666 C C   . LEU   A 1 233 ? -23.137 -12.710 -8.862  1.00 52.81 ? 440 LEU   A C   1 
ATOM   1667 O O   . LEU   A 1 233 ? -23.788 -13.624 -9.374  1.00 52.20 ? 440 LEU   A O   1 
ATOM   1668 C CB  . LEU   A 1 233 ? -20.726 -13.230 -8.449  1.00 48.49 ? 440 LEU   A CB  1 
ATOM   1669 C CG  . LEU   A 1 233 ? -19.270 -13.290 -8.911  1.00 49.63 ? 440 LEU   A CG  1 
ATOM   1670 C CD1 . LEU   A 1 233 ? -18.444 -14.053 -7.891  1.00 52.18 ? 440 LEU   A CD1 1 
ATOM   1671 C CD2 . LEU   A 1 233 ? -19.138 -13.904 -10.304 1.00 53.32 ? 440 LEU   A CD2 1 
ATOM   1672 N N   . GLU   A 1 234 ? -23.585 -11.921 -7.874  1.00 53.49 ? 441 GLU   A N   1 
ATOM   1673 C CA  . GLU   A 1 234 ? -24.918 -12.046 -7.225  1.00 50.65 ? 441 GLU   A CA  1 
ATOM   1674 C C   . GLU   A 1 234 ? -26.023 -11.692 -8.238  1.00 56.07 ? 441 GLU   A C   1 
ATOM   1675 O O   . GLU   A 1 234 ? -27.187 -12.018 -7.955  1.00 57.15 ? 441 GLU   A O   1 
ATOM   1676 C CB  . GLU   A 1 234 ? -24.959 -11.178 -5.972  1.00 57.65 ? 441 GLU   A CB  1 
ATOM   1677 C CG  . GLU   A 1 234 ? -26.082 -11.509 -5.013  1.00 63.21 ? 441 GLU   A CG  1 
ATOM   1678 C CD  . GLU   A 1 234 ? -26.582 -10.322 -4.201  1.00 73.33 ? 441 GLU   A CD  1 
ATOM   1679 O OE1 . GLU   A 1 234 ? -26.531 -9.186  -4.724  1.00 79.46 ? 441 GLU   A OE1 1 
ATOM   1680 O OE2 . GLU   A 1 234 ? -27.030 -10.532 -3.049  1.00 72.04 ? 441 GLU   A OE2 1 
ATOM   1681 N N   . GLY   A 1 235 ? -25.675 -11.021 -9.346  1.00 53.13 ? 442 GLY   A N   1 
ATOM   1682 C CA  . GLY   A 1 235 ? -26.454 -10.935 -10.598 1.00 49.43 ? 442 GLY   A CA  1 
ATOM   1683 C C   . GLY   A 1 235 ? -27.625 -9.950  -10.559 1.00 45.12 ? 442 GLY   A C   1 
ATOM   1684 O O   . GLY   A 1 235 ? -28.277 -9.826  -11.596 1.00 47.75 ? 442 GLY   A O   1 
ATOM   1685 N N   . LYS   A 1 236 ? -27.884 -9.264  -9.440  1.00 43.69 ? 443 LYS   A N   1 
ATOM   1686 C CA  . LYS   A 1 236 ? -29.078 -8.393  -9.232  1.00 44.73 ? 443 LYS   A CA  1 
ATOM   1687 C C   . LYS   A 1 236 ? -28.867 -6.931  -9.668  1.00 46.46 ? 443 LYS   A C   1 
ATOM   1688 O O   . LYS   A 1 236 ? -29.873 -6.199  -9.778  1.00 44.12 ? 443 LYS   A O   1 
ATOM   1689 C CB  . LYS   A 1 236 ? -29.448 -8.395  -7.747  1.00 52.00 ? 443 LYS   A CB  1 
ATOM   1690 C CG  . LYS   A 1 236 ? -29.904 -9.740  -7.205  1.00 59.30 ? 443 LYS   A CG  1 
ATOM   1691 C CD  . LYS   A 1 236 ? -30.247 -9.683  -5.737  1.00 60.46 ? 443 LYS   A CD  1 
ATOM   1692 C CE  . LYS   A 1 236 ? -30.334 -11.053 -5.106  1.00 69.38 ? 443 LYS   A CE  1 
ATOM   1693 N NZ  . LYS   A 1 236 ? -30.171 -10.964 -3.635  1.00 71.09 ? 443 LYS   A NZ  1 
ATOM   1694 N N   . VAL   A 1 237 ? -27.625 -6.464  -9.816  1.00 43.01 ? 444 VAL   A N   1 
ATOM   1695 C CA  . VAL   A 1 237 ? -27.334 -5.042  -10.148 1.00 37.61 ? 444 VAL   A CA  1 
ATOM   1696 C C   . VAL   A 1 237 ? -26.839 -4.988  -11.586 1.00 37.84 ? 444 VAL   A C   1 
ATOM   1697 O O   . VAL   A 1 237 ? -25.826 -5.604  -11.910 1.00 41.88 ? 444 VAL   A O   1 
ATOM   1698 C CB  . VAL   A 1 237 ? -26.336 -4.442  -9.141  1.00 35.60 ? 444 VAL   A CB  1 
ATOM   1699 C CG1 . VAL   A 1 237 ? -25.916 -3.025  -9.524  1.00 37.28 ? 444 VAL   A CG1 1 
ATOM   1700 C CG2 . VAL   A 1 237 ? -26.896 -4.465  -7.732  1.00 37.92 ? 444 VAL   A CG2 1 
ATOM   1701 N N   . PRO   A 1 238 ? -27.531 -4.273  -12.514 1.00 39.32 ? 445 PRO   A N   1 
ATOM   1702 C CA  . PRO   A 1 238 ? -27.051 -4.162  -13.887 1.00 41.78 ? 445 PRO   A CA  1 
ATOM   1703 C C   . PRO   A 1 238 ? -25.793 -3.286  -13.888 1.00 39.76 ? 445 PRO   A C   1 
ATOM   1704 O O   . PRO   A 1 238 ? -25.718 -2.397  -13.087 1.00 35.20 ? 445 PRO   A O   1 
ATOM   1705 C CB  . PRO   A 1 238 ? -28.202 -3.487  -14.645 1.00 44.01 ? 445 PRO   A CB  1 
ATOM   1706 C CG  . PRO   A 1 238 ? -28.891 -2.681  -13.560 1.00 45.72 ? 445 PRO   A CG  1 
ATOM   1707 C CD  . PRO   A 1 238 ? -28.769 -3.509  -12.299 1.00 41.16 ? 445 PRO   A CD  1 
ATOM   1708 N N   . MET   A 1 239 ? -24.856 -3.571  -14.784 1.00 38.46 ? 446 MET   A N   1 
ATOM   1709 C CA  . MET   A 1 239 ? -23.557 -2.866  -14.856 1.00 38.97 ? 446 MET   A CA  1 
ATOM   1710 C C   . MET   A 1 239 ? -23.194 -2.676  -16.325 1.00 40.35 ? 446 MET   A C   1 
ATOM   1711 O O   . MET   A 1 239 ? -23.558 -3.517  -17.145 1.00 46.17 ? 446 MET   A O   1 
ATOM   1712 C CB  . MET   A 1 239 ? -22.482 -3.697  -14.147 1.00 39.44 ? 446 MET   A CB  1 
ATOM   1713 C CG  . MET   A 1 239 ? -22.787 -3.977  -12.688 1.00 37.39 ? 446 MET   A CG  1 
ATOM   1714 S SD  . MET   A 1 239 ? -21.438 -4.952  -11.965 1.00 38.83 ? 446 MET   A SD  1 
ATOM   1715 C CE  . MET   A 1 239 ? -21.881 -4.864  -10.241 1.00 33.12 ? 446 MET   A CE  1 
ATOM   1716 N N   . HIS   A 1 240 ? -22.523 -1.585  -16.652 1.00 38.72 ? 447 HIS   A N   1 
ATOM   1717 C CA  . HIS   A 1 240 ? -22.201 -1.215  -18.048 1.00 40.43 ? 447 HIS   A CA  1 
ATOM   1718 C C   . HIS   A 1 240 ? -20.953 -1.981  -18.474 1.00 40.05 ? 447 HIS   A C   1 
ATOM   1719 O O   . HIS   A 1 240 ? -20.303 -2.601  -17.596 1.00 38.44 ? 447 HIS   A O   1 
ATOM   1720 C CB  . HIS   A 1 240 ? -22.157 0.309   -18.152 1.00 42.09 ? 447 HIS   A CB  1 
ATOM   1721 C CG  . HIS   A 1 240 ? -23.519 0.925   -18.097 1.00 49.67 ? 447 HIS   A CG  1 
ATOM   1722 N ND1 . HIS   A 1 240 ? -24.352 0.976   -19.207 1.00 54.56 ? 447 HIS   A ND1 1 
ATOM   1723 C CD2 . HIS   A 1 240 ? -24.206 1.489   -17.078 1.00 47.94 ? 447 HIS   A CD2 1 
ATOM   1724 C CE1 . HIS   A 1 240 ? -25.484 1.572   -18.873 1.00 52.91 ? 447 HIS   A CE1 1 
ATOM   1725 N NE2 . HIS   A 1 240 ? -25.421 1.880   -17.571 1.00 50.74 ? 447 HIS   A NE2 1 
ATOM   1726 N N   . LYS   A 1 241 ? -20.673 -1.978  -19.775 1.00 39.30 ? 448 LYS   A N   1 
ATOM   1727 C CA  . LYS   A 1 241 ? -19.635 -2.827  -20.396 1.00 39.71 ? 448 LYS   A CA  1 
ATOM   1728 C C   . LYS   A 1 241 ? -18.263 -2.454  -19.805 1.00 39.45 ? 448 LYS   A C   1 
ATOM   1729 O O   . LYS   A 1 241 ? -17.538 -3.383  -19.408 1.00 36.91 ? 448 LYS   A O   1 
ATOM   1730 C CB  . LYS   A 1 241 ? -19.670 -2.693  -21.920 1.00 48.66 ? 448 LYS   A CB  1 
ATOM   1731 C CG  . LYS   A 1 241 ? -19.026 -3.858  -22.650 1.00 54.21 ? 448 LYS   A CG  1 
ATOM   1732 C CD  . LYS   A 1 241 ? -18.876 -3.642  -24.125 1.00 66.54 ? 448 LYS   A CD  1 
ATOM   1733 C CE  . LYS   A 1 241 ? -18.488 -4.921  -24.838 1.00 73.18 ? 448 LYS   A CE  1 
ATOM   1734 N NZ  . LYS   A 1 241 ? -17.748 -4.638  -26.091 1.00 80.23 ? 448 LYS   A NZ  1 
ATOM   1735 N N   . LEU   A 1 242 ? -17.951 -1.159  -19.711 1.00 34.45 ? 449 LEU   A N   1 
ATOM   1736 C CA  . LEU   A 1 242 ? -16.584 -0.697  -19.335 1.00 36.34 ? 449 LEU   A CA  1 
ATOM   1737 C C   . LEU   A 1 242 ? -16.321 -1.069  -17.880 1.00 35.33 ? 449 LEU   A C   1 
ATOM   1738 O O   . LEU   A 1 242 ? -15.254 -1.631  -17.618 1.00 38.86 ? 449 LEU   A O   1 
ATOM   1739 C CB  . LEU   A 1 242 ? -16.392 0.805   -19.546 1.00 38.26 ? 449 LEU   A CB  1 
ATOM   1740 C CG  . LEU   A 1 242 ? -14.978 1.284   -19.211 1.00 38.06 ? 449 LEU   A CG  1 
ATOM   1741 C CD1 . LEU   A 1 242 ? -13.941 0.586   -20.085 1.00 41.11 ? 449 LEU   A CD1 1 
ATOM   1742 C CD2 . LEU   A 1 242 ? -14.863 2.785   -19.334 1.00 37.81 ? 449 LEU   A CD2 1 
ATOM   1743 N N   . PHE   A 1 243 ? -17.275 -0.821  -16.982 1.00 35.22 ? 450 PHE   A N   1 
ATOM   1744 C CA  . PHE   A 1 243 ? -17.171 -1.183  -15.547 1.00 34.26 ? 450 PHE   A CA  1 
ATOM   1745 C C   . PHE   A 1 243 ? -16.944 -2.688  -15.420 1.00 38.58 ? 450 PHE   A C   1 
ATOM   1746 O O   . PHE   A 1 243 ? -16.011 -3.081  -14.685 1.00 34.31 ? 450 PHE   A O   1 
ATOM   1747 C CB  . PHE   A 1 243 ? -18.388 -0.705  -14.758 1.00 32.23 ? 450 PHE   A CB  1 
ATOM   1748 C CG  . PHE   A 1 243 ? -18.313 -0.927  -13.270 1.00 29.38 ? 450 PHE   A CG  1 
ATOM   1749 C CD1 . PHE   A 1 243 ? -17.510 -0.136  -12.468 1.00 30.87 ? 450 PHE   A CD1 1 
ATOM   1750 C CD2 . PHE   A 1 243 ? -19.095 -1.890  -12.657 1.00 31.13 ? 450 PHE   A CD2 1 
ATOM   1751 C CE1 . PHE   A 1 243 ? -17.455 -0.339  -11.095 1.00 28.44 ? 450 PHE   A CE1 1 
ATOM   1752 C CE2 . PHE   A 1 243 ? -19.079 -2.063  -11.279 1.00 33.62 ? 450 PHE   A CE2 1 
ATOM   1753 C CZ  . PHE   A 1 243 ? -18.268 -1.273  -10.493 1.00 31.42 ? 450 PHE   A CZ  1 
ATOM   1754 N N   . LEU   A 1 244 ? -17.729 -3.507  -16.124 1.00 36.74 ? 451 LEU   A N   1 
ATOM   1755 C CA  . LEU   A 1 244 ? -17.617 -4.987  -16.028 1.00 38.64 ? 451 LEU   A CA  1 
ATOM   1756 C C   . LEU   A 1 244 ? -16.245 -5.445  -16.541 1.00 35.54 ? 451 LEU   A C   1 
ATOM   1757 O O   . LEU   A 1 244 ? -15.709 -6.345  -15.941 1.00 34.84 ? 451 LEU   A O   1 
ATOM   1758 C CB  . LEU   A 1 244 ? -18.748 -5.649  -16.820 1.00 40.92 ? 451 LEU   A CB  1 
ATOM   1759 C CG  . LEU   A 1 244 ? -20.105 -5.602  -16.130 1.00 41.67 ? 451 LEU   A CG  1 
ATOM   1760 C CD1 . LEU   A 1 244 ? -21.221 -5.995  -17.092 1.00 43.90 ? 451 LEU   A CD1 1 
ATOM   1761 C CD2 . LEU   A 1 244 ? -20.096 -6.486  -14.905 1.00 41.53 ? 451 LEU   A CD2 1 
ATOM   1762 N N   . GLU   A 1 245 ? -15.721 -4.833  -17.599 1.00 35.67 ? 452 GLU   A N   1 
ATOM   1763 C CA  . GLU   A 1 245 ? -14.410 -5.171  -18.208 1.00 39.87 ? 452 GLU   A CA  1 
ATOM   1764 C C   . GLU   A 1 245 ? -13.279 -4.844  -17.217 1.00 38.77 ? 452 GLU   A C   1 
ATOM   1765 O O   . GLU   A 1 245 ? -12.390 -5.703  -16.981 1.00 35.72 ? 452 GLU   A O   1 
ATOM   1766 C CB  . GLU   A 1 245 ? -14.278 -4.371  -19.501 1.00 44.34 ? 452 GLU   A CB  1 
ATOM   1767 C CG  . GLU   A 1 245 ? -12.983 -4.616  -20.236 1.00 54.27 ? 452 GLU   A CG  1 
ATOM   1768 C CD  . GLU   A 1 245 ? -12.905 -3.902  -21.578 1.00 60.89 ? 452 GLU   A CD  1 
ATOM   1769 O OE1 . GLU   A 1 245 ? -13.831 -4.086  -22.406 1.00 56.33 ? 452 GLU   A OE1 1 
ATOM   1770 O OE2 . GLU   A 1 245 ? -11.920 -3.159  -21.792 1.00 63.67 ? 452 GLU   A OE2 1 
ATOM   1771 N N   . MET   A 1 246 ? -13.331 -3.661  -16.609 1.00 33.94 ? 453 MET   A N   1 
ATOM   1772 C CA  . MET   A 1 246 ? -12.348 -3.281  -15.550 1.00 37.55 ? 453 MET   A CA  1 
ATOM   1773 C C   . MET   A 1 246 ? -12.481 -4.213  -14.343 1.00 34.37 ? 453 MET   A C   1 
ATOM   1774 O O   . MET   A 1 246 ? -11.429 -4.642  -13.774 1.00 31.70 ? 453 MET   A O   1 
ATOM   1775 C CB  . MET   A 1 246 ? -12.513 -1.813  -15.140 1.00 36.92 ? 453 MET   A CB  1 
ATOM   1776 C CG  . MET   A 1 246 ? -12.422 -0.870  -16.330 1.00 40.51 ? 453 MET   A CG  1 
ATOM   1777 S SD  . MET   A 1 246 ? -10.865 -1.118  -17.241 1.00 42.36 ? 453 MET   A SD  1 
ATOM   1778 C CE  . MET   A 1 246 ? -9.800  0.084   -16.449 1.00 38.97 ? 453 MET   A CE  1 
ATOM   1779 N N   . LEU   A 1 247 ? -13.693 -4.591  -13.950 1.00 32.83 ? 454 LEU   A N   1 
ATOM   1780 C CA  . LEU   A 1 247 ? -13.873 -5.576  -12.856 1.00 36.24 ? 454 LEU   A CA  1 
ATOM   1781 C C   . LEU   A 1 247 ? -13.315 -6.942  -13.278 1.00 39.51 ? 454 LEU   A C   1 
ATOM   1782 O O   . LEU   A 1 247 ? -12.714 -7.586  -12.422 1.00 37.49 ? 454 LEU   A O   1 
ATOM   1783 C CB  . LEU   A 1 247 ? -15.353 -5.729  -12.511 1.00 38.05 ? 454 LEU   A CB  1 
ATOM   1784 C CG  . LEU   A 1 247 ? -15.892 -4.933  -11.337 1.00 39.20 ? 454 LEU   A CG  1 
ATOM   1785 C CD1 . LEU   A 1 247 ? -17.341 -5.326  -11.106 1.00 36.01 ? 454 LEU   A CD1 1 
ATOM   1786 C CD2 . LEU   A 1 247 ? -15.087 -5.145  -10.067 1.00 37.84 ? 454 LEU   A CD2 1 
ATOM   1787 N N   . GLU   A 1 248 ? -13.525 -7.382  -14.527 1.00 44.29 ? 455 GLU   A N   1 
ATOM   1788 C CA  . GLU   A 1 248 ? -13.053 -8.717  -15.009 1.00 48.46 ? 455 GLU   A CA  1 
ATOM   1789 C C   . GLU   A 1 248 ? -11.521 -8.749  -14.976 1.00 48.74 ? 455 GLU   A C   1 
ATOM   1790 O O   . GLU   A 1 248 ? -10.969 -9.833  -14.753 1.00 56.25 ? 455 GLU   A O   1 
ATOM   1791 C CB  . GLU   A 1 248 ? -13.401 -9.098  -16.459 1.00 54.89 ? 455 GLU   A CB  1 
ATOM   1792 C CG  . GLU   A 1 248 ? -14.807 -8.801  -16.952 1.00 66.82 ? 455 GLU   A CG  1 
ATOM   1793 C CD  . GLU   A 1 248 ? -15.982 -9.421  -16.214 1.00 70.88 ? 455 GLU   A CD  1 
ATOM   1794 O OE1 . GLU   A 1 248 ? -15.834 -9.739  -15.016 1.00 66.81 ? 455 GLU   A OE1 1 
ATOM   1795 O OE2 . GLU   A 1 248 ? -17.060 -9.552  -16.847 1.00 66.53 ? 455 GLU   A OE2 1 
ATOM   1796 N N   . ALA   A 1 249 ? -10.849 -7.616  -15.179 1.00 44.06 ? 456 ALA   A N   1 
ATOM   1797 C CA  . ALA   A 1 249 ? -9.381  -7.578  -15.373 1.00 45.89 ? 456 ALA   A CA  1 
ATOM   1798 C C   . ALA   A 1 249 ? -8.629  -7.823  -14.051 1.00 53.36 ? 456 ALA   A C   1 
ATOM   1799 O O   . ALA   A 1 249 ? -7.398  -7.983  -14.109 1.00 58.68 ? 456 ALA   A O   1 
ATOM   1800 C CB  . ALA   A 1 249 ? -8.968  -6.293  -16.042 1.00 42.16 ? 456 ALA   A CB  1 
ATOM   1801 N N   . LYS   A 1 250 ? -9.324  -7.891  -12.913 1.00 55.60 ? 457 LYS   A N   1 
ATOM   1802 C CA  . LYS   A 1 250 ? -8.706  -7.986  -11.564 1.00 57.32 ? 457 LYS   A CA  1 
ATOM   1803 C C   . LYS   A 1 250 ? -8.608  -9.453  -11.129 1.00 61.66 ? 457 LYS   A C   1 
ATOM   1804 O O   . LYS   A 1 250 ? -9.598  -10.166 -11.258 1.00 60.73 ? 457 LYS   A O   1 
ATOM   1805 C CB  . LYS   A 1 250 ? -9.552  -7.154  -10.602 1.00 59.57 ? 457 LYS   A CB  1 
ATOM   1806 C CG  . LYS   A 1 250 ? -9.472  -5.652  -10.853 1.00 53.49 ? 457 LYS   A CG  1 
ATOM   1807 C CD  . LYS   A 1 250 ? -8.103  -5.126  -10.556 1.00 51.05 ? 457 LYS   A CD  1 
ATOM   1808 C CE  . LYS   A 1 250 ? -8.113  -3.827  -9.787  1.00 43.01 ? 457 LYS   A CE  1 
ATOM   1809 N NZ  . LYS   A 1 250 ? -6.812  -3.641  -9.110  1.00 48.33 ? 457 LYS   A NZ  1 
ATOM   1810 N N   . ASN   B 2 2   ? -13.036 -7.760  -28.700 1.00 66.69 ? 377 ASN   C N   1 
ATOM   1811 C CA  . ASN   B 2 2   ? -11.884 -6.899  -28.287 1.00 69.21 ? 377 ASN   C CA  1 
ATOM   1812 C C   . ASN   B 2 2   ? -12.367 -5.819  -27.296 1.00 65.87 ? 377 ASN   C C   1 
ATOM   1813 O O   . ASN   B 2 2   ? -13.576 -5.530  -27.264 1.00 58.30 ? 377 ASN   C O   1 
ATOM   1814 C CB  . ASN   B 2 2   ? -11.183 -6.305  -29.511 1.00 71.46 ? 377 ASN   C CB  1 
ATOM   1815 C CG  . ASN   B 2 2   ? -9.789  -5.787  -29.215 1.00 71.74 ? 377 ASN   C CG  1 
ATOM   1816 O OD1 . ASN   B 2 2   ? -9.438  -4.692  -29.643 1.00 74.39 ? 377 ASN   C OD1 1 
ATOM   1817 N ND2 . ASN   B 2 2   ? -8.990  -6.548  -28.479 1.00 67.33 ? 377 ASN   C ND2 1 
ATOM   1818 N N   . SER   B 2 3   ? -11.450 -5.222  -26.526 1.00 55.65 ? 378 SER   C N   1 
ATOM   1819 C CA  . SER   B 2 3   ? -11.755 -4.443  -25.294 1.00 53.03 ? 378 SER   C CA  1 
ATOM   1820 C C   . SER   B 2 3   ? -12.194 -2.998  -25.614 1.00 46.36 ? 378 SER   C C   1 
ATOM   1821 O O   . SER   B 2 3   ? -11.582 -2.323  -26.457 1.00 44.95 ? 378 SER   C O   1 
ATOM   1822 C CB  . SER   B 2 3   ? -10.574 -4.512  -24.313 1.00 57.47 ? 378 SER   C CB  1 
ATOM   1823 O OG  . SER   B 2 3   ? -9.812  -3.309  -24.295 1.00 60.01 ? 378 SER   C OG  1 
ATOM   1824 N N   . LEU   B 2 4   ? -13.215 -2.511  -24.911 1.00 44.65 ? 379 LEU   C N   1 
ATOM   1825 C CA  . LEU   B 2 4   ? -13.659 -1.090  -24.954 1.00 46.02 ? 379 LEU   C CA  1 
ATOM   1826 C C   . LEU   B 2 4   ? -12.560 -0.191  -24.349 1.00 44.93 ? 379 LEU   C C   1 
ATOM   1827 O O   . LEU   B 2 4   ? -12.405 0.989   -24.774 1.00 45.42 ? 379 LEU   C O   1 
ATOM   1828 C CB  . LEU   B 2 4   ? -14.968 -0.998  -24.166 1.00 49.40 ? 379 LEU   C CB  1 
ATOM   1829 C CG  . LEU   B 2 4   ? -15.633 0.375   -24.157 1.00 48.63 ? 379 LEU   C CG  1 
ATOM   1830 C CD1 . LEU   B 2 4   ? -15.816 0.902   -25.576 1.00 54.23 ? 379 LEU   C CD1 1 
ATOM   1831 C CD2 . LEU   B 2 4   ? -16.960 0.298   -23.430 1.00 48.39 ? 379 LEU   C CD2 1 
ATOM   1832 N N   . LEU   B 2 5   ? -11.779 -0.723  -23.407 1.00 44.54 ? 380 LEU   C N   1 
ATOM   1833 C CA  . LEU   B 2 5   ? -10.635 0.031   -22.823 1.00 46.19 ? 380 LEU   C CA  1 
ATOM   1834 C C   . LEU   B 2 5   ? -9.653  0.425   -23.940 1.00 40.06 ? 380 LEU   C C   1 
ATOM   1835 O O   . LEU   B 2 5   ? -9.320  1.628   -24.063 1.00 39.00 ? 380 LEU   C O   1 
ATOM   1836 C CB  . LEU   B 2 5   ? -9.958  -0.823  -21.747 1.00 43.16 ? 380 LEU   C CB  1 
ATOM   1837 C CG  . LEU   B 2 5   ? -8.683  -0.227  -21.168 1.00 38.23 ? 380 LEU   C CG  1 
ATOM   1838 C CD1 . LEU   B 2 5   ? -8.902  1.200   -20.708 1.00 36.87 ? 380 LEU   C CD1 1 
ATOM   1839 C CD2 . LEU   B 2 5   ? -8.170  -1.094  -20.041 1.00 37.14 ? 380 LEU   C CD2 1 
ATOM   1840 N N   . LEU   B 2 6   ? -9.230  -0.556  -24.742 1.00 47.02 ? 381 LEU   C N   1 
ATOM   1841 C CA  . LEU   B 2 6   ? -8.359  -0.362  -25.934 1.00 47.09 ? 381 LEU   C CA  1 
ATOM   1842 C C   . LEU   B 2 6   ? -9.027  0.656   -26.862 1.00 43.49 ? 381 LEU   C C   1 
ATOM   1843 O O   . LEU   B 2 6   ? -8.407  1.718   -27.198 1.00 42.76 ? 381 LEU   C O   1 
ATOM   1844 C CB  . LEU   B 2 6   ? -8.163  -1.730  -26.610 1.00 52.80 ? 381 LEU   C CB  1 
ATOM   1845 C CG  . LEU   B 2 6   ? -7.116  -1.797  -27.725 1.00 51.24 ? 381 LEU   C CG  1 
ATOM   1846 C CD1 . LEU   B 2 6   ? -5.832  -1.082  -27.330 1.00 53.65 ? 381 LEU   C CD1 1 
ATOM   1847 C CD2 . LEU   B 2 6   ? -6.813  -3.235  -28.096 1.00 52.02 ? 381 LEU   C CD2 1 
ATOM   1848 N N   . HIS   B 2 7   ? -10.287 0.416   -27.206 1.00 51.33 ? 382 HIS   C N   1 
ATOM   1849 C CA  . HIS   B 2 7   ? -11.033 1.320   -28.115 1.00 48.43 ? 382 HIS   C CA  1 
ATOM   1850 C C   . HIS   B 2 7   ? -10.869 2.752   -27.606 1.00 45.64 ? 382 HIS   C C   1 
ATOM   1851 O O   . HIS   B 2 7   ? -10.407 3.618   -28.386 1.00 45.48 ? 382 HIS   C O   1 
ATOM   1852 C CB  . HIS   B 2 7   ? -12.501 0.903   -28.254 1.00 53.44 ? 382 HIS   C CB  1 
ATOM   1853 C CG  . HIS   B 2 7   ? -13.222 1.768   -29.233 1.00 59.62 ? 382 HIS   C CG  1 
ATOM   1854 N ND1 . HIS   B 2 7   ? -13.038 1.643   -30.600 1.00 65.19 ? 382 HIS   C ND1 1 
ATOM   1855 C CD2 . HIS   B 2 7   ? -14.061 2.813   -29.057 1.00 59.77 ? 382 HIS   C CD2 1 
ATOM   1856 C CE1 . HIS   B 2 7   ? -13.757 2.554   -31.223 1.00 64.81 ? 382 HIS   C CE1 1 
ATOM   1857 N NE2 . HIS   B 2 7   ? -14.391 3.284   -30.300 1.00 62.47 ? 382 HIS   C NE2 1 
ATOM   1858 N N   . LEU   B 2 8   ? -11.191 2.996   -26.332 1.00 49.37 ? 383 LEU   C N   1 
ATOM   1859 C CA  . LEU   B 2 8   ? -11.155 4.362   -25.733 1.00 43.41 ? 383 LEU   C CA  1 
ATOM   1860 C C   . LEU   B 2 8   ? -9.710  4.871   -25.644 1.00 41.10 ? 383 LEU   C C   1 
ATOM   1861 O O   . LEU   B 2 8   ? -9.500  6.070   -25.853 1.00 40.25 ? 383 LEU   C O   1 
ATOM   1862 C CB  . LEU   B 2 8   ? -11.832 4.346   -24.361 1.00 46.40 ? 383 LEU   C CB  1 
ATOM   1863 C CG  . LEU   B 2 8   ? -13.346 4.157   -24.379 1.00 49.24 ? 383 LEU   C CG  1 
ATOM   1864 C CD1 . LEU   B 2 8   ? -13.883 3.981   -22.973 1.00 50.05 ? 383 LEU   C CD1 1 
ATOM   1865 C CD2 . LEU   B 2 8   ? -14.033 5.329   -25.072 1.00 53.94 ? 383 LEU   C CD2 1 
ATOM   1866 N N   . LEU   B 2 9   ? -8.723  4.001   -25.416 1.00 44.07 ? 384 LEU   C N   1 
ATOM   1867 C CA  . LEU   B 2 9   ? -7.295  4.439   -25.445 1.00 42.52 ? 384 LEU   C CA  1 
ATOM   1868 C C   . LEU   B 2 9   ? -6.854  4.873   -26.862 1.00 43.55 ? 384 LEU   C C   1 
ATOM   1869 O O   . LEU   B 2 9   ? -6.127  5.875   -26.961 1.00 42.30 ? 384 LEU   C O   1 
ATOM   1870 C CB  . LEU   B 2 9   ? -6.415  3.327   -24.865 1.00 42.36 ? 384 LEU   C CB  1 
ATOM   1871 C CG  . LEU   B 2 9   ? -6.432  3.284   -23.338 1.00 40.15 ? 384 LEU   C CG  1 
ATOM   1872 C CD1 . LEU   B 2 9   ? -5.911  1.957   -22.821 1.00 42.60 ? 384 LEU   C CD1 1 
ATOM   1873 C CD2 . LEU   B 2 9   ? -5.644  4.446   -22.763 1.00 35.59 ? 384 LEU   C CD2 1 
ATOM   1874 N N   . LYS   B 2 10  ? -7.337  4.222   -27.924 1.00 46.76 ? 385 LYS   C N   1 
ATOM   1875 C CA  . LYS   B 2 10  ? -7.059  4.616   -29.338 1.00 52.52 ? 385 LYS   C CA  1 
ATOM   1876 C C   . LYS   B 2 10  ? -7.882  5.842   -29.772 1.00 54.77 ? 385 LYS   C C   1 
ATOM   1877 O O   . LYS   B 2 10  ? -7.362  6.598   -30.591 1.00 63.04 ? 385 LYS   C O   1 
ATOM   1878 C CB  . LYS   B 2 10  ? -7.324  3.421   -30.256 1.00 55.14 ? 385 LYS   C CB  1 
ATOM   1879 C CG  . LYS   B 2 10  ? -6.433  2.224   -29.958 1.00 50.13 ? 385 LYS   C CG  1 
ATOM   1880 C CD  . LYS   B 2 10  ? -6.896  0.951   -30.596 1.00 58.54 ? 385 LYS   C CD  1 
ATOM   1881 C CE  . LYS   B 2 10  ? -6.118  0.581   -31.838 1.00 60.38 ? 385 LYS   C CE  1 
ATOM   1882 N NZ  . LYS   B 2 10  ? -6.190  -0.879  -32.067 1.00 65.77 ? 385 LYS   C NZ  1 
ATOM   1883 N N   . SER   B 2 11  ? -9.096  6.043   -29.238 1.00 58.89 ? 386 SER   C N   1 
ATOM   1884 C CA  . SER   B 2 11  ? -10.072 7.093   -29.648 1.00 63.68 ? 386 SER   C CA  1 
ATOM   1885 C C   . SER   B 2 11  ? -9.449  8.499   -29.630 1.00 68.84 ? 386 SER   C C   1 
ATOM   1886 O O   . SER   B 2 11  ? -8.477  8.712   -28.884 1.00 69.75 ? 386 SER   C O   1 
ATOM   1887 C CB  . SER   B 2 11  ? -11.317 7.059   -28.783 1.00 66.49 ? 386 SER   C CB  1 
ATOM   1888 O OG  . SER   B 2 11  ? -12.065 5.869   -28.994 1.00 68.55 ? 386 SER   C OG  1 
ATOM   1889 N N   . GLN   B 2 12  ? -10.019 9.409   -30.434 1.00 73.91 ? 387 GLN   C N   1 
ATOM   1890 C CA  . GLN   B 2 12  ? -9.768  10.880  -30.475 1.00 79.74 ? 387 GLN   C CA  1 
ATOM   1891 C C   . GLN   B 2 12  ? -8.424  11.227  -29.825 1.00 82.22 ? 387 GLN   C C   1 
ATOM   1892 O O   . GLN   B 2 12  ? -8.182  12.392  -29.505 1.00 82.71 ? 387 GLN   C O   1 
ATOM   1893 C CB  . GLN   B 2 12  ? -10.916 11.616  -29.777 1.00 77.84 ? 387 GLN   C CB  1 
ATOM   1894 C CG  . GLN   B 2 12  ? -11.309 10.987  -28.450 1.00 78.44 ? 387 GLN   C CG  1 
ATOM   1895 C CD  . GLN   B 2 12  ? -11.962 11.967  -27.509 1.00 78.17 ? 387 GLN   C CD  1 
ATOM   1896 O OE1 . GLN   B 2 12  ? -13.070 11.748  -27.031 1.00 75.65 ? 387 GLN   C OE1 1 
ATOM   1897 N NE2 . GLN   B 2 12  ? -11.269 13.056  -27.224 1.00 78.77 ? 387 GLN   C NE2 1 
HETATM 1898 C C8  . A1EF8 C 3 .   ? -17.441 6.983   -8.382  1.00 29.13 ? 501 A1EF8 A C8  1 
HETATM 1899 O O1  . A1EF8 C 3 .   ? -15.887 1.819   -4.359  1.00 40.82 ? 501 A1EF8 A O1  1 
HETATM 1900 N N2  . A1EF8 C 3 .   ? -15.668 3.052   -4.578  1.00 36.98 ? 501 A1EF8 A N2  1 
HETATM 1901 O O2  . A1EF8 C 3 .   ? -14.825 3.774   -3.804  1.00 38.78 ? 501 A1EF8 A O2  1 
HETATM 1902 C C6  . A1EF8 C 3 .   ? -16.363 3.675   -5.565  1.00 31.45 ? 501 A1EF8 A C6  1 
HETATM 1903 C C3  . A1EF8 C 3 .   ? -15.965 4.935   -5.973  1.00 26.78 ? 501 A1EF8 A C3  1 
HETATM 1904 C C1  . A1EF8 C 3 .   ? -16.644 5.576   -6.920  1.00 26.99 ? 501 A1EF8 A C1  1 
HETATM 1905 N N1  . A1EF8 C 3 .   ? -16.457 6.801   -7.476  1.00 28.37 ? 501 A1EF8 A N1  1 
HETATM 1906 C C5  . A1EF8 C 3 .   ? -18.217 5.882   -8.397  1.00 26.96 ? 501 A1EF8 A C5  1 
HETATM 1907 C C2  . A1EF8 C 3 .   ? -17.742 5.002   -7.495  1.00 26.61 ? 501 A1EF8 A C2  1 
HETATM 1908 C C4  . A1EF8 C 3 .   ? -18.177 3.788   -7.149  1.00 28.77 ? 501 A1EF8 A C4  1 
HETATM 1909 C C7  . A1EF8 C 3 .   ? -17.519 3.076   -6.171  1.00 29.24 ? 501 A1EF8 A C7  1 
HETATM 1910 C C1  . PGR   D 4 .   ? -21.994 16.005  -16.885 1.00 52.51 ? 502 PGR   A C1  1 
HETATM 1911 C C2  . PGR   D 4 .   ? -22.705 14.686  -16.676 1.00 52.46 ? 502 PGR   A C2  1 
HETATM 1912 C C3  . PGR   D 4 .   ? -22.044 13.480  -17.323 1.00 59.21 ? 502 PGR   A C3  1 
HETATM 1913 O O1  . PGR   D 4 .   ? -22.173 16.831  -15.732 1.00 56.06 ? 502 PGR   A O1  1 
HETATM 1914 O O2  . PGR   D 4 .   ? -22.744 14.540  -15.293 1.00 44.98 ? 502 PGR   A O2  1 
HETATM 1915 C C1  . PGR   E 4 .   ? -16.493 12.498  -10.379 1.00 32.59 ? 503 PGR   A C1  1 
HETATM 1916 C C2  . PGR   E 4 .   ? -17.551 12.583  -9.337  1.00 42.59 ? 503 PGR   A C2  1 
HETATM 1917 C C3  . PGR   E 4 .   ? -17.989 14.006  -9.104  1.00 43.95 ? 503 PGR   A C3  1 
HETATM 1918 O O1  . PGR   E 4 .   ? -16.672 13.523  -11.348 1.00 45.52 ? 503 PGR   A O1  1 
HETATM 1919 O O2  . PGR   E 4 .   ? -18.571 11.717  -9.784  1.00 46.05 ? 503 PGR   A O2  1 
HETATM 1920 C C1  . PGR   F 4 .   ? -25.650 -7.564  -15.284 1.00 63.25 ? 504 PGR   A C1  1 
HETATM 1921 C C2  . PGR   F 4 .   ? -24.674 -8.509  -14.620 1.00 64.78 ? 504 PGR   A C2  1 
HETATM 1922 C C3  . PGR   F 4 .   ? -23.550 -8.897  -15.550 1.00 61.95 ? 504 PGR   A C3  1 
HETATM 1923 O O1  . PGR   F 4 .   ? -24.965 -6.531  -15.985 1.00 61.01 ? 504 PGR   A O1  1 
HETATM 1924 O O2  . PGR   F 4 .   ? -24.172 -7.883  -13.452 1.00 63.23 ? 504 PGR   A O2  1 
HETATM 1925 C C1  . PGR   G 4 .   ? 7.421   8.329   -18.928 1.00 62.47 ? 505 PGR   A C1  1 
HETATM 1926 C C2  . PGR   G 4 .   ? 7.719   7.637   -20.240 1.00 55.70 ? 505 PGR   A C2  1 
HETATM 1927 C C3  . PGR   G 4 .   ? 9.028   6.929   -20.205 1.00 55.07 ? 505 PGR   A C3  1 
HETATM 1928 O O1  . PGR   G 4 .   ? 8.050   9.605   -18.839 1.00 75.28 ? 505 PGR   A O1  1 
HETATM 1929 O O2  . PGR   G 4 .   ? 6.711   6.668   -20.505 1.00 62.34 ? 505 PGR   A O2  1 
HETATM 1930 C C1  . PGR   H 4 .   ? 3.374   4.625   -28.655 1.00 75.40 ? 506 PGR   A C1  1 
HETATM 1931 C C2  . PGR   H 4 .   ? 3.787   3.220   -29.040 1.00 82.70 ? 506 PGR   A C2  1 
HETATM 1932 C C3  . PGR   H 4 .   ? 5.064   2.774   -28.363 1.00 80.08 ? 506 PGR   A C3  1 
HETATM 1933 O O1  . PGR   H 4 .   ? 1.959   4.759   -28.726 1.00 71.36 ? 506 PGR   A O1  1 
HETATM 1934 O O2  . PGR   H 4 .   ? 2.703   2.341   -28.720 1.00 83.95 ? 506 PGR   A O2  1 
HETATM 1935 C C1  . PGR   I 4 .   ? -12.972 20.541  -6.882  1.00 71.02 ? 507 PGR   A C1  1 
HETATM 1936 C C2  . PGR   I 4 .   ? -12.394 21.899  -6.548  1.00 69.00 ? 507 PGR   A C2  1 
HETATM 1937 C C3  . PGR   I 4 .   ? -11.558 21.888  -5.302  1.00 64.11 ? 507 PGR   A C3  1 
HETATM 1938 O O1  . PGR   I 4 .   ? -14.080 20.670  -7.766  1.00 72.58 ? 507 PGR   A O1  1 
HETATM 1939 O O2  . PGR   I 4 .   ? -11.602 22.317  -7.640  1.00 73.22 ? 507 PGR   A O2  1 
HETATM 1940 O O   . HOH   J 5 .   ? 9.099   18.138  -11.691 1.00 38.30 ? 601 HOH   A O   1 
HETATM 1941 O O   . HOH   J 5 .   ? 0.873   -1.308  -12.851 1.00 40.66 ? 602 HOH   A O   1 
HETATM 1942 O O   . HOH   J 5 .   ? -14.736 18.590  0.313   1.00 39.74 ? 603 HOH   A O   1 
HETATM 1943 O O   . HOH   J 5 .   ? 1.168   -4.914  -20.470 1.00 42.25 ? 604 HOH   A O   1 
HETATM 1944 O O   . HOH   J 5 .   ? -2.098  22.124  2.988   1.00 37.40 ? 605 HOH   A O   1 
HETATM 1945 O O   . HOH   J 5 .   ? -30.318 5.327   -10.287 1.00 37.16 ? 606 HOH   A O   1 
HETATM 1946 O O   . HOH   J 5 .   ? -5.159  15.561  -12.791 1.00 28.65 ? 607 HOH   A O   1 
HETATM 1947 O O   . HOH   J 5 .   ? 3.819   3.819   0.000   0.50 46.14 ? 608 HOH   A O   1 
HETATM 1948 O O   . HOH   J 5 .   ? -31.586 12.533  -10.042 1.00 33.26 ? 609 HOH   A O   1 
HETATM 1949 O O   . HOH   J 5 .   ? 10.763  16.530  -1.283  1.00 37.15 ? 610 HOH   A O   1 
HETATM 1950 O O   . HOH   J 5 .   ? 3.279   18.188  6.604   1.00 32.94 ? 611 HOH   A O   1 
HETATM 1951 O O   . HOH   J 5 .   ? 0.668   22.451  -19.233 1.00 27.93 ? 612 HOH   A O   1 
HETATM 1952 O O   . HOH   J 5 .   ? -14.756 13.786  -13.076 1.00 46.92 ? 613 HOH   A O   1 
HETATM 1953 O O   . HOH   J 5 .   ? -22.433 -0.009  -14.570 1.00 35.31 ? 614 HOH   A O   1 
HETATM 1954 O O   . HOH   J 5 .   ? 3.103   -0.016  -12.358 1.00 45.53 ? 615 HOH   A O   1 
HETATM 1955 O O   . HOH   J 5 .   ? 5.416   0.255   -23.057 1.00 39.18 ? 616 HOH   A O   1 
HETATM 1956 O O   . HOH   J 5 .   ? -16.825 18.379  -2.647  1.00 33.93 ? 617 HOH   A O   1 
HETATM 1957 O O   . HOH   J 5 .   ? -23.447 -3.570  -1.042  1.00 36.03 ? 618 HOH   A O   1 
HETATM 1958 O O   . HOH   J 5 .   ? -10.717 10.330  -9.329  1.00 32.93 ? 619 HOH   A O   1 
HETATM 1959 O O   . HOH   J 5 .   ? 0.641   11.221  -22.169 1.00 32.47 ? 620 HOH   A O   1 
HETATM 1960 O O   . HOH   J 5 .   ? -25.230 -7.793  -10.527 1.00 40.80 ? 621 HOH   A O   1 
HETATM 1961 O O   . HOH   J 5 .   ? 9.010   19.184  1.853   1.00 31.35 ? 622 HOH   A O   1 
HETATM 1962 O O   . HOH   J 5 .   ? -1.401  2.030   -7.177  1.00 23.81 ? 623 HOH   A O   1 
HETATM 1963 O O   . HOH   J 5 .   ? 13.590  3.070   -15.829 1.00 42.79 ? 624 HOH   A O   1 
HETATM 1964 O O   . HOH   J 5 .   ? 7.043   0.291   -6.629  1.00 25.99 ? 625 HOH   A O   1 
HETATM 1965 O O   . HOH   J 5 .   ? 9.619   15.236  -13.077 1.00 33.90 ? 626 HOH   A O   1 
HETATM 1966 O O   . HOH   J 5 .   ? -14.635 8.979   -7.931  1.00 22.56 ? 627 HOH   A O   1 
HETATM 1967 O O   . HOH   J 5 .   ? 10.443  6.646   -8.430  1.00 39.85 ? 628 HOH   A O   1 
HETATM 1968 O O   . HOH   J 5 .   ? -18.323 9.697   -19.038 1.00 33.47 ? 629 HOH   A O   1 
HETATM 1969 O O   . HOH   J 5 .   ? -1.190  4.013   4.274   1.00 21.01 ? 630 HOH   A O   1 
HETATM 1970 O O   . HOH   J 5 .   ? -13.814 17.211  -17.829 1.00 46.86 ? 631 HOH   A O   1 
HETATM 1971 O O   . HOH   J 5 .   ? 1.693   9.309   6.057   1.00 25.77 ? 632 HOH   A O   1 
HETATM 1972 O O   . HOH   J 5 .   ? -22.809 9.868   8.378   1.00 41.99 ? 633 HOH   A O   1 
HETATM 1973 O O   . HOH   J 5 .   ? -1.519  2.600   -3.808  1.00 26.96 ? 634 HOH   A O   1 
HETATM 1974 O O   . HOH   J 5 .   ? -26.230 -8.178  -7.311  1.00 41.41 ? 635 HOH   A O   1 
HETATM 1975 O O   . HOH   J 5 .   ? -15.857 13.288  5.049   1.00 27.12 ? 636 HOH   A O   1 
HETATM 1976 O O   . HOH   J 5 .   ? -7.501  -0.220  -8.514  1.00 23.27 ? 637 HOH   A O   1 
HETATM 1977 O O   . HOH   J 5 .   ? 4.923   -0.497  -9.143  1.00 40.14 ? 638 HOH   A O   1 
HETATM 1978 O O   . HOH   J 5 .   ? -20.540 16.041  -8.981  1.00 28.73 ? 639 HOH   A O   1 
HETATM 1979 O O   . HOH   J 5 .   ? -9.377  10.538  -24.598 1.00 53.13 ? 640 HOH   A O   1 
HETATM 1980 O O   . HOH   J 5 .   ? -8.891  14.126  10.577  1.00 43.69 ? 641 HOH   A O   1 
HETATM 1981 O O   . HOH   J 5 .   ? -12.701 19.249  -1.136  1.00 41.47 ? 642 HOH   A O   1 
HETATM 1982 O O   . HOH   J 5 .   ? -26.972 13.450  -1.830  1.00 33.56 ? 643 HOH   A O   1 
HETATM 1983 O O   . HOH   J 5 .   ? 9.129   16.418  1.175   1.00 26.37 ? 644 HOH   A O   1 
HETATM 1984 O O   . HOH   J 5 .   ? 0.678   3.058   -5.269  1.00 26.44 ? 645 HOH   A O   1 
HETATM 1985 O O   . HOH   J 5 .   ? 1.108   -0.153  -28.890 1.00 45.52 ? 646 HOH   A O   1 
HETATM 1986 O O   . HOH   J 5 .   ? -33.371 9.755   -7.408  1.00 34.84 ? 647 HOH   A O   1 
HETATM 1987 O O   . HOH   J 5 .   ? -14.913 12.791  7.489   1.00 29.91 ? 648 HOH   A O   1 
HETATM 1988 O O   . HOH   J 5 .   ? 9.944   13.445  1.891   1.00 25.31 ? 649 HOH   A O   1 
HETATM 1989 O O   . HOH   J 5 .   ? -2.259  24.855  -13.319 1.00 41.15 ? 650 HOH   A O   1 
HETATM 1990 O O   . HOH   J 5 .   ? -31.493 4.212   -3.240  1.00 43.67 ? 651 HOH   A O   1 
HETATM 1991 O O   . HOH   J 5 .   ? -23.335 -2.372  5.223   1.00 49.37 ? 652 HOH   A O   1 
HETATM 1992 O O   . HOH   J 5 .   ? -20.654 16.904  6.765   1.00 40.38 ? 653 HOH   A O   1 
HETATM 1993 O O   . HOH   J 5 .   ? 0.590   -2.613  -27.349 1.00 44.52 ? 654 HOH   A O   1 
HETATM 1994 O O   . HOH   J 5 .   ? 9.277   22.271  -13.185 1.00 39.13 ? 655 HOH   A O   1 
HETATM 1995 O O   . HOH   J 5 .   ? 0.563   23.964  -17.230 1.00 45.28 ? 656 HOH   A O   1 
HETATM 1996 O O   . HOH   J 5 .   ? -19.051 -3.015  2.453   1.00 37.95 ? 657 HOH   A O   1 
HETATM 1997 O O   . HOH   J 5 .   ? -13.360 15.853  -7.933  1.00 47.54 ? 658 HOH   A O   1 
HETATM 1998 O O   . HOH   J 5 .   ? 0.567   14.978  -22.549 1.00 54.89 ? 659 HOH   A O   1 
HETATM 1999 O O   . HOH   J 5 .   ? 1.136   17.049  7.913   1.00 44.36 ? 660 HOH   A O   1 
HETATM 2000 O O   . HOH   J 5 .   ? -3.708  -5.595  -21.181 1.00 48.14 ? 661 HOH   A O   1 
HETATM 2001 O O   . HOH   J 5 .   ? -32.307 0.239   -10.076 1.00 43.33 ? 662 HOH   A O   1 
HETATM 2002 O O   . HOH   J 5 .   ? -20.277 21.047  4.139   1.00 54.98 ? 663 HOH   A O   1 
HETATM 2003 O O   . HOH   J 5 .   ? -19.564 8.056   -20.685 1.00 40.95 ? 664 HOH   A O   1 
# 
