data_9EMS
# 
_entry.id   9EMS 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_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   9EMS         pdb_00009ems 10.2210/pdb9ems/pdb 
WWPDB D_1292137189 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-13 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EMS 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              timm.maier@unbas.ch 
_pdbx_contact_author.name_first         Timm 
_pdbx_contact_author.name_last          Maier 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7459-1363 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Jakob, R.P.' 1 0000-0002-6451-8656 
'Cramer, J.'  2 0000-0001-9869-5645 
'Maier, T.'   3 0000-0002-7459-1363 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            67 
_citation.language                  ? 
_citation.page_first                13813 
_citation.page_last                 13828 
_citation.title                     
'Thermodynamics-Guided Design Reveals a Cooperative Hydrogen Bond in DC-SIGN-targeted Glycomimetics.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c00623 
_citation.pdbx_database_id_PubMed   38771131 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Nemli, D.D.'  1 ?                   
primary 'Jiang, X.'    2 ?                   
primary 'Jakob, R.P.'  3 ?                   
primary 'Gloder, L.M.' 4 ?                   
primary 'Schwardt, O.' 5 ?                   
primary 'Rabbani, S.'  6 ?                   
primary 'Maier, T.'    7 0000-0002-7459-1363 
primary 'Ernst, B.'    8 0000-0001-5787-2297 
primary 'Cramer, J.'   9 0000-0001-9869-5645 
# 
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 'DC-SIGN, CRD domain' 18160.051 1  ? ? ? ? 
2 non-polymer syn 'CALCIUM ION' 40.078    2  ? ? ? ? 
3 non-polymer syn 
;(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-3-azanyl-2-oxidanyl-propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
;
380.396   1  ? ? ? ? 
4 water       nat water 18.015    12 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
'C-type lectin domain family 4 member L,Dendritic cell-specific ICAM-3-grabbing non-integrin 1,DC-SIGN,DC-SIGN1,CD209 antigen' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEG
TWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEG
TWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CALCIUM ION' CA    
3 
;(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-3-azanyl-2-oxidanyl-propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
;
A1H5X 
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   HIS n 
1 4   MET n 
1 5   GLU n 
1 6   ARG n 
1 7   LEU n 
1 8   CYS n 
1 9   HIS n 
1 10  PRO n 
1 11  CYS n 
1 12  PRO n 
1 13  TRP n 
1 14  GLU n 
1 15  TRP n 
1 16  THR n 
1 17  PHE n 
1 18  PHE n 
1 19  GLN n 
1 20  GLY n 
1 21  ASN n 
1 22  CYS n 
1 23  TYR n 
1 24  PHE n 
1 25  MET n 
1 26  SER n 
1 27  ASN n 
1 28  SER n 
1 29  GLN n 
1 30  ARG n 
1 31  ASN n 
1 32  TRP n 
1 33  HIS n 
1 34  ASP n 
1 35  SER n 
1 36  ILE n 
1 37  THR n 
1 38  ALA n 
1 39  CYS n 
1 40  LYS n 
1 41  GLU n 
1 42  VAL n 
1 43  GLY n 
1 44  ALA n 
1 45  GLN n 
1 46  LEU n 
1 47  VAL n 
1 48  VAL n 
1 49  ILE n 
1 50  LYS n 
1 51  SER n 
1 52  ALA n 
1 53  GLU n 
1 54  GLU n 
1 55  GLN n 
1 56  ASN n 
1 57  PHE n 
1 58  LEU n 
1 59  GLN n 
1 60  LEU n 
1 61  GLN n 
1 62  SER n 
1 63  SER n 
1 64  ARG n 
1 65  SER n 
1 66  ASN n 
1 67  ARG n 
1 68  PHE n 
1 69  THR n 
1 70  TRP n 
1 71  MET n 
1 72  GLY n 
1 73  LEU n 
1 74  SER n 
1 75  ASP n 
1 76  LEU n 
1 77  ASN n 
1 78  GLN n 
1 79  GLU n 
1 80  GLY n 
1 81  THR n 
1 82  TRP n 
1 83  GLN n 
1 84  TRP n 
1 85  VAL n 
1 86  ASP n 
1 87  GLY n 
1 88  SER n 
1 89  PRO n 
1 90  LEU n 
1 91  LEU n 
1 92  PRO n 
1 93  SER n 
1 94  PHE n 
1 95  LYS n 
1 96  GLN n 
1 97  TYR n 
1 98  TRP n 
1 99  ASN n 
1 100 ARG n 
1 101 GLY n 
1 102 GLU n 
1 103 PRO n 
1 104 ASN n 
1 105 ASN n 
1 106 VAL n 
1 107 GLY n 
1 108 GLU n 
1 109 GLU n 
1 110 ASP n 
1 111 CYS n 
1 112 ALA n 
1 113 GLU n 
1 114 PHE n 
1 115 SER n 
1 116 GLY n 
1 117 ASN n 
1 118 GLY n 
1 119 TRP n 
1 120 ASN n 
1 121 ASP n 
1 122 ASP n 
1 123 LYS n 
1 124 CYS n 
1 125 ASN n 
1 126 LEU n 
1 127 ALA n 
1 128 LYS n 
1 129 PHE n 
1 130 TRP n 
1 131 ILE n 
1 132 CYS n 
1 133 LYS n 
1 134 LYS n 
1 135 SER n 
1 136 ALA n 
1 137 ALA n 
1 138 SER n 
1 139 CYS n 
1 140 SER n 
1 141 ARG n 
1 142 ASP n 
1 143 GLU n 
1 144 GLU n 
1 145 GLN n 
1 146 PHE n 
1 147 LEU n 
1 148 SER n 
1 149 PRO n 
1 150 ALA n 
1 151 PRO n 
1 152 ALA n 
1 153 THR n 
1 154 PRO n 
1 155 ASN n 
1 156 PRO n 
1 157 PRO n 
1 158 PRO n 
1 159 ALA n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   159 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CD209, CLEC4L' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1H5X non-polymer         . 
;(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-3-azanyl-2-oxidanyl-propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
;
? 'C17 H24 N4 O6'  380.396 
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 
CA    non-polymer         . 'CALCIUM ION' ? 'Ca 2'           40.078  
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 
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   GLY 1   246 ?   ?   ?   A . n 
A 1 2   SER 2   247 ?   ?   ?   A . n 
A 1 3   HIS 3   248 ?   ?   ?   A . n 
A 1 4   MET 4   249 ?   ?   ?   A . n 
A 1 5   GLU 5   250 ?   ?   ?   A . n 
A 1 6   ARG 6   251 ?   ?   ?   A . n 
A 1 7   LEU 7   252 ?   ?   ?   A . n 
A 1 8   CYS 8   253 253 CYS CYS A . n 
A 1 9   HIS 9   254 254 HIS HIS A . n 
A 1 10  PRO 10  255 255 PRO PRO A . n 
A 1 11  CYS 11  256 256 CYS CYS A . n 
A 1 12  PRO 12  257 257 PRO PRO A . n 
A 1 13  TRP 13  258 258 TRP TRP A . n 
A 1 14  GLU 14  259 259 GLU GLU A . n 
A 1 15  TRP 15  260 260 TRP TRP A . n 
A 1 16  THR 16  261 261 THR THR A . n 
A 1 17  PHE 17  262 262 PHE PHE A . n 
A 1 18  PHE 18  263 263 PHE PHE A . n 
A 1 19  GLN 19  264 264 GLN GLN A . n 
A 1 20  GLY 20  265 265 GLY GLY A . n 
A 1 21  ASN 21  266 266 ASN ASN A . n 
A 1 22  CYS 22  267 267 CYS CYS A . n 
A 1 23  TYR 23  268 268 TYR TYR A . n 
A 1 24  PHE 24  269 269 PHE PHE A . n 
A 1 25  MET 25  270 270 MET MET A . n 
A 1 26  SER 26  271 271 SER SER A . n 
A 1 27  ASN 27  272 272 ASN ASN A . n 
A 1 28  SER 28  273 273 SER SER A . n 
A 1 29  GLN 29  274 274 GLN GLN A . n 
A 1 30  ARG 30  275 275 ARG ARG A . n 
A 1 31  ASN 31  276 276 ASN ASN A . n 
A 1 32  TRP 32  277 277 TRP TRP A . n 
A 1 33  HIS 33  278 278 HIS HIS A . n 
A 1 34  ASP 34  279 279 ASP ASP A . n 
A 1 35  SER 35  280 280 SER SER A . n 
A 1 36  ILE 36  281 281 ILE ILE A . n 
A 1 37  THR 37  282 282 THR THR A . n 
A 1 38  ALA 38  283 283 ALA ALA A . n 
A 1 39  CYS 39  284 284 CYS CYS A . n 
A 1 40  LYS 40  285 285 LYS LYS A . n 
A 1 41  GLU 41  286 286 GLU GLU A . n 
A 1 42  VAL 42  287 287 VAL VAL A . n 
A 1 43  GLY 43  288 288 GLY GLY A . n 
A 1 44  ALA 44  289 289 ALA ALA A . n 
A 1 45  GLN 45  290 290 GLN GLN A . n 
A 1 46  LEU 46  291 291 LEU LEU A . n 
A 1 47  VAL 47  292 292 VAL VAL A . n 
A 1 48  VAL 48  293 293 VAL VAL A . n 
A 1 49  ILE 49  294 294 ILE ILE A . n 
A 1 50  LYS 50  295 295 LYS LYS A . n 
A 1 51  SER 51  296 296 SER SER A . n 
A 1 52  ALA 52  297 297 ALA ALA A . n 
A 1 53  GLU 53  298 298 GLU GLU A . n 
A 1 54  GLU 54  299 299 GLU GLU A . n 
A 1 55  GLN 55  300 300 GLN GLN A . n 
A 1 56  ASN 56  301 301 ASN ASN A . n 
A 1 57  PHE 57  302 302 PHE PHE A . n 
A 1 58  LEU 58  303 303 LEU LEU A . n 
A 1 59  GLN 59  304 304 GLN GLN A . n 
A 1 60  LEU 60  305 305 LEU LEU A . n 
A 1 61  GLN 61  306 306 GLN GLN A . n 
A 1 62  SER 62  307 307 SER SER A . n 
A 1 63  SER 63  308 308 SER SER A . n 
A 1 64  ARG 64  309 309 ARG ARG A . n 
A 1 65  SER 65  310 310 SER SER A . n 
A 1 66  ASN 66  311 311 ASN ASN A . n 
A 1 67  ARG 67  312 312 ARG ARG A . n 
A 1 68  PHE 68  313 313 PHE PHE A . n 
A 1 69  THR 69  314 314 THR THR A . n 
A 1 70  TRP 70  315 315 TRP TRP A . n 
A 1 71  MET 71  316 316 MET MET A . n 
A 1 72  GLY 72  317 317 GLY GLY A . n 
A 1 73  LEU 73  318 318 LEU LEU A . n 
A 1 74  SER 74  319 319 SER SER A . n 
A 1 75  ASP 75  320 320 ASP ASP A . n 
A 1 76  LEU 76  321 321 LEU LEU A . n 
A 1 77  ASN 77  322 322 ASN ASN A . n 
A 1 78  GLN 78  323 323 GLN GLN A . n 
A 1 79  GLU 79  324 324 GLU GLU A . n 
A 1 80  GLY 80  325 325 GLY GLY A . n 
A 1 81  THR 81  326 326 THR THR A . n 
A 1 82  TRP 82  327 327 TRP TRP A . n 
A 1 83  GLN 83  328 328 GLN GLN A . n 
A 1 84  TRP 84  329 329 TRP TRP A . n 
A 1 85  VAL 85  330 330 VAL VAL A . n 
A 1 86  ASP 86  331 331 ASP ASP A . n 
A 1 87  GLY 87  332 332 GLY GLY A . n 
A 1 88  SER 88  333 333 SER SER A . n 
A 1 89  PRO 89  334 334 PRO PRO A . n 
A 1 90  LEU 90  335 335 LEU LEU A . n 
A 1 91  LEU 91  336 336 LEU LEU A . n 
A 1 92  PRO 92  337 337 PRO PRO A . n 
A 1 93  SER 93  338 338 SER SER A . n 
A 1 94  PHE 94  339 339 PHE PHE A . n 
A 1 95  LYS 95  340 340 LYS LYS A . n 
A 1 96  GLN 96  341 341 GLN GLN A . n 
A 1 97  TYR 97  342 342 TYR TYR A . n 
A 1 98  TRP 98  343 343 TRP TRP A . n 
A 1 99  ASN 99  344 344 ASN ASN A . n 
A 1 100 ARG 100 345 345 ARG ARG A . n 
A 1 101 GLY 101 346 346 GLY GLY A . n 
A 1 102 GLU 102 347 347 GLU GLU A . n 
A 1 103 PRO 103 348 348 PRO PRO A . n 
A 1 104 ASN 104 349 349 ASN ASN A . n 
A 1 105 ASN 105 350 350 ASN ASN A . n 
A 1 106 VAL 106 351 351 VAL VAL A . n 
A 1 107 GLY 107 352 352 GLY GLY A . n 
A 1 108 GLU 108 353 353 GLU GLU A . n 
A 1 109 GLU 109 354 354 GLU GLU A . n 
A 1 110 ASP 110 355 355 ASP ASP A . n 
A 1 111 CYS 111 356 356 CYS CYS A . n 
A 1 112 ALA 112 357 357 ALA ALA A . n 
A 1 113 GLU 113 358 358 GLU GLU A . n 
A 1 114 PHE 114 359 359 PHE PHE A . n 
A 1 115 SER 115 360 360 SER SER A . n 
A 1 116 GLY 116 361 361 GLY GLY A . n 
A 1 117 ASN 117 362 362 ASN ASN A . n 
A 1 118 GLY 118 363 363 GLY GLY A . n 
A 1 119 TRP 119 364 364 TRP TRP A . n 
A 1 120 ASN 120 365 365 ASN ASN A . n 
A 1 121 ASP 121 366 366 ASP ASP A . n 
A 1 122 ASP 122 367 367 ASP ASP A . n 
A 1 123 LYS 123 368 368 LYS LYS A . n 
A 1 124 CYS 124 369 369 CYS CYS A . n 
A 1 125 ASN 125 370 370 ASN ASN A . n 
A 1 126 LEU 126 371 371 LEU LEU A . n 
A 1 127 ALA 127 372 372 ALA ALA A . n 
A 1 128 LYS 128 373 373 LYS LYS A . n 
A 1 129 PHE 129 374 374 PHE PHE A . n 
A 1 130 TRP 130 375 375 TRP TRP A . n 
A 1 131 ILE 131 376 376 ILE ILE A . n 
A 1 132 CYS 132 377 377 CYS CYS A . n 
A 1 133 LYS 133 378 378 LYS LYS A . n 
A 1 134 LYS 134 379 379 LYS LYS A . n 
A 1 135 SER 135 380 380 SER SER A . n 
A 1 136 ALA 136 381 381 ALA ALA A . n 
A 1 137 ALA 137 382 382 ALA ALA A . n 
A 1 138 SER 138 383 383 SER SER A . n 
A 1 139 CYS 139 384 384 CYS CYS A . n 
A 1 140 SER 140 385 ?   ?   ?   A . n 
A 1 141 ARG 141 386 ?   ?   ?   A . n 
A 1 142 ASP 142 387 ?   ?   ?   A . n 
A 1 143 GLU 143 388 ?   ?   ?   A . n 
A 1 144 GLU 144 389 ?   ?   ?   A . n 
A 1 145 GLN 145 390 ?   ?   ?   A . n 
A 1 146 PHE 146 391 ?   ?   ?   A . n 
A 1 147 LEU 147 392 ?   ?   ?   A . n 
A 1 148 SER 148 393 ?   ?   ?   A . n 
A 1 149 PRO 149 394 ?   ?   ?   A . n 
A 1 150 ALA 150 395 ?   ?   ?   A . n 
A 1 151 PRO 151 396 ?   ?   ?   A . n 
A 1 152 ALA 152 397 ?   ?   ?   A . n 
A 1 153 THR 153 398 ?   ?   ?   A . n 
A 1 154 PRO 154 399 ?   ?   ?   A . n 
A 1 155 ASN 155 400 ?   ?   ?   A . n 
A 1 156 PRO 156 401 ?   ?   ?   A . n 
A 1 157 PRO 157 402 ?   ?   ?   A . n 
A 1 158 PRO 158 403 ?   ?   ?   A . n 
A 1 159 ALA 159 404 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H5X 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H5X 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 CA    1  501 402 CA    CA  A . 
C 2 CA    1  502 403 CA    CA  A . 
D 3 A1H5X 1  503 405 A1H5X JXH A . 
E 4 HOH   1  601 3   HOH   HOH A . 
E 4 HOH   2  602 7   HOH   HOH A . 
E 4 HOH   3  603 10  HOH   HOH A . 
E 4 HOH   4  604 12  HOH   HOH A . 
E 4 HOH   5  605 11  HOH   HOH A . 
E 4 HOH   6  606 6   HOH   HOH A . 
E 4 HOH   7  607 2   HOH   HOH A . 
E 4 HOH   8  608 13  HOH   HOH A . 
E 4 HOH   9  609 4   HOH   HOH A . 
E 4 HOH   10 610 9   HOH   HOH A . 
E 4 HOH   11 611 14  HOH   HOH A . 
E 4 HOH   12 612 15  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       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.12rc1_2801: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                     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                     9EMS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     74.901 
_cell.length_a_esd                 ? 
_cell.length_b                     74.901 
_cell.length_b_esd                 ? 
_cell.length_c                     61.146 
_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                         9EMS 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 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                   9EMS 
_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             2.36 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.91 
_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    '0.2M MgCl2, 0.1m Hepes 7.5, 30% Isopropanol' 
_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 EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-07-07 
_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   0.99986 
_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                        'SLS BEAMLINE X06SA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.99986 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EMS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.9 
_reflns.d_resolution_low                               47.37 
_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                                     4177 
_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                           99.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                25.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.134 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.994 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.9 
_reflns_shell.d_res_low                                     3.0 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             416 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               26.7 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               1.05 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.44 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 9EMS 
_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                            2.900 
_refine.ls_d_res_low                             47.367 
_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                     4164 
_refine.ls_number_reflns_R_free                  221 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.66 
_refine.ls_percent_reflns_R_free                 5.31 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2240 
_refine.ls_R_factor_R_free                       0.2541 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2222 
_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                    'FLAT BULK SOLVENT MODEL' 
_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                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 18.87 
_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                             ? 
_refine.overall_SU_ML                            0.30 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1070 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         29 
_refine_hist.number_atoms_solvent             13 
_refine_hist.number_atoms_total               1112 
_refine_hist.d_res_high                       2.900 
_refine_hist.d_res_low                        47.367 
# 
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' ? 0.003  ? 1141 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.562  ? 1553 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 17.394 ? 651  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.036  ? 150  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.002  ? 200  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.9001 3.0000 . . 83  416  99.1   . . . . 0.3298 . . . . . . . . . . . 0.3468 
'X-RAY DIFFRACTION' 3.6537 47.367 . . 119 2023 100.00 . . . . 0.2106 . . . . . . . . . . . 0.2205 
# 
_struct.entry_id                     9EMS 
_struct.title                        'Crystal Structure of DC-SIGN in complex with JXH1902' 
_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        9EMS 
_struct_keywords.text            'DC-SIGN, glycomimetic, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
E N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CD209_HUMAN 
_struct_ref.pdbx_db_accession          Q9NNX6 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQW
VDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
;
_struct_ref.pdbx_align_begin           250 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9EMS 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 5 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 159 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9NNX6 
_struct_ref_seq.db_align_beg                  250 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  404 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       250 
_struct_ref_seq.pdbx_auth_seq_align_end       404 
# 
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 9EMS GLY A 1 ? UNP Q9NNX6 ? ? 'expression tag' 246 1 
1 9EMS SER A 2 ? UNP Q9NNX6 ? ? 'expression tag' 247 2 
1 9EMS HIS A 3 ? UNP Q9NNX6 ? ? 'expression tag' 248 3 
1 9EMS MET A 4 ? UNP Q9NNX6 ? ? 'expression tag' 249 4 
# 
_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   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 90   ? 
1 MORE         -12  ? 
1 'SSA (A^2)'  7320 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_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                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ASN A 31 ? VAL A 42 ? ASN A 276 VAL A 287 1 ? 12 
HELX_P HELX_P2 AA2 SER A 51 ? SER A 65 ? SER A 296 SER A 310 1 ? 15 
HELX_P HELX_P3 AA3 LEU A 91 ? TRP A 98 ? LEU A 336 TRP A 343 5 ? 8  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1  disulf ? ? A CYS 8   SG  ? ? ? 1_555 A CYS   139 SG ? ? A CYS 253 A CYS   384 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf2  disulf ? ? A CYS 11  SG  ? ? ? 1_555 A CYS   22  SG ? ? A CYS 256 A CYS   267 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf3  disulf ? ? A CYS 39  SG  ? ? ? 1_555 A CYS   132 SG ? ? A CYS 284 A CYS   377 1_555 ? ? ? ? ? ? ? 2.034 ? ? 
disulf4  disulf ? ? A CYS 111 SG  ? ? ? 1_555 A CYS   124 SG ? ? A CYS 356 A CYS   369 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
metalc1  metalc ? ? A ASP 75  OD2 ? ? ? 1_555 B CA    .   CA ? ? A ASP 320 A CA    501 1_555 ? ? ? ? ? ? ? 2.719 ? ? 
metalc2  metalc ? ? A GLU 79  OE2 ? ? ? 1_555 B CA    .   CA ? ? A GLU 324 A CA    501 1_555 ? ? ? ? ? ? ? 2.557 ? ? 
metalc3  metalc ? ? A GLU 102 OE1 ? ? ? 1_555 C CA    .   CA ? ? A GLU 347 A CA    502 1_555 ? ? ? ? ? ? ? 2.581 ? ? 
metalc4  metalc ? ? A ASN 104 OD1 ? ? ? 1_555 C CA    .   CA ? ? A ASN 349 A CA    502 1_555 ? ? ? ? ? ? ? 2.510 ? ? 
metalc5  metalc ? ? A ASN 105 OD1 ? ? ? 1_555 B CA    .   CA ? ? A ASN 350 A CA    501 1_555 ? ? ? ? ? ? ? 2.365 ? ? 
metalc6  metalc ? ? A GLU 109 O   ? ? ? 1_555 B CA    .   CA ? ? A GLU 354 A CA    501 1_555 ? ? ? ? ? ? ? 2.443 ? ? 
metalc7  metalc ? ? A GLU 109 OE1 ? ? ? 1_555 C CA    .   CA ? ? A GLU 354 A CA    502 1_555 ? ? ? ? ? ? ? 2.502 ? ? 
metalc8  metalc ? ? A ASN 120 OD1 ? ? ? 1_555 C CA    .   CA ? ? A ASN 365 A CA    502 1_555 ? ? ? ? ? ? ? 2.262 ? ? 
metalc9  metalc ? ? A ASP 121 O   ? ? ? 1_555 C CA    .   CA ? ? A ASP 366 A CA    502 1_555 ? ? ? ? ? ? ? 2.491 ? ? 
metalc10 metalc ? ? A ASP 121 OD1 ? ? ? 1_555 C CA    .   CA ? ? A ASP 366 A CA    502 1_555 ? ? ? ? ? ? ? 2.216 ? ? 
metalc11 metalc ? ? C CA  .   CA  ? ? ? 1_555 D A1H5X .   O5 ? ? A CA  502 A A1H5X 503 1_555 ? ? ? ? ? ? ? 2.711 ? ? 
metalc12 metalc ? ? C CA  .   CA  ? ? ? 1_555 D A1H5X .   O7 ? ? A CA  502 A A1H5X 503 1_555 ? ? ? ? ? ? ? 2.308 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? B CA . ? A CA 501 ? 1_555 OE2 ? A GLU   79  ? A GLU   324 ? 1_555 72.5  ? 
2  OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? B CA . ? A CA 501 ? 1_555 OD1 ? A ASN   105 ? A ASN   350 ? 1_555 141.4 ? 
3  OE2 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? B CA . ? A CA 501 ? 1_555 OD1 ? A ASN   105 ? A ASN   350 ? 1_555 78.0  ? 
4  OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? B CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 116.2 ? 
5  OE2 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? B CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 157.5 ? 
6  OD1 ? A ASN   105 ? A ASN   350 ? 1_555 CA ? B CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 84.2  ? 
7  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 81.1  ? 
8  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 155.3 ? 
9  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 78.9  ? 
10 OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 68.9  ? 
11 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 149.0 ? 
12 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 132.0 ? 
13 OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 126.3 ? 
14 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 139.2 ? 
15 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 65.1  ? 
16 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 69.3  ? 
17 OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 75.6  ? 
18 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 92.4  ? 
19 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 90.8  ? 
20 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 87.5  ? 
21 O   ? A ASP   121 ? A ASP   366 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 70.4  ? 
22 OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 133.7 ? 
23 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 114.8 ? 
24 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 68.8  ? 
25 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 82.8  ? 
26 O   ? A ASP   121 ? A ASP   366 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 70.4  ? 
27 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 140.6 ? 
28 OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 69.0  ? 
29 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 84.9  ? 
30 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 123.0 ? 
31 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 77.6  ? 
32 O   ? A ASP   121 ? A ASP   366 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 130.3 ? 
33 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 144.6 ? 
34 O5  ? D A1H5X .   ? A A1H5X 503 ? 1_555 CA ? C CA . ? A CA 502 ? 1_555 O7  ? D A1H5X .   ? A A1H5X 503 ? 1_555 69.6  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 8   ? CYS A 139 ? CYS A 253 ? 1_555 CYS A 384 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 11  ? CYS A 22  ? CYS A 256 ? 1_555 CYS A 267 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 39  ? CYS A 132 ? CYS A 284 ? 1_555 CYS A 377 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 111 ? CYS A 124 ? CYS A 356 ? 1_555 CYS A 369 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLU 
_struct_mon_prot_cis.label_seq_id           102 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLU 
_struct_mon_prot_cis.auth_seq_id            347 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    103 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     348 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -4.90 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? parallel      
AA1 4 5 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? parallel      
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 16  ? PHE A 18  ? THR A 261 PHE A 263 
AA1 2 ASN A 21  ? MET A 25  ? ASN A 266 MET A 270 
AA1 3 PHE A 129 ? SER A 135 ? PHE A 374 SER A 380 
AA1 4 THR A 69  ? SER A 74  ? THR A 314 SER A 319 
AA1 5 GLN A 83  ? TRP A 84  ? GLN A 328 TRP A 329 
AA2 1 GLN A 45  ? LEU A 46  ? GLN A 290 LEU A 291 
AA2 2 PHE A 129 ? SER A 135 ? PHE A 374 SER A 380 
AA2 3 THR A 69  ? SER A 74  ? THR A 314 SER A 319 
AA2 4 CYS A 111 ? SER A 115 ? CYS A 356 SER A 360 
AA2 5 GLY A 118 ? ASP A 122 ? GLY A 363 ASP A 367 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N THR A 16  ? N THR A 261 O TYR A 23  ? O TYR A 268 
AA1 2 3 N CYS A 22  ? N CYS A 267 O LYS A 134 ? O LYS A 379 
AA1 3 4 O PHE A 129 ? O PHE A 374 N TRP A 70  ? N TRP A 315 
AA1 4 5 N SER A 74  ? N SER A 319 O GLN A 83  ? O GLN A 328 
AA2 1 2 N GLN A 45  ? N GLN A 290 O LYS A 133 ? O LYS A 378 
AA2 2 3 O PHE A 129 ? O PHE A 374 N TRP A 70  ? N TRP A 315 
AA2 3 4 N THR A 69  ? N THR A 314 O PHE A 114 ? O PHE A 359 
AA2 4 5 N CYS A 111 ? N CYS A 356 O ASP A 122 ? O ASP A 367 
# 
_pdbx_entry_details.entry_id                   9EMS 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 GLN A 323 ? ? -179.69 136.41 
2 1 GLU A 353 ? ? 72.36   110.40 
# 
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 GLY 246 ? A GLY 1   
2  1 Y 1 A SER 247 ? A SER 2   
3  1 Y 1 A HIS 248 ? A HIS 3   
4  1 Y 1 A MET 249 ? A MET 4   
5  1 Y 1 A GLU 250 ? A GLU 5   
6  1 Y 1 A ARG 251 ? A ARG 6   
7  1 Y 1 A LEU 252 ? A LEU 7   
8  1 Y 1 A SER 385 ? A SER 140 
9  1 Y 1 A ARG 386 ? A ARG 141 
10 1 Y 1 A ASP 387 ? A ASP 142 
11 1 Y 1 A GLU 388 ? A GLU 143 
12 1 Y 1 A GLU 389 ? A GLU 144 
13 1 Y 1 A GLN 390 ? A GLN 145 
14 1 Y 1 A PHE 391 ? A PHE 146 
15 1 Y 1 A LEU 392 ? A LEU 147 
16 1 Y 1 A SER 393 ? A SER 148 
17 1 Y 1 A PRO 394 ? A PRO 149 
18 1 Y 1 A ALA 395 ? A ALA 150 
19 1 Y 1 A PRO 396 ? A PRO 151 
20 1 Y 1 A ALA 397 ? A ALA 152 
21 1 Y 1 A THR 398 ? A THR 153 
22 1 Y 1 A PRO 399 ? A PRO 154 
23 1 Y 1 A ASN 400 ? A ASN 155 
24 1 Y 1 A PRO 401 ? A PRO 156 
25 1 Y 1 A PRO 402 ? A PRO 157 
26 1 Y 1 A PRO 403 ? A PRO 158 
27 1 Y 1 A ALA 404 ? A ALA 159 
# 
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 
A1H5X C2   C  N N 1   
A1H5X C3   C  N R 2   
A1H5X C4   C  N S 3   
A1H5X C6   C  N R 4   
A1H5X C8   C  N S 5   
A1H5X O1   O  N N 6   
A1H5X C12  C  Y N 7   
A1H5X C13  C  Y N 8   
A1H5X C14  C  Y N 9   
A1H5X C15  C  Y N 10  
A1H5X C16  C  Y N 11  
A1H5X C17  C  Y N 12  
A1H5X C18  C  Y N 13  
A1H5X C19  C  Y N 14  
A1H5X C20  C  N S 15  
A1H5X C22  C  N N 16  
A1H5X C23  C  N S 17  
A1H5X C25  C  N N 18  
A1H5X N10  N  Y N 19  
A1H5X N11  N  Y N 20  
A1H5X N26  N  N N 21  
A1H5X N9   N  Y N 22  
A1H5X O21  O  N N 23  
A1H5X O24  O  N N 24  
A1H5X O27  O  N N 25  
A1H5X O5   O  N N 26  
A1H5X O7   O  N N 27  
A1H5X H2B  H  N N 28  
A1H5X H2A  H  N N 29  
A1H5X H3   H  N N 30  
A1H5X H4   H  N N 31  
A1H5X H6   H  N N 32  
A1H5X H8   H  N N 33  
A1H5X H1   H  N N 34  
A1H5X H14  H  N N 35  
A1H5X H15  H  N N 36  
A1H5X H16  H  N N 37  
A1H5X H17  H  N N 38  
A1H5X H18  H  N N 39  
A1H5X H19  H  N N 40  
A1H5X H20  H  N N 41  
A1H5X H22B H  N N 42  
A1H5X H22A H  N N 43  
A1H5X H23  H  N N 44  
A1H5X H25A H  N N 45  
A1H5X H25B H  N N 46  
A1H5X H26A H  N N 47  
A1H5X H26B H  N N 48  
A1H5X H24  H  N N 49  
A1H5X H5   H  N N 50  
A1H5X H7   H  N N 51  
ALA   N    N  N N 52  
ALA   CA   C  N S 53  
ALA   C    C  N N 54  
ALA   O    O  N N 55  
ALA   CB   C  N N 56  
ALA   OXT  O  N N 57  
ALA   H    H  N N 58  
ALA   H2   H  N N 59  
ALA   HA   H  N N 60  
ALA   HB1  H  N N 61  
ALA   HB2  H  N N 62  
ALA   HB3  H  N N 63  
ALA   HXT  H  N N 64  
ARG   N    N  N N 65  
ARG   CA   C  N S 66  
ARG   C    C  N N 67  
ARG   O    O  N N 68  
ARG   CB   C  N N 69  
ARG   CG   C  N N 70  
ARG   CD   C  N N 71  
ARG   NE   N  N N 72  
ARG   CZ   C  N N 73  
ARG   NH1  N  N N 74  
ARG   NH2  N  N N 75  
ARG   OXT  O  N N 76  
ARG   H    H  N N 77  
ARG   H2   H  N N 78  
ARG   HA   H  N N 79  
ARG   HB2  H  N N 80  
ARG   HB3  H  N N 81  
ARG   HG2  H  N N 82  
ARG   HG3  H  N N 83  
ARG   HD2  H  N N 84  
ARG   HD3  H  N N 85  
ARG   HE   H  N N 86  
ARG   HH11 H  N N 87  
ARG   HH12 H  N N 88  
ARG   HH21 H  N N 89  
ARG   HH22 H  N N 90  
ARG   HXT  H  N N 91  
ASN   N    N  N N 92  
ASN   CA   C  N S 93  
ASN   C    C  N N 94  
ASN   O    O  N N 95  
ASN   CB   C  N N 96  
ASN   CG   C  N N 97  
ASN   OD1  O  N N 98  
ASN   ND2  N  N N 99  
ASN   OXT  O  N N 100 
ASN   H    H  N N 101 
ASN   H2   H  N N 102 
ASN   HA   H  N N 103 
ASN   HB2  H  N N 104 
ASN   HB3  H  N N 105 
ASN   HD21 H  N N 106 
ASN   HD22 H  N N 107 
ASN   HXT  H  N N 108 
ASP   N    N  N N 109 
ASP   CA   C  N S 110 
ASP   C    C  N N 111 
ASP   O    O  N N 112 
ASP   CB   C  N N 113 
ASP   CG   C  N N 114 
ASP   OD1  O  N N 115 
ASP   OD2  O  N N 116 
ASP   OXT  O  N N 117 
ASP   H    H  N N 118 
ASP   H2   H  N N 119 
ASP   HA   H  N N 120 
ASP   HB2  H  N N 121 
ASP   HB3  H  N N 122 
ASP   HD2  H  N N 123 
ASP   HXT  H  N N 124 
CA    CA   CA N N 125 
CYS   N    N  N N 126 
CYS   CA   C  N R 127 
CYS   C    C  N N 128 
CYS   O    O  N N 129 
CYS   CB   C  N N 130 
CYS   SG   S  N N 131 
CYS   OXT  O  N N 132 
CYS   H    H  N N 133 
CYS   H2   H  N N 134 
CYS   HA   H  N N 135 
CYS   HB2  H  N N 136 
CYS   HB3  H  N N 137 
CYS   HG   H  N N 138 
CYS   HXT  H  N N 139 
GLN   N    N  N N 140 
GLN   CA   C  N S 141 
GLN   C    C  N N 142 
GLN   O    O  N N 143 
GLN   CB   C  N N 144 
GLN   CG   C  N N 145 
GLN   CD   C  N N 146 
GLN   OE1  O  N N 147 
GLN   NE2  N  N N 148 
GLN   OXT  O  N N 149 
GLN   H    H  N N 150 
GLN   H2   H  N N 151 
GLN   HA   H  N N 152 
GLN   HB2  H  N N 153 
GLN   HB3  H  N N 154 
GLN   HG2  H  N N 155 
GLN   HG3  H  N N 156 
GLN   HE21 H  N N 157 
GLN   HE22 H  N N 158 
GLN   HXT  H  N N 159 
GLU   N    N  N N 160 
GLU   CA   C  N S 161 
GLU   C    C  N N 162 
GLU   O    O  N N 163 
GLU   CB   C  N N 164 
GLU   CG   C  N N 165 
GLU   CD   C  N N 166 
GLU   OE1  O  N N 167 
GLU   OE2  O  N N 168 
GLU   OXT  O  N N 169 
GLU   H    H  N N 170 
GLU   H2   H  N N 171 
GLU   HA   H  N N 172 
GLU   HB2  H  N N 173 
GLU   HB3  H  N N 174 
GLU   HG2  H  N N 175 
GLU   HG3  H  N N 176 
GLU   HE2  H  N N 177 
GLU   HXT  H  N N 178 
GLY   N    N  N N 179 
GLY   CA   C  N N 180 
GLY   C    C  N N 181 
GLY   O    O  N N 182 
GLY   OXT  O  N N 183 
GLY   H    H  N N 184 
GLY   H2   H  N N 185 
GLY   HA2  H  N N 186 
GLY   HA3  H  N N 187 
GLY   HXT  H  N N 188 
HIS   N    N  N N 189 
HIS   CA   C  N S 190 
HIS   C    C  N N 191 
HIS   O    O  N N 192 
HIS   CB   C  N N 193 
HIS   CG   C  Y N 194 
HIS   ND1  N  Y N 195 
HIS   CD2  C  Y N 196 
HIS   CE1  C  Y N 197 
HIS   NE2  N  Y N 198 
HIS   OXT  O  N N 199 
HIS   H    H  N N 200 
HIS   H2   H  N N 201 
HIS   HA   H  N N 202 
HIS   HB2  H  N N 203 
HIS   HB3  H  N N 204 
HIS   HD1  H  N N 205 
HIS   HD2  H  N N 206 
HIS   HE1  H  N N 207 
HIS   HE2  H  N N 208 
HIS   HXT  H  N N 209 
HOH   O    O  N N 210 
HOH   H1   H  N N 211 
HOH   H2   H  N N 212 
ILE   N    N  N N 213 
ILE   CA   C  N S 214 
ILE   C    C  N N 215 
ILE   O    O  N N 216 
ILE   CB   C  N S 217 
ILE   CG1  C  N N 218 
ILE   CG2  C  N N 219 
ILE   CD1  C  N N 220 
ILE   OXT  O  N N 221 
ILE   H    H  N N 222 
ILE   H2   H  N N 223 
ILE   HA   H  N N 224 
ILE   HB   H  N N 225 
ILE   HG12 H  N N 226 
ILE   HG13 H  N N 227 
ILE   HG21 H  N N 228 
ILE   HG22 H  N N 229 
ILE   HG23 H  N N 230 
ILE   HD11 H  N N 231 
ILE   HD12 H  N N 232 
ILE   HD13 H  N N 233 
ILE   HXT  H  N N 234 
LEU   N    N  N N 235 
LEU   CA   C  N S 236 
LEU   C    C  N N 237 
LEU   O    O  N N 238 
LEU   CB   C  N N 239 
LEU   CG   C  N N 240 
LEU   CD1  C  N N 241 
LEU   CD2  C  N N 242 
LEU   OXT  O  N N 243 
LEU   H    H  N N 244 
LEU   H2   H  N N 245 
LEU   HA   H  N N 246 
LEU   HB2  H  N N 247 
LEU   HB3  H  N N 248 
LEU   HG   H  N N 249 
LEU   HD11 H  N N 250 
LEU   HD12 H  N N 251 
LEU   HD13 H  N N 252 
LEU   HD21 H  N N 253 
LEU   HD22 H  N N 254 
LEU   HD23 H  N N 255 
LEU   HXT  H  N N 256 
LYS   N    N  N N 257 
LYS   CA   C  N S 258 
LYS   C    C  N N 259 
LYS   O    O  N N 260 
LYS   CB   C  N N 261 
LYS   CG   C  N N 262 
LYS   CD   C  N N 263 
LYS   CE   C  N N 264 
LYS   NZ   N  N N 265 
LYS   OXT  O  N N 266 
LYS   H    H  N N 267 
LYS   H2   H  N N 268 
LYS   HA   H  N N 269 
LYS   HB2  H  N N 270 
LYS   HB3  H  N N 271 
LYS   HG2  H  N N 272 
LYS   HG3  H  N N 273 
LYS   HD2  H  N N 274 
LYS   HD3  H  N N 275 
LYS   HE2  H  N N 276 
LYS   HE3  H  N N 277 
LYS   HZ1  H  N N 278 
LYS   HZ2  H  N N 279 
LYS   HZ3  H  N N 280 
LYS   HXT  H  N N 281 
MET   N    N  N N 282 
MET   CA   C  N S 283 
MET   C    C  N N 284 
MET   O    O  N N 285 
MET   CB   C  N N 286 
MET   CG   C  N N 287 
MET   SD   S  N N 288 
MET   CE   C  N N 289 
MET   OXT  O  N N 290 
MET   H    H  N N 291 
MET   H2   H  N N 292 
MET   HA   H  N N 293 
MET   HB2  H  N N 294 
MET   HB3  H  N N 295 
MET   HG2  H  N N 296 
MET   HG3  H  N N 297 
MET   HE1  H  N N 298 
MET   HE2  H  N N 299 
MET   HE3  H  N N 300 
MET   HXT  H  N N 301 
PHE   N    N  N N 302 
PHE   CA   C  N S 303 
PHE   C    C  N N 304 
PHE   O    O  N N 305 
PHE   CB   C  N N 306 
PHE   CG   C  Y N 307 
PHE   CD1  C  Y N 308 
PHE   CD2  C  Y N 309 
PHE   CE1  C  Y N 310 
PHE   CE2  C  Y N 311 
PHE   CZ   C  Y N 312 
PHE   OXT  O  N N 313 
PHE   H    H  N N 314 
PHE   H2   H  N N 315 
PHE   HA   H  N N 316 
PHE   HB2  H  N N 317 
PHE   HB3  H  N N 318 
PHE   HD1  H  N N 319 
PHE   HD2  H  N N 320 
PHE   HE1  H  N N 321 
PHE   HE2  H  N N 322 
PHE   HZ   H  N N 323 
PHE   HXT  H  N N 324 
PRO   N    N  N N 325 
PRO   CA   C  N S 326 
PRO   C    C  N N 327 
PRO   O    O  N N 328 
PRO   CB   C  N N 329 
PRO   CG   C  N N 330 
PRO   CD   C  N N 331 
PRO   OXT  O  N N 332 
PRO   H    H  N N 333 
PRO   HA   H  N N 334 
PRO   HB2  H  N N 335 
PRO   HB3  H  N N 336 
PRO   HG2  H  N N 337 
PRO   HG3  H  N N 338 
PRO   HD2  H  N N 339 
PRO   HD3  H  N N 340 
PRO   HXT  H  N N 341 
SER   N    N  N N 342 
SER   CA   C  N S 343 
SER   C    C  N N 344 
SER   O    O  N N 345 
SER   CB   C  N N 346 
SER   OG   O  N N 347 
SER   OXT  O  N N 348 
SER   H    H  N N 349 
SER   H2   H  N N 350 
SER   HA   H  N N 351 
SER   HB2  H  N N 352 
SER   HB3  H  N N 353 
SER   HG   H  N N 354 
SER   HXT  H  N N 355 
THR   N    N  N N 356 
THR   CA   C  N S 357 
THR   C    C  N N 358 
THR   O    O  N N 359 
THR   CB   C  N R 360 
THR   OG1  O  N N 361 
THR   CG2  C  N N 362 
THR   OXT  O  N N 363 
THR   H    H  N N 364 
THR   H2   H  N N 365 
THR   HA   H  N N 366 
THR   HB   H  N N 367 
THR   HG1  H  N N 368 
THR   HG21 H  N N 369 
THR   HG22 H  N N 370 
THR   HG23 H  N N 371 
THR   HXT  H  N N 372 
TRP   N    N  N N 373 
TRP   CA   C  N S 374 
TRP   C    C  N N 375 
TRP   O    O  N N 376 
TRP   CB   C  N N 377 
TRP   CG   C  Y N 378 
TRP   CD1  C  Y N 379 
TRP   CD2  C  Y N 380 
TRP   NE1  N  Y N 381 
TRP   CE2  C  Y N 382 
TRP   CE3  C  Y N 383 
TRP   CZ2  C  Y N 384 
TRP   CZ3  C  Y N 385 
TRP   CH2  C  Y N 386 
TRP   OXT  O  N N 387 
TRP   H    H  N N 388 
TRP   H2   H  N N 389 
TRP   HA   H  N N 390 
TRP   HB2  H  N N 391 
TRP   HB3  H  N N 392 
TRP   HD1  H  N N 393 
TRP   HE1  H  N N 394 
TRP   HE3  H  N N 395 
TRP   HZ2  H  N N 396 
TRP   HZ3  H  N N 397 
TRP   HH2  H  N N 398 
TRP   HXT  H  N N 399 
TYR   N    N  N N 400 
TYR   CA   C  N S 401 
TYR   C    C  N N 402 
TYR   O    O  N N 403 
TYR   CB   C  N N 404 
TYR   CG   C  Y N 405 
TYR   CD1  C  Y N 406 
TYR   CD2  C  Y N 407 
TYR   CE1  C  Y N 408 
TYR   CE2  C  Y N 409 
TYR   CZ   C  Y N 410 
TYR   OH   O  N N 411 
TYR   OXT  O  N N 412 
TYR   H    H  N N 413 
TYR   H2   H  N N 414 
TYR   HA   H  N N 415 
TYR   HB2  H  N N 416 
TYR   HB3  H  N N 417 
TYR   HD1  H  N N 418 
TYR   HD2  H  N N 419 
TYR   HE1  H  N N 420 
TYR   HE2  H  N N 421 
TYR   HH   H  N N 422 
TYR   HXT  H  N N 423 
VAL   N    N  N N 424 
VAL   CA   C  N S 425 
VAL   C    C  N N 426 
VAL   O    O  N N 427 
VAL   CB   C  N N 428 
VAL   CG1  C  N N 429 
VAL   CG2  C  N N 430 
VAL   OXT  O  N N 431 
VAL   H    H  N N 432 
VAL   H2   H  N N 433 
VAL   HA   H  N N 434 
VAL   HB   H  N N 435 
VAL   HG11 H  N N 436 
VAL   HG12 H  N N 437 
VAL   HG13 H  N N 438 
VAL   HG21 H  N N 439 
VAL   HG22 H  N N 440 
VAL   HG23 H  N N 441 
VAL   HXT  H  N N 442 
# 
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 
A1H5X N26 C25  sing N N 1   
A1H5X C25 C23  sing N N 2   
A1H5X O24 C23  sing N N 3   
A1H5X C23 C22  sing N N 4   
A1H5X C22 O21  sing N N 5   
A1H5X O5  C4   sing N N 6   
A1H5X O21 C20  sing N N 7   
A1H5X O1  C2   sing N N 8   
A1H5X C6  O7   sing N N 9   
A1H5X C6  C4   sing N N 10  
A1H5X C6  C8   sing N N 11  
A1H5X C3  C4   sing N N 12  
A1H5X C3  C2   sing N N 13  
A1H5X C3  O27  sing N N 14  
A1H5X C20 C8   sing N N 15  
A1H5X C20 O27  sing N N 16  
A1H5X C8  N9   sing N N 17  
A1H5X N9  N10  sing Y N 18  
A1H5X N9  C19  sing Y N 19  
A1H5X N10 N11  doub Y N 20  
A1H5X C19 C12  doub Y N 21  
A1H5X N11 C12  sing Y N 22  
A1H5X C12 C13  sing N N 23  
A1H5X C13 C14  doub Y N 24  
A1H5X C13 C18  sing Y N 25  
A1H5X C14 C15  sing Y N 26  
A1H5X C18 C17  doub Y N 27  
A1H5X C15 C16  doub Y N 28  
A1H5X C17 C16  sing Y N 29  
A1H5X C2  H2B  sing N N 30  
A1H5X C2  H2A  sing N N 31  
A1H5X C3  H3   sing N N 32  
A1H5X C4  H4   sing N N 33  
A1H5X C6  H6   sing N N 34  
A1H5X C8  H8   sing N N 35  
A1H5X O1  H1   sing N N 36  
A1H5X C14 H14  sing N N 37  
A1H5X C15 H15  sing N N 38  
A1H5X C16 H16  sing N N 39  
A1H5X C17 H17  sing N N 40  
A1H5X C18 H18  sing N N 41  
A1H5X C19 H19  sing N N 42  
A1H5X C20 H20  sing N N 43  
A1H5X C22 H22B sing N N 44  
A1H5X C22 H22A sing N N 45  
A1H5X C23 H23  sing N N 46  
A1H5X C25 H25A sing N N 47  
A1H5X C25 H25B sing N N 48  
A1H5X N26 H26A sing N N 49  
A1H5X N26 H26B sing N N 50  
A1H5X O24 H24  sing N N 51  
A1H5X O5  H5   sing N N 52  
A1H5X O7  H7   sing N N 53  
ALA   N   CA   sing N N 54  
ALA   N   H    sing N N 55  
ALA   N   H2   sing N N 56  
ALA   CA  C    sing N N 57  
ALA   CA  CB   sing N N 58  
ALA   CA  HA   sing N N 59  
ALA   C   O    doub N N 60  
ALA   C   OXT  sing N N 61  
ALA   CB  HB1  sing N N 62  
ALA   CB  HB2  sing N N 63  
ALA   CB  HB3  sing N N 64  
ALA   OXT HXT  sing N N 65  
ARG   N   CA   sing N N 66  
ARG   N   H    sing N N 67  
ARG   N   H2   sing N N 68  
ARG   CA  C    sing N N 69  
ARG   CA  CB   sing N N 70  
ARG   CA  HA   sing N N 71  
ARG   C   O    doub N N 72  
ARG   C   OXT  sing N N 73  
ARG   CB  CG   sing N N 74  
ARG   CB  HB2  sing N N 75  
ARG   CB  HB3  sing N N 76  
ARG   CG  CD   sing N N 77  
ARG   CG  HG2  sing N N 78  
ARG   CG  HG3  sing N N 79  
ARG   CD  NE   sing N N 80  
ARG   CD  HD2  sing N N 81  
ARG   CD  HD3  sing N N 82  
ARG   NE  CZ   sing N N 83  
ARG   NE  HE   sing N N 84  
ARG   CZ  NH1  sing N N 85  
ARG   CZ  NH2  doub N N 86  
ARG   NH1 HH11 sing N N 87  
ARG   NH1 HH12 sing N N 88  
ARG   NH2 HH21 sing N N 89  
ARG   NH2 HH22 sing N N 90  
ARG   OXT HXT  sing N N 91  
ASN   N   CA   sing N N 92  
ASN   N   H    sing N N 93  
ASN   N   H2   sing N N 94  
ASN   CA  C    sing N N 95  
ASN   CA  CB   sing N N 96  
ASN   CA  HA   sing N N 97  
ASN   C   O    doub N N 98  
ASN   C   OXT  sing N N 99  
ASN   CB  CG   sing N N 100 
ASN   CB  HB2  sing N N 101 
ASN   CB  HB3  sing N N 102 
ASN   CG  OD1  doub N N 103 
ASN   CG  ND2  sing N N 104 
ASN   ND2 HD21 sing N N 105 
ASN   ND2 HD22 sing N N 106 
ASN   OXT HXT  sing N N 107 
ASP   N   CA   sing N N 108 
ASP   N   H    sing N N 109 
ASP   N   H2   sing N N 110 
ASP   CA  C    sing N N 111 
ASP   CA  CB   sing N N 112 
ASP   CA  HA   sing N N 113 
ASP   C   O    doub N N 114 
ASP   C   OXT  sing N N 115 
ASP   CB  CG   sing N N 116 
ASP   CB  HB2  sing N N 117 
ASP   CB  HB3  sing N N 118 
ASP   CG  OD1  doub N N 119 
ASP   CG  OD2  sing N N 120 
ASP   OD2 HD2  sing N N 121 
ASP   OXT HXT  sing N N 122 
CYS   N   CA   sing N N 123 
CYS   N   H    sing N N 124 
CYS   N   H2   sing N N 125 
CYS   CA  C    sing N N 126 
CYS   CA  CB   sing N N 127 
CYS   CA  HA   sing N N 128 
CYS   C   O    doub N N 129 
CYS   C   OXT  sing N N 130 
CYS   CB  SG   sing N N 131 
CYS   CB  HB2  sing N N 132 
CYS   CB  HB3  sing N N 133 
CYS   SG  HG   sing N N 134 
CYS   OXT HXT  sing N N 135 
GLN   N   CA   sing N N 136 
GLN   N   H    sing N N 137 
GLN   N   H2   sing N N 138 
GLN   CA  C    sing N N 139 
GLN   CA  CB   sing N N 140 
GLN   CA  HA   sing N N 141 
GLN   C   O    doub N N 142 
GLN   C   OXT  sing N N 143 
GLN   CB  CG   sing N N 144 
GLN   CB  HB2  sing N N 145 
GLN   CB  HB3  sing N N 146 
GLN   CG  CD   sing N N 147 
GLN   CG  HG2  sing N N 148 
GLN   CG  HG3  sing N N 149 
GLN   CD  OE1  doub N N 150 
GLN   CD  NE2  sing N N 151 
GLN   NE2 HE21 sing N N 152 
GLN   NE2 HE22 sing N N 153 
GLN   OXT HXT  sing N N 154 
GLU   N   CA   sing N N 155 
GLU   N   H    sing N N 156 
GLU   N   H2   sing N N 157 
GLU   CA  C    sing N N 158 
GLU   CA  CB   sing N N 159 
GLU   CA  HA   sing N N 160 
GLU   C   O    doub N N 161 
GLU   C   OXT  sing N N 162 
GLU   CB  CG   sing N N 163 
GLU   CB  HB2  sing N N 164 
GLU   CB  HB3  sing N N 165 
GLU   CG  CD   sing N N 166 
GLU   CG  HG2  sing N N 167 
GLU   CG  HG3  sing N N 168 
GLU   CD  OE1  doub N N 169 
GLU   CD  OE2  sing N N 170 
GLU   OE2 HE2  sing N N 171 
GLU   OXT HXT  sing N N 172 
GLY   N   CA   sing N N 173 
GLY   N   H    sing N N 174 
GLY   N   H2   sing N N 175 
GLY   CA  C    sing N N 176 
GLY   CA  HA2  sing N N 177 
GLY   CA  HA3  sing N N 178 
GLY   C   O    doub N N 179 
GLY   C   OXT  sing N N 180 
GLY   OXT HXT  sing N N 181 
HIS   N   CA   sing N N 182 
HIS   N   H    sing N N 183 
HIS   N   H2   sing N N 184 
HIS   CA  C    sing N N 185 
HIS   CA  CB   sing N N 186 
HIS   CA  HA   sing N N 187 
HIS   C   O    doub N N 188 
HIS   C   OXT  sing N N 189 
HIS   CB  CG   sing N N 190 
HIS   CB  HB2  sing N N 191 
HIS   CB  HB3  sing N N 192 
HIS   CG  ND1  sing Y N 193 
HIS   CG  CD2  doub Y N 194 
HIS   ND1 CE1  doub Y N 195 
HIS   ND1 HD1  sing N N 196 
HIS   CD2 NE2  sing Y N 197 
HIS   CD2 HD2  sing N N 198 
HIS   CE1 NE2  sing Y N 199 
HIS   CE1 HE1  sing N N 200 
HIS   NE2 HE2  sing N N 201 
HIS   OXT HXT  sing N N 202 
HOH   O   H1   sing N N 203 
HOH   O   H2   sing N N 204 
ILE   N   CA   sing N N 205 
ILE   N   H    sing N N 206 
ILE   N   H2   sing N N 207 
ILE   CA  C    sing N N 208 
ILE   CA  CB   sing N N 209 
ILE   CA  HA   sing N N 210 
ILE   C   O    doub N N 211 
ILE   C   OXT  sing N N 212 
ILE   CB  CG1  sing N N 213 
ILE   CB  CG2  sing N N 214 
ILE   CB  HB   sing N N 215 
ILE   CG1 CD1  sing N N 216 
ILE   CG1 HG12 sing N N 217 
ILE   CG1 HG13 sing N N 218 
ILE   CG2 HG21 sing N N 219 
ILE   CG2 HG22 sing N N 220 
ILE   CG2 HG23 sing N N 221 
ILE   CD1 HD11 sing N N 222 
ILE   CD1 HD12 sing N N 223 
ILE   CD1 HD13 sing N N 224 
ILE   OXT HXT  sing N N 225 
LEU   N   CA   sing N N 226 
LEU   N   H    sing N N 227 
LEU   N   H2   sing N N 228 
LEU   CA  C    sing N N 229 
LEU   CA  CB   sing N N 230 
LEU   CA  HA   sing N N 231 
LEU   C   O    doub N N 232 
LEU   C   OXT  sing N N 233 
LEU   CB  CG   sing N N 234 
LEU   CB  HB2  sing N N 235 
LEU   CB  HB3  sing N N 236 
LEU   CG  CD1  sing N N 237 
LEU   CG  CD2  sing N N 238 
LEU   CG  HG   sing N N 239 
LEU   CD1 HD11 sing N N 240 
LEU   CD1 HD12 sing N N 241 
LEU   CD1 HD13 sing N N 242 
LEU   CD2 HD21 sing N N 243 
LEU   CD2 HD22 sing N N 244 
LEU   CD2 HD23 sing N N 245 
LEU   OXT HXT  sing N N 246 
LYS   N   CA   sing N N 247 
LYS   N   H    sing N N 248 
LYS   N   H2   sing N N 249 
LYS   CA  C    sing N N 250 
LYS   CA  CB   sing N N 251 
LYS   CA  HA   sing N N 252 
LYS   C   O    doub N N 253 
LYS   C   OXT  sing N N 254 
LYS   CB  CG   sing N N 255 
LYS   CB  HB2  sing N N 256 
LYS   CB  HB3  sing N N 257 
LYS   CG  CD   sing N N 258 
LYS   CG  HG2  sing N N 259 
LYS   CG  HG3  sing N N 260 
LYS   CD  CE   sing N N 261 
LYS   CD  HD2  sing N N 262 
LYS   CD  HD3  sing N N 263 
LYS   CE  NZ   sing N N 264 
LYS   CE  HE2  sing N N 265 
LYS   CE  HE3  sing N N 266 
LYS   NZ  HZ1  sing N N 267 
LYS   NZ  HZ2  sing N N 268 
LYS   NZ  HZ3  sing N N 269 
LYS   OXT HXT  sing N N 270 
MET   N   CA   sing N N 271 
MET   N   H    sing N N 272 
MET   N   H2   sing N N 273 
MET   CA  C    sing N N 274 
MET   CA  CB   sing N N 275 
MET   CA  HA   sing N N 276 
MET   C   O    doub N N 277 
MET   C   OXT  sing N N 278 
MET   CB  CG   sing N N 279 
MET   CB  HB2  sing N N 280 
MET   CB  HB3  sing N N 281 
MET   CG  SD   sing N N 282 
MET   CG  HG2  sing N N 283 
MET   CG  HG3  sing N N 284 
MET   SD  CE   sing N N 285 
MET   CE  HE1  sing N N 286 
MET   CE  HE2  sing N N 287 
MET   CE  HE3  sing N N 288 
MET   OXT HXT  sing N N 289 
PHE   N   CA   sing N N 290 
PHE   N   H    sing N N 291 
PHE   N   H2   sing N N 292 
PHE   CA  C    sing N N 293 
PHE   CA  CB   sing N N 294 
PHE   CA  HA   sing N N 295 
PHE   C   O    doub N N 296 
PHE   C   OXT  sing N N 297 
PHE   CB  CG   sing N N 298 
PHE   CB  HB2  sing N N 299 
PHE   CB  HB3  sing N N 300 
PHE   CG  CD1  doub Y N 301 
PHE   CG  CD2  sing Y N 302 
PHE   CD1 CE1  sing Y N 303 
PHE   CD1 HD1  sing N N 304 
PHE   CD2 CE2  doub Y N 305 
PHE   CD2 HD2  sing N N 306 
PHE   CE1 CZ   doub Y N 307 
PHE   CE1 HE1  sing N N 308 
PHE   CE2 CZ   sing Y N 309 
PHE   CE2 HE2  sing N N 310 
PHE   CZ  HZ   sing N N 311 
PHE   OXT HXT  sing N N 312 
PRO   N   CA   sing N N 313 
PRO   N   CD   sing N N 314 
PRO   N   H    sing N N 315 
PRO   CA  C    sing N N 316 
PRO   CA  CB   sing N N 317 
PRO   CA  HA   sing N N 318 
PRO   C   O    doub N N 319 
PRO   C   OXT  sing N N 320 
PRO   CB  CG   sing N N 321 
PRO   CB  HB2  sing N N 322 
PRO   CB  HB3  sing N N 323 
PRO   CG  CD   sing N N 324 
PRO   CG  HG2  sing N N 325 
PRO   CG  HG3  sing N N 326 
PRO   CD  HD2  sing N N 327 
PRO   CD  HD3  sing N N 328 
PRO   OXT HXT  sing N N 329 
SER   N   CA   sing N N 330 
SER   N   H    sing N N 331 
SER   N   H2   sing N N 332 
SER   CA  C    sing N N 333 
SER   CA  CB   sing N N 334 
SER   CA  HA   sing N N 335 
SER   C   O    doub N N 336 
SER   C   OXT  sing N N 337 
SER   CB  OG   sing N N 338 
SER   CB  HB2  sing N N 339 
SER   CB  HB3  sing N N 340 
SER   OG  HG   sing N N 341 
SER   OXT HXT  sing N N 342 
THR   N   CA   sing N N 343 
THR   N   H    sing N N 344 
THR   N   H2   sing N N 345 
THR   CA  C    sing N N 346 
THR   CA  CB   sing N N 347 
THR   CA  HA   sing N N 348 
THR   C   O    doub N N 349 
THR   C   OXT  sing N N 350 
THR   CB  OG1  sing N N 351 
THR   CB  CG2  sing N N 352 
THR   CB  HB   sing N N 353 
THR   OG1 HG1  sing N N 354 
THR   CG2 HG21 sing N N 355 
THR   CG2 HG22 sing N N 356 
THR   CG2 HG23 sing N N 357 
THR   OXT HXT  sing N N 358 
TRP   N   CA   sing N N 359 
TRP   N   H    sing N N 360 
TRP   N   H2   sing N N 361 
TRP   CA  C    sing N N 362 
TRP   CA  CB   sing N N 363 
TRP   CA  HA   sing N N 364 
TRP   C   O    doub N N 365 
TRP   C   OXT  sing N N 366 
TRP   CB  CG   sing N N 367 
TRP   CB  HB2  sing N N 368 
TRP   CB  HB3  sing N N 369 
TRP   CG  CD1  doub Y N 370 
TRP   CG  CD2  sing Y N 371 
TRP   CD1 NE1  sing Y N 372 
TRP   CD1 HD1  sing N N 373 
TRP   CD2 CE2  doub Y N 374 
TRP   CD2 CE3  sing Y N 375 
TRP   NE1 CE2  sing Y N 376 
TRP   NE1 HE1  sing N N 377 
TRP   CE2 CZ2  sing Y N 378 
TRP   CE3 CZ3  doub Y N 379 
TRP   CE3 HE3  sing N N 380 
TRP   CZ2 CH2  doub Y N 381 
TRP   CZ2 HZ2  sing N N 382 
TRP   CZ3 CH2  sing Y N 383 
TRP   CZ3 HZ3  sing N N 384 
TRP   CH2 HH2  sing N N 385 
TRP   OXT HXT  sing N N 386 
TYR   N   CA   sing N N 387 
TYR   N   H    sing N N 388 
TYR   N   H2   sing N N 389 
TYR   CA  C    sing N N 390 
TYR   CA  CB   sing N N 391 
TYR   CA  HA   sing N N 392 
TYR   C   O    doub N N 393 
TYR   C   OXT  sing N N 394 
TYR   CB  CG   sing N N 395 
TYR   CB  HB2  sing N N 396 
TYR   CB  HB3  sing N N 397 
TYR   CG  CD1  doub Y N 398 
TYR   CG  CD2  sing Y N 399 
TYR   CD1 CE1  sing Y N 400 
TYR   CD1 HD1  sing N N 401 
TYR   CD2 CE2  doub Y N 402 
TYR   CD2 HD2  sing N N 403 
TYR   CE1 CZ   doub Y N 404 
TYR   CE1 HE1  sing N N 405 
TYR   CE2 CZ   sing Y N 406 
TYR   CE2 HE2  sing N N 407 
TYR   CZ  OH   sing N N 408 
TYR   OH  HH   sing N N 409 
TYR   OXT HXT  sing N N 410 
VAL   N   CA   sing N N 411 
VAL   N   H    sing N N 412 
VAL   N   H2   sing N N 413 
VAL   CA  C    sing N N 414 
VAL   CA  CB   sing N N 415 
VAL   CA  HA   sing N N 416 
VAL   C   O    doub N N 417 
VAL   C   OXT  sing N N 418 
VAL   CB  CG1  sing N N 419 
VAL   CB  CG2  sing N N 420 
VAL   CB  HB   sing N N 421 
VAL   CG1 HG11 sing N N 422 
VAL   CG1 HG12 sing N N 423 
VAL   CG1 HG13 sing N N 424 
VAL   CG2 HG21 sing N N 425 
VAL   CG2 HG22 sing N N 426 
VAL   CG2 HG23 sing N N 427 
VAL   OXT HXT  sing N N 428 
# 
_pdbx_audit_support.funding_organization   'German Research Foundation (DFG)' 
_pdbx_audit_support.country                Germany 
_pdbx_audit_support.grant_number           532758733 
_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   7NL7 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9EMS 
_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]   0.013351 
_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]   0.013351 
_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]   0.016354 
_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  
CA 
H  
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    . CYS   A 1 8   ? -5.714  -28.187 -41.338 1.00 85.96  ? 253 CYS   A N    1 
ATOM   2    C  CA   . CYS   A 1 8   ? -5.372  -27.127 -40.394 1.00 105.75 ? 253 CYS   A CA   1 
ATOM   3    C  C    . CYS   A 1 8   ? -5.767  -27.515 -38.974 1.00 101.15 ? 253 CYS   A C    1 
ATOM   4    O  O    . CYS   A 1 8   ? -6.800  -28.150 -38.767 1.00 108.50 ? 253 CYS   A O    1 
ATOM   5    C  CB   . CYS   A 1 8   ? -6.056  -25.820 -40.792 1.00 111.06 ? 253 CYS   A CB   1 
ATOM   6    S  SG   . CYS   A 1 8   ? -5.927  -24.500 -39.563 1.00 113.66 ? 253 CYS   A SG   1 
ATOM   7    H  HA   . CYS   A 1 8   ? -4.413  -26.983 -40.412 1.00 126.94 ? 253 CYS   A HA   1 
ATOM   8    H  HB2  . CYS   A 1 8   ? -5.655  -25.497 -41.614 1.00 133.32 ? 253 CYS   A HB2  1 
ATOM   9    H  HB3  . CYS   A 1 8   ? -6.999  -25.996 -40.937 1.00 133.32 ? 253 CYS   A HB3  1 
ATOM   10   N  N    . HIS   A 1 9   ? -4.945  -27.124 -38.001 1.00 96.80  ? 254 HIS   A N    1 
ATOM   11   C  CA   . HIS   A 1 9   ? -5.160  -27.479 -36.601 1.00 88.29  ? 254 HIS   A CA   1 
ATOM   12   C  C    . HIS   A 1 9   ? -5.327  -26.211 -35.774 1.00 82.13  ? 254 HIS   A C    1 
ATOM   13   O  O    . HIS   A 1 9   ? -4.404  -25.378 -35.736 1.00 88.05  ? 254 HIS   A O    1 
ATOM   14   C  CB   . HIS   A 1 9   ? -3.989  -28.313 -36.069 1.00 88.29  ? 254 HIS   A CB   1 
ATOM   15   C  CG   . HIS   A 1 9   ? -3.779  -29.600 -36.805 1.00 111.64 ? 254 HIS   A CG   1 
ATOM   16   N  ND1  . HIS   A 1 9   ? -2.541  -30.007 -37.254 1.00 113.86 ? 254 HIS   A ND1  1 
ATOM   17   C  CD2  . HIS   A 1 9   ? -4.649  -30.574 -37.166 1.00 114.16 ? 254 HIS   A CD2  1 
ATOM   18   C  CE1  . HIS   A 1 9   ? -2.657  -31.173 -37.863 1.00 116.44 ? 254 HIS   A CE1  1 
ATOM   19   N  NE2  . HIS   A 1 9   ? -3.926  -31.539 -37.824 1.00 112.59 ? 254 HIS   A NE2  1 
ATOM   20   H  H    . HIS   A 1 9   ? -4.243  -26.644 -38.130 1.00 116.21 ? 254 HIS   A H    1 
ATOM   21   H  HA   . HIS   A 1 9   ? -5.971  -28.005 -36.523 1.00 106.00 ? 254 HIS   A HA   1 
ATOM   22   H  HB2  . HIS   A 1 9   ? -3.175  -27.792 -36.145 1.00 106.00 ? 254 HIS   A HB2  1 
ATOM   23   H  HB3  . HIS   A 1 9   ? -4.156  -28.527 -35.138 1.00 106.00 ? 254 HIS   A HB3  1 
ATOM   24   H  HD2  . HIS   A 1 9   ? -5.564  -30.585 -37.001 1.00 137.04 ? 254 HIS   A HD2  1 
ATOM   25   H  HE1  . HIS   A 1 9   ? -1.964  -31.655 -38.253 1.00 139.78 ? 254 HIS   A HE1  1 
ATOM   26   H  HE2  . HIS   A 1 9   ? -4.247  -32.265 -38.155 1.00 135.16 ? 254 HIS   A HE2  1 
ATOM   27   N  N    . PRO   A 1 10  ? -6.460  -26.008 -35.092 1.00 82.37  ? 255 PRO   A N    1 
ATOM   28   C  CA   . PRO   A 1 10  ? -6.613  -24.769 -34.312 1.00 77.38  ? 255 PRO   A CA   1 
ATOM   29   C  C    . PRO   A 1 10  ? -5.757  -24.723 -33.058 1.00 74.50  ? 255 PRO   A C    1 
ATOM   30   O  O    . PRO   A 1 10  ? -5.344  -23.627 -32.660 1.00 69.74  ? 255 PRO   A O    1 
ATOM   31   C  CB   . PRO   A 1 10  ? -8.111  -24.750 -33.978 1.00 71.51  ? 255 PRO   A CB   1 
ATOM   32   C  CG   . PRO   A 1 10  ? -8.507  -26.177 -33.973 1.00 67.57  ? 255 PRO   A CG   1 
ATOM   33   C  CD   . PRO   A 1 10  ? -7.671  -26.846 -35.031 1.00 73.62  ? 255 PRO   A CD   1 
ATOM   34   H  HA   . PRO   A 1 10  ? -6.404  -24.001 -34.866 1.00 92.90  ? 255 PRO   A HA   1 
ATOM   35   H  HB2  . PRO   A 1 10  ? -8.247  -24.351 -33.104 1.00 85.86  ? 255 PRO   A HB2  1 
ATOM   36   H  HB3  . PRO   A 1 10  ? -8.594  -24.259 -34.661 1.00 85.86  ? 255 PRO   A HB3  1 
ATOM   37   H  HG2  . PRO   A 1 10  ? -8.324  -26.561 -33.102 1.00 81.12  ? 255 PRO   A HG2  1 
ATOM   38   H  HG3  . PRO   A 1 10  ? -9.450  -26.252 -34.187 1.00 81.12  ? 255 PRO   A HG3  1 
ATOM   39   H  HD2  . PRO   A 1 10  ? -7.443  -27.749 -34.761 1.00 88.39  ? 255 PRO   A HD2  1 
ATOM   40   H  HD3  . PRO   A 1 10  ? -8.132  -26.835 -35.884 1.00 88.39  ? 255 PRO   A HD3  1 
ATOM   41   N  N    . CYS   A 1 11  ? -5.483  -25.857 -32.416 1.00 74.87  ? 256 CYS   A N    1 
ATOM   42   C  CA   . CYS   A 1 11  ? -4.639  -25.891 -31.232 1.00 75.75  ? 256 CYS   A CA   1 
ATOM   43   C  C    . CYS   A 1 11  ? -3.478  -26.860 -31.412 1.00 64.21  ? 256 CYS   A C    1 
ATOM   44   O  O    . CYS   A 1 11  ? -3.552  -27.791 -32.222 1.00 57.98  ? 256 CYS   A O    1 
ATOM   45   C  CB   . CYS   A 1 11  ? -5.433  -26.295 -29.981 1.00 70.22  ? 256 CYS   A CB   1 
ATOM   46   S  SG   . CYS   A 1 11  ? -6.544  -25.028 -29.352 1.00 64.64  ? 256 CYS   A SG   1 
ATOM   47   H  H    . CYS   A 1 11  ? -5.780  -26.629 -32.653 1.00 89.89  ? 256 CYS   A H    1 
ATOM   48   H  HA   . CYS   A 1 11  ? -4.271  -25.007 -31.081 1.00 90.95  ? 256 CYS   A HA   1 
ATOM   49   H  HB2  . CYS   A 1 11  ? -5.969  -27.075 -30.193 1.00 84.31  ? 256 CYS   A HB2  1 
ATOM   50   H  HB3  . CYS   A 1 11  ? -4.806  -26.512 -29.273 1.00 84.31  ? 256 CYS   A HB3  1 
ATOM   51   N  N    . PRO   A 1 12  ? -2.393  -26.675 -30.664 1.00 61.57  ? 257 PRO   A N    1 
ATOM   52   C  CA   . PRO   A 1 12  ? -1.238  -27.568 -30.804 1.00 69.58  ? 257 PRO   A CA   1 
ATOM   53   C  C    . PRO   A 1 12  ? -1.558  -28.984 -30.349 1.00 63.77  ? 257 PRO   A C    1 
ATOM   54   O  O    . PRO   A 1 12  ? -2.622  -29.283 -29.804 1.00 68.45  ? 257 PRO   A O    1 
ATOM   55   C  CB   . PRO   A 1 12  ? -0.169  -26.927 -29.913 1.00 62.84  ? 257 PRO   A CB   1 
ATOM   56   C  CG   . PRO   A 1 12  ? -0.624  -25.530 -29.690 1.00 64.76  ? 257 PRO   A CG   1 
ATOM   57   C  CD   . PRO   A 1 12  ? -2.117  -25.571 -29.729 1.00 63.52  ? 257 PRO   A CD   1 
ATOM   58   H  HA   . PRO   A 1 12  ? -0.928  -27.583 -31.723 1.00 83.54  ? 257 PRO   A HA   1 
ATOM   59   H  HB2  . PRO   A 1 12  ? -0.115  -27.407 -29.072 1.00 75.45  ? 257 PRO   A HB2  1 
ATOM   60   H  HB3  . PRO   A 1 12  ? 0.687   -26.939 -30.369 1.00 75.45  ? 257 PRO   A HB3  1 
ATOM   61   H  HG2  . PRO   A 1 12  ? -0.315  -25.222 -28.824 1.00 77.75  ? 257 PRO   A HG2  1 
ATOM   62   H  HG3  . PRO   A 1 12  ? -0.281  -24.960 -30.396 1.00 77.75  ? 257 PRO   A HG3  1 
ATOM   63   H  HD2  . PRO   A 1 12  ? -2.474  -25.773 -28.850 1.00 76.27  ? 257 PRO   A HD2  1 
ATOM   64   H  HD3  . PRO   A 1 12  ? -2.471  -24.737 -30.075 1.00 76.27  ? 257 PRO   A HD3  1 
ATOM   65   N  N    . TRP   A 1 13  ? -0.583  -29.862 -30.579 1.00 69.12  ? 258 TRP   A N    1 
ATOM   66   C  CA   . TRP   A 1 13  ? -0.694  -31.286 -30.290 1.00 67.47  ? 258 TRP   A CA   1 
ATOM   67   C  C    . TRP   A 1 13  ? -1.042  -31.539 -28.829 1.00 69.50  ? 258 TRP   A C    1 
ATOM   68   O  O    . TRP   A 1 13  ? -0.251  -31.234 -27.931 1.00 70.24  ? 258 TRP   A O    1 
ATOM   69   C  CB   . TRP   A 1 13  ? 0.618   -31.978 -30.668 1.00 65.58  ? 258 TRP   A CB   1 
ATOM   70   C  CG   . TRP   A 1 13  ? 0.777   -33.394 -30.203 1.00 64.13  ? 258 TRP   A CG   1 
ATOM   71   C  CD1  . TRP   A 1 13  ? 1.379   -33.815 -29.052 1.00 76.58  ? 258 TRP   A CD1  1 
ATOM   72   C  CD2  . TRP   A 1 13  ? 0.363   -34.579 -30.896 1.00 78.57  ? 258 TRP   A CD2  1 
ATOM   73   N  NE1  . TRP   A 1 13  ? 1.356   -35.188 -28.980 1.00 78.91  ? 258 TRP   A NE1  1 
ATOM   74   C  CE2  . TRP   A 1 13  ? 0.737   -35.681 -30.099 1.00 84.89  ? 258 TRP   A CE2  1 
ATOM   75   C  CE3  . TRP   A 1 13  ? -0.291  -34.816 -32.109 1.00 78.76  ? 258 TRP   A CE3  1 
ATOM   76   C  CZ2  . TRP   A 1 13  ? 0.475   -36.999 -30.474 1.00 88.05  ? 258 TRP   A CZ2  1 
ATOM   77   C  CZ3  . TRP   A 1 13  ? -0.549  -36.126 -32.481 1.00 80.55  ? 258 TRP   A CZ3  1 
ATOM   78   C  CH2  . TRP   A 1 13  ? -0.167  -37.200 -31.665 1.00 88.53  ? 258 TRP   A CH2  1 
ATOM   79   H  H    . TRP   A 1 13  ? 0.178   -29.645 -30.915 1.00 83.00  ? 258 TRP   A H    1 
ATOM   80   H  HA   . TRP   A 1 13  ? -1.401  -31.665 -30.836 1.00 81.01  ? 258 TRP   A HA   1 
ATOM   81   H  HB2  . TRP   A 1 13  ? 0.693   -31.981 -31.635 1.00 78.74  ? 258 TRP   A HB2  1 
ATOM   82   H  HB3  . TRP   A 1 13  ? 1.351   -31.466 -30.291 1.00 78.74  ? 258 TRP   A HB3  1 
ATOM   83   H  HD1  . TRP   A 1 13  ? 1.750   -33.255 -28.410 1.00 91.94  ? 258 TRP   A HD1  1 
ATOM   84   H  HE1  . TRP   A 1 13  ? 1.675   -35.660 -28.336 1.00 94.74  ? 258 TRP   A HE1  1 
ATOM   85   H  HE3  . TRP   A 1 13  ? -0.548  -34.109 -32.656 1.00 94.56  ? 258 TRP   A HE3  1 
ATOM   86   H  HZ2  . TRP   A 1 13  ? 0.727   -37.713 -29.935 1.00 105.71 ? 258 TRP   A HZ2  1 
ATOM   87   H  HZ3  . TRP   A 1 13  ? -0.985  -36.295 -33.285 1.00 96.70  ? 258 TRP   A HZ3  1 
ATOM   88   H  HH2  . TRP   A 1 13  ? -0.355  -38.068 -31.940 1.00 106.29 ? 258 TRP   A HH2  1 
ATOM   89   N  N    . GLU   A 1 14  ? -2.239  -32.083 -28.597 1.00 69.99  ? 259 GLU   A N    1 
ATOM   90   C  CA   . GLU   A 1 14  ? -2.717  -32.516 -27.285 1.00 69.67  ? 259 GLU   A CA   1 
ATOM   91   C  C    . GLU   A 1 14  ? -3.055  -31.353 -26.359 1.00 62.21  ? 259 GLU   A C    1 
ATOM   92   O  O    . GLU   A 1 14  ? -3.214  -31.553 -25.151 1.00 70.58  ? 259 GLU   A O    1 
ATOM   93   C  CB   . GLU   A 1 14  ? -1.714  -33.461 -26.608 1.00 66.50  ? 259 GLU   A CB   1 
ATOM   94   C  CG   . GLU   A 1 14  ? -1.544  -34.785 -27.349 1.00 72.37  ? 259 GLU   A CG   1 
ATOM   95   C  CD   . GLU   A 1 14  ? -0.867  -35.856 -26.515 1.00 88.94  ? 259 GLU   A CD   1 
ATOM   96   O  OE1  . GLU   A 1 14  ? -1.415  -36.979 -26.434 1.00 90.92  ? 259 GLU   A OE1  1 
ATOM   97   O  OE2  . GLU   A 1 14  ? 0.206   -35.577 -25.938 1.00 93.20  ? 259 GLU   A OE2  1 
ATOM   98   H  H    . GLU   A 1 14  ? -2.818  -32.216 -29.218 1.00 84.03  ? 259 GLU   A H    1 
ATOM   99   H  HA   . GLU   A 1 14  ? -3.536  -33.019 -27.417 1.00 83.66  ? 259 GLU   A HA   1 
ATOM   100  H  HB2  . GLU   A 1 14  ? -0.848  -33.026 -26.570 1.00 79.84  ? 259 GLU   A HB2  1 
ATOM   101  H  HB3  . GLU   A 1 14  ? -2.024  -33.658 -25.710 1.00 79.84  ? 259 GLU   A HB3  1 
ATOM   102  H  HG2  . GLU   A 1 14  ? -2.419  -35.116 -27.606 1.00 86.89  ? 259 GLU   A HG2  1 
ATOM   103  H  HG3  . GLU   A 1 14  ? -1.002  -34.636 -28.139 1.00 86.89  ? 259 GLU   A HG3  1 
ATOM   104  N  N    . TRP   A 1 15  ? -3.189  -30.140 -26.891 1.00 61.36  ? 260 TRP   A N    1 
ATOM   105  C  CA   . TRP   A 1 15  ? -3.743  -29.051 -26.105 1.00 66.70  ? 260 TRP   A CA   1 
ATOM   106  C  C    . TRP   A 1 15  ? -5.268  -29.138 -26.098 1.00 65.37  ? 260 TRP   A C    1 
ATOM   107  O  O    . TRP   A 1 15  ? -5.883  -29.794 -26.943 1.00 61.45  ? 260 TRP   A O    1 
ATOM   108  C  CB   . TRP   A 1 15  ? -3.314  -27.687 -26.656 1.00 64.50  ? 260 TRP   A CB   1 
ATOM   109  C  CG   . TRP   A 1 15  ? -1.868  -27.348 -26.444 1.00 58.53  ? 260 TRP   A CG   1 
ATOM   110  C  CD1  . TRP   A 1 15  ? -0.798  -28.175 -26.604 1.00 64.12  ? 260 TRP   A CD1  1 
ATOM   111  C  CD2  . TRP   A 1 15  ? -1.336  -26.080 -26.032 1.00 58.79  ? 260 TRP   A CD2  1 
ATOM   112  N  NE1  . TRP   A 1 15  ? 0.366   -27.503 -26.322 1.00 65.82  ? 260 TRP   A NE1  1 
ATOM   113  C  CE2  . TRP   A 1 15  ? 0.063   -26.216 -25.965 1.00 54.48  ? 260 TRP   A CE2  1 
ATOM   114  C  CE3  . TRP   A 1 15  ? -1.908  -24.846 -25.709 1.00 63.34  ? 260 TRP   A CE3  1 
ATOM   115  C  CZ2  . TRP   A 1 15  ? 0.900   -25.164 -25.592 1.00 53.38  ? 260 TRP   A CZ2  1 
ATOM   116  C  CZ3  . TRP   A 1 15  ? -1.076  -23.804 -25.337 1.00 59.56  ? 260 TRP   A CZ3  1 
ATOM   117  C  CH2  . TRP   A 1 15  ? 0.314   -23.970 -25.283 1.00 45.66  ? 260 TRP   A CH2  1 
ATOM   118  H  H    . TRP   A 1 15  ? -2.969  -29.928 -27.695 1.00 73.68  ? 260 TRP   A H    1 
ATOM   119  H  HA   . TRP   A 1 15  ? -3.429  -29.123 -25.191 1.00 80.08  ? 260 TRP   A HA   1 
ATOM   120  H  HB2  . TRP   A 1 15  ? -3.481  -27.674 -27.612 1.00 77.44  ? 260 TRP   A HB2  1 
ATOM   121  H  HB3  . TRP   A 1 15  ? -3.843  -26.999 -26.224 1.00 77.44  ? 260 TRP   A HB3  1 
ATOM   122  H  HD1  . TRP   A 1 15  ? -0.849  -29.064 -26.873 1.00 76.99  ? 260 TRP   A HD1  1 
ATOM   123  H  HE1  . TRP   A 1 15  ? 1.158   -27.838 -26.359 1.00 79.03  ? 260 TRP   A HE1  1 
ATOM   124  H  HE3  . TRP   A 1 15  ? -2.830  -24.728 -25.744 1.00 76.05  ? 260 TRP   A HE3  1 
ATOM   125  H  HZ2  . TRP   A 1 15  ? 1.823   -25.273 -25.553 1.00 64.10  ? 260 TRP   A HZ2  1 
ATOM   126  H  HZ3  . TRP   A 1 15  ? -1.445  -22.978 -25.123 1.00 71.52  ? 260 TRP   A HZ3  1 
ATOM   127  H  HH2  . TRP   A 1 15  ? 0.848   -23.252 -25.031 1.00 54.83  ? 260 TRP   A HH2  1 
ATOM   128  N  N    . THR   A 1 16  ? -5.876  -28.465 -25.127 1.00 56.91  ? 261 THR   A N    1 
ATOM   129  C  CA   . THR   A 1 16  ? -7.326  -28.387 -25.028 1.00 55.16  ? 261 THR   A CA   1 
ATOM   130  C  C    . THR   A 1 16  ? -7.810  -27.093 -25.670 1.00 58.46  ? 261 THR   A C    1 
ATOM   131  O  O    . THR   A 1 16  ? -7.148  -26.055 -25.575 1.00 59.25  ? 261 THR   A O    1 
ATOM   132  C  CB   . THR   A 1 16  ? -7.791  -28.444 -23.572 1.00 67.47  ? 261 THR   A CB   1 
ATOM   133  O  OG1  . THR   A 1 16  ? -7.684  -27.143 -22.984 1.00 86.87  ? 261 THR   A OG1  1 
ATOM   134  C  CG2  . THR   A 1 16  ? -6.948  -29.438 -22.762 1.00 76.45  ? 261 THR   A CG2  1 
ATOM   135  H  H    . THR   A 1 16  ? -5.463  -28.039 -24.504 1.00 68.34  ? 261 THR   A H    1 
ATOM   136  H  HA   . THR   A 1 16  ? -7.722  -29.132 -25.506 1.00 66.23  ? 261 THR   A HA   1 
ATOM   137  H  HB   . THR   A 1 16  ? -8.716  -28.734 -23.542 1.00 81.01  ? 261 THR   A HB   1 
ATOM   138  H  HG1  . THR   A 1 16  ? -7.938  -27.167 -22.183 1.00 104.29 ? 261 THR   A HG1  1 
ATOM   139  H  HG21 . THR   A 1 16  ? -7.257  -29.462 -21.843 1.00 91.78  ? 261 THR   A HG21 1 
ATOM   140  H  HG22 . THR   A 1 16  ? -7.026  -30.327 -23.144 1.00 91.78  ? 261 THR   A HG22 1 
ATOM   141  H  HG23 . THR   A 1 16  ? -6.016  -29.170 -22.775 1.00 91.78  ? 261 THR   A HG23 1 
ATOM   142  N  N    . PHE   A 1 17  ? -8.968  -27.163 -26.321 1.00 60.67  ? 262 PHE   A N    1 
ATOM   143  C  CA   . PHE   A 1 17  ? -9.547  -26.035 -27.035 1.00 57.37  ? 262 PHE   A CA   1 
ATOM   144  C  C    . PHE   A 1 17  ? -10.841 -25.600 -26.364 1.00 68.53  ? 262 PHE   A C    1 
ATOM   145  O  O    . PHE   A 1 17  ? -11.670 -26.436 -25.985 1.00 69.39  ? 262 PHE   A O    1 
ATOM   146  C  CB   . PHE   A 1 17  ? -9.826  -26.395 -28.498 1.00 62.65  ? 262 PHE   A CB   1 
ATOM   147  C  CG   . PHE   A 1 17  ? -10.684 -25.388 -29.220 1.00 72.00  ? 262 PHE   A CG   1 
ATOM   148  C  CD1  . PHE   A 1 17  ? -10.111 -24.305 -29.865 1.00 75.68  ? 262 PHE   A CD1  1 
ATOM   149  C  CD2  . PHE   A 1 17  ? -12.062 -25.527 -29.257 1.00 64.47  ? 262 PHE   A CD2  1 
ATOM   150  C  CE1  . PHE   A 1 17  ? -10.897 -23.380 -30.524 1.00 61.01  ? 262 PHE   A CE1  1 
ATOM   151  C  CE2  . PHE   A 1 17  ? -12.849 -24.602 -29.918 1.00 57.60  ? 262 PHE   A CE2  1 
ATOM   152  C  CZ   . PHE   A 1 17  ? -12.266 -23.530 -30.548 1.00 49.46  ? 262 PHE   A CZ   1 
ATOM   153  H  H    . PHE   A 1 17  ? -9.448  -27.875 -26.362 1.00 72.85  ? 262 PHE   A H    1 
ATOM   154  H  HA   . PHE   A 1 17  ? -8.927  -25.289 -27.017 1.00 68.89  ? 262 PHE   A HA   1 
ATOM   155  H  HB2  . PHE   A 1 17  ? -8.982  -26.459 -28.970 1.00 75.22  ? 262 PHE   A HB2  1 
ATOM   156  H  HB3  . PHE   A 1 17  ? -10.284 -27.250 -28.527 1.00 75.22  ? 262 PHE   A HB3  1 
ATOM   157  H  HD1  . PHE   A 1 17  ? -9.188  -24.196 -29.850 1.00 90.86  ? 262 PHE   A HD1  1 
ATOM   158  H  HD2  . PHE   A 1 17  ? -12.463 -26.249 -28.829 1.00 77.42  ? 262 PHE   A HD2  1 
ATOM   159  H  HE1  . PHE   A 1 17  ? -10.501 -22.655 -30.953 1.00 73.25  ? 262 PHE   A HE1  1 
ATOM   160  H  HE2  . PHE   A 1 17  ? -13.773 -24.705 -29.934 1.00 69.17  ? 262 PHE   A HE2  1 
ATOM   161  H  HZ   . PHE   A 1 17  ? -12.795 -22.909 -30.995 1.00 59.40  ? 262 PHE   A HZ   1 
ATOM   162  N  N    . PHE   A 1 18  ? -11.017 -24.287 -26.232 1.00 65.12  ? 263 PHE   A N    1 
ATOM   163  C  CA   . PHE   A 1 18  ? -12.235 -23.744 -25.640 1.00 60.56  ? 263 PHE   A CA   1 
ATOM   164  C  C    . PHE   A 1 18  ? -12.432 -22.320 -26.129 1.00 66.16  ? 263 PHE   A C    1 
ATOM   165  O  O    . PHE   A 1 18  ? -11.567 -21.465 -25.910 1.00 71.37  ? 263 PHE   A O    1 
ATOM   166  C  CB   . PHE   A 1 18  ? -12.168 -23.776 -24.117 1.00 58.83  ? 263 PHE   A CB   1 
ATOM   167  C  CG   . PHE   A 1 18  ? -13.397 -23.232 -23.457 1.00 61.46  ? 263 PHE   A CG   1 
ATOM   168  C  CD1  . PHE   A 1 18  ? -14.537 -24.007 -23.349 1.00 69.72  ? 263 PHE   A CD1  1 
ATOM   169  C  CD2  . PHE   A 1 18  ? -13.421 -21.945 -22.961 1.00 60.70  ? 263 PHE   A CD2  1 
ATOM   170  C  CE1  . PHE   A 1 18  ? -15.674 -23.509 -22.752 1.00 60.28  ? 263 PHE   A CE1  1 
ATOM   171  C  CE2  . PHE   A 1 18  ? -14.555 -21.445 -22.361 1.00 65.32  ? 263 PHE   A CE2  1 
ATOM   172  C  CZ   . PHE   A 1 18  ? -15.683 -22.229 -22.259 1.00 56.03  ? 263 PHE   A CZ   1 
ATOM   173  H  H    . PHE   A 1 18  ? -10.447 -23.691 -26.478 1.00 78.19  ? 263 PHE   A H    1 
ATOM   174  H  HA   . PHE   A 1 18  ? -12.996 -24.273 -25.924 1.00 72.72  ? 263 PHE   A HA   1 
ATOM   175  H  HB2  . PHE   A 1 18  ? -12.056 -24.694 -23.827 1.00 70.65  ? 263 PHE   A HB2  1 
ATOM   176  H  HB3  . PHE   A 1 18  ? -11.412 -23.242 -23.824 1.00 70.65  ? 263 PHE   A HB3  1 
ATOM   177  H  HD1  . PHE   A 1 18  ? -14.536 -24.875 -23.683 1.00 83.71  ? 263 PHE   A HD1  1 
ATOM   178  H  HD2  . PHE   A 1 18  ? -12.662 -21.411 -23.028 1.00 72.88  ? 263 PHE   A HD2  1 
ATOM   179  H  HE1  . PHE   A 1 18  ? -16.433 -24.041 -22.683 1.00 72.38  ? 263 PHE   A HE1  1 
ATOM   180  H  HE2  . PHE   A 1 18  ? -14.560 -20.577 -22.028 1.00 78.43  ? 263 PHE   A HE2  1 
ATOM   181  H  HZ   . PHE   A 1 18  ? -16.449 -21.893 -21.854 1.00 67.28  ? 263 PHE   A HZ   1 
ATOM   182  N  N    . GLN   A 1 19  ? -13.565 -22.070 -26.779 1.00 63.65  ? 264 GLN   A N    1 
ATOM   183  C  CA   . GLN   A 1 19  ? -13.983 -20.726 -27.173 1.00 67.79  ? 264 GLN   A CA   1 
ATOM   184  C  C    . GLN   A 1 19  ? -12.830 -19.947 -27.808 1.00 58.28  ? 264 GLN   A C    1 
ATOM   185  O  O    . GLN   A 1 19  ? -12.416 -18.887 -27.338 1.00 68.62  ? 264 GLN   A O    1 
ATOM   186  C  CB   . GLN   A 1 19  ? -14.572 -19.977 -25.974 1.00 57.94  ? 264 GLN   A CB   1 
ATOM   187  C  CG   . GLN   A 1 19  ? -15.826 -20.629 -25.409 1.00 59.75  ? 264 GLN   A CG   1 
ATOM   188  C  CD   . GLN   A 1 19  ? -16.580 -19.724 -24.460 1.00 66.16  ? 264 GLN   A CD   1 
ATOM   189  O  OE1  . GLN   A 1 19  ? -16.108 -18.639 -24.114 1.00 63.82  ? 264 GLN   A OE1  1 
ATOM   190  N  NE2  . GLN   A 1 19  ? -17.762 -20.161 -24.036 1.00 69.13  ? 264 GLN   A NE2  1 
ATOM   191  H  H    . GLN   A 1 19  ? -14.126 -22.680 -27.009 1.00 76.43  ? 264 GLN   A H    1 
ATOM   192  H  HA   . GLN   A 1 19  ? -14.683 -20.805 -27.840 1.00 81.39  ? 264 GLN   A HA   1 
ATOM   193  H  HB2  . GLN   A 1 19  ? -13.908 -19.945 -25.267 1.00 69.57  ? 264 GLN   A HB2  1 
ATOM   194  H  HB3  . GLN   A 1 19  ? -14.803 -19.076 -26.249 1.00 69.57  ? 264 GLN   A HB3  1 
ATOM   195  H  HG2  . GLN   A 1 19  ? -16.420 -20.858 -26.140 1.00 71.75  ? 264 GLN   A HG2  1 
ATOM   196  H  HG3  . GLN   A 1 19  ? -15.574 -21.430 -24.923 1.00 71.75  ? 264 GLN   A HG3  1 
ATOM   197  H  HE21 . GLN   A 1 19  ? -18.058 -20.924 -24.301 1.00 83.00  ? 264 GLN   A HE21 1 
ATOM   198  H  HE22 . GLN   A 1 19  ? -18.229 -19.682 -23.496 1.00 83.00  ? 264 GLN   A HE22 1 
ATOM   199  N  N    . GLY   A 1 20  ? -12.315 -20.500 -28.903 1.00 68.98  ? 265 GLY   A N    1 
ATOM   200  C  CA   . GLY   A 1 20  ? -11.318 -19.803 -29.691 1.00 72.73  ? 265 GLY   A CA   1 
ATOM   201  C  C    . GLY   A 1 20  ? -10.000 -19.577 -28.994 1.00 71.60  ? 265 GLY   A C    1 
ATOM   202  O  O    . GLY   A 1 20  ? -9.271  -18.649 -29.354 1.00 72.35  ? 265 GLY   A O    1 
ATOM   203  H  H    . GLY   A 1 20  ? -12.528 -21.275 -29.206 1.00 82.82  ? 265 GLY   A H    1 
ATOM   204  H  HA2  . GLY   A 1 20  ? -11.146 -20.310 -30.500 1.00 87.33  ? 265 GLY   A HA2  1 
ATOM   205  H  HA3  . GLY   A 1 20  ? -11.671 -18.937 -29.949 1.00 87.33  ? 265 GLY   A HA3  1 
ATOM   206  N  N    . ASN   A 1 21  ? -9.671  -20.398 -28.001 1.00 70.34  ? 266 ASN   A N    1 
ATOM   207  C  CA   . ASN   A 1 21  ? -8.399  -20.300 -27.308 1.00 60.03  ? 266 ASN   A CA   1 
ATOM   208  C  C    . ASN   A 1 21  ? -7.850  -21.699 -27.076 1.00 63.15  ? 266 ASN   A C    1 
ATOM   209  O  O    . ASN   A 1 21  ? -8.581  -22.692 -27.115 1.00 60.25  ? 266 ASN   A O    1 
ATOM   210  C  CB   . ASN   A 1 21  ? -8.543  -19.542 -25.985 1.00 61.63  ? 266 ASN   A CB   1 
ATOM   211  C  CG   . ASN   A 1 21  ? -8.491  -18.037 -26.172 1.00 79.31  ? 266 ASN   A CG   1 
ATOM   212  O  OD1  . ASN   A 1 21  ? -7.603  -17.515 -26.849 1.00 84.21  ? 266 ASN   A OD1  1 
ATOM   213  N  ND2  . ASN   A 1 21  ? -9.446  -17.331 -25.577 1.00 72.95  ? 266 ASN   A ND2  1 
ATOM   214  H  H    . ASN   A 1 21  ? -10.178 -21.028 -27.709 1.00 84.46  ? 266 ASN   A H    1 
ATOM   215  H  HA   . ASN   A 1 21  ? -7.769  -19.816 -27.866 1.00 72.09  ? 266 ASN   A HA   1 
ATOM   216  H  HB2  . ASN   A 1 21  ? -9.397  -19.766 -25.583 1.00 74.00  ? 266 ASN   A HB2  1 
ATOM   217  H  HB3  . ASN   A 1 21  ? -7.819  -19.798 -25.393 1.00 74.00  ? 266 ASN   A HB3  1 
ATOM   218  H  HD21 . ASN   A 1 21  ? -9.459  -16.474 -25.654 1.00 87.58  ? 266 ASN   A HD21 1 
ATOM   219  H  HD22 . ASN   A 1 21  ? -10.050 -17.730 -25.113 1.00 87.58  ? 266 ASN   A HD22 1 
ATOM   220  N  N    . CYS   A 1 22  ? -6.541  -21.765 -26.851 1.00 62.90  ? 267 CYS   A N    1 
ATOM   221  C  CA   . CYS   A 1 22  ? -5.839  -23.025 -26.647 1.00 56.55  ? 267 CYS   A CA   1 
ATOM   222  C  C    . CYS   A 1 22  ? -5.220  -23.022 -25.261 1.00 65.63  ? 267 CYS   A C    1 
ATOM   223  O  O    . CYS   A 1 22  ? -4.385  -22.165 -24.951 1.00 72.86  ? 267 CYS   A O    1 
ATOM   224  C  CB   . CYS   A 1 22  ? -4.763  -23.233 -27.710 1.00 55.72  ? 267 CYS   A CB   1 
ATOM   225  S  SG   . CYS   A 1 22  ? -5.435  -23.325 -29.370 1.00 80.08  ? 267 CYS   A SG   1 
ATOM   226  H  H    . CYS   A 1 22  ? -6.027  -21.077 -26.811 1.00 75.53  ? 267 CYS   A H    1 
ATOM   227  H  HA   . CYS   A 1 22  ? -6.470  -23.760 -26.701 1.00 67.90  ? 267 CYS   A HA   1 
ATOM   228  H  HB2  . CYS   A 1 22  ? -4.141  -22.489 -27.680 1.00 66.90  ? 267 CYS   A HB2  1 
ATOM   229  H  HB3  . CYS   A 1 22  ? -4.297  -24.063 -27.529 1.00 66.90  ? 267 CYS   A HB3  1 
ATOM   230  N  N    . TYR   A 1 23  ? -5.625  -23.978 -24.437 1.00 57.57  ? 268 TYR   A N    1 
ATOM   231  C  CA   . TYR   A 1 23  ? -5.111  -24.105 -23.085 1.00 58.99  ? 268 TYR   A CA   1 
ATOM   232  C  C    . TYR   A 1 23  ? -4.282  -25.378 -22.968 1.00 68.40  ? 268 TYR   A C    1 
ATOM   233  O  O    . TYR   A 1 23  ? -4.339  -26.272 -23.817 1.00 56.28  ? 268 TYR   A O    1 
ATOM   234  C  CB   . TYR   A 1 23  ? -6.257  -24.102 -22.070 1.00 57.54  ? 268 TYR   A CB   1 
ATOM   235  C  CG   . TYR   A 1 23  ? -7.201  -22.930 -22.221 1.00 57.00  ? 268 TYR   A CG   1 
ATOM   236  C  CD1  . TYR   A 1 23  ? -8.218  -22.950 -23.169 1.00 63.78  ? 268 TYR   A CD1  1 
ATOM   237  C  CD2  . TYR   A 1 23  ? -7.083  -21.806 -21.413 1.00 49.75  ? 268 TYR   A CD2  1 
ATOM   238  C  CE1  . TYR   A 1 23  ? -9.086  -21.884 -23.311 1.00 64.95  ? 268 TYR   A CE1  1 
ATOM   239  C  CE2  . TYR   A 1 23  ? -7.949  -20.735 -21.546 1.00 52.09  ? 268 TYR   A CE2  1 
ATOM   240  C  CZ   . TYR   A 1 23  ? -8.949  -20.780 -22.498 1.00 61.19  ? 268 TYR   A CZ   1 
ATOM   241  O  OH   . TYR   A 1 23  ? -9.818  -19.721 -22.644 1.00 57.23  ? 268 TYR   A OH   1 
ATOM   242  H  H    . TYR   A 1 23  ? -6.209  -24.575 -24.643 1.00 69.13  ? 268 TYR   A H    1 
ATOM   243  H  HA   . TYR   A 1 23  ? -4.534  -23.350 -22.892 1.00 70.84  ? 268 TYR   A HA   1 
ATOM   244  H  HB2  . TYR   A 1 23  ? -6.774  -24.916 -22.179 1.00 69.09  ? 268 TYR   A HB2  1 
ATOM   245  H  HB3  . TYR   A 1 23  ? -5.883  -24.069 -21.176 1.00 69.09  ? 268 TYR   A HB3  1 
ATOM   246  H  HD1  . TYR   A 1 23  ? -8.314  -23.694 -23.719 1.00 76.59  ? 268 TYR   A HD1  1 
ATOM   247  H  HD2  . TYR   A 1 23  ? -6.411  -21.773 -20.771 1.00 59.75  ? 268 TYR   A HD2  1 
ATOM   248  H  HE1  . TYR   A 1 23  ? -9.761  -21.913 -23.951 1.00 77.98  ? 268 TYR   A HE1  1 
ATOM   249  H  HE2  . TYR   A 1 23  ? -7.857  -19.989 -20.999 1.00 62.56  ? 268 TYR   A HE2  1 
ATOM   250  H  HH   . TYR   A 1 23  ? -9.629  -19.116 -22.092 1.00 68.72  ? 268 TYR   A HH   1 
ATOM   251  N  N    . PHE   A 1 24  ? -3.502  -25.446 -21.892 1.00 72.26  ? 269 PHE   A N    1 
ATOM   252  C  CA   . PHE   A 1 24  ? -2.552  -26.539 -21.699 1.00 68.75  ? 269 PHE   A CA   1 
ATOM   253  C  C    . PHE   A 1 24  ? -2.224  -26.635 -20.221 1.00 66.12  ? 269 PHE   A C    1 
ATOM   254  O  O    . PHE   A 1 24  ? -1.704  -25.674 -19.649 1.00 70.77  ? 269 PHE   A O    1 
ATOM   255  C  CB   . PHE   A 1 24  ? -1.283  -26.297 -22.514 1.00 70.18  ? 269 PHE   A CB   1 
ATOM   256  C  CG   . PHE   A 1 24  ? -0.082  -27.042 -22.007 1.00 65.23  ? 269 PHE   A CG   1 
ATOM   257  C  CD1  . PHE   A 1 24  ? 0.067   -28.395 -22.262 1.00 84.40  ? 269 PHE   A CD1  1 
ATOM   258  C  CD2  . PHE   A 1 24  ? 0.906   -26.386 -21.290 1.00 56.13  ? 269 PHE   A CD2  1 
ATOM   259  C  CE1  . PHE   A 1 24  ? 1.174   -29.084 -21.804 1.00 90.22  ? 269 PHE   A CE1  1 
ATOM   260  C  CE2  . PHE   A 1 24  ? 2.017   -27.069 -20.827 1.00 62.86  ? 269 PHE   A CE2  1 
ATOM   261  C  CZ   . PHE   A 1 24  ? 2.151   -28.419 -21.084 1.00 77.95  ? 269 PHE   A CZ   1 
ATOM   262  H  H    . PHE   A 1 24  ? -3.503  -24.868 -21.255 1.00 86.75  ? 269 PHE   A H    1 
ATOM   263  H  HA   . PHE   A 1 24  ? -2.952  -27.375 -21.985 1.00 82.54  ? 269 PHE   A HA   1 
ATOM   264  H  HB2  . PHE   A 1 24  ? -1.442  -26.578 -23.428 1.00 84.26  ? 269 PHE   A HB2  1 
ATOM   265  H  HB3  . PHE   A 1 24  ? -1.075  -25.350 -22.492 1.00 84.26  ? 269 PHE   A HB3  1 
ATOM   266  H  HD1  . PHE   A 1 24  ? -0.588  -28.846 -22.745 1.00 101.33 ? 269 PHE   A HD1  1 
ATOM   267  H  HD2  . PHE   A 1 24  ? 0.819   -25.477 -21.114 1.00 67.41  ? 269 PHE   A HD2  1 
ATOM   268  H  HE1  . PHE   A 1 24  ? 1.262   -29.993 -21.978 1.00 108.30 ? 269 PHE   A HE1  1 
ATOM   269  H  HE2  . PHE   A 1 24  ? 2.672   -26.619 -20.344 1.00 75.47  ? 269 PHE   A HE2  1 
ATOM   270  H  HZ   . PHE   A 1 24  ? 2.897   -28.880 -20.774 1.00 93.59  ? 269 PHE   A HZ   1 
ATOM   271  N  N    . MET   A 1 25  ? -2.521  -27.779 -19.607 1.00 70.57  ? 270 MET   A N    1 
ATOM   272  C  CA   . MET   A 1 25  ? -2.146  -28.020 -18.221 1.00 62.51  ? 270 MET   A CA   1 
ATOM   273  C  C    . MET   A 1 25  ? -0.823  -28.768 -18.184 1.00 60.16  ? 270 MET   A C    1 
ATOM   274  O  O    . MET   A 1 25  ? -0.653  -29.781 -18.869 1.00 67.23  ? 270 MET   A O    1 
ATOM   275  C  CB   . MET   A 1 25  ? -3.220  -28.819 -17.482 1.00 65.73  ? 270 MET   A CB   1 
ATOM   276  C  CG   . MET   A 1 25  ? -2.835  -29.165 -16.044 1.00 66.70  ? 270 MET   A CG   1 
ATOM   277  S  SD   . MET   A 1 25  ? -4.250  -29.328 -14.931 1.00 68.52  ? 270 MET   A SD   1 
ATOM   278  C  CE   . MET   A 1 25  ? -5.238  -30.542 -15.809 1.00 85.90  ? 270 MET   A CE   1 
ATOM   279  H  H    . MET   A 1 25  ? -2.942  -28.432 -19.975 1.00 84.73  ? 270 MET   A H    1 
ATOM   280  H  HA   . MET   A 1 25  ? -2.041  -27.169 -17.769 1.00 75.05  ? 270 MET   A HA   1 
ATOM   281  H  HB2  . MET   A 1 25  ? -4.037  -28.297 -17.455 1.00 78.93  ? 270 MET   A HB2  1 
ATOM   282  H  HB3  . MET   A 1 25  ? -3.375  -29.650 -17.957 1.00 78.93  ? 270 MET   A HB3  1 
ATOM   283  H  HG2  . MET   A 1 25  ? -2.358  -30.009 -16.043 1.00 80.08  ? 270 MET   A HG2  1 
ATOM   284  H  HG3  . MET   A 1 25  ? -2.264  -28.463 -15.696 1.00 80.08  ? 270 MET   A HG3  1 
ATOM   285  H  HE1  . MET   A 1 25  ? -6.045  -30.719 -15.300 1.00 103.13 ? 270 MET   A HE1  1 
ATOM   286  H  HE2  . MET   A 1 25  ? -5.468  -30.189 -16.683 1.00 103.13 ? 270 MET   A HE2  1 
ATOM   287  H  HE3  . MET   A 1 25  ? -4.722  -31.357 -15.906 1.00 103.13 ? 270 MET   A HE3  1 
ATOM   288  N  N    . SER   A 1 26  ? 0.110   -28.262 -17.388 1.00 67.89  ? 271 SER   A N    1 
ATOM   289  C  CA   . SER   A 1 26  ? 1.412   -28.892 -17.283 1.00 64.21  ? 271 SER   A CA   1 
ATOM   290  C  C    . SER   A 1 26  ? 1.286   -30.264 -16.635 1.00 58.18  ? 271 SER   A C    1 
ATOM   291  O  O    . SER   A 1 26  ? 0.296   -30.587 -15.973 1.00 68.25  ? 271 SER   A O    1 
ATOM   292  C  CB   . SER   A 1 26  ? 2.371   -28.020 -16.471 1.00 66.72  ? 271 SER   A CB   1 
ATOM   293  O  OG   . SER   A 1 26  ? 1.930   -27.882 -15.131 1.00 72.31  ? 271 SER   A OG   1 
ATOM   294  H  H    . SER   A 1 26  ? 0.013   -27.559 -16.901 1.00 81.52  ? 271 SER   A H    1 
ATOM   295  H  HA   . SER   A 1 26  ? 1.784   -29.008 -18.171 1.00 77.10  ? 271 SER   A HA   1 
ATOM   296  H  HB2  . SER   A 1 26  ? 3.249   -28.433 -16.473 1.00 80.11  ? 271 SER   A HB2  1 
ATOM   297  H  HB3  . SER   A 1 26  ? 2.419   -27.141 -16.879 1.00 80.11  ? 271 SER   A HB3  1 
ATOM   298  H  HG   . SER   A 1 26  ? 1.885   -28.636 -14.764 1.00 86.82  ? 271 SER   A HG   1 
ATOM   299  N  N    . ASN   A 1 27  ? 2.308   -31.084 -16.853 1.00 59.61  ? 272 ASN   A N    1 
ATOM   300  C  CA   . ASN   A 1 27  ? 2.434   -32.366 -16.177 1.00 66.36  ? 272 ASN   A CA   1 
ATOM   301  C  C    . ASN   A 1 27  ? 3.679   -32.415 -15.302 1.00 65.85  ? 272 ASN   A C    1 
ATOM   302  O  O    . ASN   A 1 27  ? 4.049   -33.493 -14.821 1.00 65.56  ? 272 ASN   A O    1 
ATOM   303  C  CB   . ASN   A 1 27  ? 2.440   -33.503 -17.201 1.00 75.13  ? 272 ASN   A CB   1 
ATOM   304  C  CG   . ASN   A 1 27  ? 1.127   -33.602 -17.965 1.00 79.14  ? 272 ASN   A CG   1 
ATOM   305  O  OD1  . ASN   A 1 27  ? 0.083   -33.911 -17.389 1.00 85.61  ? 272 ASN   A OD1  1 
ATOM   306  N  ND2  . ASN   A 1 27  ? 1.174   -33.338 -19.266 1.00 61.27  ? 272 ASN   A ND2  1 
ATOM   307  H  H    . ASN   A 1 27  ? 2.952   -30.915 -17.398 1.00 71.58  ? 272 ASN   A H    1 
ATOM   308  H  HA   . ASN   A 1 27  ? 1.663   -32.490 -15.601 1.00 79.68  ? 272 ASN   A HA   1 
ATOM   309  H  HB2  . ASN   A 1 27  ? 3.151   -33.349 -17.842 1.00 90.20  ? 272 ASN   A HB2  1 
ATOM   310  H  HB3  . ASN   A 1 27  ? 2.583   -34.344 -16.739 1.00 90.20  ? 272 ASN   A HB3  1 
ATOM   311  H  HD21 . ASN   A 1 27  ? 0.458   -33.381 -19.740 1.00 73.56  ? 272 ASN   A HD21 1 
ATOM   312  H  HD22 . ASN   A 1 27  ? 1.921   -33.125 -19.635 1.00 73.56  ? 272 ASN   A HD22 1 
ATOM   313  N  N    . SER   A 1 28  ? 4.341   -31.277 -15.105 1.00 61.60  ? 273 SER   A N    1 
ATOM   314  C  CA   . SER   A 1 28  ? 5.358   -31.100 -14.082 1.00 64.98  ? 273 SER   A CA   1 
ATOM   315  C  C    . SER   A 1 28  ? 5.014   -29.850 -13.280 1.00 57.38  ? 273 SER   A C    1 
ATOM   316  O  O    . SER   A 1 28  ? 4.114   -29.088 -13.641 1.00 66.37  ? 273 SER   A O    1 
ATOM   317  C  CB   . SER   A 1 28  ? 6.757   -30.979 -14.696 1.00 74.83  ? 273 SER   A CB   1 
ATOM   318  O  OG   . SER   A 1 28  ? 6.950   -29.688 -15.252 1.00 81.61  ? 273 SER   A OG   1 
ATOM   319  H  H    . SER   A 1 28  ? 4.210   -30.568 -15.574 1.00 73.97  ? 273 SER   A H    1 
ATOM   320  H  HA   . SER   A 1 28  ? 5.351   -31.862 -13.482 1.00 78.02  ? 273 SER   A HA   1 
ATOM   321  H  HB2  . SER   A 1 28  ? 7.421   -31.127 -14.003 1.00 89.84  ? 273 SER   A HB2  1 
ATOM   322  H  HB3  . SER   A 1 28  ? 6.854   -31.643 -15.396 1.00 89.84  ? 273 SER   A HB3  1 
ATOM   323  H  HG   . SER   A 1 28  ? 7.719   -29.631 -15.586 1.00 97.97  ? 273 SER   A HG   1 
ATOM   324  N  N    . GLN   A 1 29  ? 5.736   -29.631 -12.187 1.00 53.06  ? 274 GLN   A N    1 
ATOM   325  C  CA   . GLN   A 1 29  ? 5.441   -28.525 -11.291 1.00 56.67  ? 274 GLN   A CA   1 
ATOM   326  C  C    . GLN   A 1 29  ? 6.556   -27.485 -11.314 1.00 57.18  ? 274 GLN   A C    1 
ATOM   327  O  O    . GLN   A 1 29  ? 7.728   -27.805 -11.525 1.00 61.38  ? 274 GLN   A O    1 
ATOM   328  C  CB   . GLN   A 1 29  ? 5.229   -29.026 -9.863  1.00 66.50  ? 274 GLN   A CB   1 
ATOM   329  C  CG   . GLN   A 1 29  ? 4.142   -30.086 -9.748  1.00 66.24  ? 274 GLN   A CG   1 
ATOM   330  C  CD   . GLN   A 1 29  ? 3.828   -30.439 -8.312  1.00 69.79  ? 274 GLN   A CD   1 
ATOM   331  O  OE1  . GLN   A 1 29  ? 4.489   -31.286 -7.711  1.00 85.61  ? 274 GLN   A OE1  1 
ATOM   332  N  NE2  . GLN   A 1 29  ? 2.817   -29.785 -7.749  1.00 71.97  ? 274 GLN   A NE2  1 
ATOM   333  H  H    . GLN   A 1 29  ? 6.405   -30.112 -11.943 1.00 63.72  ? 274 GLN   A H    1 
ATOM   334  H  HA   . GLN   A 1 29  ? 4.623   -28.093 -11.581 1.00 68.05  ? 274 GLN   A HA   1 
ATOM   335  H  HB2  . GLN   A 1 29  ? 6.058   -29.414 -9.541  1.00 79.85  ? 274 GLN   A HB2  1 
ATOM   336  H  HB3  . GLN   A 1 29  ? 4.975   -28.277 -9.302  1.00 79.85  ? 274 GLN   A HB3  1 
ATOM   337  H  HG2  . GLN   A 1 29  ? 3.330   -29.752 -10.161 1.00 79.53  ? 274 GLN   A HG2  1 
ATOM   338  H  HG3  . GLN   A 1 29  ? 4.437   -30.893 -10.199 1.00 79.53  ? 274 GLN   A HG3  1 
ATOM   339  H  HE21 . GLN   A 1 29  ? 2.379   -29.199 -8.201  1.00 86.41  ? 274 GLN   A HE21 1 
ATOM   340  H  HE22 . GLN   A 1 29  ? 2.599   -29.950 -6.933  1.00 86.41  ? 274 GLN   A HE22 1 
ATOM   341  N  N    . ARG   A 1 30  ? 6.166   -26.231 -11.089 1.00 57.93  ? 275 ARG   A N    1 
ATOM   342  C  CA   . ARG   A 1 30  ? 7.084   -25.101 -11.102 1.00 52.82  ? 275 ARG   A CA   1 
ATOM   343  C  C    . ARG   A 1 30  ? 6.569   -24.042 -10.143 1.00 64.47  ? 275 ARG   A C    1 
ATOM   344  O  O    . ARG   A 1 30  ? 5.397   -24.049 -9.757  1.00 68.80  ? 275 ARG   A O    1 
ATOM   345  C  CB   . ARG   A 1 30  ? 7.215   -24.485 -12.498 1.00 63.77  ? 275 ARG   A CB   1 
ATOM   346  C  CG   . ARG   A 1 30  ? 8.018   -25.296 -13.490 1.00 65.45  ? 275 ARG   A CG   1 
ATOM   347  C  CD   . ARG   A 1 30  ? 8.201   -24.519 -14.789 1.00 58.49  ? 275 ARG   A CD   1 
ATOM   348  N  NE   . ARG   A 1 30  ? 8.912   -25.288 -15.806 1.00 66.42  ? 275 ARG   A NE   1 
ATOM   349  C  CZ   . ARG   A 1 30  ? 9.712   -24.761 -16.728 1.00 65.56  ? 275 ARG   A CZ   1 
ATOM   350  N  NH1  . ARG   A 1 30  ? 9.929   -23.452 -16.772 1.00 69.44  ? 275 ARG   A NH1  1 
ATOM   351  N  NH2  . ARG   A 1 30  ? 10.311  -25.551 -17.608 1.00 72.57  ? 275 ARG   A NH2  1 
ATOM   352  H  H    . ARG   A 1 30  ? 5.353   -26.008 -10.923 1.00 69.56  ? 275 ARG   A H    1 
ATOM   353  H  HA   . ARG   A 1 30  ? 7.961   -25.389 -10.806 1.00 63.43  ? 275 ARG   A HA   1 
ATOM   354  H  HB2  . ARG   A 1 30  ? 6.326   -24.370 -12.868 1.00 76.56  ? 275 ARG   A HB2  1 
ATOM   355  H  HB3  . ARG   A 1 30  ? 7.645   -23.620 -12.413 1.00 76.56  ? 275 ARG   A HB3  1 
ATOM   356  H  HG2  . ARG   A 1 30  ? 8.895   -25.485 -13.120 1.00 78.59  ? 275 ARG   A HG2  1 
ATOM   357  H  HG3  . ARG   A 1 30  ? 7.549   -26.121 -13.689 1.00 78.59  ? 275 ARG   A HG3  1 
ATOM   358  H  HD2  . ARG   A 1 30  ? 7.329   -24.286 -15.144 1.00 70.23  ? 275 ARG   A HD2  1 
ATOM   359  H  HD3  . ARG   A 1 30  ? 8.712   -23.715 -14.608 1.00 70.23  ? 275 ARG   A HD3  1 
ATOM   360  H  HE   . ARG   A 1 30  ? 8.806   -26.142 -15.809 1.00 79.74  ? 275 ARG   A HE   1 
ATOM   361  H  HH11 . ARG   A 1 30  ? 9.544   -22.934 -16.203 1.00 83.37  ? 275 ARG   A HH11 1 
ATOM   362  H  HH12 . ARG   A 1 30  ? 10.450  -23.122 -17.371 1.00 83.37  ? 275 ARG   A HH12 1 
ATOM   363  H  HH21 . ARG   A 1 30  ? 10.178  -26.400 -17.585 1.00 87.13  ? 275 ARG   A HH21 1 
ATOM   364  H  HH22 . ARG   A 1 30  ? 10.832  -25.213 -18.204 1.00 87.13  ? 275 ARG   A HH22 1 
ATOM   365  N  N    . ASN   A 1 31  ? 7.449   -23.113 -9.777  1.00 67.20  ? 276 ASN   A N    1 
ATOM   366  C  CA   . ASN   A 1 31  ? 6.979   -21.966 -9.019  1.00 70.72  ? 276 ASN   A CA   1 
ATOM   367  C  C    . ASN   A 1 31  ? 6.361   -20.948 -9.974  1.00 64.72  ? 276 ASN   A C    1 
ATOM   368  O  O    . ASN   A 1 31  ? 6.443   -21.074 -11.199 1.00 61.63  ? 276 ASN   A O    1 
ATOM   369  C  CB   . ASN   A 1 31  ? 8.109   -21.348 -8.190  1.00 65.64  ? 276 ASN   A CB   1 
ATOM   370  C  CG   . ASN   A 1 31  ? 9.044   -20.488 -9.011  1.00 74.83  ? 276 ASN   A CG   1 
ATOM   371  O  OD1  . ASN   A 1 31  ? 8.734   -19.339 -9.325  1.00 86.56  ? 276 ASN   A OD1  1 
ATOM   372  N  ND2  . ASN   A 1 31  ? 10.212  -21.029 -9.338  1.00 78.84  ? 276 ASN   A ND2  1 
ATOM   373  H  H    . ASN   A 1 31  ? 8.291   -23.124 -9.948  1.00 80.68  ? 276 ASN   A H    1 
ATOM   374  H  HA   . ASN   A 1 31  ? 6.286   -22.258 -8.406  1.00 84.91  ? 276 ASN   A HA   1 
ATOM   375  H  HB2  . ASN   A 1 31  ? 7.722   -20.791 -7.497  1.00 78.81  ? 276 ASN   A HB2  1 
ATOM   376  H  HB3  . ASN   A 1 31  ? 8.631   -22.060 -7.790  1.00 78.81  ? 276 ASN   A HB3  1 
ATOM   377  H  HD21 . ASN   A 1 31  ? 10.779  -20.580 -9.801  1.00 94.65  ? 276 ASN   A HD21 1 
ATOM   378  H  HD22 . ASN   A 1 31  ? 10.395  -21.834 -9.096  1.00 94.65  ? 276 ASN   A HD22 1 
ATOM   379  N  N    . TRP   A 1 32  ? 5.722   -19.929 -9.398  1.00 60.71  ? 277 TRP   A N    1 
ATOM   380  C  CA   . TRP   A 1 32  ? 4.876   -19.044 -10.194 1.00 67.46  ? 277 TRP   A CA   1 
ATOM   381  C  C    . TRP   A 1 32  ? 5.666   -18.366 -11.306 1.00 61.69  ? 277 TRP   A C    1 
ATOM   382  O  O    . TRP   A 1 32  ? 5.222   -18.319 -12.459 1.00 62.47  ? 277 TRP   A O    1 
ATOM   383  C  CB   . TRP   A 1 32  ? 4.217   -18.001 -9.295  1.00 55.83  ? 277 TRP   A CB   1 
ATOM   384  C  CG   . TRP   A 1 32  ? 3.093   -17.280 -9.969  1.00 54.28  ? 277 TRP   A CG   1 
ATOM   385  C  CD1  . TRP   A 1 32  ? 1.858   -17.779 -10.256 1.00 53.23  ? 277 TRP   A CD1  1 
ATOM   386  C  CD2  . TRP   A 1 32  ? 3.098   -15.926 -10.438 1.00 61.05  ? 277 TRP   A CD2  1 
ATOM   387  N  NE1  . TRP   A 1 32  ? 1.091   -16.823 -10.875 1.00 57.58  ? 277 TRP   A NE1  1 
ATOM   388  C  CE2  . TRP   A 1 32  ? 1.828   -15.675 -10.995 1.00 63.70  ? 277 TRP   A CE2  1 
ATOM   389  C  CE3  . TRP   A 1 32  ? 4.050   -14.901 -10.437 1.00 59.60  ? 277 TRP   A CE3  1 
ATOM   390  C  CZ2  . TRP   A 1 32  ? 1.486   -14.443 -11.547 1.00 60.79  ? 277 TRP   A CZ2  1 
ATOM   391  C  CZ3  . TRP   A 1 32  ? 3.710   -13.681 -10.986 1.00 53.34  ? 277 TRP   A CZ3  1 
ATOM   392  C  CH2  . TRP   A 1 32  ? 2.439   -13.461 -11.533 1.00 59.09  ? 277 TRP   A CH2  1 
ATOM   393  H  H    . TRP   A 1 32  ? 5.761   -19.732 -8.562  1.00 72.89  ? 277 TRP   A H    1 
ATOM   394  H  HA   . TRP   A 1 32  ? 4.172   -19.569 -10.606 1.00 80.99  ? 277 TRP   A HA   1 
ATOM   395  H  HB2  . TRP   A 1 32  ? 3.861   -18.443 -8.508  1.00 67.04  ? 277 TRP   A HB2  1 
ATOM   396  H  HB3  . TRP   A 1 32  ? 4.881   -17.344 -9.034  1.00 67.04  ? 277 TRP   A HB3  1 
ATOM   397  H  HD1  . TRP   A 1 32  ? 1.575   -18.644 -10.061 1.00 63.92  ? 277 TRP   A HD1  1 
ATOM   398  H  HE1  . TRP   A 1 32  ? 0.280   -16.927 -11.140 1.00 69.15  ? 277 TRP   A HE1  1 
ATOM   399  H  HE3  . TRP   A 1 32  ? 4.894   -15.039 -10.073 1.00 71.57  ? 277 TRP   A HE3  1 
ATOM   400  H  HZ2  . TRP   A 1 32  ? 0.645   -14.295 -11.914 1.00 73.00  ? 277 TRP   A HZ2  1 
ATOM   401  H  HZ3  . TRP   A 1 32  ? 4.335   -12.992 -10.990 1.00 64.06  ? 277 TRP   A HZ3  1 
ATOM   402  H  HH2  . TRP   A 1 32  ? 2.239   -12.629 -11.897 1.00 70.95  ? 277 TRP   A HH2  1 
ATOM   403  N  N    . HIS   A 1 33  ? 6.839   -17.826 -10.978 1.00 62.00  ? 278 HIS   A N    1 
ATOM   404  C  CA   . HIS   A 1 33  ? 7.633   -17.135 -11.988 1.00 65.01  ? 278 HIS   A CA   1 
ATOM   405  C  C    . HIS   A 1 33  ? 8.147   -18.111 -13.037 1.00 70.44  ? 278 HIS   A C    1 
ATOM   406  O  O    . HIS   A 1 33  ? 8.081   -17.835 -14.241 1.00 73.31  ? 278 HIS   A O    1 
ATOM   407  C  CB   . HIS   A 1 33  ? 8.787   -16.385 -11.324 1.00 83.83  ? 278 HIS   A CB   1 
ATOM   408  C  CG   . HIS   A 1 33  ? 8.342   -15.320 -10.370 1.00 94.37  ? 278 HIS   A CG   1 
ATOM   409  N  ND1  . HIS   A 1 33  ? 8.437   -15.457 -9.001  1.00 91.61  ? 278 HIS   A ND1  1 
ATOM   410  C  CD2  . HIS   A 1 33  ? 7.787   -14.104 -10.589 1.00 74.36  ? 278 HIS   A CD2  1 
ATOM   411  C  CE1  . HIS   A 1 33  ? 7.967   -14.369 -8.418  1.00 83.58  ? 278 HIS   A CE1  1 
ATOM   412  N  NE2  . HIS   A 1 33  ? 7.567   -13.532 -9.359  1.00 91.63  ? 278 HIS   A NE2  1 
ATOM   413  H  H    . HIS   A 1 33  ? 7.191   -17.845 -10.194 1.00 74.45  ? 278 HIS   A H    1 
ATOM   414  H  HA   . HIS   A 1 33  ? 7.072   -16.482 -12.436 1.00 78.05  ? 278 HIS   A HA   1 
ATOM   415  H  HB2  . HIS   A 1 33  ? 9.329   -17.020 -10.829 1.00 100.64 ? 278 HIS   A HB2  1 
ATOM   416  H  HB3  . HIS   A 1 33  ? 9.323   -15.962 -12.013 1.00 100.64 ? 278 HIS   A HB3  1 
ATOM   417  H  HD2  . HIS   A 1 33  ? 7.596   -13.725 -11.416 1.00 89.28  ? 278 HIS   A HD2  1 
ATOM   418  H  HE1  . HIS   A 1 33  ? 7.925   -14.217 -7.501  1.00 100.34 ? 278 HIS   A HE1  1 
ATOM   419  H  HE2  . HIS   A 1 33  ? 7.223   -12.755 -9.223  1.00 110.00 ? 278 HIS   A HE2  1 
ATOM   420  N  N    . ASP   A 1 34  ? 8.657   -19.265 -12.602 1.00 71.61  ? 279 ASP   A N    1 
ATOM   421  C  CA   . ASP   A 1 34  ? 9.076   -20.284 -13.558 1.00 76.96  ? 279 ASP   A CA   1 
ATOM   422  C  C    . ASP   A 1 34  ? 7.921   -20.760 -14.427 1.00 59.90  ? 279 ASP   A C    1 
ATOM   423  O  O    . ASP   A 1 34  ? 8.156   -21.261 -15.532 1.00 57.88  ? 279 ASP   A O    1 
ATOM   424  C  CB   . ASP   A 1 34  ? 9.696   -21.475 -12.826 1.00 81.33  ? 279 ASP   A CB   1 
ATOM   425  C  CG   . ASP   A 1 34  ? 11.054  -21.152 -12.240 1.00 79.15  ? 279 ASP   A CG   1 
ATOM   426  O  OD1  . ASP   A 1 34  ? 11.520  -20.007 -12.423 1.00 76.62  ? 279 ASP   A OD1  1 
ATOM   427  O  OD2  . ASP   A 1 34  ? 11.654  -22.042 -11.596 1.00 73.92  ? 279 ASP   A OD2  1 
ATOM   428  H  H    . ASP   A 1 34  ? 8.767   -19.477 -11.776 1.00 85.98  ? 279 ASP   A H    1 
ATOM   429  H  HA   . ASP   A 1 34  ? 9.752   -19.907 -14.142 1.00 92.39  ? 279 ASP   A HA   1 
ATOM   430  H  HB2  . ASP   A 1 34  ? 9.111   -21.740 -12.100 1.00 97.65  ? 279 ASP   A HB2  1 
ATOM   431  H  HB3  . ASP   A 1 34  ? 9.805   -22.209 -13.451 1.00 97.65  ? 279 ASP   A HB3  1 
ATOM   432  N  N    . SER   A 1 35  ? 6.682   -20.608 -13.958 1.00 61.60  ? 280 SER   A N    1 
ATOM   433  C  CA   . SER   A 1 35  ? 5.528   -21.058 -14.728 1.00 63.19  ? 280 SER   A CA   1 
ATOM   434  C  C    . SER   A 1 35  ? 5.231   -20.115 -15.886 1.00 66.23  ? 280 SER   A C    1 
ATOM   435  O  O    . SER   A 1 35  ? 5.097   -20.556 -17.033 1.00 74.79  ? 280 SER   A O    1 
ATOM   436  C  CB   . SER   A 1 35  ? 4.307   -21.190 -13.817 1.00 67.55  ? 280 SER   A CB   1 
ATOM   437  O  OG   . SER   A 1 35  ? 4.415   -22.337 -12.992 1.00 78.27  ? 280 SER   A OG   1 
ATOM   438  H  H    . SER   A 1 35  ? 6.486   -20.249 -13.201 1.00 73.96  ? 280 SER   A H    1 
ATOM   439  H  HA   . SER   A 1 35  ? 5.720   -21.934 -15.098 1.00 75.87  ? 280 SER   A HA   1 
ATOM   440  H  HB2  . SER   A 1 35  ? 4.245   -20.402 -13.255 1.00 81.11  ? 280 SER   A HB2  1 
ATOM   441  H  HB3  . SER   A 1 35  ? 3.511   -21.269 -14.365 1.00 81.11  ? 280 SER   A HB3  1 
ATOM   442  H  HG   . SER   A 1 35  ? 4.469   -23.028 -13.467 1.00 93.97  ? 280 SER   A HG   1 
ATOM   443  N  N    . ILE   A 1 36  ? 5.109   -18.813 -15.609 1.00 61.67  ? 281 ILE   A N    1 
ATOM   444  C  CA   . ILE   A 1 36  ? 4.915   -17.856 -16.697 1.00 71.71  ? 281 ILE   A CA   1 
ATOM   445  C  C    . ILE   A 1 36  ? 6.063   -17.959 -17.692 1.00 64.56  ? 281 ILE   A C    1 
ATOM   446  O  O    . ILE   A 1 36  ? 5.858   -17.877 -18.909 1.00 63.49  ? 281 ILE   A O    1 
ATOM   447  C  CB   . ILE   A 1 36  ? 4.748   -16.420 -16.153 1.00 69.53  ? 281 ILE   A CB   1 
ATOM   448  C  CG1  . ILE   A 1 36  ? 4.397   -15.438 -17.281 1.00 80.98  ? 281 ILE   A CG1  1 
ATOM   449  C  CG2  . ILE   A 1 36  ? 5.998   -15.938 -15.439 1.00 61.00  ? 281 ILE   A CG2  1 
ATOM   450  C  CD1  . ILE   A 1 36  ? 3.905   -14.056 -16.813 1.00 80.96  ? 281 ILE   A CD1  1 
ATOM   451  H  H    . ILE   A 1 36  ? 5.134   -18.468 -14.822 1.00 74.05  ? 281 ILE   A H    1 
ATOM   452  H  HA   . ILE   A 1 36  ? 4.099   -18.086 -17.168 1.00 86.10  ? 281 ILE   A HA   1 
ATOM   453  H  HB   . ILE   A 1 36  ? 4.018   -16.422 -15.515 1.00 83.48  ? 281 ILE   A HB   1 
ATOM   454  H  HG12 . ILE   A 1 36  ? 5.188   -15.297 -17.826 1.00 97.22  ? 281 ILE   A HG12 1 
ATOM   455  H  HG13 . ILE   A 1 36  ? 3.694   -15.830 -17.824 1.00 97.22  ? 281 ILE   A HG13 1 
ATOM   456  H  HG21 . ILE   A 1 36  ? 5.850   -15.036 -15.116 1.00 73.25  ? 281 ILE   A HG21 1 
ATOM   457  H  HG22 . ILE   A 1 36  ? 6.185   -16.531 -14.695 1.00 73.25  ? 281 ILE   A HG22 1 
ATOM   458  H  HG23 . ILE   A 1 36  ? 6.741   -15.947 -16.064 1.00 73.25  ? 281 ILE   A HG23 1 
ATOM   459  H  HD11 . ILE   A 1 36  ? 3.709   -13.511 -17.591 1.00 97.20  ? 281 ILE   A HD11 1 
ATOM   460  H  HD12 . ILE   A 1 36  ? 3.103   -14.171 -16.279 1.00 97.20  ? 281 ILE   A HD12 1 
ATOM   461  H  HD13 . ILE   A 1 36  ? 4.599   -13.638 -16.281 1.00 97.20  ? 281 ILE   A HD13 1 
ATOM   462  N  N    . THR   A 1 37  ? 7.286   -18.154 -17.198 1.00 60.24  ? 282 THR   A N    1 
ATOM   463  C  CA   . THR   A 1 37  ? 8.404   -18.426 -18.094 1.00 66.77  ? 282 THR   A CA   1 
ATOM   464  C  C    . THR   A 1 37  ? 8.087   -19.609 -19.000 1.00 58.30  ? 282 THR   A C    1 
ATOM   465  O  O    . THR   A 1 37  ? 8.250   -19.536 -20.222 1.00 60.95  ? 282 THR   A O    1 
ATOM   466  C  CB   . THR   A 1 37  ? 9.676   -18.696 -17.287 1.00 63.50  ? 282 THR   A CB   1 
ATOM   467  O  OG1  . THR   A 1 37  ? 9.877   -17.642 -16.339 1.00 66.72  ? 282 THR   A OG1  1 
ATOM   468  C  CG2  . THR   A 1 37  ? 10.892  -18.781 -18.206 1.00 55.26  ? 282 THR   A CG2  1 
ATOM   469  H  H    . THR   A 1 37  ? 7.491   -18.133 -16.363 1.00 72.34  ? 282 THR   A H    1 
ATOM   470  H  HA   . THR   A 1 37  ? 8.559   -17.649 -18.654 1.00 80.17  ? 282 THR   A HA   1 
ATOM   471  H  HB   . THR   A 1 37  ? 9.587   -19.540 -16.818 1.00 76.25  ? 282 THR   A HB   1 
ATOM   472  H  HG1  . THR   A 1 37  ? 9.223   -17.599 -15.814 1.00 80.11  ? 282 THR   A HG1  1 
ATOM   473  H  HG21 . THR   A 1 37  ? 11.691  -18.952 -17.683 1.00 66.36  ? 282 THR   A HG21 1 
ATOM   474  H  HG22 . THR   A 1 37  ? 10.774  -19.500 -18.846 1.00 66.36  ? 282 THR   A HG22 1 
ATOM   475  H  HG23 . THR   A 1 37  ? 11.003  -17.945 -18.687 1.00 66.36  ? 282 THR   A HG23 1 
ATOM   476  N  N    . ALA   A 1 38  ? 7.622   -20.710 -18.409 1.00 60.83  ? 283 ALA   A N    1 
ATOM   477  C  CA   . ALA   A 1 38  ? 7.309   -21.902 -19.189 1.00 60.58  ? 283 ALA   A CA   1 
ATOM   478  C  C    . ALA   A 1 38  ? 6.314   -21.587 -20.299 1.00 63.24  ? 283 ALA   A C    1 
ATOM   479  O  O    . ALA   A 1 38  ? 6.500   -21.996 -21.451 1.00 63.80  ? 283 ALA   A O    1 
ATOM   480  C  CB   . ALA   A 1 38  ? 6.763   -22.994 -18.270 1.00 69.61  ? 283 ALA   A CB   1 
ATOM   481  H  H    . ALA   A 1 38  ? 7.481   -20.791 -17.564 1.00 73.04  ? 283 ALA   A H    1 
ATOM   482  H  HA   . ALA   A 1 38  ? 8.123   -22.234 -19.600 1.00 72.74  ? 283 ALA   A HA   1 
ATOM   483  H  HB1  . ALA   A 1 38  ? 6.559   -23.780 -18.801 1.00 83.58  ? 283 ALA   A HB1  1 
ATOM   484  H  HB2  . ALA   A 1 38  ? 7.434   -23.210 -17.603 1.00 83.58  ? 283 ALA   A HB2  1 
ATOM   485  H  HB3  . ALA   A 1 38  ? 5.958   -22.669 -17.837 1.00 83.58  ? 283 ALA   A HB3  1 
ATOM   486  N  N    . CYS   A 1 39  ? 5.245   -20.859 -19.970 1.00 62.69  ? 284 CYS   A N    1 
ATOM   487  C  CA   . CYS   A 1 39  ? 4.248   -20.523 -20.981 1.00 60.97  ? 284 CYS   A CA   1 
ATOM   488  C  C    . CYS   A 1 39  ? 4.840   -19.618 -22.055 1.00 62.52  ? 284 CYS   A C    1 
ATOM   489  O  O    . CYS   A 1 39  ? 4.576   -19.808 -23.248 1.00 68.25  ? 284 CYS   A O    1 
ATOM   490  C  CB   . CYS   A 1 39  ? 3.034   -19.862 -20.328 1.00 64.87  ? 284 CYS   A CB   1 
ATOM   491  S  SG   . CYS   A 1 39  ? 2.139   -20.927 -19.169 1.00 67.86  ? 284 CYS   A SG   1 
ATOM   492  H  H    . CYS   A 1 39  ? 5.077   -20.554 -19.183 1.00 75.27  ? 284 CYS   A H    1 
ATOM   493  H  HA   . CYS   A 1 39  ? 3.949   -21.339 -21.411 1.00 73.20  ? 284 CYS   A HA   1 
ATOM   494  H  HB2  . CYS   A 1 39  ? 3.332   -19.079 -19.840 1.00 77.89  ? 284 CYS   A HB2  1 
ATOM   495  H  HB3  . CYS   A 1 39  ? 2.413   -19.597 -21.024 1.00 77.89  ? 284 CYS   A HB3  1 
ATOM   496  N  N    . LYS   A 1 40  ? 5.638   -18.625 -21.654 1.00 66.93  ? 285 LYS   A N    1 
ATOM   497  C  CA   . LYS   A 1 40  ? 6.323   -17.787 -22.633 1.00 64.56  ? 285 LYS   A CA   1 
ATOM   498  C  C    . LYS   A 1 40  ? 7.168   -18.631 -23.578 1.00 64.56  ? 285 LYS   A C    1 
ATOM   499  O  O    . LYS   A 1 40  ? 7.178   -18.395 -24.792 1.00 67.39  ? 285 LYS   A O    1 
ATOM   500  C  CB   . LYS   A 1 40  ? 7.192   -16.751 -21.921 1.00 56.70  ? 285 LYS   A CB   1 
ATOM   501  C  CG   . LYS   A 1 40  ? 6.420   -15.569 -21.360 1.00 61.84  ? 285 LYS   A CG   1 
ATOM   502  C  CD   . LYS   A 1 40  ? 7.282   -14.751 -20.408 1.00 70.22  ? 285 LYS   A CD   1 
ATOM   503  C  CE   . LYS   A 1 40  ? 6.571   -13.492 -19.936 1.00 78.04  ? 285 LYS   A CE   1 
ATOM   504  N  NZ   . LYS   A 1 40  ? 7.398   -12.271 -20.167 1.00 84.04  ? 285 LYS   A NZ   1 
ATOM   505  H  H    . LYS   A 1 40  ? 5.796   -18.421 -20.833 1.00 80.36  ? 285 LYS   A H    1 
ATOM   506  H  HA   . LYS   A 1 40  ? 5.662   -17.314 -23.162 1.00 77.52  ? 285 LYS   A HA   1 
ATOM   507  H  HB2  . LYS   A 1 40  ? 7.648   -17.183 -21.182 1.00 68.08  ? 285 LYS   A HB2  1 
ATOM   508  H  HB3  . LYS   A 1 40  ? 7.843   -16.406 -22.551 1.00 68.08  ? 285 LYS   A HB3  1 
ATOM   509  H  HG2  . LYS   A 1 40  ? 6.139   -14.994 -22.089 1.00 74.26  ? 285 LYS   A HG2  1 
ATOM   510  H  HG3  . LYS   A 1 40  ? 5.648   -15.893 -20.870 1.00 74.26  ? 285 LYS   A HG3  1 
ATOM   511  H  HD2  . LYS   A 1 40  ? 7.495   -15.288 -19.629 1.00 84.30  ? 285 LYS   A HD2  1 
ATOM   512  H  HD3  . LYS   A 1 40  ? 8.096   -14.485 -20.864 1.00 84.30  ? 285 LYS   A HD3  1 
ATOM   513  H  HE2  . LYS   A 1 40  ? 5.739   -13.392 -20.426 1.00 93.69  ? 285 LYS   A HE2  1 
ATOM   514  H  HE3  . LYS   A 1 40  ? 6.394   -13.563 -18.985 1.00 93.69  ? 285 LYS   A HE3  1 
ATOM   515  H  HZ1  . LYS   A 1 40  ? 6.960   -11.550 -19.883 1.00 100.90 ? 285 LYS   A HZ1  1 
ATOM   516  H  HZ2  . LYS   A 1 40  ? 8.167   -12.336 -19.724 1.00 100.90 ? 285 LYS   A HZ2  1 
ATOM   517  H  HZ3  . LYS   A 1 40  ? 7.571   -12.181 -21.036 1.00 100.90 ? 285 LYS   A HZ3  1 
ATOM   518  N  N    . GLU   A 1 41  ? 7.880   -19.626 -23.041 1.00 62.01  ? 286 GLU   A N    1 
ATOM   519  C  CA   . GLU   A 1 41  ? 8.730   -20.470 -23.874 1.00 70.83  ? 286 GLU   A CA   1 
ATOM   520  C  C    . GLU   A 1 41  ? 7.961   -21.082 -25.040 1.00 57.83  ? 286 GLU   A C    1 
ATOM   521  O  O    . GLU   A 1 41  ? 8.540   -21.328 -26.103 1.00 62.06  ? 286 GLU   A O    1 
ATOM   522  C  CB   . GLU   A 1 41  ? 9.369   -21.575 -23.027 1.00 62.18  ? 286 GLU   A CB   1 
ATOM   523  C  CG   . GLU   A 1 41  ? 10.566  -21.120 -22.202 1.00 74.18  ? 286 GLU   A CG   1 
ATOM   524  C  CD   . GLU   A 1 41  ? 11.210  -22.261 -21.428 1.00 94.11  ? 286 GLU   A CD   1 
ATOM   525  O  OE1  . GLU   A 1 41  ? 11.478  -23.316 -22.040 1.00 101.64 ? 286 GLU   A OE1  1 
ATOM   526  O  OE2  . GLU   A 1 41  ? 11.441  -22.108 -20.207 1.00 88.62  ? 286 GLU   A OE2  1 
ATOM   527  H  H    . GLU   A 1 41  ? 7.885   -19.830 -22.205 1.00 74.46  ? 286 GLU   A H    1 
ATOM   528  H  HA   . GLU   A 1 41  ? 9.445   -19.927 -24.243 1.00 85.04  ? 286 GLU   A HA   1 
ATOM   529  H  HB2  . GLU   A 1 41  ? 8.703   -21.920 -22.413 1.00 74.67  ? 286 GLU   A HB2  1 
ATOM   530  H  HB3  . GLU   A 1 41  ? 9.670   -22.284 -23.617 1.00 74.67  ? 286 GLU   A HB3  1 
ATOM   531  H  HG2  . GLU   A 1 41  ? 11.235  -20.745 -22.796 1.00 89.06  ? 286 GLU   A HG2  1 
ATOM   532  H  HG3  . GLU   A 1 41  ? 10.275  -20.451 -21.564 1.00 89.06  ? 286 GLU   A HG3  1 
ATOM   533  N  N    . VAL   A 1 42  ? 6.669   -21.342 -24.863 1.00 54.63  ? 287 VAL   A N    1 
ATOM   534  C  CA   . VAL   A 1 42  ? 5.837   -21.884 -25.928 1.00 55.64  ? 287 VAL   A CA   1 
ATOM   535  C  C    . VAL   A 1 42  ? 4.991   -20.789 -26.582 1.00 58.58  ? 287 VAL   A C    1 
ATOM   536  O  O    . VAL   A 1 42  ? 3.997   -21.085 -27.244 1.00 50.91  ? 287 VAL   A O    1 
ATOM   537  C  CB   . VAL   A 1 42  ? 4.955   -23.040 -25.426 1.00 59.57  ? 287 VAL   A CB   1 
ATOM   538  C  CG1  . VAL   A 1 42  ? 5.810   -24.142 -24.829 1.00 63.10  ? 287 VAL   A CG1  1 
ATOM   539  C  CG2  . VAL   A 1 42  ? 3.939   -22.554 -24.406 1.00 59.87  ? 287 VAL   A CG2  1 
ATOM   540  H  H    . VAL   A 1 42  ? 6.248   -21.212 -24.125 1.00 65.61  ? 287 VAL   A H    1 
ATOM   541  H  HA   . VAL   A 1 42  ? 6.420   -22.244 -26.615 1.00 66.81  ? 287 VAL   A HA   1 
ATOM   542  H  HB   . VAL   A 1 42  ? 4.469   -23.414 -26.178 1.00 71.53  ? 287 VAL   A HB   1 
ATOM   543  H  HG11 . VAL   A 1 42  ? 5.233   -24.858 -24.521 1.00 75.77  ? 287 VAL   A HG11 1 
ATOM   544  H  HG12 . VAL   A 1 42  ? 6.416   -24.475 -25.510 1.00 75.77  ? 287 VAL   A HG12 1 
ATOM   545  H  HG13 . VAL   A 1 42  ? 6.316   -23.781 -24.084 1.00 75.77  ? 287 VAL   A HG13 1 
ATOM   546  H  HG21 . VAL   A 1 42  ? 3.403   -23.307 -24.112 1.00 71.90  ? 287 VAL   A HG21 1 
ATOM   547  H  HG22 . VAL   A 1 42  ? 4.411   -22.168 -23.651 1.00 71.90  ? 287 VAL   A HG22 1 
ATOM   548  H  HG23 . VAL   A 1 42  ? 3.373   -21.884 -24.820 1.00 71.90  ? 287 VAL   A HG23 1 
ATOM   549  N  N    . GLY   A 1 43  ? 5.373   -19.529 -26.409 1.00 66.69  ? 288 GLY   A N    1 
ATOM   550  C  CA   . GLY   A 1 43  ? 4.598   -18.442 -26.983 1.00 70.17  ? 288 GLY   A CA   1 
ATOM   551  C  C    . GLY   A 1 43  ? 3.190   -18.376 -26.439 1.00 72.42  ? 288 GLY   A C    1 
ATOM   552  O  O    . GLY   A 1 43  ? 2.252   -18.054 -27.179 1.00 79.12  ? 288 GLY   A O    1 
ATOM   553  H  H    . GLY   A 1 43  ? 6.069   -19.280 -25.969 1.00 80.07  ? 288 GLY   A H    1 
ATOM   554  H  HA2  . GLY   A 1 43  ? 5.039   -17.598 -26.795 1.00 84.25  ? 288 GLY   A HA2  1 
ATOM   555  H  HA3  . GLY   A 1 43  ? 4.549   -18.554 -27.945 1.00 84.25  ? 288 GLY   A HA3  1 
ATOM   556  N  N    . ALA   A 1 44  ? 3.021   -18.685 -25.157 1.00 63.31  ? 289 ALA   A N    1 
ATOM   557  C  CA   . ALA   A 1 44  ? 1.733   -18.625 -24.487 1.00 62.40  ? 289 ALA   A CA   1 
ATOM   558  C  C    . ALA   A 1 44  ? 1.889   -17.813 -23.207 1.00 69.20  ? 289 ALA   A C    1 
ATOM   559  O  O    . ALA   A 1 44  ? 2.963   -17.278 -22.910 1.00 70.35  ? 289 ALA   A O    1 
ATOM   560  C  CB   . ALA   A 1 44  ? 1.195   -20.031 -24.192 1.00 60.60  ? 289 ALA   A CB   1 
ATOM   561  H  H    . ALA   A 1 44  ? 3.660   -18.940 -24.641 1.00 76.01  ? 289 ALA   A H    1 
ATOM   562  H  HA   . ALA   A 1 44  ? 1.095   -18.170 -25.060 1.00 74.92  ? 289 ALA   A HA   1 
ATOM   563  H  HB1  . ALA   A 1 44  ? 0.337   -19.954 -23.747 1.00 72.77  ? 289 ALA   A HB1  1 
ATOM   564  H  HB2  . ALA   A 1 44  ? 1.092   -20.511 -25.029 1.00 72.77  ? 289 ALA   A HB2  1 
ATOM   565  H  HB3  . ALA   A 1 44  ? 1.826   -20.496 -23.620 1.00 72.77  ? 289 ALA   A HB3  1 
ATOM   566  N  N    . GLN   A 1 45  ? 0.806   -17.727 -22.441 1.00 61.04  ? 290 GLN   A N    1 
ATOM   567  C  CA   . GLN   A 1 45  ? 0.779   -16.935 -21.221 1.00 68.01  ? 290 GLN   A CA   1 
ATOM   568  C  C    . GLN   A 1 45  ? 0.136   -17.741 -20.105 1.00 69.13  ? 290 GLN   A C    1 
ATOM   569  O  O    . GLN   A 1 45  ? -0.853  -18.446 -20.328 1.00 66.55  ? 290 GLN   A O    1 
ATOM   570  C  CB   . GLN   A 1 45  ? 0.001   -15.633 -21.431 1.00 59.74  ? 290 GLN   A CB   1 
ATOM   571  C  CG   . GLN   A 1 45  ? 0.197   -14.597 -20.340 1.00 65.60  ? 290 GLN   A CG   1 
ATOM   572  C  CD   . GLN   A 1 45  ? -0.620  -13.343 -20.588 1.00 65.47  ? 290 GLN   A CD   1 
ATOM   573  O  OE1  . GLN   A 1 45  ? -0.075  -12.241 -20.678 1.00 64.30  ? 290 GLN   A OE1  1 
ATOM   574  N  NE2  . GLN   A 1 45  ? -1.936  -13.505 -20.699 1.00 53.95  ? 290 GLN   A NE2  1 
ATOM   575  H  H    . GLN   A 1 45  ? 0.063   -18.125 -22.611 1.00 73.29  ? 290 GLN   A H    1 
ATOM   576  H  HA   . GLN   A 1 45  ? 1.686   -16.714 -20.958 1.00 81.65  ? 290 GLN   A HA   1 
ATOM   577  H  HB2  . GLN   A 1 45  ? 0.285   -15.234 -22.269 1.00 71.74  ? 290 GLN   A HB2  1 
ATOM   578  H  HB3  . GLN   A 1 45  ? -0.946  -15.840 -21.473 1.00 71.74  ? 290 GLN   A HB3  1 
ATOM   579  H  HG2  . GLN   A 1 45  ? -0.080  -14.975 -19.490 1.00 78.77  ? 290 GLN   A HG2  1 
ATOM   580  H  HG3  . GLN   A 1 45  ? 1.133   -14.346 -20.305 1.00 78.77  ? 290 GLN   A HG3  1 
ATOM   581  H  HE21 . GLN   A 1 45  ? -2.280  -14.290 -20.631 1.00 64.79  ? 290 GLN   A HE21 1 
ATOM   582  H  HE22 . GLN   A 1 45  ? -2.443  -12.824 -20.840 1.00 64.79  ? 290 GLN   A HE22 1 
ATOM   583  N  N    . LEU   A 1 46  ? 0.708   -17.643 -18.907 1.00 59.03  ? 291 LEU   A N    1 
ATOM   584  C  CA   . LEU   A 1 46  ? 0.038   -18.167 -17.726 1.00 59.25  ? 291 LEU   A CA   1 
ATOM   585  C  C    . LEU   A 1 46  ? -1.380  -17.617 -17.686 1.00 60.41  ? 291 LEU   A C    1 
ATOM   586  O  O    . LEU   A 1 46  ? -1.583  -16.399 -17.711 1.00 61.67  ? 291 LEU   A O    1 
ATOM   587  C  CB   . LEU   A 1 46  ? 0.818   -17.783 -16.465 1.00 57.99  ? 291 LEU   A CB   1 
ATOM   588  C  CG   . LEU   A 1 46  ? 0.461   -18.487 -15.151 1.00 60.34  ? 291 LEU   A CG   1 
ATOM   589  C  CD1  . LEU   A 1 46  ? 0.654   -19.989 -15.257 1.00 64.41  ? 291 LEU   A CD1  1 
ATOM   590  C  CD2  . LEU   A 1 46  ? 1.303   -17.935 -14.009 1.00 64.33  ? 291 LEU   A CD2  1 
ATOM   591  H  H    . LEU   A 1 46  ? 1.473   -17.282 -18.755 1.00 70.89  ? 291 LEU   A H    1 
ATOM   592  H  HA   . LEU   A 1 46  ? -0.007  -19.135 -17.779 1.00 71.14  ? 291 LEU   A HA   1 
ATOM   593  H  HB2  . LEU   A 1 46  ? 1.757   -17.958 -16.632 1.00 69.63  ? 291 LEU   A HB2  1 
ATOM   594  H  HB3  . LEU   A 1 46  ? 0.694   -16.833 -16.318 1.00 69.63  ? 291 LEU   A HB3  1 
ATOM   595  H  HG   . LEU   A 1 46  ? -0.472  -18.319 -14.945 1.00 72.46  ? 291 LEU   A HG   1 
ATOM   596  H  HD11 . LEU   A 1 46  ? 0.419   -20.398 -14.409 1.00 77.33  ? 291 LEU   A HD11 1 
ATOM   597  H  HD12 . LEU   A 1 46  ? 0.080   -20.332 -15.960 1.00 77.33  ? 291 LEU   A HD12 1 
ATOM   598  H  HD13 . LEU   A 1 46  ? 1.583   -20.174 -15.468 1.00 77.33  ? 291 LEU   A HD13 1 
ATOM   599  H  HD21 . LEU   A 1 46  ? 1.062   -18.393 -13.189 1.00 77.25  ? 291 LEU   A HD21 1 
ATOM   600  H  HD22 . LEU   A 1 46  ? 2.241   -18.084 -14.208 1.00 77.25  ? 291 LEU   A HD22 1 
ATOM   601  H  HD23 . LEU   A 1 46  ? 1.130   -16.985 -13.920 1.00 77.25  ? 291 LEU   A HD23 1 
ATOM   602  N  N    . VAL   A 1 47  ? -2.358  -18.523 -17.646 1.00 61.58  ? 292 VAL   A N    1 
ATOM   603  C  CA   . VAL   A 1 47  ? -3.720  -18.181 -18.039 1.00 60.90  ? 292 VAL   A CA   1 
ATOM   604  C  C    . VAL   A 1 47  ? -4.198  -16.912 -17.354 1.00 52.96  ? 292 VAL   A C    1 
ATOM   605  O  O    . VAL   A 1 47  ? -4.014  -16.717 -16.147 1.00 57.35  ? 292 VAL   A O    1 
ATOM   606  C  CB   . VAL   A 1 47  ? -4.675  -19.350 -17.741 1.00 53.26  ? 292 VAL   A CB   1 
ATOM   607  C  CG1  . VAL   A 1 47  ? -4.600  -19.744 -16.283 1.00 63.36  ? 292 VAL   A CG1  1 
ATOM   608  C  CG2  . VAL   A 1 47  ? -6.093  -18.968 -18.108 1.00 47.00  ? 292 VAL   A CG2  1 
ATOM   609  H  H    . VAL   A 1 47  ? -2.257  -19.340 -17.395 1.00 73.95  ? 292 VAL   A H    1 
ATOM   610  H  HA   . VAL   A 1 47  ? -3.737  -18.023 -18.996 1.00 73.12  ? 292 VAL   A HA   1 
ATOM   611  H  HB   . VAL   A 1 47  ? -4.419  -20.116 -18.277 1.00 63.96  ? 292 VAL   A HB   1 
ATOM   612  H  HG11 . VAL   A 1 47  ? -5.210  -20.481 -16.124 1.00 76.08  ? 292 VAL   A HG11 1 
ATOM   613  H  HG12 . VAL   A 1 47  ? -3.692  -20.016 -16.076 1.00 76.08  ? 292 VAL   A HG12 1 
ATOM   614  H  HG13 . VAL   A 1 47  ? -4.850  -18.983 -15.737 1.00 76.08  ? 292 VAL   A HG13 1 
ATOM   615  H  HG21 . VAL   A 1 47  ? -6.681  -19.714 -17.914 1.00 56.45  ? 292 VAL   A HG21 1 
ATOM   616  H  HG22 . VAL   A 1 47  ? -6.356  -18.194 -17.585 1.00 56.45  ? 292 VAL   A HG22 1 
ATOM   617  H  HG23 . VAL   A 1 47  ? -6.128  -18.755 -19.054 1.00 56.45  ? 292 VAL   A HG23 1 
ATOM   618  N  N    . VAL   A 1 48  ? -4.826  -16.045 -18.143 1.00 50.96  ? 293 VAL   A N    1 
ATOM   619  C  CA   . VAL   A 1 48  ? -5.598  -14.910 -17.652 1.00 56.35  ? 293 VAL   A CA   1 
ATOM   620  C  C    . VAL   A 1 48  ? -7.057  -15.168 -18.002 1.00 53.33  ? 293 VAL   A C    1 
ATOM   621  O  O    . VAL   A 1 48  ? -7.409  -15.295 -19.181 1.00 53.21  ? 293 VAL   A O    1 
ATOM   622  C  CB   . VAL   A 1 48  ? -5.113  -13.583 -18.257 1.00 51.60  ? 293 VAL   A CB   1 
ATOM   623  C  CG1  . VAL   A 1 48  ? -6.066  -12.451 -17.900 1.00 46.09  ? 293 VAL   A CG1  1 
ATOM   624  C  CG2  . VAL   A 1 48  ? -3.712  -13.257 -17.773 1.00 54.99  ? 293 VAL   A CG2  1 
ATOM   625  H  H    . VAL   A 1 48  ? -4.818  -16.099 -19.002 1.00 61.20  ? 293 VAL   A H    1 
ATOM   626  H  HA   . VAL   A 1 48  ? -5.517  -14.856 -16.687 1.00 67.66  ? 293 VAL   A HA   1 
ATOM   627  H  HB   . VAL   A 1 48  ? -5.088  -13.664 -19.223 1.00 61.97  ? 293 VAL   A HB   1 
ATOM   628  H  HG11 . VAL   A 1 48  ? -5.738  -11.627 -18.293 1.00 55.35  ? 293 VAL   A HG11 1 
ATOM   629  H  HG12 . VAL   A 1 48  ? -6.947  -12.658 -18.251 1.00 55.35  ? 293 VAL   A HG12 1 
ATOM   630  H  HG13 . VAL   A 1 48  ? -6.107  -12.365 -16.935 1.00 55.35  ? 293 VAL   A HG13 1 
ATOM   631  H  HG21 . VAL   A 1 48  ? -3.429  -12.417 -18.168 1.00 66.03  ? 293 VAL   A HG21 1 
ATOM   632  H  HG22 . VAL   A 1 48  ? -3.721  -13.182 -16.806 1.00 66.03  ? 293 VAL   A HG22 1 
ATOM   633  H  HG23 . VAL   A 1 48  ? -3.111  -13.969 -18.044 1.00 66.03  ? 293 VAL   A HG23 1 
ATOM   634  N  N    . ILE   A 1 49  ? -7.902  -15.243 -16.984 1.00 61.63  ? 294 ILE   A N    1 
ATOM   635  C  CA   . ILE   A 1 49  ? -9.322  -15.501 -17.185 1.00 59.19  ? 294 ILE   A CA   1 
ATOM   636  C  C    . ILE   A 1 49  ? -10.014 -14.209 -17.593 1.00 62.13  ? 294 ILE   A C    1 
ATOM   637  O  O    . ILE   A 1 49  ? -9.795  -13.151 -16.990 1.00 64.59  ? 294 ILE   A O    1 
ATOM   638  C  CB   . ILE   A 1 49  ? -9.946  -16.088 -15.907 1.00 56.44  ? 294 ILE   A CB   1 
ATOM   639  C  CG1  . ILE   A 1 49  ? -9.170  -17.330 -15.460 1.00 54.20  ? 294 ILE   A CG1  1 
ATOM   640  C  CG2  . ILE   A 1 49  ? -11.401 -16.435 -16.152 1.00 62.65  ? 294 ILE   A CG2  1 
ATOM   641  C  CD1  . ILE   A 1 49  ? -9.613  -17.882 -14.120 1.00 60.81  ? 294 ILE   A CD1  1 
ATOM   642  H  H    . ILE   A 1 49  ? -7.677  -15.148 -16.160 1.00 74.00  ? 294 ILE   A H    1 
ATOM   643  H  HA   . ILE   A 1 49  ? -9.432  -16.145 -17.901 1.00 71.08  ? 294 ILE   A HA   1 
ATOM   644  H  HB   . ILE   A 1 49  ? -9.899  -15.422 -15.204 1.00 67.77  ? 294 ILE   A HB   1 
ATOM   645  H  HG12 . ILE   A 1 49  ? -9.291  -18.029 -16.122 1.00 65.09  ? 294 ILE   A HG12 1 
ATOM   646  H  HG13 . ILE   A 1 49  ? -8.230  -17.103 -15.390 1.00 65.09  ? 294 ILE   A HG13 1 
ATOM   647  H  HG21 . ILE   A 1 49  ? -11.778 -16.804 -15.338 1.00 75.23  ? 294 ILE   A HG21 1 
ATOM   648  H  HG22 . ILE   A 1 49  ? -11.879 -15.630 -16.404 1.00 75.23  ? 294 ILE   A HG22 1 
ATOM   649  H  HG23 . ILE   A 1 49  ? -11.453 -17.089 -16.867 1.00 75.23  ? 294 ILE   A HG23 1 
ATOM   650  H  HD11 . ILE   A 1 49  ? -9.078  -18.663 -13.908 1.00 73.01  ? 294 ILE   A HD11 1 
ATOM   651  H  HD12 . ILE   A 1 49  ? -9.488  -17.201 -13.441 1.00 73.01  ? 294 ILE   A HD12 1 
ATOM   652  H  HD13 . ILE   A 1 49  ? -10.550 -18.128 -14.174 1.00 73.01  ? 294 ILE   A HD13 1 
ATOM   653  N  N    . LYS   A 1 50  ? -10.863 -14.296 -18.620 1.00 61.01  ? 295 LYS   A N    1 
ATOM   654  C  CA   . LYS   A 1 50  ? -11.591 -13.138 -19.127 1.00 60.85  ? 295 LYS   A CA   1 
ATOM   655  C  C    . LYS   A 1 50  ? -13.103 -13.315 -19.171 1.00 69.76  ? 295 LYS   A C    1 
ATOM   656  O  O    . LYS   A 1 50  ? -13.813 -12.311 -19.313 1.00 72.80  ? 295 LYS   A O    1 
ATOM   657  C  CB   . LYS   A 1 50  ? -11.105 -12.781 -20.539 1.00 52.97  ? 295 LYS   A CB   1 
ATOM   658  C  CG   . LYS   A 1 50  ? -9.619  -12.454 -20.631 1.00 60.61  ? 295 LYS   A CG   1 
ATOM   659  C  CD   . LYS   A 1 50  ? -9.277  -11.149 -19.930 1.00 61.69  ? 295 LYS   A CD   1 
ATOM   660  C  CE   . LYS   A 1 50  ? -7.891  -10.661 -20.312 1.00 43.72  ? 295 LYS   A CE   1 
ATOM   661  N  NZ   . LYS   A 1 50  ? -7.432  -9.550  -19.432 1.00 62.28  ? 295 LYS   A NZ   1 
ATOM   662  H  H    . LYS   A 1 50  ? -11.034 -15.025 -19.043 1.00 73.26  ? 295 LYS   A H    1 
ATOM   663  H  HA   . LYS   A 1 50  ? -11.402 -12.380 -18.552 1.00 73.06  ? 295 LYS   A HA   1 
ATOM   664  H  HB2  . LYS   A 1 50  ? -11.278 -13.534 -21.126 1.00 63.62  ? 295 LYS   A HB2  1 
ATOM   665  H  HB3  . LYS   A 1 50  ? -11.597 -12.005 -20.850 1.00 63.62  ? 295 LYS   A HB3  1 
ATOM   666  H  HG2  . LYS   A 1 50  ? -9.110  -13.165 -20.211 1.00 72.77  ? 295 LYS   A HG2  1 
ATOM   667  H  HG3  . LYS   A 1 50  ? -9.368  -12.370 -21.564 1.00 72.77  ? 295 LYS   A HG3  1 
ATOM   668  H  HD2  . LYS   A 1 50  ? -9.920  -10.470 -20.186 1.00 74.07  ? 295 LYS   A HD2  1 
ATOM   669  H  HD3  . LYS   A 1 50  ? -9.298  -11.286 -18.970 1.00 74.07  ? 295 LYS   A HD3  1 
ATOM   670  H  HE2  . LYS   A 1 50  ? -7.260  -11.394 -20.228 1.00 52.50  ? 295 LYS   A HE2  1 
ATOM   671  H  HE3  . LYS   A 1 50  ? -7.907  -10.337 -21.226 1.00 52.50  ? 295 LYS   A HE3  1 
ATOM   672  H  HZ1  . LYS   A 1 50  ? -6.619  -9.284  -19.677 1.00 74.78  ? 295 LYS   A HZ1  1 
ATOM   673  H  HZ2  . LYS   A 1 50  ? -7.993  -8.862  -19.495 1.00 74.78  ? 295 LYS   A HZ2  1 
ATOM   674  H  HZ3  . LYS   A 1 50  ? -7.404  -9.825  -18.586 1.00 74.78  ? 295 LYS   A HZ3  1 
ATOM   675  N  N    . SER   A 1 51  ? -13.621 -14.537 -19.061 1.00 72.83  ? 296 SER   A N    1 
ATOM   676  C  CA   . SER   A 1 51  ? -15.053 -14.795 -19.094 1.00 68.47  ? 296 SER   A CA   1 
ATOM   677  C  C    . SER   A 1 51  ? -15.451 -15.620 -17.882 1.00 63.45  ? 296 SER   A C    1 
ATOM   678  O  O    . SER   A 1 51  ? -14.617 -16.267 -17.246 1.00 60.55  ? 296 SER   A O    1 
ATOM   679  C  CB   . SER   A 1 51  ? -15.457 -15.536 -20.372 1.00 74.26  ? 296 SER   A CB   1 
ATOM   680  O  OG   . SER   A 1 51  ? -15.230 -14.722 -21.513 1.00 89.35  ? 296 SER   A OG   1 
ATOM   681  H  H    . SER   A 1 51  ? -13.148 -15.249 -18.965 1.00 87.44  ? 296 SER   A H    1 
ATOM   682  H  HA   . SER   A 1 51  ? -15.533 -13.952 -19.063 1.00 82.21  ? 296 SER   A HA   1 
ATOM   683  H  HB2  . SER   A 1 51  ? -14.926 -16.345 -20.450 1.00 89.16  ? 296 SER   A HB2  1 
ATOM   684  H  HB3  . SER   A 1 51  ? -16.400 -15.759 -20.325 1.00 89.16  ? 296 SER   A HB3  1 
ATOM   685  H  HG   . SER   A 1 51  ? -15.454 -15.136 -22.209 1.00 107.27 ? 296 SER   A HG   1 
ATOM   686  N  N    . ALA   A 1 52  ? -16.746 -15.593 -17.566 1.00 71.10  ? 297 ALA   A N    1 
ATOM   687  C  CA   . ALA   A 1 52  ? -17.258 -16.453 -16.505 1.00 62.95  ? 297 ALA   A CA   1 
ATOM   688  C  C    . ALA   A 1 52  ? -17.156 -17.918 -16.904 1.00 70.84  ? 297 ALA   A C    1 
ATOM   689  O  O    . ALA   A 1 52  ? -16.712 -18.759 -16.114 1.00 60.19  ? 297 ALA   A O    1 
ATOM   690  C  CB   . ALA   A 1 52  ? -18.705 -16.089 -16.177 1.00 60.67  ? 297 ALA   A CB   1 
ATOM   691  H  H    . ALA   A 1 52  ? -17.337 -15.096 -17.944 1.00 85.37  ? 297 ALA   A H    1 
ATOM   692  H  HA   . ALA   A 1 52  ? -16.725 -16.321 -15.705 1.00 75.58  ? 297 ALA   A HA   1 
ATOM   693  H  HB1  . ALA   A 1 52  ? -19.024 -16.672 -15.470 1.00 72.85  ? 297 ALA   A HB1  1 
ATOM   694  H  HB2  . ALA   A 1 52  ? -18.739 -15.165 -15.885 1.00 72.85  ? 297 ALA   A HB2  1 
ATOM   695  H  HB3  . ALA   A 1 52  ? -19.247 -16.206 -16.972 1.00 72.85  ? 297 ALA   A HB3  1 
ATOM   696  N  N    . GLU   A 1 53  ? -17.555 -18.241 -18.139 1.00 79.46  ? 298 GLU   A N    1 
ATOM   697  C  CA   . GLU   A 1 53  ? -17.521 -19.627 -18.593 1.00 67.09  ? 298 GLU   A CA   1 
ATOM   698  C  C    . GLU   A 1 53  ? -16.094 -20.147 -18.689 1.00 62.86  ? 298 GLU   A C    1 
ATOM   699  O  O    . GLU   A 1 53  ? -15.856 -21.338 -18.455 1.00 67.88  ? 298 GLU   A O    1 
ATOM   700  C  CB   . GLU   A 1 53  ? -18.220 -19.762 -19.946 1.00 72.97  ? 298 GLU   A CB   1 
ATOM   701  C  CG   . GLU   A 1 53  ? -19.628 -19.182 -19.999 1.00 79.83  ? 298 GLU   A CG   1 
ATOM   702  C  CD   . GLU   A 1 53  ? -19.645 -17.712 -20.386 1.00 105.36 ? 298 GLU   A CD   1 
ATOM   703  O  OE1  . GLU   A 1 53  ? -18.886 -16.924 -19.779 1.00 98.49  ? 298 GLU   A OE1  1 
ATOM   704  O  OE2  . GLU   A 1 53  ? -20.409 -17.347 -21.306 1.00 118.78 ? 298 GLU   A OE2  1 
ATOM   705  H  H    . GLU   A 1 53  ? -17.845 -17.681 -18.723 1.00 95.39  ? 298 GLU   A H    1 
ATOM   706  H  HA   . GLU   A 1 53  ? -17.998 -20.179 -17.953 1.00 80.55  ? 298 GLU   A HA   1 
ATOM   707  H  HB2  . GLU   A 1 53  ? -17.689 -19.304 -20.616 1.00 87.61  ? 298 GLU   A HB2  1 
ATOM   708  H  HB3  . GLU   A 1 53  ? -18.283 -20.704 -20.168 1.00 87.61  ? 298 GLU   A HB3  1 
ATOM   709  H  HG2  . GLU   A 1 53  ? -20.147 -19.671 -20.657 1.00 95.84  ? 298 GLU   A HG2  1 
ATOM   710  H  HG3  . GLU   A 1 53  ? -20.038 -19.266 -19.124 1.00 95.84  ? 298 GLU   A HG3  1 
ATOM   711  N  N    . GLU   A 1 54  ? -15.139 -19.281 -19.033 1.00 54.03  ? 299 GLU   A N    1 
ATOM   712  C  CA   . GLU   A 1 54  ? -13.737 -19.684 -19.018 1.00 54.34  ? 299 GLU   A CA   1 
ATOM   713  C  C    . GLU   A 1 54  ? -13.328 -20.162 -17.629 1.00 71.55  ? 299 GLU   A C    1 
ATOM   714  O  O    . GLU   A 1 54  ? -12.694 -21.214 -17.478 1.00 67.99  ? 299 GLU   A O    1 
ATOM   715  C  CB   . GLU   A 1 54  ? -12.857 -18.519 -19.471 1.00 61.78  ? 299 GLU   A CB   1 
ATOM   716  C  CG   . GLU   A 1 54  ? -11.380 -18.857 -19.608 1.00 60.72  ? 299 GLU   A CG   1 
ATOM   717  C  CD   . GLU   A 1 54  ? -10.560 -17.678 -20.110 1.00 60.35  ? 299 GLU   A CD   1 
ATOM   718  O  OE1  . GLU   A 1 54  ? -9.514  -17.904 -20.755 1.00 50.49  ? 299 GLU   A OE1  1 
ATOM   719  O  OE2  . GLU   A 1 54  ? -10.968 -16.522 -19.865 1.00 59.67  ? 299 GLU   A OE2  1 
ATOM   720  H  H    . GLU   A 1 54  ? -15.275 -18.467 -19.275 1.00 64.88  ? 299 GLU   A H    1 
ATOM   721  H  HA   . GLU   A 1 54  ? -13.610 -20.418 -19.640 1.00 65.25  ? 299 GLU   A HA   1 
ATOM   722  H  HB2  . GLU   A 1 54  ? -13.170 -18.212 -20.336 1.00 74.18  ? 299 GLU   A HB2  1 
ATOM   723  H  HB3  . GLU   A 1 54  ? -12.935 -17.802 -18.822 1.00 74.18  ? 299 GLU   A HB3  1 
ATOM   724  H  HG2  . GLU   A 1 54  ? -11.033 -19.119 -18.741 1.00 72.91  ? 299 GLU   A HG2  1 
ATOM   725  H  HG3  . GLU   A 1 54  ? -11.279 -19.585 -20.241 1.00 72.91  ? 299 GLU   A HG3  1 
ATOM   726  N  N    . GLN   A 1 55  ? -13.691 -19.395 -16.597 1.00 59.69  ? 300 GLN   A N    1 
ATOM   727  C  CA   . GLN   A 1 55  ? -13.415 -19.786 -15.219 1.00 51.05  ? 300 GLN   A CA   1 
ATOM   728  C  C    . GLN   A 1 55  ? -13.946 -21.183 -14.928 1.00 55.97  ? 300 GLN   A C    1 
ATOM   729  O  O    . GLN   A 1 55  ? -13.193 -22.084 -14.545 1.00 59.00  ? 300 GLN   A O    1 
ATOM   730  C  CB   . GLN   A 1 55  ? -14.028 -18.752 -14.265 1.00 61.37  ? 300 GLN   A CB   1 
ATOM   731  C  CG   . GLN   A 1 55  ? -14.482 -19.262 -12.886 1.00 70.92  ? 300 GLN   A CG   1 
ATOM   732  C  CD   . GLN   A 1 55  ? -13.341 -19.742 -12.006 1.00 65.77  ? 300 GLN   A CD   1 
ATOM   733  O  OE1  . GLN   A 1 55  ? -12.168 -19.507 -12.302 1.00 68.67  ? 300 GLN   A OE1  1 
ATOM   734  N  NE2  . GLN   A 1 55  ? -13.682 -20.405 -10.906 1.00 58.47  ? 300 GLN   A NE2  1 
ATOM   735  H  H    . GLN   A 1 55  ? -14.099 -18.642 -16.672 1.00 71.67  ? 300 GLN   A H    1 
ATOM   736  H  HA   . GLN   A 1 55  ? -12.455 -19.793 -15.078 1.00 61.31  ? 300 GLN   A HA   1 
ATOM   737  H  HB2  . GLN   A 1 55  ? -13.370 -18.056 -14.111 1.00 73.69  ? 300 GLN   A HB2  1 
ATOM   738  H  HB3  . GLN   A 1 55  ? -14.805 -18.366 -14.698 1.00 73.69  ? 300 GLN   A HB3  1 
ATOM   739  H  HG2  . GLN   A 1 55  ? -14.934 -18.542 -12.419 1.00 85.15  ? 300 GLN   A HG2  1 
ATOM   740  H  HG3  . GLN   A 1 55  ? -15.091 -20.006 -13.013 1.00 85.15  ? 300 GLN   A HG3  1 
ATOM   741  H  HE21 . GLN   A 1 55  ? -14.512 -20.548 -10.731 1.00 70.21  ? 300 GLN   A HE21 1 
ATOM   742  H  HE22 . GLN   A 1 55  ? -13.074 -20.697 -10.373 1.00 70.21  ? 300 GLN   A HE22 1 
ATOM   743  N  N    . ASN   A 1 56  ? -15.255 -21.380 -15.106 1.00 61.80  ? 301 ASN   A N    1 
ATOM   744  C  CA   . ASN   A 1 56  ? -15.858 -22.664 -14.765 1.00 60.42  ? 301 ASN   A CA   1 
ATOM   745  C  C    . ASN   A 1 56  ? -15.221 -23.789 -15.569 1.00 61.92  ? 301 ASN   A C    1 
ATOM   746  O  O    . ASN   A 1 56  ? -15.048 -24.906 -15.064 1.00 64.66  ? 301 ASN   A O    1 
ATOM   747  C  CB   . ASN   A 1 56  ? -17.369 -22.622 -15.006 1.00 52.18  ? 301 ASN   A CB   1 
ATOM   748  C  CG   . ASN   A 1 56  ? -18.033 -21.402 -14.385 1.00 67.17  ? 301 ASN   A CG   1 
ATOM   749  O  OD1  . ASN   A 1 56  ? -18.245 -20.396 -15.056 1.00 83.23  ? 301 ASN   A OD1  1 
ATOM   750  N  ND2  . ASN   A 1 56  ? -18.371 -21.490 -13.104 1.00 63.72  ? 301 ASN   A ND2  1 
ATOM   751  H  H    . ASN   A 1 56  ? -15.804 -20.796 -15.417 1.00 74.21  ? 301 ASN   A H    1 
ATOM   752  H  HA   . ASN   A 1 56  ? -15.708 -22.845 -13.824 1.00 72.55  ? 301 ASN   A HA   1 
ATOM   753  H  HB2  . ASN   A 1 56  ? -17.536 -22.601 -15.962 1.00 62.66  ? 301 ASN   A HB2  1 
ATOM   754  H  HB3  . ASN   A 1 56  ? -17.773 -23.414 -14.617 1.00 62.66  ? 301 ASN   A HB3  1 
ATOM   755  H  HD21 . ASN   A 1 56  ? -18.750 -20.825 -12.712 1.00 76.51  ? 301 ASN   A HD21 1 
ATOM   756  H  HD22 . ASN   A 1 56  ? -18.209 -22.212 -12.665 1.00 76.51  ? 301 ASN   A HD22 1 
ATOM   757  N  N    . PHE   A 1 57  ? -14.861 -23.513 -16.822 1.00 51.21  ? 302 PHE   A N    1 
ATOM   758  C  CA   . PHE   A 1 57  ? -14.160 -24.503 -17.631 1.00 55.65  ? 302 PHE   A CA   1 
ATOM   759  C  C    . PHE   A 1 57  ? -12.843 -24.898 -16.976 1.00 60.34  ? 302 PHE   A C    1 
ATOM   760  O  O    . PHE   A 1 57  ? -12.628 -26.064 -16.627 1.00 57.79  ? 302 PHE   A O    1 
ATOM   761  C  CB   . PHE   A 1 57  ? -13.922 -23.950 -19.037 1.00 61.34  ? 302 PHE   A CB   1 
ATOM   762  C  CG   . PHE   A 1 57  ? -13.156 -24.884 -19.935 1.00 66.28  ? 302 PHE   A CG   1 
ATOM   763  C  CD1  . PHE   A 1 57  ? -13.816 -25.848 -20.679 1.00 64.65  ? 302 PHE   A CD1  1 
ATOM   764  C  CD2  . PHE   A 1 57  ? -11.777 -24.796 -20.037 1.00 66.69  ? 302 PHE   A CD2  1 
ATOM   765  C  CE1  . PHE   A 1 57  ? -13.118 -26.706 -21.504 1.00 52.11  ? 302 PHE   A CE1  1 
ATOM   766  C  CE2  . PHE   A 1 57  ? -11.073 -25.653 -20.862 1.00 61.87  ? 302 PHE   A CE2  1 
ATOM   767  C  CZ   . PHE   A 1 57  ? -11.746 -26.609 -21.596 1.00 58.58  ? 302 PHE   A CZ   1 
ATOM   768  H  H    . PHE   A 1 57  ? -15.010 -22.766 -17.222 1.00 61.50  ? 302 PHE   A H    1 
ATOM   769  H  HA   . PHE   A 1 57  ? -14.710 -25.298 -17.707 1.00 66.83  ? 302 PHE   A HA   1 
ATOM   770  H  HB2  . PHE   A 1 57  ? -14.781 -23.776 -19.454 1.00 73.65  ? 302 PHE   A HB2  1 
ATOM   771  H  HB3  . PHE   A 1 57  ? -13.417 -23.125 -18.967 1.00 73.65  ? 302 PHE   A HB3  1 
ATOM   772  H  HD1  . PHE   A 1 57  ? -14.742 -25.919 -20.621 1.00 77.62  ? 302 PHE   A HD1  1 
ATOM   773  H  HD2  . PHE   A 1 57  ? -11.320 -24.153 -19.544 1.00 80.07  ? 302 PHE   A HD2  1 
ATOM   774  H  HE1  . PHE   A 1 57  ? -13.572 -27.349 -21.998 1.00 62.58  ? 302 PHE   A HE1  1 
ATOM   775  H  HE2  . PHE   A 1 57  ? -10.147 -25.585 -20.922 1.00 74.29  ? 302 PHE   A HE2  1 
ATOM   776  H  HZ   . PHE   A 1 57  ? -11.274 -27.186 -22.152 1.00 70.34  ? 302 PHE   A HZ   1 
ATOM   777  N  N    . LEU   A 1 58  ? -11.950 -23.924 -16.787 1.00 59.74  ? 303 LEU   A N    1 
ATOM   778  C  CA   . LEU   A 1 58  ? -10.644 -24.211 -16.202 1.00 59.74  ? 303 LEU   A CA   1 
ATOM   779  C  C    . LEU   A 1 58  ? -10.774 -24.770 -14.790 1.00 55.56  ? 303 LEU   A C    1 
ATOM   780  O  O    . LEU   A 1 58  ? -10.096 -25.744 -14.437 1.00 54.28  ? 303 LEU   A O    1 
ATOM   781  C  CB   . LEU   A 1 58  ? -9.795  -22.944 -16.197 1.00 59.46  ? 303 LEU   A CB   1 
ATOM   782  C  CG   . LEU   A 1 58  ? -9.561  -22.357 -17.584 1.00 56.38  ? 303 LEU   A CG   1 
ATOM   783  C  CD1  . LEU   A 1 58  ? -9.055  -20.938 -17.466 1.00 55.35  ? 303 LEU   A CD1  1 
ATOM   784  C  CD2  . LEU   A 1 58  ? -8.579  -23.223 -18.360 1.00 73.85  ? 303 LEU   A CD2  1 
ATOM   785  H  H    . LEU   A 1 58  ? -12.077 -23.097 -16.987 1.00 71.73  ? 303 LEU   A H    1 
ATOM   786  H  HA   . LEU   A 1 58  ? -10.192 -24.873 -16.747 1.00 71.74  ? 303 LEU   A HA   1 
ATOM   787  H  HB2  . LEU   A 1 58  ? -10.242 -22.270 -15.661 1.00 71.40  ? 303 LEU   A HB2  1 
ATOM   788  H  HB3  . LEU   A 1 58  ? -8.929  -23.150 -15.812 1.00 71.40  ? 303 LEU   A HB3  1 
ATOM   789  H  HG   . LEU   A 1 58  ? -10.401 -22.340 -18.070 1.00 67.70  ? 303 LEU   A HG   1 
ATOM   790  H  HD11 . LEU   A 1 58  ? -8.911  -20.580 -18.356 1.00 66.47  ? 303 LEU   A HD11 1 
ATOM   791  H  HD12 . LEU   A 1 58  ? -9.716  -20.405 -16.997 1.00 66.47  ? 303 LEU   A HD12 1 
ATOM   792  H  HD13 . LEU   A 1 58  ? -8.220  -20.941 -16.972 1.00 66.47  ? 303 LEU   A HD13 1 
ATOM   793  H  HD21 . LEU   A 1 58  ? -8.443  -22.835 -19.238 1.00 88.67  ? 303 LEU   A HD21 1 
ATOM   794  H  HD22 . LEU   A 1 58  ? -7.738  -23.255 -17.878 1.00 88.67  ? 303 LEU   A HD22 1 
ATOM   795  H  HD23 . LEU   A 1 58  ? -8.947  -24.117 -18.446 1.00 88.67  ? 303 LEU   A HD23 1 
ATOM   796  N  N    . GLN   A 1 59  ? -11.631 -24.164 -13.964 1.00 56.04  ? 304 GLN   A N    1 
ATOM   797  C  CA   . GLN   A 1 59  ? -11.838 -24.672 -12.612 1.00 61.56  ? 304 GLN   A CA   1 
ATOM   798  C  C    . GLN   A 1 59  ? -12.225 -26.142 -12.624 1.00 66.34  ? 304 GLN   A C    1 
ATOM   799  O  O    . GLN   A 1 59  ? -11.887 -26.883 -11.693 1.00 61.01  ? 304 GLN   A O    1 
ATOM   800  C  CB   . GLN   A 1 59  ? -12.917 -23.855 -11.899 1.00 52.44  ? 304 GLN   A CB   1 
ATOM   801  C  CG   . GLN   A 1 59  ? -12.977 -24.087 -10.399 1.00 56.17  ? 304 GLN   A CG   1 
ATOM   802  C  CD   . GLN   A 1 59  ? -11.799 -23.465 -9.668  1.00 67.45  ? 304 GLN   A CD   1 
ATOM   803  O  OE1  . GLN   A 1 59  ? -11.705 -22.244 -9.544  1.00 64.87  ? 304 GLN   A OE1  1 
ATOM   804  N  NE2  . GLN   A 1 59  ? -10.891 -24.305 -9.185  1.00 68.23  ? 304 GLN   A NE2  1 
ATOM   805  H  H    . GLN   A 1 59  ? -12.097 -23.469 -14.161 1.00 67.29  ? 304 GLN   A H    1 
ATOM   806  H  HA   . GLN   A 1 59  ? -11.012 -24.582 -12.110 1.00 73.92  ? 304 GLN   A HA   1 
ATOM   807  H  HB2  . GLN   A 1 59  ? -12.743 -22.912 -12.046 1.00 62.97  ? 304 GLN   A HB2  1 
ATOM   808  H  HB3  . GLN   A 1 59  ? -13.782 -24.091 -12.269 1.00 62.97  ? 304 GLN   A HB3  1 
ATOM   809  H  HG2  . GLN   A 1 59  ? -13.791 -23.692 -10.049 1.00 67.45  ? 304 GLN   A HG2  1 
ATOM   810  H  HG3  . GLN   A 1 59  ? -12.969 -25.041 -10.225 1.00 67.45  ? 304 GLN   A HG3  1 
ATOM   811  H  HE21 . GLN   A 1 59  ? -10.990 -25.152 -9.292  1.00 81.92  ? 304 GLN   A HE21 1 
ATOM   812  H  HE22 . GLN   A 1 59  ? -10.206 -24.001 -8.764  1.00 81.92  ? 304 GLN   A HE22 1 
ATOM   813  N  N    . LEU   A 1 60  ? -12.931 -26.584 -13.668 1.00 66.06  ? 305 LEU   A N    1 
ATOM   814  C  CA   . LEU   A 1 60  ? -13.347 -27.978 -13.752 1.00 65.39  ? 305 LEU   A CA   1 
ATOM   815  C  C    . LEU   A 1 60  ? -12.185 -28.883 -14.146 1.00 63.79  ? 305 LEU   A C    1 
ATOM   816  O  O    . LEU   A 1 60  ? -11.941 -29.906 -13.498 1.00 58.89  ? 305 LEU   A O    1 
ATOM   817  C  CB   . LEU   A 1 60  ? -14.501 -28.119 -14.744 1.00 58.52  ? 305 LEU   A CB   1 
ATOM   818  C  CG   . LEU   A 1 60  ? -14.974 -29.550 -15.013 1.00 57.25  ? 305 LEU   A CG   1 
ATOM   819  C  CD1  . LEU   A 1 60  ? -15.358 -30.248 -13.727 1.00 56.79  ? 305 LEU   A CD1  1 
ATOM   820  C  CD2  . LEU   A 1 60  ? -16.144 -29.548 -15.975 1.00 60.78  ? 305 LEU   A CD2  1 
ATOM   821  H  H    . LEU   A 1 60  ? -13.177 -26.098 -14.333 1.00 79.32  ? 305 LEU   A H    1 
ATOM   822  H  HA   . LEU   A 1 60  ? -13.666 -28.264 -12.881 1.00 78.51  ? 305 LEU   A HA   1 
ATOM   823  H  HB2  . LEU   A 1 60  ? -15.261 -27.621 -14.404 1.00 70.27  ? 305 LEU   A HB2  1 
ATOM   824  H  HB3  . LEU   A 1 60  ? -14.222 -27.742 -15.593 1.00 70.27  ? 305 LEU   A HB3  1 
ATOM   825  H  HG   . LEU   A 1 60  ? -14.251 -30.051 -15.421 1.00 68.75  ? 305 LEU   A HG   1 
ATOM   826  H  HD11 . LEU   A 1 60  ? -15.651 -31.149 -13.933 1.00 68.19  ? 305 LEU   A HD11 1 
ATOM   827  H  HD12 . LEU   A 1 60  ? -14.585 -30.277 -13.142 1.00 68.19  ? 305 LEU   A HD12 1 
ATOM   828  H  HD13 . LEU   A 1 60  ? -16.076 -29.754 -13.303 1.00 68.19  ? 305 LEU   A HD13 1 
ATOM   829  H  HD21 . LEU   A 1 60  ? -16.426 -30.463 -16.130 1.00 72.98  ? 305 LEU   A HD21 1 
ATOM   830  H  HD22 . LEU   A 1 60  ? -16.872 -29.038 -15.586 1.00 72.98  ? 305 LEU   A HD22 1 
ATOM   831  H  HD23 . LEU   A 1 60  ? -15.864 -29.142 -16.810 1.00 72.98  ? 305 LEU   A HD23 1 
ATOM   832  N  N    . GLN   A 1 61  ? -11.456 -28.524 -15.208 1.00 64.24  ? 306 GLN   A N    1 
ATOM   833  C  CA   . GLN   A 1 61  ? -10.319 -29.340 -15.622 1.00 57.54  ? 306 GLN   A CA   1 
ATOM   834  C  C    . GLN   A 1 61  ? -9.307  -29.473 -14.490 1.00 62.15  ? 306 GLN   A C    1 
ATOM   835  O  O    . GLN   A 1 61  ? -8.740  -30.551 -14.274 1.00 60.16  ? 306 GLN   A O    1 
ATOM   836  C  CB   . GLN   A 1 61  ? -9.643  -28.741 -16.860 1.00 55.36  ? 306 GLN   A CB   1 
ATOM   837  C  CG   . GLN   A 1 61  ? -10.565 -28.157 -17.929 1.00 59.67  ? 306 GLN   A CG   1 
ATOM   838  C  CD   . GLN   A 1 61  ? -11.664 -29.104 -18.377 1.00 61.96  ? 306 GLN   A CD   1 
ATOM   839  O  OE1  . GLN   A 1 61  ? -11.429 -30.291 -18.609 1.00 55.71  ? 306 GLN   A OE1  1 
ATOM   840  N  NE2  . GLN   A 1 61  ? -12.876 -28.576 -18.512 1.00 59.57  ? 306 GLN   A NE2  1 
ATOM   841  H  H    . GLN   A 1 61  ? -11.598 -27.828 -15.693 1.00 77.13  ? 306 GLN   A H    1 
ATOM   842  H  HA   . GLN   A 1 61  ? -10.633 -30.228 -15.851 1.00 69.09  ? 306 GLN   A HA   1 
ATOM   843  H  HB2  . GLN   A 1 61  ? -9.054  -28.027 -16.568 1.00 66.48  ? 306 GLN   A HB2  1 
ATOM   844  H  HB3  . GLN   A 1 61  ? -9.116  -29.436 -17.284 1.00 66.48  ? 306 GLN   A HB3  1 
ATOM   845  H  HG2  . GLN   A 1 61  ? -10.988 -27.359 -17.575 1.00 71.66  ? 306 GLN   A HG2  1 
ATOM   846  H  HG3  . GLN   A 1 61  ? -10.034 -27.930 -18.709 1.00 71.66  ? 306 GLN   A HG3  1 
ATOM   847  H  HE21 . GLN   A 1 61  ? -13.003 -27.742 -18.342 1.00 71.53  ? 306 GLN   A HE21 1 
ATOM   848  H  HE22 . GLN   A 1 61  ? -13.534 -29.068 -18.764 1.00 71.53  ? 306 GLN   A HE22 1 
ATOM   849  N  N    . SER   A 1 62  ? -9.069  -28.385 -13.754 1.00 57.58  ? 307 SER   A N    1 
ATOM   850  C  CA   A SER   A 1 62  ? -8.085  -28.415 -12.678 0.64 74.00  ? 307 SER   A CA   1 
ATOM   851  C  CA   B SER   A 1 62  ? -8.086  -28.413 -12.676 0.36 75.34  ? 307 SER   A CA   1 
ATOM   852  C  C    . SER   A 1 62  ? -8.533  -29.328 -11.542 1.00 70.65  ? 307 SER   A C    1 
ATOM   853  O  O    . SER   A 1 62  ? -7.754  -30.155 -11.054 1.00 65.66  ? 307 SER   A O    1 
ATOM   854  C  CB   A SER   A 1 62  ? -7.832  -26.996 -12.163 0.64 74.48  ? 307 SER   A CB   1 
ATOM   855  C  CB   B SER   A 1 62  ? -7.841  -26.996 -12.155 0.36 72.55  ? 307 SER   A CB   1 
ATOM   856  O  OG   A SER   A 1 62  ? -9.048  -26.293 -11.969 0.64 70.13  ? 307 SER   A OG   1 
ATOM   857  O  OG   B SER   A 1 62  ? -7.298  -27.024 -10.845 0.36 70.96  ? 307 SER   A OG   1 
ATOM   858  H  H    A SER   A 1 62  ? -9.460  -27.626 -13.859 0.64 69.15  ? 307 SER   A H    1 
ATOM   859  H  H    B SER   A 1 62  ? -9.460  -27.626 -13.860 0.36 69.15  ? 307 SER   A H    1 
ATOM   860  H  HA   A SER   A 1 62  ? -7.248  -28.760 -13.026 0.64 88.85  ? 307 SER   A HA   1 
ATOM   861  H  HA   B SER   A 1 62  ? -7.246  -28.754 -13.023 0.36 90.45  ? 307 SER   A HA   1 
ATOM   862  H  HB2  A SER   A 1 62  ? -7.360  -27.049 -11.317 0.64 89.43  ? 307 SER   A HB2  1 
ATOM   863  H  HB2  B SER   A 1 62  ? -7.216  -26.546 -12.745 0.36 87.10  ? 307 SER   A HB2  1 
ATOM   864  H  HB3  A SER   A 1 62  ? -7.292  -26.518 -12.812 0.64 89.43  ? 307 SER   A HB3  1 
ATOM   865  H  HB3  B SER   A 1 62  ? -8.684  -26.517 -12.137 0.36 87.10  ? 307 SER   A HB3  1 
ATOM   866  H  HG   A SER   A 1 62  ? -9.467  -26.238 -12.694 0.64 84.20  ? 307 SER   A HG   1 
ATOM   867  H  HG   B SER   A 1 62  ? -6.566  -27.437 -10.845 0.36 85.19  ? 307 SER   A HG   1 
ATOM   868  N  N    . SER   A 1 63  ? -9.787  -29.189 -11.103 1.00 65.64  ? 308 SER   A N    1 
ATOM   869  C  CA   . SER   A 1 63  ? -10.263 -29.981 -9.972  1.00 67.58  ? 308 SER   A CA   1 
ATOM   870  C  C    . SER   A 1 63  ? -10.289 -31.466 -10.313 1.00 73.51  ? 308 SER   A C    1 
ATOM   871  O  O    . SER   A 1 63  ? -9.762  -32.296 -9.562  1.00 78.58  ? 308 SER   A O    1 
ATOM   872  C  CB   . SER   A 1 63  ? -11.650 -29.504 -9.543  1.00 67.52  ? 308 SER   A CB   1 
ATOM   873  O  OG   . SER   A 1 63  ? -12.663 -30.107 -10.326 1.00 80.73  ? 308 SER   A OG   1 
ATOM   874  H  H    . SER   A 1 63  ? -10.370 -28.652 -11.437 1.00 78.81  ? 308 SER   A H    1 
ATOM   875  H  HA   . SER   A 1 63  ? -9.659  -29.857 -9.224  1.00 81.14  ? 308 SER   A HA   1 
ATOM   876  H  HB2  . SER   A 1 63  ? -11.790 -29.739 -8.612  1.00 81.07  ? 308 SER   A HB2  1 
ATOM   877  H  HB3  . SER   A 1 63  ? -11.700 -28.541 -9.652  1.00 81.07  ? 308 SER   A HB3  1 
ATOM   878  H  HG   . SER   A 1 63  ? -13.419 -29.835 -10.078 1.00 96.93  ? 308 SER   A HG   1 
ATOM   879  N  N    . ARG   A 1 64  ? -10.896 -31.823 -11.447 1.00 71.69  ? 309 ARG   A N    1 
ATOM   880  C  CA   . ARG   A 1 64  ? -11.059 -33.229 -11.799 1.00 77.36  ? 309 ARG   A CA   1 
ATOM   881  C  C    . ARG   A 1 64  ? -9.733  -33.939 -12.038 1.00 74.98  ? 309 ARG   A C    1 
ATOM   882  O  O    . ARG   A 1 64  ? -9.712  -35.173 -12.083 1.00 88.46  ? 309 ARG   A O    1 
ATOM   883  C  CB   . ARG   A 1 64  ? -11.952 -33.361 -13.034 1.00 71.44  ? 309 ARG   A CB   1 
ATOM   884  C  CG   . ARG   A 1 64  ? -13.360 -32.810 -12.827 1.00 88.99  ? 309 ARG   A CG   1 
ATOM   885  C  CD   . ARG   A 1 64  ? -14.176 -33.640 -11.838 1.00 101.04 ? 309 ARG   A CD   1 
ATOM   886  N  NE   . ARG   A 1 64  ? -15.156 -34.496 -12.503 1.00 93.19  ? 309 ARG   A NE   1 
ATOM   887  C  CZ   . ARG   A 1 64  ? -16.054 -35.242 -11.867 1.00 95.22  ? 309 ARG   A CZ   1 
ATOM   888  N  NH1  . ARG   A 1 64  ? -16.107 -35.243 -10.541 1.00 114.63 ? 309 ARG   A NH1  1 
ATOM   889  N  NH2  . ARG   A 1 64  ? -16.905 -35.988 -12.556 1.00 86.58  ? 309 ARG   A NH2  1 
ATOM   890  H  H    . ARG   A 1 64  ? -11.219 -31.273 -12.024 1.00 86.07  ? 309 ARG   A H    1 
ATOM   891  H  HA   . ARG   A 1 64  ? -11.504 -33.681 -11.065 1.00 92.88  ? 309 ARG   A HA   1 
ATOM   892  H  HB2  . ARG   A 1 64  ? -11.547 -32.872 -13.768 1.00 85.77  ? 309 ARG   A HB2  1 
ATOM   893  H  HB3  . ARG   A 1 64  ? -12.031 -34.299 -13.266 1.00 85.77  ? 309 ARG   A HB3  1 
ATOM   894  H  HG2  . ARG   A 1 64  ? -13.298 -31.906 -12.481 1.00 106.83 ? 309 ARG   A HG2  1 
ATOM   895  H  HG3  . ARG   A 1 64  ? -13.827 -32.810 -13.677 1.00 106.83 ? 309 ARG   A HG3  1 
ATOM   896  H  HD2  . ARG   A 1 64  ? -13.576 -34.208 -11.329 1.00 121.29 ? 309 ARG   A HD2  1 
ATOM   897  H  HD3  . ARG   A 1 64  ? -14.654 -33.042 -11.242 1.00 121.29 ? 309 ARG   A HD3  1 
ATOM   898  H  HE   . ARG   A 1 64  ? -15.151 -34.519 -13.363 1.00 111.87 ? 309 ARG   A HE   1 
ATOM   899  H  HH11 . ARG   A 1 64  ? -15.558 -34.760 -10.088 1.00 137.61 ? 309 ARG   A HH11 1 
ATOM   900  H  HH12 . ARG   A 1 64  ? -16.690 -35.727 -10.134 1.00 137.61 ? 309 ARG   A HH12 1 
ATOM   901  H  HH21 . ARG   A 1 64  ? -16.875 -35.991 -13.416 1.00 103.94 ? 309 ARG   A HH21 1 
ATOM   902  H  HH22 . ARG   A 1 64  ? -17.486 -36.470 -12.145 1.00 103.94 ? 309 ARG   A HH22 1 
ATOM   903  N  N    . SER   A 1 65  ? -8.636  -33.204 -12.199 1.00 63.71  ? 310 SER   A N    1 
ATOM   904  C  CA   . SER   A 1 65  ? -7.311  -33.804 -12.223 1.00 70.04  ? 310 SER   A CA   1 
ATOM   905  C  C    . SER   A 1 65  ? -6.644  -33.773 -10.856 1.00 74.70  ? 310 SER   A C    1 
ATOM   906  O  O    . SER   A 1 65  ? -5.498  -34.219 -10.732 1.00 73.33  ? 310 SER   A O    1 
ATOM   907  C  CB   . SER   A 1 65  ? -6.421  -33.098 -13.255 1.00 79.28  ? 310 SER   A CB   1 
ATOM   908  O  OG   . SER   A 1 65  ? -6.177  -31.748 -12.900 1.00 78.26  ? 310 SER   A OG   1 
ATOM   909  H  H    . SER   A 1 65  ? -8.635  -32.350 -12.297 1.00 76.50  ? 310 SER   A H    1 
ATOM   910  H  HA   . SER   A 1 65  ? -7.395  -34.733 -12.490 1.00 84.10  ? 310 SER   A HA   1 
ATOM   911  H  HB2  . SER   A 1 65  ? -5.573  -33.566 -13.309 1.00 95.18  ? 310 SER   A HB2  1 
ATOM   912  H  HB3  . SER   A 1 65  ? -6.864  -33.120 -14.117 1.00 95.18  ? 310 SER   A HB3  1 
ATOM   913  H  HG   . SER   A 1 65  ? -6.903  -31.328 -12.851 1.00 93.96  ? 310 SER   A HG   1 
ATOM   914  N  N    . ASN   A 1 66  ? -7.336  -33.269 -9.835  1.00 66.66  ? 311 ASN   A N    1 
ATOM   915  C  CA   . ASN   A 1 66  ? -6.811  -33.193 -8.473  1.00 77.82  ? 311 ASN   A CA   1 
ATOM   916  C  C    . ASN   A 1 66  ? -5.393  -32.625 -8.471  1.00 73.03  ? 311 ASN   A C    1 
ATOM   917  O  O    . ASN   A 1 66  ? -4.428  -33.264 -8.047  1.00 60.21  ? 311 ASN   A O    1 
ATOM   918  C  CB   . ASN   A 1 66  ? -6.863  -34.564 -7.796  1.00 83.79  ? 311 ASN   A CB   1 
ATOM   919  C  CG   . ASN   A 1 66  ? -8.278  -34.984 -7.450  1.00 93.41  ? 311 ASN   A CG   1 
ATOM   920  O  OD1  . ASN   A 1 66  ? -8.803  -35.958 -7.993  1.00 89.30  ? 311 ASN   A OD1  1 
ATOM   921  N  ND2  . ASN   A 1 66  ? -8.907  -34.243 -6.541  1.00 100.25 ? 311 ASN   A ND2  1 
ATOM   922  H  H    . ASN   A 1 66  ? -8.133  -32.956 -9.909  1.00 80.04  ? 311 ASN   A H    1 
ATOM   923  H  HA   . ASN   A 1 66  ? -7.370  -32.590 -7.958  1.00 93.43  ? 311 ASN   A HA   1 
ATOM   924  H  HB2  . ASN   A 1 66  ? -6.491  -35.229 -8.396  1.00 100.60 ? 311 ASN   A HB2  1 
ATOM   925  H  HB3  . ASN   A 1 66  ? -6.349  -34.532 -6.974  1.00 100.60 ? 311 ASN   A HB3  1 
ATOM   926  H  HD21 . ASN   A 1 66  ? -9.712  -34.438 -6.309  1.00 120.35 ? 311 ASN   A HD21 1 
ATOM   927  H  HD22 . ASN   A 1 66  ? -8.508  -33.570 -6.184  1.00 120.35 ? 311 ASN   A HD22 1 
ATOM   928  N  N    . ARG   A 1 67  ? -5.291  -31.393 -8.964  1.00 73.80  ? 312 ARG   A N    1 
ATOM   929  C  CA   . ARG   A 1 67  ? -4.018  -30.700 -9.081  1.00 66.56  ? 312 ARG   A CA   1 
ATOM   930  C  C    . ARG   A 1 67  ? -4.192  -29.238 -8.708  1.00 74.56  ? 312 ARG   A C    1 
ATOM   931  O  O    . ARG   A 1 67  ? -5.084  -28.562 -9.229  1.00 70.27  ? 312 ARG   A O    1 
ATOM   932  C  CB   . ARG   A 1 67  ? -3.463  -30.798 -10.502 1.00 63.33  ? 312 ARG   A CB   1 
ATOM   933  C  CG   . ARG   A 1 67  ? -2.824  -32.127 -10.820 1.00 83.36  ? 312 ARG   A CG   1 
ATOM   934  C  CD   . ARG   A 1 67  ? -2.378  -32.186 -12.269 1.00 85.40  ? 312 ARG   A CD   1 
ATOM   935  N  NE   . ARG   A 1 67  ? -1.485  -33.313 -12.522 1.00 92.34  ? 312 ARG   A NE   1 
ATOM   936  C  CZ   . ARG   A 1 67  ? -0.982  -33.616 -13.714 1.00 92.01  ? 312 ARG   A CZ   1 
ATOM   937  N  NH1  . ARG   A 1 67  ? -1.283  -32.879 -14.777 1.00 74.21  ? 312 ARG   A NH1  1 
ATOM   938  N  NH2  . ARG   A 1 67  ? -0.177  -34.661 -13.845 1.00 95.20  ? 312 ARG   A NH2  1 
ATOM   939  H  H    . ARG   A 1 67  ? -5.961  -30.931 -9.241  1.00 88.61  ? 312 ARG   A H    1 
ATOM   940  H  HA   . ARG   A 1 67  ? -3.376  -31.098 -8.473  1.00 79.92  ? 312 ARG   A HA   1 
ATOM   941  H  HB2  . ARG   A 1 67  ? -4.189  -30.661 -11.131 1.00 76.04  ? 312 ARG   A HB2  1 
ATOM   942  H  HB3  . ARG   A 1 67  ? -2.791  -30.110 -10.623 1.00 76.04  ? 312 ARG   A HB3  1 
ATOM   943  H  HG2  . ARG   A 1 67  ? -2.046  -32.252 -10.255 1.00 100.08 ? 312 ARG   A HG2  1 
ATOM   944  H  HG3  . ARG   A 1 67  ? -3.468  -32.837 -10.669 1.00 100.08 ? 312 ARG   A HG3  1 
ATOM   945  H  HD2  . ARG   A 1 67  ? -3.157  -32.284 -12.838 1.00 102.53 ? 312 ARG   A HD2  1 
ATOM   946  H  HD3  . ARG   A 1 67  ? -1.904  -31.369 -12.489 1.00 102.53 ? 312 ARG   A HD3  1 
ATOM   947  H  HE   . ARG   A 1 67  ? -1.271  -33.812 -11.856 1.00 110.85 ? 312 ARG   A HE   1 
ATOM   948  H  HH11 . ARG   A 1 67  ? -1.805  -32.201 -14.697 1.00 89.10  ? 312 ARG   A HH11 1 
ATOM   949  H  HH12 . ARG   A 1 67  ? -0.955  -33.081 -15.547 1.00 89.10  ? 312 ARG   A HH12 1 
ATOM   950  H  HH21 . ARG   A 1 67  ? 0.019   -35.141 -13.159 1.00 114.29 ? 312 ARG   A HH21 1 
ATOM   951  H  HH22 . ARG   A 1 67  ? 0.148   -34.860 -14.616 1.00 114.29 ? 312 ARG   A HH22 1 
ATOM   952  N  N    . PHE   A 1 68  ? -3.341  -28.761 -7.805  1.00 75.20  ? 313 PHE   A N    1 
ATOM   953  C  CA   . PHE   A 1 68  ? -3.249  -27.336 -7.529  1.00 64.24  ? 313 PHE   A CA   1 
ATOM   954  C  C    . PHE   A 1 68  ? -2.498  -26.646 -8.662  1.00 65.48  ? 313 PHE   A C    1 
ATOM   955  O  O    . PHE   A 1 68  ? -1.357  -27.004 -8.972  1.00 60.92  ? 313 PHE   A O    1 
ATOM   956  C  CB   . PHE   A 1 68  ? -2.547  -27.098 -6.196  1.00 65.42  ? 313 PHE   A CB   1 
ATOM   957  C  CG   . PHE   A 1 68  ? -3.318  -27.600 -5.005  1.00 71.51  ? 313 PHE   A CG   1 
ATOM   958  C  CD1  . PHE   A 1 68  ? -4.583  -27.102 -4.718  1.00 73.81  ? 313 PHE   A CD1  1 
ATOM   959  C  CD2  . PHE   A 1 68  ? -2.774  -28.559 -4.164  1.00 66.40  ? 313 PHE   A CD2  1 
ATOM   960  C  CE1  . PHE   A 1 68  ? -5.294  -27.559 -3.620  1.00 63.19  ? 313 PHE   A CE1  1 
ATOM   961  C  CE2  . PHE   A 1 68  ? -3.478  -29.017 -3.065  1.00 64.92  ? 313 PHE   A CE2  1 
ATOM   962  C  CZ   . PHE   A 1 68  ? -4.740  -28.517 -2.792  1.00 59.00  ? 313 PHE   A CZ   1 
ATOM   963  H  H    . PHE   A 1 68  ? -2.805  -29.245 -7.338  1.00 90.29  ? 313 PHE   A H    1 
ATOM   964  H  HA   . PHE   A 1 68  ? -4.141  -26.958 -7.478  1.00 77.14  ? 313 PHE   A HA   1 
ATOM   965  H  HB2  . PHE   A 1 68  ? -1.691  -27.554 -6.208  1.00 78.55  ? 313 PHE   A HB2  1 
ATOM   966  H  HB3  . PHE   A 1 68  ? -2.410  -26.145 -6.080  1.00 78.55  ? 313 PHE   A HB3  1 
ATOM   967  H  HD1  . PHE   A 1 68  ? -4.959  -26.457 -5.273  1.00 88.62  ? 313 PHE   A HD1  1 
ATOM   968  H  HD2  . PHE   A 1 68  ? -1.927  -28.899 -4.342  1.00 79.73  ? 313 PHE   A HD2  1 
ATOM   969  H  HE1  . PHE   A 1 68  ? -6.141  -27.220 -3.439  1.00 75.87  ? 313 PHE   A HE1  1 
ATOM   970  H  HE2  . PHE   A 1 68  ? -3.104  -29.663 -2.510  1.00 77.95  ? 313 PHE   A HE2  1 
ATOM   971  H  HZ   . PHE   A 1 68  ? -5.214  -28.825 -2.054  1.00 70.85  ? 313 PHE   A HZ   1 
ATOM   972  N  N    . THR   A 1 69  ? -3.138  -25.649 -9.271  1.00 66.52  ? 314 THR   A N    1 
ATOM   973  C  CA   . THR   A 1 69  ? -2.707  -25.105 -10.553 1.00 62.12  ? 314 THR   A CA   1 
ATOM   974  C  C    . THR   A 1 69  ? -2.535  -23.597 -10.464 1.00 57.26  ? 314 THR   A C    1 
ATOM   975  O  O    . THR   A 1 69  ? -3.456  -22.886 -10.049 1.00 59.42  ? 314 THR   A O    1 
ATOM   976  C  CB   . THR   A 1 69  ? -3.724  -25.444 -11.647 1.00 60.65  ? 314 THR   A CB   1 
ATOM   977  O  OG1  . THR   A 1 69  ? -4.011  -26.847 -11.618 1.00 63.80  ? 314 THR   A OG1  1 
ATOM   978  C  CG2  . THR   A 1 69  ? -3.181  -25.082 -13.008 1.00 67.07  ? 314 THR   A CG2  1 
ATOM   979  H  H    . THR   A 1 69  ? -3.838  -25.264 -8.953  1.00 79.87  ? 314 THR   A H    1 
ATOM   980  H  HA   . THR   A 1 69  ? -1.853  -25.497 -10.797 1.00 74.59  ? 314 THR   A HA   1 
ATOM   981  H  HB   . THR   A 1 69  ? -4.540  -24.943 -11.497 1.00 72.83  ? 314 THR   A HB   1 
ATOM   982  H  HG1  . THR   A 1 69  ? -4.569  -27.038 -12.216 1.00 76.60  ? 314 THR   A HG1  1 
ATOM   983  H  HG21 . THR   A 1 69  ? -3.832  -25.300 -13.693 1.00 80.53  ? 314 THR   A HG21 1 
ATOM   984  H  HG22 . THR   A 1 69  ? -2.990  -24.132 -13.046 1.00 80.53  ? 314 THR   A HG22 1 
ATOM   985  H  HG23 . THR   A 1 69  ? -2.364  -25.575 -13.181 1.00 80.53  ? 314 THR   A HG23 1 
ATOM   986  N  N    . TRP   A 1 70  ? -1.366  -23.115 -10.880 1.00 53.98  ? 315 TRP   A N    1 
ATOM   987  C  CA   . TRP   A 1 70  ? -1.115  -21.682 -10.948 1.00 56.41  ? 315 TRP   A CA   1 
ATOM   988  C  C    . TRP   A 1 70  ? -1.954  -21.035 -12.044 1.00 61.77  ? 315 TRP   A C    1 
ATOM   989  O  O    . TRP   A 1 70  ? -2.196  -21.629 -13.098 1.00 58.72  ? 315 TRP   A O    1 
ATOM   990  C  CB   . TRP   A 1 70  ? 0.362   -21.406 -11.229 1.00 56.44  ? 315 TRP   A CB   1 
ATOM   991  C  CG   . TRP   A 1 70  ? 1.295   -21.537 -10.052 1.00 56.17  ? 315 TRP   A CG   1 
ATOM   992  C  CD1  . TRP   A 1 70  ? 2.491   -22.200 -10.028 1.00 57.60  ? 315 TRP   A CD1  1 
ATOM   993  C  CD2  . TRP   A 1 70  ? 1.123   -20.978 -8.740  1.00 53.05  ? 315 TRP   A CD2  1 
ATOM   994  N  NE1  . TRP   A 1 70  ? 3.069   -22.091 -8.787  1.00 54.47  ? 315 TRP   A NE1  1 
ATOM   995  C  CE2  . TRP   A 1 70  ? 2.250   -21.348 -7.978  1.00 50.40  ? 315 TRP   A CE2  1 
ATOM   996  C  CE3  . TRP   A 1 70  ? 0.126   -20.206 -8.135  1.00 61.48  ? 315 TRP   A CE3  1 
ATOM   997  C  CZ2  . TRP   A 1 70  ? 2.406   -20.974 -6.644  1.00 46.47  ? 315 TRP   A CZ2  1 
ATOM   998  C  CZ3  . TRP   A 1 70  ? 0.284   -19.836 -6.809  1.00 53.37  ? 315 TRP   A CZ3  1 
ATOM   999  C  CH2  . TRP   A 1 70  ? 1.415   -20.220 -6.080  1.00 49.88  ? 315 TRP   A CH2  1 
ATOM   1000 H  H    . TRP   A 1 70  ? -0.700  -23.599 -11.129 1.00 64.83  ? 315 TRP   A H    1 
ATOM   1001 H  HA   . TRP   A 1 70  ? -1.349  -21.272 -10.100 1.00 67.74  ? 315 TRP   A HA   1 
ATOM   1002 H  HB2  . TRP   A 1 70  ? 0.665   -22.029 -11.908 1.00 67.77  ? 315 TRP   A HB2  1 
ATOM   1003 H  HB3  . TRP   A 1 70  ? 0.445   -20.499 -11.564 1.00 67.77  ? 315 TRP   A HB3  1 
ATOM   1004 H  HD1  . TRP   A 1 70  ? 2.861   -22.655 -10.750 1.00 69.16  ? 315 TRP   A HD1  1 
ATOM   1005 H  HE1  . TRP   A 1 70  ? 3.822   -22.436 -8.555  1.00 65.41  ? 315 TRP   A HE1  1 
ATOM   1006 H  HE3  . TRP   A 1 70  ? -0.628  -19.946 -8.613  1.00 73.82  ? 315 TRP   A HE3  1 
ATOM   1007 H  HZ2  . TRP   A 1 70  ? 3.155   -21.228 -6.156  1.00 55.81  ? 315 TRP   A HZ2  1 
ATOM   1008 H  HZ3  . TRP   A 1 70  ? -0.372  -19.322 -6.396  1.00 64.09  ? 315 TRP   A HZ3  1 
ATOM   1009 H  HH2  . TRP   A 1 70  ? 1.494   -19.957 -5.192  1.00 59.91  ? 315 TRP   A HH2  1 
ATOM   1010 N  N    . MET   A 1 71  ? -2.393  -19.804 -11.788 1.00 52.16  ? 316 MET   A N    1 
ATOM   1011 C  CA   . MET   A 1 71  ? -2.976  -18.947 -12.808 1.00 50.24  ? 316 MET   A CA   1 
ATOM   1012 C  C    . MET   A 1 71  ? -2.243  -17.615 -12.784 1.00 61.55  ? 316 MET   A C    1 
ATOM   1013 O  O    . MET   A 1 71  ? -1.575  -17.265 -11.806 1.00 58.63  ? 316 MET   A O    1 
ATOM   1014 C  CB   . MET   A 1 71  ? -4.483  -18.730 -12.608 1.00 45.94  ? 316 MET   A CB   1 
ATOM   1015 C  CG   . MET   A 1 71  ? -4.922  -18.626 -11.162 1.00 76.19  ? 316 MET   A CG   1 
ATOM   1016 S  SD   . MET   A 1 71  ? -6.679  -18.246 -10.993 1.00 68.38  ? 316 MET   A SD   1 
ATOM   1017 C  CE   . MET   A 1 71  ? -6.615  -16.466 -10.883 1.00 57.65  ? 316 MET   A CE   1 
ATOM   1018 H  H    . MET   A 1 71  ? -2.362  -19.438 -11.010 1.00 62.63  ? 316 MET   A H    1 
ATOM   1019 H  HA   . MET   A 1 71  ? -2.848  -19.361 -13.676 1.00 60.33  ? 316 MET   A HA   1 
ATOM   1020 H  HB2  . MET   A 1 71  ? -4.739  -17.906 -13.052 1.00 55.18  ? 316 MET   A HB2  1 
ATOM   1021 H  HB3  . MET   A 1 71  ? -4.959  -19.476 -13.006 1.00 55.18  ? 316 MET   A HB3  1 
ATOM   1022 H  HG2  . MET   A 1 71  ? -4.754  -19.472 -10.719 1.00 91.47  ? 316 MET   A HG2  1 
ATOM   1023 H  HG3  . MET   A 1 71  ? -4.419  -17.918 -10.729 1.00 91.47  ? 316 MET   A HG3  1 
ATOM   1024 H  HE1  . MET   A 1 71  ? -7.517  -16.123 -10.786 1.00 69.23  ? 316 MET   A HE1  1 
ATOM   1025 H  HE2  . MET   A 1 71  ? -6.082  -16.216 -10.112 1.00 69.23  ? 316 MET   A HE2  1 
ATOM   1026 H  HE3  . MET   A 1 71  ? -6.212  -16.114 -11.692 1.00 69.23  ? 316 MET   A HE3  1 
ATOM   1027 N  N    . GLY   A 1 72  ? -2.360  -16.876 -13.881 1.00 54.92  ? 317 GLY   A N    1 
ATOM   1028 C  CA   . GLY   A 1 72  ? -1.618  -15.639 -14.025 1.00 53.02  ? 317 GLY   A CA   1 
ATOM   1029 C  C    . GLY   A 1 72  ? -2.226  -14.470 -13.279 1.00 57.64  ? 317 GLY   A C    1 
ATOM   1030 O  O    . GLY   A 1 72  ? -2.655  -13.491 -13.900 1.00 53.14  ? 317 GLY   A O    1 
ATOM   1031 H  H    . GLY   A 1 72  ? -2.862  -17.070 -14.552 1.00 65.95  ? 317 GLY   A H    1 
ATOM   1032 H  HA2  . GLY   A 1 72  ? -0.715  -15.771 -13.697 1.00 63.67  ? 317 GLY   A HA2  1 
ATOM   1033 H  HA3  . GLY   A 1 72  ? -1.568  -15.406 -14.965 1.00 63.67  ? 317 GLY   A HA3  1 
ATOM   1034 N  N    . LEU   A 1 73  ? -2.266  -14.554 -11.949 1.00 57.38  ? 318 LEU   A N    1 
ATOM   1035 C  CA   . LEU   A 1 73  ? -2.854  -13.509 -11.121 1.00 59.67  ? 318 LEU   A CA   1 
ATOM   1036 C  C    . LEU   A 1 73  ? -2.019  -13.355 -9.860  1.00 64.33  ? 318 LEU   A C    1 
ATOM   1037 O  O    . LEU   A 1 73  ? -1.648  -14.354 -9.237  1.00 68.81  ? 318 LEU   A O    1 
ATOM   1038 C  CB   . LEU   A 1 73  ? -4.310  -13.838 -10.765 1.00 55.01  ? 318 LEU   A CB   1 
ATOM   1039 C  CG   . LEU   A 1 73  ? -5.042  -12.831 -9.875  1.00 56.13  ? 318 LEU   A CG   1 
ATOM   1040 C  CD1  . LEU   A 1 73  ? -4.976  -11.442 -10.476 1.00 65.78  ? 318 LEU   A CD1  1 
ATOM   1041 C  CD2  . LEU   A 1 73  ? -6.493  -13.238 -9.662  1.00 54.51  ? 318 LEU   A CD2  1 
ATOM   1042 H  H    . LEU   A 1 73  ? -1.953  -15.217 -11.499 1.00 68.90  ? 318 LEU   A H    1 
ATOM   1043 H  HA   . LEU   A 1 73  ? -2.839  -12.667 -11.604 1.00 71.65  ? 318 LEU   A HA   1 
ATOM   1044 H  HB2  . LEU   A 1 73  ? -4.815  -13.912 -11.591 1.00 66.06  ? 318 LEU   A HB2  1 
ATOM   1045 H  HB3  . LEU   A 1 73  ? -4.324  -14.692 -10.305 1.00 66.06  ? 318 LEU   A HB3  1 
ATOM   1046 H  HG   . LEU   A 1 73  ? -4.609  -12.803 -9.007  1.00 67.40  ? 318 LEU   A HG   1 
ATOM   1047 H  HD11 . LEU   A 1 73  ? -5.445  -10.824 -9.894  1.00 78.98  ? 318 LEU   A HD11 1 
ATOM   1048 H  HD12 . LEU   A 1 73  ? -4.046  -11.178 -10.557 1.00 78.98  ? 318 LEU   A HD12 1 
ATOM   1049 H  HD13 . LEU   A 1 73  ? -5.394  -11.457 -11.351 1.00 78.98  ? 318 LEU   A HD13 1 
ATOM   1050 H  HD21 . LEU   A 1 73  ? -6.925  -12.580 -9.095  1.00 65.46  ? 318 LEU   A HD21 1 
ATOM   1051 H  HD22 . LEU   A 1 73  ? -6.939  -13.278 -10.522 1.00 65.46  ? 318 LEU   A HD22 1 
ATOM   1052 H  HD23 . LEU   A 1 73  ? -6.517  -14.109 -9.235  1.00 65.46  ? 318 LEU   A HD23 1 
ATOM   1053 N  N    . SER   A 1 74  ? -1.731  -12.111 -9.483  1.00 62.74  ? 319 SER   A N    1 
ATOM   1054 C  CA   . SER   A 1 74  ? -0.851  -11.846 -8.356  1.00 60.48  ? 319 SER   A CA   1 
ATOM   1055 C  C    . SER   A 1 74  ? -1.172  -10.477 -7.781  1.00 63.11  ? 319 SER   A C    1 
ATOM   1056 O  O    . SER   A 1 74  ? -1.947  -9.705  -8.349  1.00 73.23  ? 319 SER   A O    1 
ATOM   1057 C  CB   . SER   A 1 74  ? 0.622   -11.909 -8.769  1.00 66.05  ? 319 SER   A CB   1 
ATOM   1058 O  OG   . SER   A 1 74  ? 0.864   -11.084 -9.895  1.00 79.42  ? 319 SER   A OG   1 
ATOM   1059 H  H    . SER   A 1 74  ? -2.035  -11.404 -9.867  1.00 75.33  ? 319 SER   A H    1 
ATOM   1060 H  HA   . SER   A 1 74  ? -1.003  -12.510 -7.666  1.00 72.62  ? 319 SER   A HA   1 
ATOM   1061 H  HB2  . SER   A 1 74  ? 1.171   -11.603 -8.030  1.00 79.31  ? 319 SER   A HB2  1 
ATOM   1062 H  HB3  . SER   A 1 74  ? 0.849   -12.825 -8.994  1.00 79.31  ? 319 SER   A HB3  1 
ATOM   1063 H  HG   . SER   A 1 74  ? 1.674   -11.126 -10.113 1.00 95.36  ? 319 SER   A HG   1 
ATOM   1064 N  N    . ASP   A 1 75  ? -0.567  -10.185 -6.631  1.00 68.41  ? 320 ASP   A N    1 
ATOM   1065 C  CA   . ASP   A 1 75  ? -0.643  -8.854  -6.043  1.00 78.95  ? 320 ASP   A CA   1 
ATOM   1066 C  C    . ASP   A 1 75  ? 0.755   -8.327  -5.741  1.00 71.87  ? 320 ASP   A C    1 
ATOM   1067 O  O    . ASP   A 1 75  ? 0.959   -7.597  -4.768  1.00 78.28  ? 320 ASP   A O    1 
ATOM   1068 C  CB   . ASP   A 1 75  ? -1.516  -8.856  -4.787  1.00 79.41  ? 320 ASP   A CB   1 
ATOM   1069 C  CG   . ASP   A 1 75  ? -0.849  -9.528  -3.606  1.00 73.98  ? 320 ASP   A CG   1 
ATOM   1070 O  OD1  . ASP   A 1 75  ? 0.108   -10.295 -3.819  1.00 73.42  ? 320 ASP   A OD1  1 
ATOM   1071 O  OD2  . ASP   A 1 75  ? -1.287  -9.288  -2.462  1.00 82.20  ? 320 ASP   A OD2  1 
ATOM   1072 H  H    . ASP   A 1 75  ? -0.104  -10.745 -6.171  1.00 82.14  ? 320 ASP   A H    1 
ATOM   1073 H  HA   . ASP   A 1 75  ? -1.052  -8.253  -6.685  1.00 94.79  ? 320 ASP   A HA   1 
ATOM   1074 H  HB2  . ASP   A 1 75  ? -1.713  -7.939  -4.538  1.00 95.34  ? 320 ASP   A HB2  1 
ATOM   1075 H  HB3  . ASP   A 1 75  ? -2.340  -9.332  -4.976  1.00 95.34  ? 320 ASP   A HB3  1 
ATOM   1076 N  N    . LEU   A 1 76  ? 1.724   -8.688  -6.581  1.00 76.34  ? 321 LEU   A N    1 
ATOM   1077 C  CA   . LEU   A 1 76  ? 3.106   -8.280  -6.379  1.00 81.28  ? 321 LEU   A CA   1 
ATOM   1078 C  C    . LEU   A 1 76  ? 3.343   -6.820  -6.736  1.00 93.99  ? 321 LEU   A C    1 
ATOM   1079 O  O    . LEU   A 1 76  ? 4.328   -6.236  -6.271  1.00 106.55 ? 321 LEU   A O    1 
ATOM   1080 C  CB   . LEU   A 1 76  ? 4.026   -9.185  -7.199  1.00 72.45  ? 321 LEU   A CB   1 
ATOM   1081 C  CG   . LEU   A 1 76  ? 4.145   -10.606 -6.637  1.00 66.46  ? 321 LEU   A CG   1 
ATOM   1082 C  CD1  . LEU   A 1 76  ? 4.427   -11.611 -7.735  1.00 51.96  ? 321 LEU   A CD1  1 
ATOM   1083 C  CD2  . LEU   A 1 76  ? 5.227   -10.672 -5.566  1.00 60.52  ? 321 LEU   A CD2  1 
ATOM   1084 H  H    . LEU   A 1 76  ? 1.602   -9.172  -7.281  1.00 91.66  ? 321 LEU   A H    1 
ATOM   1085 H  HA   . LEU   A 1 76  ? 3.332   -8.396  -5.443  1.00 97.58  ? 321 LEU   A HA   1 
ATOM   1086 H  HB2  . LEU   A 1 76  ? 3.678   -9.250  -8.102  1.00 86.98  ? 321 LEU   A HB2  1 
ATOM   1087 H  HB3  . LEU   A 1 76  ? 4.914   -8.796  -7.215  1.00 86.98  ? 321 LEU   A HB3  1 
ATOM   1088 H  HG   . LEU   A 1 76  ? 3.303   -10.849 -6.223  1.00 79.80  ? 321 LEU   A HG   1 
ATOM   1089 H  HD11 . LEU   A 1 76  ? 4.496   -12.495 -7.342  1.00 62.40  ? 321 LEU   A HD11 1 
ATOM   1090 H  HD12 . LEU   A 1 76  ? 3.701   -11.589 -8.377  1.00 62.40  ? 321 LEU   A HD12 1 
ATOM   1091 H  HD13 . LEU   A 1 76  ? 5.262   -11.376 -8.170  1.00 62.40  ? 321 LEU   A HD13 1 
ATOM   1092 H  HD21 . LEU   A 1 76  ? 5.282   -11.580 -5.228  1.00 72.67  ? 321 LEU   A HD21 1 
ATOM   1093 H  HD22 . LEU   A 1 76  ? 6.075   -10.413 -5.958  1.00 72.67  ? 321 LEU   A HD22 1 
ATOM   1094 H  HD23 . LEU   A 1 76  ? 4.995   -10.064 -4.846  1.00 72.67  ? 321 LEU   A HD23 1 
ATOM   1095 N  N    . ASN   A 1 77  ? 2.469   -6.220  -7.547  1.00 85.22  ? 322 ASN   A N    1 
ATOM   1096 C  CA   . ASN   A 1 77  ? 2.541   -4.782  -7.776  1.00 85.54  ? 322 ASN   A CA   1 
ATOM   1097 C  C    . ASN   A 1 77  ? 2.201   -3.992  -6.516  1.00 104.19 ? 322 ASN   A C    1 
ATOM   1098 O  O    . ASN   A 1 77  ? 2.695   -2.872  -6.339  1.00 94.37  ? 322 ASN   A O    1 
ATOM   1099 C  CB   . ASN   A 1 77  ? 1.594   -4.385  -8.905  1.00 94.65  ? 322 ASN   A CB   1 
ATOM   1100 C  CG   . ASN   A 1 77  ? 0.184   -4.902  -8.689  1.00 96.19  ? 322 ASN   A CG   1 
ATOM   1101 O  OD1  . ASN   A 1 77  ? -0.551  -4.409  -7.831  1.00 90.90  ? 322 ASN   A OD1  1 
ATOM   1102 N  ND2  . ASN   A 1 77  ? -0.200  -5.906  -9.467  1.00 95.22  ? 322 ASN   A ND2  1 
ATOM   1103 H  H    . ASN   A 1 77  ? 1.835   -6.619  -7.969  1.00 102.31 ? 322 ASN   A H    1 
ATOM   1104 H  HA   . ASN   A 1 77  ? 3.443   -4.548  -8.043  1.00 102.69 ? 322 ASN   A HA   1 
ATOM   1105 H  HB2  . ASN   A 1 77  ? 1.555   -3.418  -8.961  1.00 113.63 ? 322 ASN   A HB2  1 
ATOM   1106 H  HB3  . ASN   A 1 77  ? 1.925   -4.753  -9.740  1.00 113.63 ? 322 ASN   A HB3  1 
ATOM   1107 H  HD21 . ASN   A 1 77  ? -0.990  -6.236  -9.385  1.00 114.31 ? 322 ASN   A HD21 1 
ATOM   1108 H  HD22 . ASN   A 1 77  ? 0.341   -6.225  -10.055 1.00 114.31 ? 322 ASN   A HD22 1 
ATOM   1109 N  N    . GLN   A 1 78  ? 1.362   -4.551  -5.639  1.00 113.06 ? 323 GLN   A N    1 
ATOM   1110 C  CA   . GLN   A 1 78  ? 0.925   -3.859  -4.431  1.00 112.81 ? 323 GLN   A CA   1 
ATOM   1111 C  C    . GLN   A 1 78  ? -0.018  -4.743  -3.625  1.00 105.54 ? 323 GLN   A C    1 
ATOM   1112 O  O    . GLN   A 1 78  ? -0.917  -5.378  -4.188  1.00 96.46  ? 323 GLN   A O    1 
ATOM   1113 C  CB   . GLN   A 1 78  ? 0.244   -2.534  -4.790  1.00 113.13 ? 323 GLN   A CB   1 
ATOM   1114 C  CG   . GLN   A 1 78  ? -0.476  -1.850  -3.631  1.00 107.36 ? 323 GLN   A CG   1 
ATOM   1115 C  CD   . GLN   A 1 78  ? -1.087  -0.523  -4.035  1.00 112.38 ? 323 GLN   A CD   1 
ATOM   1116 O  OE1  . GLN   A 1 78  ? -1.181  -0.208  -5.224  1.00 107.31 ? 323 GLN   A OE1  1 
ATOM   1117 N  NE2  . GLN   A 1 78  ? -1.505  0.266   -3.048  1.00 102.76 ? 323 GLN   A NE2  1 
ATOM   1118 H  H    . GLN   A 1 78  ? 1.030   -5.339  -5.726  1.00 135.72 ? 323 GLN   A H    1 
ATOM   1119 H  HA   . GLN   A 1 78  ? 1.698   -3.661  -3.880  1.00 135.42 ? 323 GLN   A HA   1 
ATOM   1120 H  HB2  . GLN   A 1 78  ? 0.919   -1.919  -5.119  1.00 135.80 ? 323 GLN   A HB2  1 
ATOM   1121 H  HB3  . GLN   A 1 78  ? -0.412  -2.701  -5.484  1.00 135.80 ? 323 GLN   A HB3  1 
ATOM   1122 H  HG2  . GLN   A 1 78  ? -1.189  -2.427  -3.315  1.00 128.88 ? 323 GLN   A HG2  1 
ATOM   1123 H  HG3  . GLN   A 1 78  ? 0.159   -1.684  -2.916  1.00 128.88 ? 323 GLN   A HG3  1 
ATOM   1124 H  HE21 . GLN   A 1 78  ? -1.422  0.012   -2.230  1.00 123.36 ? 323 GLN   A HE21 1 
ATOM   1125 H  HE22 . GLN   A 1 78  ? -1.858  1.029   -3.227  1.00 123.36 ? 323 GLN   A HE22 1 
ATOM   1126 N  N    . GLU   A 1 79  ? 0.170   -4.782  -2.308  1.00 124.09 ? 324 GLU   A N    1 
ATOM   1127 C  CA   . GLU   A 1 79  ? -0.609  -5.684  -1.469  1.00 122.28 ? 324 GLU   A CA   1 
ATOM   1128 C  C    . GLU   A 1 79  ? -2.090  -5.335  -1.542  1.00 121.67 ? 324 GLU   A C    1 
ATOM   1129 O  O    . GLU   A 1 79  ? -2.473  -4.164  -1.466  1.00 132.44 ? 324 GLU   A O    1 
ATOM   1130 C  CB   . GLU   A 1 79  ? -0.116  -5.621  -0.022  1.00 122.38 ? 324 GLU   A CB   1 
ATOM   1131 C  CG   . GLU   A 1 79  ? -0.756  -6.652  0.904   1.00 120.95 ? 324 GLU   A CG   1 
ATOM   1132 C  CD   . GLU   A 1 79  ? -0.502  -8.085  0.464   1.00 115.14 ? 324 GLU   A CD   1 
ATOM   1133 O  OE1  . GLU   A 1 79  ? 0.598   -8.368  -0.057  1.00 109.70 ? 324 GLU   A OE1  1 
ATOM   1134 O  OE2  . GLU   A 1 79  ? -1.408  -8.928  0.638   1.00 104.32 ? 324 GLU   A OE2  1 
ATOM   1135 H  H    . GLU   A 1 79  ? 0.738   -4.299  -1.879  1.00 148.95 ? 324 GLU   A H    1 
ATOM   1136 H  HA   . GLU   A 1 79  ? -0.496  -6.593  -1.788  1.00 146.78 ? 324 GLU   A HA   1 
ATOM   1137 H  HB2  . GLU   A 1 79  ? 0.842   -5.770  -0.013  1.00 146.90 ? 324 GLU   A HB2  1 
ATOM   1138 H  HB3  . GLU   A 1 79  ? -0.313  -4.741  0.336   1.00 146.90 ? 324 GLU   A HB3  1 
ATOM   1139 H  HG2  . GLU   A 1 79  ? -0.391  -6.544  1.796   1.00 145.19 ? 324 GLU   A HG2  1 
ATOM   1140 H  HG3  . GLU   A 1 79  ? -1.715  -6.509  0.919   1.00 145.19 ? 324 GLU   A HG3  1 
ATOM   1141 N  N    . GLY   A 1 80  ? -2.923  -6.364  -1.690  1.00 107.94 ? 325 GLY   A N    1 
ATOM   1142 C  CA   . GLY   A 1 80  ? -4.349  -6.188  -1.845  1.00 103.85 ? 325 GLY   A CA   1 
ATOM   1143 C  C    . GLY   A 1 80  ? -4.807  -5.866  -3.250  1.00 107.88 ? 325 GLY   A C    1 
ATOM   1144 O  O    . GLY   A 1 80  ? -6.019  -5.881  -3.506  1.00 104.13 ? 325 GLY   A O    1 
ATOM   1145 H  H    . GLY   A 1 80  ? -2.673  -7.187  -1.704  1.00 129.58 ? 325 GLY   A H    1 
ATOM   1146 H  HA2  . GLY   A 1 80  ? -4.798  -7.000  -1.564  1.00 124.67 ? 325 GLY   A HA2  1 
ATOM   1147 H  HA3  . GLY   A 1 80  ? -4.641  -5.468  -1.264  1.00 124.67 ? 325 GLY   A HA3  1 
ATOM   1148 N  N    . THR   A 1 81  ? -3.889  -5.583  -4.173  1.00 101.44 ? 326 THR   A N    1 
ATOM   1149 C  CA   . THR   A 1 81  ? -4.232  -5.191  -5.538  1.00 89.87  ? 326 THR   A CA   1 
ATOM   1150 C  C    . THR   A 1 81  ? -3.963  -6.380  -6.455  1.00 81.11  ? 326 THR   A C    1 
ATOM   1151 O  O    . THR   A 1 81  ? -2.834  -6.593  -6.905  1.00 67.95  ? 326 THR   A O    1 
ATOM   1152 C  CB   . THR   A 1 81  ? -3.429  -3.967  -5.962  1.00 95.55  ? 326 THR   A CB   1 
ATOM   1153 O  OG1  . THR   A 1 81  ? -3.342  -3.049  -4.865  1.00 99.75  ? 326 THR   A OG1  1 
ATOM   1154 C  CG2  . THR   A 1 81  ? -4.100  -3.281  -7.131  1.00 94.08  ? 326 THR   A CG2  1 
ATOM   1155 H  H    . THR   A 1 81  ? -3.041  -5.612  -4.028  1.00 121.77 ? 326 THR   A H    1 
ATOM   1156 H  HA   . THR   A 1 81  ? -5.175  -4.972  -5.585  1.00 107.89 ? 326 THR   A HA   1 
ATOM   1157 H  HB   . THR   A 1 81  ? -2.538  -4.239  -6.232  1.00 114.70 ? 326 THR   A HB   1 
ATOM   1158 H  HG1  . THR   A 1 81  ? -2.961  -3.417  -4.213  1.00 119.74 ? 326 THR   A HG1  1 
ATOM   1159 H  HG21 . THR   A 1 81  ? -3.586  -2.503  -7.398  1.00 112.94 ? 326 THR   A HG21 1 
ATOM   1160 H  HG22 . THR   A 1 81  ? -4.162  -3.891  -7.883  1.00 112.94 ? 326 THR   A HG22 1 
ATOM   1161 H  HG23 . THR   A 1 81  ? -4.994  -2.998  -6.881  1.00 112.94 ? 326 THR   A HG23 1 
ATOM   1162 N  N    . TRP   A 1 82  ? -5.008  -7.152  -6.735  1.00 72.65  ? 327 TRP   A N    1 
ATOM   1163 C  CA   . TRP   A 1 82  ? -4.878  -8.360  -7.536  1.00 72.75  ? 327 TRP   A CA   1 
ATOM   1164 C  C    . TRP   A 1 82  ? -5.006  -8.022  -9.016  1.00 73.28  ? 327 TRP   A C    1 
ATOM   1165 O  O    . TRP   A 1 82  ? -5.990  -7.409  -9.442  1.00 68.69  ? 327 TRP   A O    1 
ATOM   1166 C  CB   . TRP   A 1 82  ? -5.925  -9.386  -7.111  1.00 73.68  ? 327 TRP   A CB   1 
ATOM   1167 C  CG   . TRP   A 1 82  ? -5.595  -9.995  -5.794  1.00 68.16  ? 327 TRP   A CG   1 
ATOM   1168 C  CD1  . TRP   A 1 82  ? -6.092  -9.640  -4.578  1.00 73.28  ? 327 TRP   A CD1  1 
ATOM   1169 C  CD2  . TRP   A 1 82  ? -4.667  -11.058 -5.555  1.00 65.52  ? 327 TRP   A CD2  1 
ATOM   1170 N  NE1  . TRP   A 1 82  ? -5.537  -10.420 -3.594  1.00 73.82  ? 327 TRP   A NE1  1 
ATOM   1171 C  CE2  . TRP   A 1 82  ? -4.658  -11.300 -4.170  1.00 69.42  ? 327 TRP   A CE2  1 
ATOM   1172 C  CE3  . TRP   A 1 82  ? -3.845  -11.831 -6.380  1.00 72.47  ? 327 TRP   A CE3  1 
ATOM   1173 C  CZ2  . TRP   A 1 82  ? -3.863  -12.285 -3.590  1.00 76.81  ? 327 TRP   A CZ2  1 
ATOM   1174 C  CZ3  . TRP   A 1 82  ? -3.057  -12.808 -5.803  1.00 65.57  ? 327 TRP   A CZ3  1 
ATOM   1175 C  CH2  . TRP   A 1 82  ? -3.070  -13.026 -4.423  1.00 65.32  ? 327 TRP   A CH2  1 
ATOM   1176 H  H    . TRP   A 1 82  ? -5.811  -6.995  -6.469  1.00 87.23  ? 327 TRP   A H    1 
ATOM   1177 H  HA   . TRP   A 1 82  ? -4.000  -8.746  -7.389  1.00 87.35  ? 327 TRP   A HA   1 
ATOM   1178 H  HB2  . TRP   A 1 82  ? -6.788  -8.949  -7.035  1.00 88.46  ? 327 TRP   A HB2  1 
ATOM   1179 H  HB3  . TRP   A 1 82  ? -5.965  -10.094 -7.772  1.00 88.46  ? 327 TRP   A HB3  1 
ATOM   1180 H  HD1  . TRP   A 1 82  ? -6.716  -8.965  -4.435  1.00 87.98  ? 327 TRP   A HD1  1 
ATOM   1181 H  HE1  . TRP   A 1 82  ? -5.713  -10.367 -2.754  1.00 88.63  ? 327 TRP   A HE1  1 
ATOM   1182 H  HE3  . TRP   A 1 82  ? -3.831  -11.692 -7.299  1.00 87.01  ? 327 TRP   A HE3  1 
ATOM   1183 H  HZ2  . TRP   A 1 82  ? -3.870  -12.433 -2.672  1.00 92.21  ? 327 TRP   A HZ2  1 
ATOM   1184 H  HZ3  . TRP   A 1 82  ? -2.506  -13.329 -6.343  1.00 78.73  ? 327 TRP   A HZ3  1 
ATOM   1185 H  HH2  . TRP   A 1 82  ? -2.528  -13.690 -4.063  1.00 78.42  ? 327 TRP   A HH2  1 
ATOM   1186 N  N    . GLN   A 1 83  ? -4.007  -8.431  -9.795  1.00 59.68  ? 328 GLN   A N    1 
ATOM   1187 C  CA   . GLN   A 1 83  ? -3.862  -7.962  -11.164 1.00 59.97  ? 328 GLN   A CA   1 
ATOM   1188 C  C    . GLN   A 1 83  ? -3.312  -9.086  -12.028 1.00 60.76  ? 328 GLN   A C    1 
ATOM   1189 O  O    . GLN   A 1 83  ? -2.350  -9.757  -11.642 1.00 54.20  ? 328 GLN   A O    1 
ATOM   1190 C  CB   . GLN   A 1 83  ? -2.934  -6.743  -11.210 1.00 75.66  ? 328 GLN   A CB   1 
ATOM   1191 C  CG   . GLN   A 1 83  ? -2.882  -6.016  -12.544 1.00 80.56  ? 328 GLN   A CG   1 
ATOM   1192 C  CD   . GLN   A 1 83  ? -1.904  -4.856  -12.525 1.00 76.23  ? 328 GLN   A CD   1 
ATOM   1193 O  OE1  . GLN   A 1 83  ? -1.081  -4.708  -13.428 1.00 72.68  ? 328 GLN   A OE1  1 
ATOM   1194 N  NE2  . GLN   A 1 83  ? -1.989  -4.025  -11.490 1.00 77.08  ? 328 GLN   A NE2  1 
ATOM   1195 H  H    . GLN   A 1 83  ? -3.397  -8.984  -9.549  1.00 71.66  ? 328 GLN   A H    1 
ATOM   1196 H  HA   . GLN   A 1 83  ? -4.730  -7.702  -11.512 1.00 72.01  ? 328 GLN   A HA   1 
ATOM   1197 H  HB2  . GLN   A 1 83  ? -3.231  -6.105  -10.542 1.00 90.84  ? 328 GLN   A HB2  1 
ATOM   1198 H  HB3  . GLN   A 1 83  ? -2.033  -7.034  -11.002 1.00 90.84  ? 328 GLN   A HB3  1 
ATOM   1199 H  HG2  . GLN   A 1 83  ? -2.600  -6.637  -13.234 1.00 96.72  ? 328 GLN   A HG2  1 
ATOM   1200 H  HG3  . GLN   A 1 83  ? -3.763  -5.665  -12.750 1.00 96.72  ? 328 GLN   A HG3  1 
ATOM   1201 H  HE21 . GLN   A 1 83  ? -2.577  -4.161  -10.878 1.00 92.54  ? 328 GLN   A HE21 1 
ATOM   1202 H  HE22 . GLN   A 1 83  ? -1.456  -3.352  -11.434 1.00 92.54  ? 328 GLN   A HE22 1 
ATOM   1203 N  N    . TRP   A 1 84  ? -3.925  -9.280  -13.191 1.00 61.05  ? 329 TRP   A N    1 
ATOM   1204 C  CA   . TRP   A 1 84  ? -3.505  -10.330 -14.105 1.00 60.86  ? 329 TRP   A CA   1 
ATOM   1205 C  C    . TRP   A 1 84  ? -2.203  -9.949  -14.800 1.00 61.26  ? 329 TRP   A C    1 
ATOM   1206 O  O    . TRP   A 1 84  ? -1.890  -8.768  -14.978 1.00 62.49  ? 329 TRP   A O    1 
ATOM   1207 C  CB   . TRP   A 1 84  ? -4.600  -10.592 -15.134 1.00 54.94  ? 329 TRP   A CB   1 
ATOM   1208 C  CG   . TRP   A 1 84  ? -5.912  -10.952 -14.506 1.00 56.60  ? 329 TRP   A CG   1 
ATOM   1209 C  CD1  . TRP   A 1 84  ? -6.907  -10.097 -14.137 1.00 57.27  ? 329 TRP   A CD1  1 
ATOM   1210 C  CD2  . TRP   A 1 84  ? -6.364  -12.267 -14.163 1.00 56.37  ? 329 TRP   A CD2  1 
ATOM   1211 N  NE1  . TRP   A 1 84  ? -7.956  -10.798 -13.591 1.00 55.85  ? 329 TRP   A NE1  1 
ATOM   1212 C  CE2  . TRP   A 1 84  ? -7.646  -12.133 -13.596 1.00 53.76  ? 329 TRP   A CE2  1 
ATOM   1213 C  CE3  . TRP   A 1 84  ? -5.811  -13.544 -14.284 1.00 49.75  ? 329 TRP   A CE3  1 
ATOM   1214 C  CZ2  . TRP   A 1 84  ? -8.382  -13.226 -13.153 1.00 52.39  ? 329 TRP   A CZ2  1 
ATOM   1215 C  CZ3  . TRP   A 1 84  ? -6.542  -14.625 -13.848 1.00 50.13  ? 329 TRP   A CZ3  1 
ATOM   1216 C  CH2  . TRP   A 1 84  ? -7.814  -14.461 -13.287 1.00 56.93  ? 329 TRP   A CH2  1 
ATOM   1217 H  H    . TRP   A 1 84  ? -4.590  -8.813  -13.474 1.00 73.30  ? 329 TRP   A H    1 
ATOM   1218 H  HA   . TRP   A 1 84  ? -3.354  -11.148 -13.605 1.00 73.08  ? 329 TRP   A HA   1 
ATOM   1219 H  HB2  . TRP   A 1 84  ? -4.731  -9.792  -15.666 1.00 65.97  ? 329 TRP   A HB2  1 
ATOM   1220 H  HB3  . TRP   A 1 84  ? -4.328  -11.328 -15.704 1.00 65.97  ? 329 TRP   A HB3  1 
ATOM   1221 H  HD1  . TRP   A 1 84  ? -6.881  -9.173  -14.241 1.00 68.77  ? 329 TRP   A HD1  1 
ATOM   1222 H  HE1  . TRP   A 1 84  ? -8.687  -10.455 -13.294 1.00 67.06  ? 329 TRP   A HE1  1 
ATOM   1223 H  HE3  . TRP   A 1 84  ? -4.967  -13.662 -14.658 1.00 59.74  ? 329 TRP   A HE3  1 
ATOM   1224 H  HZ2  . TRP   A 1 84  ? -9.228  -13.121 -12.780 1.00 62.92  ? 329 TRP   A HZ2  1 
ATOM   1225 H  HZ3  . TRP   A 1 84  ? -6.182  -15.479 -13.924 1.00 60.20  ? 329 TRP   A HZ3  1 
ATOM   1226 H  HH2  . TRP   A 1 84  ? -8.283  -15.211 -12.998 1.00 68.36  ? 329 TRP   A HH2  1 
ATOM   1227 N  N    . VAL   A 1 85  ? -1.439  -10.970 -15.199 1.00 52.86  ? 330 VAL   A N    1 
ATOM   1228 C  CA   . VAL   A 1 85  ? -0.111  -10.746 -15.759 1.00 56.90  ? 330 VAL   A CA   1 
ATOM   1229 C  C    . VAL   A 1 85  ? -0.147  -9.979  -17.071 1.00 58.57  ? 330 VAL   A C    1 
ATOM   1230 O  O    . VAL   A 1 85  ? 0.912   -9.619  -17.593 1.00 55.96  ? 330 VAL   A O    1 
ATOM   1231 C  CB   . VAL   A 1 85  ? 0.650   -12.079 -15.951 1.00 43.13  ? 330 VAL   A CB   1 
ATOM   1232 C  CG1  . VAL   A 1 85  ? 1.064   -12.641 -14.615 1.00 57.68  ? 330 VAL   A CG1  1 
ATOM   1233 C  CG2  . VAL   A 1 85  ? -0.182  -13.093 -16.717 1.00 57.10  ? 330 VAL   A CG2  1 
ATOM   1234 H  H    . VAL   A 1 85  ? -1.669  -11.798 -15.154 1.00 63.48  ? 330 VAL   A H    1 
ATOM   1235 H  HA   . VAL   A 1 85  ? 0.398   -10.213 -15.128 1.00 68.33  ? 330 VAL   A HA   1 
ATOM   1236 H  HB   . VAL   A 1 85  ? 1.455   -11.909 -16.463 1.00 51.80  ? 330 VAL   A HB   1 
ATOM   1237 H  HG11 . VAL   A 1 85  ? 1.539   -13.475 -14.757 1.00 69.26  ? 330 VAL   A HG11 1 
ATOM   1238 H  HG12 . VAL   A 1 85  ? 1.644   -12.002 -14.171 1.00 69.26  ? 330 VAL   A HG12 1 
ATOM   1239 H  HG13 . VAL   A 1 85  ? 0.271   -12.798 -14.079 1.00 69.26  ? 330 VAL   A HG13 1 
ATOM   1240 H  HG21 . VAL   A 1 85  ? 0.330   -13.911 -16.816 1.00 68.56  ? 330 VAL   A HG21 1 
ATOM   1241 H  HG22 . VAL   A 1 85  ? -0.998  -13.270 -16.224 1.00 68.56  ? 330 VAL   A HG22 1 
ATOM   1242 H  HG23 . VAL   A 1 85  ? -0.396  -12.729 -17.591 1.00 68.56  ? 330 VAL   A HG23 1 
ATOM   1243 N  N    . ASP   A 1 86  ? -1.329  -9.726  -17.626 1.00 54.21  ? 331 ASP   A N    1 
ATOM   1244 C  CA   . ASP   A 1 86  ? -1.465  -8.807  -18.745 1.00 58.16  ? 331 ASP   A CA   1 
ATOM   1245 C  C    . ASP   A 1 86  ? -1.746  -7.380  -18.287 1.00 54.93  ? 331 ASP   A C    1 
ATOM   1246 O  O    . ASP   A 1 86  ? -2.188  -6.555  -19.092 1.00 57.40  ? 331 ASP   A O    1 
ATOM   1247 C  CB   . ASP   A 1 86  ? -2.570  -9.283  -19.695 1.00 60.64  ? 331 ASP   A CB   1 
ATOM   1248 C  CG   . ASP   A 1 86  ? -3.961  -9.145  -19.100 1.00 61.95  ? 331 ASP   A CG   1 
ATOM   1249 O  OD1  . ASP   A 1 86  ? -4.094  -8.611  -17.979 1.00 57.70  ? 331 ASP   A OD1  1 
ATOM   1250 O  OD2  . ASP   A 1 86  ? -4.931  -9.575  -19.759 1.00 64.27  ? 331 ASP   A OD2  1 
ATOM   1251 H  H    . ASP   A 1 86  ? -2.071  -10.077 -17.369 1.00 65.09  ? 331 ASP   A H    1 
ATOM   1252 H  HA   . ASP   A 1 86  ? -0.632  -8.798  -19.243 1.00 69.83  ? 331 ASP   A HA   1 
ATOM   1253 H  HB2  . ASP   A 1 86  ? -2.538  -8.753  -20.507 1.00 72.81  ? 331 ASP   A HB2  1 
ATOM   1254 H  HB3  . ASP   A 1 86  ? -2.424  -10.219 -19.904 1.00 72.81  ? 331 ASP   A HB3  1 
ATOM   1255 N  N    . GLY   A 1 87  ? -1.523  -7.080  -17.013 1.00 56.21  ? 332 GLY   A N    1 
ATOM   1256 C  CA   . GLY   A 1 87  ? -1.788  -5.755  -16.495 1.00 65.16  ? 332 GLY   A CA   1 
ATOM   1257 C  C    . GLY   A 1 87  ? -3.233  -5.553  -16.090 1.00 69.89  ? 332 GLY   A C    1 
ATOM   1258 O  O    . GLY   A 1 87  ? -3.520  -4.791  -15.160 1.00 64.13  ? 332 GLY   A O    1 
ATOM   1259 H  H    . GLY   A 1 87  ? -1.216  -7.632  -16.429 1.00 67.49  ? 332 GLY   A H    1 
ATOM   1260 H  HA2  . GLY   A 1 87  ? -1.228  -5.596  -15.718 1.00 78.24  ? 332 GLY   A HA2  1 
ATOM   1261 H  HA3  . GLY   A 1 87  ? -1.565  -5.096  -17.171 1.00 78.24  ? 332 GLY   A HA3  1 
ATOM   1262 N  N    . SER   A 1 88  ? -4.151  -6.238  -16.767 1.00 64.34  ? 333 SER   A N    1 
ATOM   1263 C  CA   . SER   A 1 88  ? -5.568  -6.029  -16.505 1.00 70.36  ? 333 SER   A CA   1 
ATOM   1264 C  C    . SER   A 1 88  ? -5.870  -6.317  -15.034 1.00 64.37  ? 333 SER   A C    1 
ATOM   1265 O  O    . SER   A 1 88  ? -5.253  -7.208  -14.437 1.00 60.86  ? 333 SER   A O    1 
ATOM   1266 C  CB   . SER   A 1 88  ? -6.421  -6.922  -17.411 1.00 58.92  ? 333 SER   A CB   1 
ATOM   1267 O  OG   . SER   A 1 88  ? -6.288  -8.288  -17.064 1.00 63.62  ? 333 SER   A OG   1 
ATOM   1268 H  H    . SER   A 1 88  ? -3.981  -6.821  -17.376 1.00 77.25  ? 333 SER   A H    1 
ATOM   1269 H  HA   . SER   A 1 88  ? -5.796  -5.104  -16.687 1.00 84.47  ? 333 SER   A HA   1 
ATOM   1270 H  HB2  . SER   A 1 88  ? -7.351  -6.664  -17.320 1.00 70.75  ? 333 SER   A HB2  1 
ATOM   1271 H  HB3  . SER   A 1 88  ? -6.133  -6.802  -18.330 1.00 70.75  ? 333 SER   A HB3  1 
ATOM   1272 H  HG   . SER   A 1 88  ? -5.486  -8.527  -17.139 1.00 76.39  ? 333 SER   A HG   1 
ATOM   1273 N  N    . PRO   A 1 89  ? -6.790  -5.582  -14.414 1.00 63.21  ? 334 PRO   A N    1 
ATOM   1274 C  CA   . PRO   A 1 89  ? -7.049  -5.762  -12.986 1.00 67.40  ? 334 PRO   A CA   1 
ATOM   1275 C  C    . PRO   A 1 89  ? -8.057  -6.878  -12.734 1.00 67.55  ? 334 PRO   A C    1 
ATOM   1276 O  O    . PRO   A 1 89  ? -8.726  -7.369  -13.646 1.00 79.87  ? 334 PRO   A O    1 
ATOM   1277 C  CB   . PRO   A 1 89  ? -7.627  -4.404  -12.576 1.00 67.82  ? 334 PRO   A CB   1 
ATOM   1278 C  CG   . PRO   A 1 89  ? -8.396  -3.976  -13.787 1.00 69.16  ? 334 PRO   A CG   1 
ATOM   1279 C  CD   . PRO   A 1 89  ? -7.653  -4.534  -14.991 1.00 66.54  ? 334 PRO   A CD   1 
ATOM   1280 H  HA   . PRO   A 1 89  ? -6.228  -5.935  -12.500 1.00 80.93  ? 334 PRO   A HA   1 
ATOM   1281 H  HB2  . PRO   A 1 89  ? -8.214  -4.511  -11.811 1.00 81.43  ? 334 PRO   A HB2  1 
ATOM   1282 H  HB3  . PRO   A 1 89  ? -6.908  -3.783  -12.382 1.00 81.43  ? 334 PRO   A HB3  1 
ATOM   1283 H  HG2  . PRO   A 1 89  ? -9.294  -4.339  -13.745 1.00 83.04  ? 334 PRO   A HG2  1 
ATOM   1284 H  HG3  . PRO   A 1 89  ? -8.424  -3.007  -13.826 1.00 83.04  ? 334 PRO   A HG3  1 
ATOM   1285 H  HD2  . PRO   A 1 89  ? -8.278  -4.923  -15.623 1.00 79.89  ? 334 PRO   A HD2  1 
ATOM   1286 H  HD3  . PRO   A 1 89  ? -7.113  -3.843  -15.405 1.00 79.89  ? 334 PRO   A HD3  1 
ATOM   1287 N  N    . LEU   A 1 90  ? -8.157  -7.264  -11.463 1.00 60.90  ? 335 LEU   A N    1 
ATOM   1288 C  CA   . LEU   A 1 90  ? -9.149  -8.246  -11.037 1.00 64.85  ? 335 LEU   A CA   1 
ATOM   1289 C  C    . LEU   A 1 90  ? -10.465 -7.521  -10.792 1.00 60.48  ? 335 LEU   A C    1 
ATOM   1290 O  O    . LEU   A 1 90  ? -10.579 -6.722  -9.858  1.00 67.64  ? 335 LEU   A O    1 
ATOM   1291 C  CB   . LEU   A 1 90  ? -8.680  -8.984  -9.786  1.00 57.90  ? 335 LEU   A CB   1 
ATOM   1292 C  CG   . LEU   A 1 90  ? -9.645  -10.039 -9.237  1.00 67.64  ? 335 LEU   A CG   1 
ATOM   1293 C  CD1  . LEU   A 1 90  ? -9.785  -11.204 -10.203 1.00 61.10  ? 335 LEU   A CD1  1 
ATOM   1294 C  CD2  . LEU   A 1 90  ? -9.196  -10.528 -7.861  1.00 69.95  ? 335 LEU   A CD2  1 
ATOM   1295 H  H    . LEU   A 1 90  ? -7.659  -6.971  -10.826 1.00 73.13  ? 335 LEU   A H    1 
ATOM   1296 H  HA   . LEU   A 1 90  ? -9.284  -8.897  -11.744 1.00 77.86  ? 335 LEU   A HA   1 
ATOM   1297 H  HB2  . LEU   A 1 90  ? -7.844  -9.433  -9.990  1.00 69.53  ? 335 LEU   A HB2  1 
ATOM   1298 H  HB3  . LEU   A 1 90  ? -8.533  -8.332  -9.083  1.00 69.53  ? 335 LEU   A HB3  1 
ATOM   1299 H  HG   . LEU   A 1 90  ? -10.520 -9.636  -9.134  1.00 81.22  ? 335 LEU   A HG   1 
ATOM   1300 H  HD11 . LEU   A 1 90  ? -10.400 -11.853 -9.827  1.00 73.37  ? 335 LEU   A HD11 1 
ATOM   1301 H  HD12 . LEU   A 1 90  ? -10.127 -10.873 -11.048 1.00 73.37  ? 335 LEU   A HD12 1 
ATOM   1302 H  HD13 . LEU   A 1 90  ? -8.914  -11.611 -10.335 1.00 73.37  ? 335 LEU   A HD13 1 
ATOM   1303 H  HD21 . LEU   A 1 90  ? -9.825  -11.194 -7.542  1.00 83.98  ? 335 LEU   A HD21 1 
ATOM   1304 H  HD22 . LEU   A 1 90  ? -8.311  -10.920 -7.938  1.00 83.98  ? 335 LEU   A HD22 1 
ATOM   1305 H  HD23 . LEU   A 1 90  ? -9.172  -9.775  -7.251  1.00 83.98  ? 335 LEU   A HD23 1 
ATOM   1306 N  N    . LEU   A 1 91  ? -11.459 -7.796  -11.631 1.00 70.69  ? 336 LEU   A N    1 
ATOM   1307 C  CA   . LEU   A 1 91  ? -12.716 -7.074  -11.555 1.00 68.98  ? 336 LEU   A CA   1 
ATOM   1308 C  C    . LEU   A 1 91  ? -13.533 -7.548  -10.356 1.00 73.78  ? 336 LEU   A C    1 
ATOM   1309 O  O    . LEU   A 1 91  ? -13.374 -8.682  -9.895  1.00 76.46  ? 336 LEU   A O    1 
ATOM   1310 C  CB   . LEU   A 1 91  ? -13.523 -7.270  -12.833 1.00 76.84  ? 336 LEU   A CB   1 
ATOM   1311 C  CG   . LEU   A 1 91  ? -12.832 -6.804  -14.112 1.00 73.14  ? 336 LEU   A CG   1 
ATOM   1312 C  CD1  . LEU   A 1 91  ? -13.616 -7.263  -15.330 1.00 82.98  ? 336 LEU   A CD1  1 
ATOM   1313 C  CD2  . LEU   A 1 91  ? -12.675 -5.292  -14.109 1.00 54.81  ? 336 LEU   A CD2  1 
ATOM   1314 H  H    . LEU   A 1 91  ? -11.428 -8.393  -12.249 1.00 84.87  ? 336 LEU   A H    1 
ATOM   1315 H  HA   . LEU   A 1 91  ? -12.538 -6.126  -11.448 1.00 82.82  ? 336 LEU   A HA   1 
ATOM   1316 H  HB2  . LEU   A 1 91  ? -13.716 -8.216  -12.933 1.00 92.26  ? 336 LEU   A HB2  1 
ATOM   1317 H  HB3  . LEU   A 1 91  ? -14.354 -6.776  -12.752 1.00 92.26  ? 336 LEU   A HB3  1 
ATOM   1318 H  HG   . LEU   A 1 91  ? -11.948 -7.198  -14.157 1.00 87.81  ? 336 LEU   A HG   1 
ATOM   1319 H  HD11 . LEU   A 1 91  ? -13.162 -6.957  -16.130 1.00 99.62  ? 336 LEU   A HD11 1 
ATOM   1320 H  HD12 . LEU   A 1 91  ? -13.665 -8.232  -15.326 1.00 99.62  ? 336 LEU   A HD12 1 
ATOM   1321 H  HD13 . LEU   A 1 91  ? -14.509 -6.886  -15.291 1.00 99.62  ? 336 LEU   A HD13 1 
ATOM   1322 H  HD21 . LEU   A 1 91  ? -12.235 -5.019  -14.929 1.00 65.82  ? 336 LEU   A HD21 1 
ATOM   1323 H  HD22 . LEU   A 1 91  ? -13.553 -4.884  -14.052 1.00 65.82  ? 336 LEU   A HD22 1 
ATOM   1324 H  HD23 . LEU   A 1 91  ? -12.139 -5.033  -13.343 1.00 65.82  ? 336 LEU   A HD23 1 
ATOM   1325 N  N    . PRO   A 1 92  ? -14.416 -6.696  -9.828  1.00 75.05  ? 337 PRO   A N    1 
ATOM   1326 C  CA   . PRO   A 1 92  ? -15.289 -7.148  -8.732  1.00 77.83  ? 337 PRO   A CA   1 
ATOM   1327 C  C    . PRO   A 1 92  ? -16.072 -8.399  -9.080  1.00 66.12  ? 337 PRO   A C    1 
ATOM   1328 O  O    . PRO   A 1 92  ? -16.286 -9.259  -8.218  1.00 72.17  ? 337 PRO   A O    1 
ATOM   1329 C  CB   . PRO   A 1 92  ? -16.211 -5.942  -8.505  1.00 77.31  ? 337 PRO   A CB   1 
ATOM   1330 C  CG   . PRO   A 1 92  ? -15.440 -4.777  -9.001  1.00 73.22  ? 337 PRO   A CG   1 
ATOM   1331 C  CD   . PRO   A 1 92  ? -14.644 -5.281  -10.165 1.00 64.86  ? 337 PRO   A CD   1 
ATOM   1332 H  HA   . PRO   A 1 92  ? -14.767 -7.309  -7.930  1.00 93.44  ? 337 PRO   A HA   1 
ATOM   1333 H  HB2  . PRO   A 1 92  ? -17.029 -6.055  -9.014  1.00 92.82  ? 337 PRO   A HB2  1 
ATOM   1334 H  HB3  . PRO   A 1 92  ? -16.403 -5.850  -7.559  1.00 92.82  ? 337 PRO   A HB3  1 
ATOM   1335 H  HG2  . PRO   A 1 92  ? -16.051 -4.078  -9.282  1.00 87.91  ? 337 PRO   A HG2  1 
ATOM   1336 H  HG3  . PRO   A 1 92  ? -14.852 -4.454  -8.300  1.00 87.91  ? 337 PRO   A HG3  1 
ATOM   1337 H  HD2  . PRO   A 1 92  ? -15.158 -5.207  -10.985 1.00 77.88  ? 337 PRO   A HD2  1 
ATOM   1338 H  HD3  . PRO   A 1 92  ? -13.800 -4.808  -10.229 1.00 77.88  ? 337 PRO   A HD3  1 
ATOM   1339 N  N    . SER   A 1 93  ? -16.500 -8.525  -10.335 1.00 77.73  ? 338 SER   A N    1 
ATOM   1340 C  CA   . SER   A 1 93  ? -17.286 -9.684  -10.737 1.00 73.29  ? 338 SER   A CA   1 
ATOM   1341 C  C    . SER   A 1 93  ? -16.522 -10.979 -10.496 1.00 62.12  ? 338 SER   A C    1 
ATOM   1342 O  O    . SER   A 1 93  ? -17.104 -11.981 -10.069 1.00 68.08  ? 338 SER   A O    1 
ATOM   1343 C  CB   . SER   A 1 93  ? -17.678 -9.552  -12.209 1.00 75.90  ? 338 SER   A CB   1 
ATOM   1344 O  OG   . SER   A 1 93  ? -17.952 -8.197  -12.531 1.00 80.36  ? 338 SER   A OG   1 
ATOM   1345 H  H    . SER   A 1 93  ? -16.349 -7.959  -10.965 1.00 93.32  ? 338 SER   A H    1 
ATOM   1346 H  HA   . SER   A 1 93  ? -18.100 -9.713  -10.211 1.00 88.00  ? 338 SER   A HA   1 
ATOM   1347 H  HB2  . SER   A 1 93  ? -16.945 -9.867  -12.761 1.00 91.12  ? 338 SER   A HB2  1 
ATOM   1348 H  HB3  . SER   A 1 93  ? -18.472 -10.084 -12.374 1.00 91.12  ? 338 SER   A HB3  1 
ATOM   1349 H  HG   . SER   A 1 93  ? -18.167 -8.133  -13.341 1.00 96.48  ? 338 SER   A HG   1 
ATOM   1350 N  N    . PHE   A 1 94  ? -15.213 -10.977 -10.752 1.00 67.84  ? 339 PHE   A N    1 
ATOM   1351 C  CA   . PHE   A 1 94  ? -14.420 -12.195 -10.632 1.00 71.94  ? 339 PHE   A CA   1 
ATOM   1352 C  C    . PHE   A 1 94  ? -14.103 -12.563 -9.188  1.00 79.13  ? 339 PHE   A C    1 
ATOM   1353 O  O    . PHE   A 1 94  ? -13.701 -13.703 -8.929  1.00 69.75  ? 339 PHE   A O    1 
ATOM   1354 C  CB   . PHE   A 1 94  ? -13.104 -12.051 -11.397 1.00 67.56  ? 339 PHE   A CB   1 
ATOM   1355 C  CG   . PHE   A 1 94  ? -13.259 -12.088 -12.889 1.00 80.17  ? 339 PHE   A CG   1 
ATOM   1356 C  CD1  . PHE   A 1 94  ? -13.740 -13.222 -13.519 1.00 68.98  ? 339 PHE   A CD1  1 
ATOM   1357 C  CD2  . PHE   A 1 94  ? -12.899 -10.997 -13.663 1.00 81.31  ? 339 PHE   A CD2  1 
ATOM   1358 C  CE1  . PHE   A 1 94  ? -13.874 -13.263 -14.889 1.00 76.84  ? 339 PHE   A CE1  1 
ATOM   1359 C  CE2  . PHE   A 1 94  ? -13.030 -11.032 -15.033 1.00 86.18  ? 339 PHE   A CE2  1 
ATOM   1360 C  CZ   . PHE   A 1 94  ? -13.518 -12.167 -15.648 1.00 89.13  ? 339 PHE   A CZ   1 
ATOM   1361 H  H    . PHE   A 1 94  ? -14.764 -10.285 -10.996 1.00 81.45  ? 339 PHE   A H    1 
ATOM   1362 H  HA   . PHE   A 1 94  ? -14.915 -12.931 -11.025 1.00 86.38  ? 339 PHE   A HA   1 
ATOM   1363 H  HB2  . PHE   A 1 94  ? -12.698 -11.202 -11.163 1.00 81.12  ? 339 PHE   A HB2  1 
ATOM   1364 H  HB3  . PHE   A 1 94  ? -12.515 -12.778 -11.143 1.00 81.12  ? 339 PHE   A HB3  1 
ATOM   1365 H  HD1  . PHE   A 1 94  ? -13.981 -13.963 -13.011 1.00 82.82  ? 339 PHE   A HD1  1 
ATOM   1366 H  HD2  . PHE   A 1 94  ? -12.570 -10.230 -13.253 1.00 97.61  ? 339 PHE   A HD2  1 
ATOM   1367 H  HE1  . PHE   A 1 94  ? -14.203 -14.029 -15.302 1.00 92.25  ? 339 PHE   A HE1  1 
ATOM   1368 H  HE2  . PHE   A 1 94  ? -12.790 -10.293 -15.543 1.00 103.46 ? 339 PHE   A HE2  1 
ATOM   1369 H  HZ   . PHE   A 1 94  ? -13.608 -12.193 -16.573 1.00 107.01 ? 339 PHE   A HZ   1 
ATOM   1370 N  N    . LYS   A 1 95  ? -14.264 -11.633 -8.246  1.00 67.64  ? 340 LYS   A N    1 
ATOM   1371 C  CA   . LYS   A 1 95  ? -13.868 -11.891 -6.869  1.00 61.16  ? 340 LYS   A CA   1 
ATOM   1372 C  C    . LYS   A 1 95  ? -14.731 -12.946 -6.190  1.00 67.03  ? 340 LYS   A C    1 
ATOM   1373 O  O    . LYS   A 1 95  ? -14.362 -13.420 -5.110  1.00 56.52  ? 340 LYS   A O    1 
ATOM   1374 C  CB   . LYS   A 1 95  ? -13.901 -10.585 -6.072  1.00 59.08  ? 340 LYS   A CB   1 
ATOM   1375 C  CG   . LYS   A 1 95  ? -12.551 -9.888  -6.015  1.00 60.12  ? 340 LYS   A CG   1 
ATOM   1376 C  CD   . LYS   A 1 95  ? -12.670 -8.378  -6.116  1.00 65.70  ? 340 LYS   A CD   1 
ATOM   1377 C  CE   . LYS   A 1 95  ? -11.354 -7.705  -5.739  1.00 82.19  ? 340 LYS   A CE   1 
ATOM   1378 N  NZ   . LYS   A 1 95  ? -11.297 -6.275  -6.155  1.00 81.45  ? 340 LYS   A NZ   1 
ATOM   1379 H  H    . LYS   A 1 95  ? -14.597 -10.851 -8.381  1.00 81.22  ? 340 LYS   A H    1 
ATOM   1380 H  HA   . LYS   A 1 95  ? -12.953 -12.214 -6.866  1.00 73.43  ? 340 LYS   A HA   1 
ATOM   1381 H  HB2  . LYS   A 1 95  ? -14.533 -9.979  -6.488  1.00 70.94  ? 340 LYS   A HB2  1 
ATOM   1382 H  HB3  . LYS   A 1 95  ? -14.176 -10.779 -5.163  1.00 70.94  ? 340 LYS   A HB3  1 
ATOM   1383 H  HG2  . LYS   A 1 95  ? -12.120 -10.100 -5.172  1.00 72.20  ? 340 LYS   A HG2  1 
ATOM   1384 H  HG3  . LYS   A 1 95  ? -12.003 -10.197 -6.754  1.00 72.20  ? 340 LYS   A HG3  1 
ATOM   1385 H  HD2  . LYS   A 1 95  ? -12.890 -8.133  -7.028  1.00 78.89  ? 340 LYS   A HD2  1 
ATOM   1386 H  HD3  . LYS   A 1 95  ? -13.358 -8.068  -5.507  1.00 78.89  ? 340 LYS   A HD3  1 
ATOM   1387 H  HE2  . LYS   A 1 95  ? -11.245 -7.741  -4.776  1.00 98.68  ? 340 LYS   A HE2  1 
ATOM   1388 H  HE3  . LYS   A 1 95  ? -10.624 -8.172  -6.174  1.00 98.68  ? 340 LYS   A HE3  1 
ATOM   1389 H  HZ1  . LYS   A 1 95  ? -10.516 -5.920  -5.918  1.00 97.79  ? 340 LYS   A HZ1  1 
ATOM   1390 H  HZ2  . LYS   A 1 95  ? -11.387 -6.211  -7.038  1.00 97.79  ? 340 LYS   A HZ2  1 
ATOM   1391 H  HZ3  . LYS   A 1 95  ? -11.953 -5.818  -5.764  1.00 97.79  ? 340 LYS   A HZ3  1 
ATOM   1392 N  N    . GLN   A 1 96  ? -15.858 -13.332 -6.792  1.00 65.91  ? 341 GLN   A N    1 
ATOM   1393 C  CA   . GLN   A 1 96  ? -16.668 -14.405 -6.229  1.00 59.82  ? 341 GLN   A CA   1 
ATOM   1394 C  C    . GLN   A 1 96  ? -16.000 -15.762 -6.380  1.00 62.35  ? 341 GLN   A C    1 
ATOM   1395 O  O    . GLN   A 1 96  ? -16.398 -16.716 -5.705  1.00 71.12  ? 341 GLN   A O    1 
ATOM   1396 C  CB   . GLN   A 1 96  ? -18.045 -14.435 -6.896  1.00 68.99  ? 341 GLN   A CB   1 
ATOM   1397 C  CG   . GLN   A 1 96  ? -17.995 -14.613 -8.414  1.00 77.41  ? 341 GLN   A CG   1 
ATOM   1398 C  CD   . GLN   A 1 96  ? -19.322 -15.045 -9.011  1.00 77.20  ? 341 GLN   A CD   1 
ATOM   1399 O  OE1  . GLN   A 1 96  ? -20.029 -15.885 -8.451  1.00 91.00  ? 341 GLN   A OE1  1 
ATOM   1400 N  NE2  . GLN   A 1 96  ? -19.665 -14.474 -10.160 1.00 83.25  ? 341 GLN   A NE2  1 
ATOM   1401 H  H    . GLN   A 1 96  ? -16.169 -12.992 -7.518  1.00 79.14  ? 341 GLN   A H    1 
ATOM   1402 H  HA   . GLN   A 1 96  ? -16.798 -14.238 -5.282  1.00 71.83  ? 341 GLN   A HA   1 
ATOM   1403 H  HB2  . GLN   A 1 96  ? -18.554 -15.175 -6.528  1.00 82.83  ? 341 GLN   A HB2  1 
ATOM   1404 H  HB3  . GLN   A 1 96  ? -18.500 -13.599 -6.711  1.00 82.83  ? 341 GLN   A HB3  1 
ATOM   1405 H  HG2  . GLN   A 1 96  ? -17.745 -13.769 -8.822  1.00 92.94  ? 341 GLN   A HG2  1 
ATOM   1406 H  HG3  . GLN   A 1 96  ? -17.336 -15.292 -8.630  1.00 92.94  ? 341 GLN   A HG3  1 
ATOM   1407 H  HE21 . GLN   A 1 96  ? -19.146 -13.892 -10.522 1.00 99.94  ? 341 GLN   A HE21 1 
ATOM   1408 H  HE22 . GLN   A 1 96  ? -20.407 -14.684 -10.540 1.00 99.94  ? 341 GLN   A HE22 1 
ATOM   1409 N  N    . TYR   A 1 97  ? -15.000 -15.871 -7.252  1.00 65.11  ? 342 TYR   A N    1 
ATOM   1410 C  CA   . TYR   A 1 97  ? -14.358 -17.148 -7.521  1.00 63.11  ? 342 TYR   A CA   1 
ATOM   1411 C  C    . TYR   A 1 97  ? -13.290 -17.492 -6.496  1.00 61.07  ? 342 TYR   A C    1 
ATOM   1412 O  O    . TYR   A 1 97  ? -12.830 -18.639 -6.463  1.00 60.80  ? 342 TYR   A O    1 
ATOM   1413 C  CB   . TYR   A 1 97  ? -13.765 -17.136 -8.933  1.00 60.69  ? 342 TYR   A CB   1 
ATOM   1414 C  CG   . TYR   A 1 97  ? -14.813 -16.885 -9.990  1.00 59.27  ? 342 TYR   A CG   1 
ATOM   1415 C  CD1  . TYR   A 1 97  ? -15.978 -17.639 -10.027 1.00 68.36  ? 342 TYR   A CD1  1 
ATOM   1416 C  CD2  . TYR   A 1 97  ? -14.659 -15.876 -10.927 1.00 68.57  ? 342 TYR   A CD2  1 
ATOM   1417 C  CE1  . TYR   A 1 97  ? -16.950 -17.412 -10.977 1.00 62.26  ? 342 TYR   A CE1  1 
ATOM   1418 C  CE2  . TYR   A 1 97  ? -15.629 -15.639 -11.886 1.00 75.39  ? 342 TYR   A CE2  1 
ATOM   1419 C  CZ   . TYR   A 1 97  ? -16.773 -16.412 -11.904 1.00 63.85  ? 342 TYR   A CZ   1 
ATOM   1420 O  OH   . TYR   A 1 97  ? -17.746 -16.187 -12.849 1.00 70.46  ? 342 TYR   A OH   1 
ATOM   1421 H  H    . TYR   A 1 97  ? -14.675 -15.214 -7.702  1.00 78.18  ? 342 TYR   A H    1 
ATOM   1422 H  HA   . TYR   A 1 97  ? -15.031 -17.846 -7.491  1.00 75.78  ? 342 TYR   A HA   1 
ATOM   1423 H  HB2  . TYR   A 1 97  ? -13.101 -16.431 -8.993  1.00 72.88  ? 342 TYR   A HB2  1 
ATOM   1424 H  HB3  . TYR   A 1 97  ? -13.354 -17.996 -9.113  1.00 72.88  ? 342 TYR   A HB3  1 
ATOM   1425 H  HD1  . TYR   A 1 97  ? -16.102 -18.317 -9.402  1.00 82.08  ? 342 TYR   A HD1  1 
ATOM   1426 H  HD2  . TYR   A 1 97  ? -13.888 -15.355 -10.917 1.00 82.33  ? 342 TYR   A HD2  1 
ATOM   1427 H  HE1  . TYR   A 1 97  ? -17.722 -17.931 -10.991 1.00 74.76  ? 342 TYR   A HE1  1 
ATOM   1428 H  HE2  . TYR   A 1 97  ? -15.512 -14.963 -12.513 1.00 90.52  ? 342 TYR   A HE2  1 
ATOM   1429 H  HH   . TYR   A 1 97  ? -17.517 -15.554 -13.351 1.00 84.60  ? 342 TYR   A HH   1 
ATOM   1430 N  N    . TRP   A 1 98  ? -12.889 -16.538 -5.661  1.00 59.06  ? 343 TRP   A N    1 
ATOM   1431 C  CA   . TRP   A 1 98  ? -12.106 -16.879 -4.487  1.00 51.51  ? 343 TRP   A CA   1 
ATOM   1432 C  C    . TRP   A 1 98  ? -12.852 -17.920 -3.665  1.00 55.24  ? 343 TRP   A C    1 
ATOM   1433 O  O    . TRP   A 1 98  ? -14.086 -17.927 -3.607  1.00 64.58  ? 343 TRP   A O    1 
ATOM   1434 C  CB   . TRP   A 1 98  ? -11.853 -15.642 -3.623  1.00 58.18  ? 343 TRP   A CB   1 
ATOM   1435 C  CG   . TRP   A 1 98  ? -10.880 -14.639 -4.163  1.00 46.68  ? 343 TRP   A CG   1 
ATOM   1436 C  CD1  . TRP   A 1 98  ? -11.144 -13.341 -4.484  1.00 46.09  ? 343 TRP   A CD1  1 
ATOM   1437 C  CD2  . TRP   A 1 98  ? -9.484  -14.839 -4.415  1.00 45.81  ? 343 TRP   A CD2  1 
ATOM   1438 N  NE1  . TRP   A 1 98  ? -10.001 -12.720 -4.924  1.00 63.68  ? 343 TRP   A NE1  1 
ATOM   1439 C  CE2  . TRP   A 1 98  ? -8.967  -13.618 -4.892  1.00 50.87  ? 343 TRP   A CE2  1 
ATOM   1440 C  CE3  . TRP   A 1 98  ? -8.622  -15.930 -4.285  1.00 52.43  ? 343 TRP   A CE3  1 
ATOM   1441 C  CZ2  . TRP   A 1 98  ? -7.629  -13.460 -5.243  1.00 46.75  ? 343 TRP   A CZ2  1 
ATOM   1442 C  CZ3  . TRP   A 1 98  ? -7.296  -15.772 -4.633  1.00 57.67  ? 343 TRP   A CZ3  1 
ATOM   1443 C  CH2  . TRP   A 1 98  ? -6.811  -14.545 -5.108  1.00 57.93  ? 343 TRP   A CH2  1 
ATOM   1444 H  H    . TRP   A 1 98  ? -13.056 -15.699 -5.752  1.00 70.92  ? 343 TRP   A H    1 
ATOM   1445 H  HA   . TRP   A 1 98  ? -11.251 -17.250 -4.759  1.00 61.85  ? 343 TRP   A HA   1 
ATOM   1446 H  HB2  . TRP   A 1 98  ? -12.698 -15.184 -3.495  1.00 69.86  ? 343 TRP   A HB2  1 
ATOM   1447 H  HB3  . TRP   A 1 98  ? -11.515 -15.937 -2.763  1.00 69.86  ? 343 TRP   A HB3  1 
ATOM   1448 H  HD1  . TRP   A 1 98  ? -11.977 -12.934 -4.411  1.00 55.35  ? 343 TRP   A HD1  1 
ATOM   1449 H  HE1  . TRP   A 1 98  ? -9.945  -11.901 -5.182  1.00 76.47  ? 343 TRP   A HE1  1 
ATOM   1450 H  HE3  . TRP   A 1 98  ? -8.935  -16.747 -3.969  1.00 62.96  ? 343 TRP   A HE3  1 
ATOM   1451 H  HZ2  . TRP   A 1 98  ? -7.306  -12.648 -5.561  1.00 56.14  ? 343 TRP   A HZ2  1 
ATOM   1452 H  HZ3  . TRP   A 1 98  ? -6.713  -16.492 -4.551  1.00 69.25  ? 343 TRP   A HZ3  1 
ATOM   1453 H  HH2  . TRP   A 1 98  ? -5.913  -14.469 -5.336  1.00 69.56  ? 343 TRP   A HH2  1 
ATOM   1454 N  N    . ASN   A 1 99  ? -12.099 -18.813 -3.032  1.00 68.28  ? 344 ASN   A N    1 
ATOM   1455 C  CA   . ASN   A 1 99  ? -12.681 -19.693 -2.030  1.00 66.46  ? 344 ASN   A CA   1 
ATOM   1456 C  C    . ASN   A 1 99  ? -13.082 -18.894 -0.797  1.00 55.32  ? 344 ASN   A C    1 
ATOM   1457 O  O    . ASN   A 1 99  ? -12.502 -17.850 -0.491  1.00 52.43  ? 344 ASN   A O    1 
ATOM   1458 C  CB   . ASN   A 1 99  ? -11.693 -20.784 -1.631  1.00 61.19  ? 344 ASN   A CB   1 
ATOM   1459 C  CG   . ASN   A 1 99  ? -11.568 -21.859 -2.674  1.00 53.10  ? 344 ASN   A CG   1 
ATOM   1460 O  OD1  . ASN   A 1 99  ? -12.563 -22.314 -3.234  1.00 60.35  ? 344 ASN   A OD1  1 
ATOM   1461 N  ND2  . ASN   A 1 99  ? -10.337 -22.275 -2.946  1.00 70.41  ? 344 ASN   A ND2  1 
ATOM   1462 H  H    . ASN   A 1 99  ? -11.256 -18.928 -3.163  1.00 81.98  ? 344 ASN   A H    1 
ATOM   1463 H  HA   . ASN   A 1 99  ? -13.475 -20.116 -2.394  1.00 79.80  ? 344 ASN   A HA   1 
ATOM   1464 H  HB2  . ASN   A 1 99  ? -10.818 -20.387 -1.503  1.00 73.47  ? 344 ASN   A HB2  1 
ATOM   1465 H  HB3  . ASN   A 1 99  ? -11.995 -21.199 -0.808  1.00 73.47  ? 344 ASN   A HB3  1 
ATOM   1466 H  HD21 . ASN   A 1 99  ? -10.211 -22.889 -3.535  1.00 84.53  ? 344 ASN   A HD21 1 
ATOM   1467 H  HD22 . ASN   A 1 99  ? -9.666  -21.932 -2.532  1.00 84.53  ? 344 ASN   A HD22 1 
ATOM   1468 N  N    . ARG   A 1 100 ? -14.088 -19.394 -0.085  1.00 58.24  ? 345 ARG   A N    1 
ATOM   1469 C  CA   . ARG   A 1 100 ? -14.532 -18.713 1.123   1.00 73.80  ? 345 ARG   A CA   1 
ATOM   1470 C  C    . ARG   A 1 100 ? -13.369 -18.592 2.097   1.00 68.72  ? 345 ARG   A C    1 
ATOM   1471 O  O    . ARG   A 1 100 ? -12.617 -19.549 2.312   1.00 64.21  ? 345 ARG   A O    1 
ATOM   1472 C  CB   . ARG   A 1 100 ? -15.695 -19.461 1.774   1.00 74.88  ? 345 ARG   A CB   1 
ATOM   1473 C  CG   . ARG   A 1 100 ? -16.349 -18.663 2.884   1.00 94.21  ? 345 ARG   A CG   1 
ATOM   1474 C  CD   . ARG   A 1 100 ? -17.549 -19.369 3.491   1.00 117.18 ? 345 ARG   A CD   1 
ATOM   1475 N  NE   . ARG   A 1 100 ? -17.925 -18.756 4.764   1.00 131.39 ? 345 ARG   A NE   1 
ATOM   1476 C  CZ   . ARG   A 1 100 ? -19.110 -18.887 5.352   1.00 134.64 ? 345 ARG   A CZ   1 
ATOM   1477 N  NH1  . ARG   A 1 100 ? -19.337 -18.284 6.510   1.00 127.20 ? 345 ARG   A NH1  1 
ATOM   1478 N  NH2  . ARG   A 1 100 ? -20.071 -19.607 4.787   1.00 145.17 ? 345 ARG   A NH2  1 
ATOM   1479 H  H    . ARG   A 1 100 ? -14.522 -20.111 -0.275  1.00 69.94  ? 345 ARG   A H    1 
ATOM   1480 H  HA   . ARG   A 1 100 ? -14.833 -17.820 0.895   1.00 88.60  ? 345 ARG   A HA   1 
ATOM   1481 H  HB2  . ARG   A 1 100 ? -16.368 -19.647 1.100   1.00 89.90  ? 345 ARG   A HB2  1 
ATOM   1482 H  HB3  . ARG   A 1 100 ? -15.365 -20.290 2.153   1.00 89.90  ? 345 ARG   A HB3  1 
ATOM   1483 H  HG2  . ARG   A 1 100 ? -15.701 -18.515 3.590   1.00 113.10 ? 345 ARG   A HG2  1 
ATOM   1484 H  HG3  . ARG   A 1 100 ? -16.650 -17.814 2.527   1.00 113.10 ? 345 ARG   A HG3  1 
ATOM   1485 H  HD2  . ARG   A 1 100 ? -18.303 -19.301 2.884   1.00 140.66 ? 345 ARG   A HD2  1 
ATOM   1486 H  HD3  . ARG   A 1 100 ? -17.328 -20.299 3.653   1.00 140.66 ? 345 ARG   A HD3  1 
ATOM   1487 H  HE   . ARG   A 1 100 ? -17.335 -18.274 5.163   1.00 157.71 ? 345 ARG   A HE   1 
ATOM   1488 H  HH11 . ARG   A 1 100 ? -18.719 -17.814 6.878   1.00 152.69 ? 345 ARG   A HH11 1 
ATOM   1489 H  HH12 . ARG   A 1 100 ? -20.103 -18.363 6.893   1.00 152.69 ? 345 ARG   A HH12 1 
ATOM   1490 H  HH21 . ARG   A 1 100 ? -19.928 -20.000 4.035   1.00 174.25 ? 345 ARG   A HH21 1 
ATOM   1491 H  HH22 . ARG   A 1 100 ? -20.834 -19.685 5.174   1.00 174.25 ? 345 ARG   A HH22 1 
ATOM   1492 N  N    . GLY   A 1 101 ? -13.216 -17.405 2.678   1.00 60.14  ? 346 GLY   A N    1 
ATOM   1493 C  CA   . GLY   A 1 101 ? -12.091 -17.130 3.541   1.00 68.13  ? 346 GLY   A CA   1 
ATOM   1494 C  C    . GLY   A 1 101 ? -10.810 -16.796 2.813   1.00 69.41  ? 346 GLY   A C    1 
ATOM   1495 O  O    . GLY   A 1 101 ? -9.786  -16.569 3.469   1.00 80.70  ? 346 GLY   A O    1 
ATOM   1496 H  H    . GLY   A 1 101 ? -13.757 -16.743 2.583   1.00 72.21  ? 346 GLY   A H    1 
ATOM   1497 H  HA2  . GLY   A 1 101 ? -12.311 -16.383 4.119   1.00 81.81  ? 346 GLY   A HA2  1 
ATOM   1498 H  HA3  . GLY   A 1 101 ? -11.925 -17.905 4.100   1.00 81.81  ? 346 GLY   A HA3  1 
ATOM   1499 N  N    . GLU   A 1 102 ? -10.829 -16.768 1.485   1.00 63.22  ? 347 GLU   A N    1 
ATOM   1500 C  CA   . GLU   A 1 102 ? -9.678  -16.368 0.699   1.00 65.62  ? 347 GLU   A CA   1 
ATOM   1501 C  C    . GLU   A 1 102 ? -10.002 -15.087 -0.059  1.00 63.80  ? 347 GLU   A C    1 
ATOM   1502 O  O    . GLU   A 1 102 ? -11.176 -14.795 -0.313  1.00 62.02  ? 347 GLU   A O    1 
ATOM   1503 C  CB   . GLU   A 1 102 ? -9.272  -17.457 -0.305  1.00 64.19  ? 347 GLU   A CB   1 
ATOM   1504 C  CG   . GLU   A 1 102 ? -9.200  -18.871 0.264   1.00 69.06  ? 347 GLU   A CG   1 
ATOM   1505 C  CD   . GLU   A 1 102 ? -8.011  -19.084 1.182   1.00 67.71  ? 347 GLU   A CD   1 
ATOM   1506 O  OE1  . GLU   A 1 102 ? -7.077  -18.256 1.153   1.00 73.36  ? 347 GLU   A OE1  1 
ATOM   1507 O  OE2  . GLU   A 1 102 ? -8.008  -20.085 1.928   1.00 63.70  ? 347 GLU   A OE2  1 
ATOM   1508 H  H    . GLU   A 1 102 ? -11.514 -16.982 1.010   1.00 75.91  ? 347 GLU   A H    1 
ATOM   1509 H  HA   . GLU   A 1 102 ? -8.927  -16.196 1.288   1.00 78.79  ? 347 GLU   A HA   1 
ATOM   1510 H  HB2  . GLU   A 1 102 ? -9.918  -17.466 -1.028  1.00 77.08  ? 347 GLU   A HB2  1 
ATOM   1511 H  HB3  . GLU   A 1 102 ? -8.394  -17.239 -0.657  1.00 77.08  ? 347 GLU   A HB3  1 
ATOM   1512 H  HG2  . GLU   A 1 102 ? -10.006 -19.047 0.773   1.00 82.92  ? 347 GLU   A HG2  1 
ATOM   1513 H  HG3  . GLU   A 1 102 ? -9.128  -19.502 -0.470  1.00 82.92  ? 347 GLU   A HG3  1 
ATOM   1514 N  N    . PRO   A 1 103 ? -8.990  -14.285 -0.415  1.00 55.34  ? 348 PRO   A N    1 
ATOM   1515 C  CA   . PRO   A 1 103 ? -7.579  -14.461 -0.061  1.00 59.68  ? 348 PRO   A CA   1 
ATOM   1516 C  C    . PRO   A 1 103 ? -7.310  -14.041 1.375   1.00 61.03  ? 348 PRO   A C    1 
ATOM   1517 O  O    . PRO   A 1 103 ? -7.806  -12.998 1.799   1.00 67.33  ? 348 PRO   A O    1 
ATOM   1518 C  CB   . PRO   A 1 103 ? -6.856  -13.544 -1.048  1.00 66.56  ? 348 PRO   A CB   1 
ATOM   1519 C  CG   . PRO   A 1 103 ? -7.837  -12.461 -1.319  1.00 54.01  ? 348 PRO   A CG   1 
ATOM   1520 C  CD   . PRO   A 1 103 ? -9.197  -13.095 -1.255  1.00 48.77  ? 348 PRO   A CD   1 
ATOM   1521 H  HA   . PRO   A 1 103 ? -7.299  -15.380 -0.197  1.00 71.66  ? 348 PRO   A HA   1 
ATOM   1522 H  HB2  . PRO   A 1 103 ? -6.052  -13.189 -0.639  1.00 79.92  ? 348 PRO   A HB2  1 
ATOM   1523 H  HB3  . PRO   A 1 103 ? -6.647  -14.033 -1.859  1.00 79.92  ? 348 PRO   A HB3  1 
ATOM   1524 H  HG2  . PRO   A 1 103 ? -7.752  -11.771 -0.642  1.00 64.86  ? 348 PRO   A HG2  1 
ATOM   1525 H  HG3  . PRO   A 1 103 ? -7.676  -12.093 -2.202  1.00 64.86  ? 348 PRO   A HG3  1 
ATOM   1526 H  HD2  . PRO   A 1 103 ? -9.831  -12.492 -0.836  1.00 58.56  ? 348 PRO   A HD2  1 
ATOM   1527 H  HD3  . PRO   A 1 103 ? -9.490  -13.355 -2.143  1.00 58.56  ? 348 PRO   A HD3  1 
ATOM   1528 N  N    . ASN   A 1 104 ? -6.542  -14.841 2.114   1.00 66.13  ? 349 ASN   A N    1 
ATOM   1529 C  CA   . ASN   A 1 104 ? -6.251  -14.551 3.510   1.00 68.30  ? 349 ASN   A CA   1 
ATOM   1530 C  C    . ASN   A 1 104 ? -4.809  -14.133 3.763   1.00 63.05  ? 349 ASN   A C    1 
ATOM   1531 O  O    . ASN   A 1 104 ? -4.514  -13.630 4.853   1.00 69.82  ? 349 ASN   A O    1 
ATOM   1532 C  CB   . ASN   A 1 104 ? -6.584  -15.771 4.379   1.00 68.40  ? 349 ASN   A CB   1 
ATOM   1533 C  CG   . ASN   A 1 104 ? -5.946  -17.043 3.864   1.00 64.99  ? 349 ASN   A CG   1 
ATOM   1534 O  OD1  . ASN   A 1 104 ? -4.863  -17.018 3.277   1.00 66.63  ? 349 ASN   A OD1  1 
ATOM   1535 N  ND2  . ASN   A 1 104 ? -6.622  -18.165 4.070   1.00 57.64  ? 349 ASN   A ND2  1 
ATOM   1536 H  H    . ASN   A 1 104 ? -6.176  -15.563 1.824   1.00 79.40  ? 349 ASN   A H    1 
ATOM   1537 H  HA   . ASN   A 1 104 ? -6.822  -13.821 3.799   1.00 82.00  ? 349 ASN   A HA   1 
ATOM   1538 H  HB2  . ASN   A 1 104 ? -6.261  -15.616 5.280   1.00 82.13  ? 349 ASN   A HB2  1 
ATOM   1539 H  HB3  . ASN   A 1 104 ? -7.546  -15.900 4.389   1.00 82.13  ? 349 ASN   A HB3  1 
ATOM   1540 H  HD21 . ASN   A 1 104 ? -6.304  -18.915 3.796   1.00 69.21  ? 349 ASN   A HD21 1 
ATOM   1541 H  HD22 . ASN   A 1 104 ? -7.377  -18.142 4.482   1.00 69.21  ? 349 ASN   A HD22 1 
ATOM   1542 N  N    . ASN   A 1 105 ? -3.908  -14.334 2.800   1.00 68.61  ? 350 ASN   A N    1 
ATOM   1543 C  CA   . ASN   A 1 105 ? -2.534  -13.839 2.896   1.00 64.70  ? 350 ASN   A CA   1 
ATOM   1544 C  C    . ASN   A 1 105 ? -1.831  -14.387 4.136   1.00 62.04  ? 350 ASN   A C    1 
ATOM   1545 O  O    . ASN   A 1 105 ? -1.098  -13.675 4.824   1.00 67.24  ? 350 ASN   A O    1 
ATOM   1546 C  CB   . ASN   A 1 105 ? -2.509  -12.309 2.888   1.00 67.07  ? 350 ASN   A CB   1 
ATOM   1547 C  CG   . ASN   A 1 105 ? -1.113  -11.747 2.698   1.00 75.24  ? 350 ASN   A CG   1 
ATOM   1548 O  OD1  . ASN   A 1 105 ? -0.573  -11.758 1.592   1.00 84.81  ? 350 ASN   A OD1  1 
ATOM   1549 N  ND2  . ASN   A 1 105 ? -0.526  -11.244 3.776   1.00 74.56  ? 350 ASN   A ND2  1 
ATOM   1550 H  H    . ASN   A 1 105 ? -4.071  -14.761 2.071   1.00 82.37  ? 350 ASN   A H    1 
ATOM   1551 H  HA   . ASN   A 1 105 ? -2.040  -14.145 2.119   1.00 77.69  ? 350 ASN   A HA   1 
ATOM   1552 H  HB2  . ASN   A 1 105 ? -3.064  -11.988 2.160   1.00 80.54  ? 350 ASN   A HB2  1 
ATOM   1553 H  HB3  . ASN   A 1 105 ? -2.851  -11.983 3.735   1.00 80.54  ? 350 ASN   A HB3  1 
ATOM   1554 H  HD21 . ASN   A 1 105 ? 0.266   -10.913 3.719   1.00 89.51  ? 350 ASN   A HD21 1 
ATOM   1555 H  HD22 . ASN   A 1 105 ? -0.935  -11.252 4.532   1.00 89.51  ? 350 ASN   A HD22 1 
ATOM   1556 N  N    . VAL   A 1 106 ? -2.084  -15.664 4.444   1.00 65.64  ? 351 VAL   A N    1 
ATOM   1557 C  CA   . VAL   A 1 106 ? -1.497  -16.327 5.647   1.00 65.46  ? 351 VAL   A CA   1 
ATOM   1558 C  C    . VAL   A 1 106 ? -0.015  -16.597 5.375   1.00 67.50  ? 351 VAL   A C    1 
ATOM   1559 O  O    . VAL   A 1 106 ? 0.284   -17.384 4.460   1.00 74.52  ? 351 VAL   A O    1 
ATOM   1560 C  CB   . VAL   A 1 106 ? -2.276  -17.603 6.039   1.00 61.11  ? 351 VAL   A CB   1 
ATOM   1561 C  CG1  . VAL   A 1 106 ? -2.337  -18.650 4.936   1.00 74.46  ? 351 VAL   A CG1  1 
ATOM   1562 C  CG2  . VAL   A 1 106 ? -1.727  -18.220 7.314   1.00 72.57  ? 351 VAL   A CG2  1 
ATOM   1563 H  H    . VAL   A 1 106 ? -2.610  -16.207 3.935   1.00 78.81  ? 351 VAL   A H    1 
ATOM   1564 H  HA   . VAL   A 1 106 ? -1.555  -15.702 6.390   1.00 78.60  ? 351 VAL   A HA   1 
ATOM   1565 H  HB   . VAL   A 1 106 ? -3.205  -17.323 6.226   1.00 73.38  ? 351 VAL   A HB   1 
ATOM   1566 H  HG11 . VAL   A 1 106 ? -3.010  -19.317 5.162   1.00 89.39  ? 351 VAL   A HG11 1 
ATOM   1567 H  HG12 . VAL   A 1 106 ? -2.576  -18.228 4.095   1.00 89.39  ? 351 VAL   A HG12 1 
ATOM   1568 H  HG13 . VAL   A 1 106 ? -1.473  -19.084 4.848   1.00 89.39  ? 351 VAL   A HG13 1 
ATOM   1569 H  HG21 . VAL   A 1 106 ? -2.292  -18.967 7.581   1.00 87.13  ? 351 VAL   A HG21 1 
ATOM   1570 H  HG22 . VAL   A 1 106 ? -0.822  -18.539 7.158   1.00 87.13  ? 351 VAL   A HG22 1 
ATOM   1571 H  HG23 . VAL   A 1 106 ? -1.720  -17.551 8.020   1.00 87.13  ? 351 VAL   A HG23 1 
ATOM   1572 N  N    . GLY   A 1 107 ? 0.881   -15.948 6.121   1.00 65.73  ? 352 GLY   A N    1 
ATOM   1573 C  CA   . GLY   A 1 107 ? 2.336   -16.107 5.938   1.00 72.01  ? 352 GLY   A CA   1 
ATOM   1574 C  C    . GLY   A 1 107 ? 2.816   -15.344 4.720   1.00 79.91  ? 352 GLY   A C    1 
ATOM   1575 O  O    . GLY   A 1 107 ? 3.914   -15.676 4.242   1.00 85.01  ? 352 GLY   A O    1 
ATOM   1576 H  H    . GLY   A 1 107 ? 0.640   -15.346 6.760   1.00 78.93  ? 352 GLY   A H    1 
ATOM   1577 H  HA2  . GLY   A 1 107 ? 2.803   -15.771 6.743   1.00 86.46  ? 352 GLY   A HA2  1 
ATOM   1578 H  HA3  . GLY   A 1 107 ? 2.548   -17.068 5.831   1.00 86.46  ? 352 GLY   A HA3  1 
ATOM   1579 N  N    . GLU   A 1 108 ? 2.043   -14.363 4.240   1.00 65.64  ? 353 GLU   A N    1 
ATOM   1580 C  CA   . GLU   A 1 108 ? 2.366   -13.569 3.022   1.00 74.93  ? 353 GLU   A CA   1 
ATOM   1581 C  C    . GLU   A 1 108 ? 2.156   -14.472 1.806   1.00 71.56  ? 353 GLU   A C    1 
ATOM   1582 O  O    . GLU   A 1 108 ? 2.957   -15.408 1.635   1.00 77.89  ? 353 GLU   A O    1 
ATOM   1583 C  CB   . GLU   A 1 108 ? 3.780   -12.985 3.074   1.00 90.62  ? 353 GLU   A CB   1 
ATOM   1584 C  CG   . GLU   A 1 108 ? 4.072   -12.221 4.352   1.00 99.17  ? 353 GLU   A CG   1 
ATOM   1585 C  CD   . GLU   A 1 108 ? 3.067   -11.129 4.670   1.00 100.09 ? 353 GLU   A CD   1 
ATOM   1586 O  OE1  . GLU   A 1 108 ? 2.932   -10.196 3.854   1.00 101.76 ? 353 GLU   A OE1  1 
ATOM   1587 O  OE2  . GLU   A 1 108 ? 2.413   -11.220 5.726   1.00 86.77  ? 353 GLU   A OE2  1 
ATOM   1588 H  H    . GLU   A 1 108 ? 1.249   -14.134 4.625   1.00 78.81  ? 353 GLU   A H    1 
ATOM   1589 H  HA   . GLU   A 1 108 ? 1.724   -12.825 2.966   1.00 89.96  ? 353 GLU   A HA   1 
ATOM   1590 H  HB2  . GLU   A 1 108 ? 4.431   -13.706 2.975   1.00 108.79 ? 353 GLU   A HB2  1 
ATOM   1591 H  HB3  . GLU   A 1 108 ? 3.891   -12.378 2.313   1.00 108.79 ? 353 GLU   A HB3  1 
ATOM   1592 H  HG2  . GLU   A 1 108 ? 4.095   -12.851 5.103   1.00 119.04 ? 353 GLU   A HG2  1 
ATOM   1593 H  HG3  . GLU   A 1 108 ? 4.961   -11.813 4.282   1.00 119.04 ? 353 GLU   A HG3  1 
ATOM   1594 N  N    . GLU   A 1 109 ? 1.131   -14.209 0.992   1.00 66.58  ? 354 GLU   A N    1 
ATOM   1595 C  CA   . GLU   A 1 109 ? 0.784   -15.042 -0.155  1.00 69.51  ? 354 GLU   A CA   1 
ATOM   1596 C  C    . GLU   A 1 109 ? 0.342   -14.128 -1.287  1.00 70.98  ? 354 GLU   A C    1 
ATOM   1597 O  O    . GLU   A 1 109 ? -0.668  -13.430 -1.161  1.00 80.71  ? 354 GLU   A O    1 
ATOM   1598 C  CB   . GLU   A 1 109 ? -0.320  -16.041 0.209   1.00 60.46  ? 354 GLU   A CB   1 
ATOM   1599 C  CG   . GLU   A 1 109 ? 0.121   -17.083 1.231   1.00 69.80  ? 354 GLU   A CG   1 
ATOM   1600 C  CD   . GLU   A 1 109 ? -1.018  -17.951 1.735   1.00 65.54  ? 354 GLU   A CD   1 
ATOM   1601 O  OE1  . GLU   A 1 109 ? -2.188  -17.530 1.625   1.00 64.94  ? 354 GLU   A OE1  1 
ATOM   1602 O  OE2  . GLU   A 1 109 ? -0.738  -19.057 2.244   1.00 63.91  ? 354 GLU   A OE2  1 
ATOM   1603 H  H    . GLU   A 1 109 ? 0.628   -13.516 1.077   1.00 79.94  ? 354 GLU   A H    1 
ATOM   1604 H  HA   . GLU   A 1 109 ? 1.566   -15.537 -0.445  1.00 83.46  ? 354 GLU   A HA   1 
ATOM   1605 H  HB2  . GLU   A 1 109 ? -1.072  -15.556 0.583   1.00 72.60  ? 354 GLU   A HB2  1 
ATOM   1606 H  HB3  . GLU   A 1 109 ? -0.596  -16.510 -0.594  1.00 72.60  ? 354 GLU   A HB3  1 
ATOM   1607 H  HG2  . GLU   A 1 109 ? 0.780   -17.665 0.822   1.00 83.80  ? 354 GLU   A HG2  1 
ATOM   1608 H  HG3  . GLU   A 1 109 ? 0.510   -16.629 1.995   1.00 83.80  ? 354 GLU   A HG3  1 
ATOM   1609 N  N    . ASP   A 1 110 ? 1.094   -14.132 -2.389  1.00 63.67  ? 355 ASP   A N    1 
ATOM   1610 C  CA   . ASP   A 1 110 ? 0.942   -13.118 -3.426  1.00 68.07  ? 355 ASP   A CA   1 
ATOM   1611 C  C    . ASP   A 1 110 ? 0.610   -13.684 -4.802  1.00 66.86  ? 355 ASP   A C    1 
ATOM   1612 O  O    . ASP   A 1 110 ? 0.646   -12.934 -5.786  1.00 64.57  ? 355 ASP   A O    1 
ATOM   1613 C  CB   . ASP   A 1 110 ? 2.221   -12.285 -3.512  1.00 70.63  ? 355 ASP   A CB   1 
ATOM   1614 C  CG   . ASP   A 1 110 ? 2.581   -11.646 -2.192  1.00 73.54  ? 355 ASP   A CG   1 
ATOM   1615 O  OD1  . ASP   A 1 110 ? 1.669   -11.105 -1.529  1.00 77.71  ? 355 ASP   A OD1  1 
ATOM   1616 O  OD2  . ASP   A 1 110 ? 3.771   -11.697 -1.812  1.00 69.94  ? 355 ASP   A OD2  1 
ATOM   1617 H  H    . ASP   A 1 110 ? 1.702   -14.716 -2.558  1.00 76.45  ? 355 ASP   A H    1 
ATOM   1618 H  HA   . ASP   A 1 110 ? 0.220   -12.522 -3.172  1.00 81.73  ? 355 ASP   A HA   1 
ATOM   1619 H  HB2  . ASP   A 1 110 ? 2.956   -12.859 -3.780  1.00 84.80  ? 355 ASP   A HB2  1 
ATOM   1620 H  HB3  . ASP   A 1 110 ? 2.096   -11.578 -4.165  1.00 84.80  ? 355 ASP   A HB3  1 
ATOM   1621 N  N    . CYS   A 1 111 ? 0.287   -14.970 -4.906  1.00 61.56  ? 356 CYS   A N    1 
ATOM   1622 C  CA   . CYS   A 1 111 ? -0.064  -15.574 -6.183  1.00 60.03  ? 356 CYS   A CA   1 
ATOM   1623 C  C    . CYS   A 1 111 ? -1.299  -16.448 -6.012  1.00 60.87  ? 356 CYS   A C    1 
ATOM   1624 O  O    . CYS   A 1 111 ? -1.532  -17.020 -4.944  1.00 67.61  ? 356 CYS   A O    1 
ATOM   1625 C  CB   . CYS   A 1 111 ? 1.098   -16.398 -6.750  1.00 56.33  ? 356 CYS   A CB   1 
ATOM   1626 S  SG   . CYS   A 1 111 ? 2.501   -15.395 -7.330  1.00 57.38  ? 356 CYS   A SG   1 
ATOM   1627 H  H    . CYS   A 1 111 ? 0.264   -15.517 -4.244  1.00 73.92  ? 356 CYS   A H    1 
ATOM   1628 H  HA   . CYS   A 1 111 ? -0.276  -14.874 -6.819  1.00 72.08  ? 356 CYS   A HA   1 
ATOM   1629 H  HB2  . CYS   A 1 111 ? 1.426   -16.993 -6.058  1.00 67.64  ? 356 CYS   A HB2  1 
ATOM   1630 H  HB3  . CYS   A 1 111 ? 0.775   -16.918 -7.503  1.00 67.64  ? 356 CYS   A HB3  1 
ATOM   1631 N  N    . ALA   A 1 112 ? -2.091  -16.541 -7.077  1.00 59.77  ? 357 ALA   A N    1 
ATOM   1632 C  CA   . ALA   A 1 112 ? -3.381  -17.211 -7.037  1.00 67.24  ? 357 ALA   A CA   1 
ATOM   1633 C  C    . ALA   A 1 112 ? -3.329  -18.539 -7.781  1.00 51.78  ? 357 ALA   A C    1 
ATOM   1634 O  O    . ALA   A 1 112 ? -2.621  -18.688 -8.779  1.00 49.22  ? 357 ALA   A O    1 
ATOM   1635 C  CB   . ALA   A 1 112 ? -4.477  -16.329 -7.642  1.00 61.63  ? 357 ALA   A CB   1 
ATOM   1636 H  H    . ALA   A 1 112 ? -1.896  -16.215 -7.849  1.00 71.77  ? 357 ALA   A H    1 
ATOM   1637 H  HA   . ALA   A 1 112 ? -3.616  -17.392 -6.113  1.00 80.73  ? 357 ALA   A HA   1 
ATOM   1638 H  HB1  . ALA   A 1 112 ? -5.323  -16.803 -7.600  1.00 74.00  ? 357 ALA   A HB1  1 
ATOM   1639 H  HB2  . ALA   A 1 112 ? -4.535  -15.505 -7.134  1.00 74.00  ? 357 ALA   A HB2  1 
ATOM   1640 H  HB3  . ALA   A 1 112 ? -4.252  -16.134 -8.565  1.00 74.00  ? 357 ALA   A HB3  1 
ATOM   1641 N  N    . GLU   A 1 113 ? -4.106  -19.500 -7.285  1.00 58.99  ? 358 GLU   A N    1 
ATOM   1642 C  CA   . GLU   A 1 113 ? -4.127  -20.849 -7.827  1.00 62.61  ? 358 GLU   A CA   1 
ATOM   1643 C  C    . GLU   A 1 113 ? -5.558  -21.359 -7.858  1.00 70.23  ? 358 GLU   A C    1 
ATOM   1644 O  O    . GLU   A 1 113 ? -6.437  -20.846 -7.162  1.00 66.58  ? 358 GLU   A O    1 
ATOM   1645 C  CB   . GLU   A 1 113 ? -3.267  -21.808 -6.992  1.00 57.68  ? 358 GLU   A CB   1 
ATOM   1646 C  CG   . GLU   A 1 113 ? -3.632  -21.811 -5.506  1.00 68.31  ? 358 GLU   A CG   1 
ATOM   1647 C  CD   . GLU   A 1 113 ? -3.299  -23.117 -4.800  1.00 68.26  ? 358 GLU   A CD   1 
ATOM   1648 O  OE1  . GLU   A 1 113 ? -3.762  -23.308 -3.653  1.00 61.23  ? 358 GLU   A OE1  1 
ATOM   1649 O  OE2  . GLU   A 1 113 ? -2.577  -23.949 -5.387  1.00 59.51  ? 358 GLU   A OE2  1 
ATOM   1650 H  H    . GLU   A 1 113 ? -4.640  -19.388 -6.621  1.00 70.83  ? 358 GLU   A H    1 
ATOM   1651 H  HA   . GLU   A 1 113 ? -3.784  -20.838 -8.735  1.00 75.18  ? 358 GLU   A HA   1 
ATOM   1652 H  HB2  . GLU   A 1 113 ? -3.385  -22.710 -7.329  1.00 69.27  ? 358 GLU   A HB2  1 
ATOM   1653 H  HB3  . GLU   A 1 113 ? -2.337  -21.545 -7.070  1.00 69.27  ? 358 GLU   A HB3  1 
ATOM   1654 H  HG2  . GLU   A 1 113 ? -3.144  -21.100 -5.062  1.00 82.02  ? 358 GLU   A HG2  1 
ATOM   1655 H  HG3  . GLU   A 1 113 ? -4.586  -21.661 -5.417  1.00 82.02  ? 358 GLU   A HG3  1 
ATOM   1656 N  N    . PHE   A 1 114 ? -5.779  -22.387 -8.675  1.00 65.80  ? 359 PHE   A N    1 
ATOM   1657 C  CA   . PHE   A 1 114 ? -7.015  -23.156 -8.614  1.00 63.58  ? 359 PHE   A CA   1 
ATOM   1658 C  C    . PHE   A 1 114 ? -6.888  -24.191 -7.503  1.00 65.47  ? 359 PHE   A C    1 
ATOM   1659 O  O    . PHE   A 1 114 ? -6.014  -25.063 -7.561  1.00 60.24  ? 359 PHE   A O    1 
ATOM   1660 C  CB   . PHE   A 1 114 ? -7.303  -23.844 -9.946  1.00 70.76  ? 359 PHE   A CB   1 
ATOM   1661 C  CG   . PHE   A 1 114 ? -7.501  -22.900 -11.099 1.00 66.09  ? 359 PHE   A CG   1 
ATOM   1662 C  CD1  . PHE   A 1 114 ? -8.728  -22.297 -11.316 1.00 56.35  ? 359 PHE   A CD1  1 
ATOM   1663 C  CD2  . PHE   A 1 114 ? -6.465  -22.635 -11.981 1.00 63.72  ? 359 PHE   A CD2  1 
ATOM   1664 C  CE1  . PHE   A 1 114 ? -8.913  -21.438 -12.382 1.00 55.79  ? 359 PHE   A CE1  1 
ATOM   1665 C  CE2  . PHE   A 1 114 ? -6.645  -21.777 -13.046 1.00 54.88  ? 359 PHE   A CE2  1 
ATOM   1666 C  CZ   . PHE   A 1 114 ? -7.871  -21.179 -13.247 1.00 52.87  ? 359 PHE   A CZ   1 
ATOM   1667 H  H    . PHE   A 1 114 ? -5.225  -22.659 -9.274  1.00 79.00  ? 359 PHE   A H    1 
ATOM   1668 H  HA   . PHE   A 1 114 ? -7.755  -22.565 -8.404  1.00 76.34  ? 359 PHE   A HA   1 
ATOM   1669 H  HB2  . PHE   A 1 114 ? -6.556  -24.424 -10.164 1.00 84.95  ? 359 PHE   A HB2  1 
ATOM   1670 H  HB3  . PHE   A 1 114 ? -8.111  -24.373 -9.855  1.00 84.95  ? 359 PHE   A HB3  1 
ATOM   1671 H  HD1  . PHE   A 1 114 ? -9.434  -22.469 -10.735 1.00 67.66  ? 359 PHE   A HD1  1 
ATOM   1672 H  HD2  . PHE   A 1 114 ? -5.637  -23.037 -11.849 1.00 76.51  ? 359 PHE   A HD2  1 
ATOM   1673 H  HE1  . PHE   A 1 114 ? -9.740  -21.035 -12.515 1.00 67.00  ? 359 PHE   A HE1  1 
ATOM   1674 H  HE2  . PHE   A 1 114 ? -5.942  -21.604 -13.629 1.00 65.90  ? 359 PHE   A HE2  1 
ATOM   1675 H  HZ   . PHE   A 1 114 ? -7.994  -20.600 -13.964 1.00 63.49  ? 359 PHE   A HZ   1 
ATOM   1676 N  N    . SER   A 1 115 ? -7.749  -24.085 -6.491  1.00 74.19  ? 360 SER   A N    1 
ATOM   1677 C  CA   . SER   A 1 115 ? -7.793  -25.027 -5.376  1.00 61.28  ? 360 SER   A CA   1 
ATOM   1678 C  C    . SER   A 1 115 ? -9.251  -25.399 -5.152  1.00 62.44  ? 360 SER   A C    1 
ATOM   1679 O  O    . SER   A 1 115 ? -10.033 -24.587 -4.648  1.00 63.36  ? 360 SER   A O    1 
ATOM   1680 C  CB   . SER   A 1 115 ? -7.181  -24.432 -4.106  1.00 68.66  ? 360 SER   A CB   1 
ATOM   1681 O  OG   . SER   A 1 115 ? -7.387  -25.295 -3.001  1.00 66.60  ? 360 SER   A OG   1 
ATOM   1682 H  H    . SER   A 1 115 ? -8.333  -23.458 -6.429  1.00 89.08  ? 360 SER   A H    1 
ATOM   1683 H  HA   . SER   A 1 115 ? -7.301  -25.830 -5.608  1.00 73.59  ? 360 SER   A HA   1 
ATOM   1684 H  HB2  . SER   A 1 115 ? -6.228  -24.311 -4.241  1.00 82.44  ? 360 SER   A HB2  1 
ATOM   1685 H  HB3  . SER   A 1 115 ? -7.602  -23.577 -3.923  1.00 82.44  ? 360 SER   A HB3  1 
ATOM   1686 H  HG   . SER   A 1 115 ? -7.048  -24.961 -2.308  1.00 79.97  ? 360 SER   A HG   1 
ATOM   1687 N  N    . GLY   A 1 116 ? -9.617  -26.618 -5.534  1.00 71.35  ? 361 GLY   A N    1 
ATOM   1688 C  CA   . GLY   A 1 116 ? -10.978 -27.096 -5.374  1.00 70.24  ? 361 GLY   A CA   1 
ATOM   1689 C  C    . GLY   A 1 116 ? -12.035 -26.351 -6.168  1.00 73.44  ? 361 GLY   A C    1 
ATOM   1690 O  O    . GLY   A 1 116 ? -12.012 -26.351 -7.403  1.00 67.15  ? 361 GLY   A O    1 
ATOM   1691 H  H    . GLY   A 1 116 ? -9.086  -27.192 -5.892  1.00 85.67  ? 361 GLY   A H    1 
ATOM   1692 H  HA2  . GLY   A 1 116 ? -11.013 -28.029 -5.637  1.00 84.33  ? 361 GLY   A HA2  1 
ATOM   1693 H  HA3  . GLY   A 1 116 ? -11.219 -27.042 -4.436  1.00 84.33  ? 361 GLY   A HA3  1 
ATOM   1694 N  N    . ASN   A 1 117 ? -12.983 -25.727 -5.466  1.00 69.55  ? 362 ASN   A N    1 
ATOM   1695 C  CA   . ASN   A 1 117 ? -14.099 -25.070 -6.133  1.00 73.88  ? 362 ASN   A CA   1 
ATOM   1696 C  C    . ASN   A 1 117 ? -13.742 -23.694 -6.673  1.00 64.03  ? 362 ASN   A C    1 
ATOM   1697 O  O    . ASN   A 1 117 ? -14.431 -23.201 -7.572  1.00 59.89  ? 362 ASN   A O    1 
ATOM   1698 C  CB   . ASN   A 1 117 ? -15.287 -24.952 -5.171  1.00 93.53  ? 362 ASN   A CB   1 
ATOM   1699 C  CG   . ASN   A 1 117 ? -16.041 -26.261 -5.013  1.00 101.06 ? 362 ASN   A CG   1 
ATOM   1700 O  OD1  . ASN   A 1 117 ? -15.877 -27.186 -5.813  1.00 80.37  ? 362 ASN   A OD1  1 
ATOM   1701 N  ND2  . ASN   A 1 117 ? -16.876 -26.344 -3.983  1.00 106.23 ? 362 ASN   A ND2  1 
ATOM   1702 H  H    . ASN   A 1 117 ? -13.000 -25.672 -4.608  1.00 83.50  ? 362 ASN   A H    1 
ATOM   1703 H  HA   . ASN   A 1 117 ? -14.380 -25.618 -6.883  1.00 88.70  ? 362 ASN   A HA   1 
ATOM   1704 H  HB2  . ASN   A 1 117 ? -14.962 -24.685 -4.297  1.00 112.28 ? 362 ASN   A HB2  1 
ATOM   1705 H  HB3  . ASN   A 1 117 ? -15.906 -24.288 -5.513  1.00 112.28 ? 362 ASN   A HB3  1 
ATOM   1706 H  HD21 . ASN   A 1 117 ? -17.326 -27.065 -3.852  1.00 127.52 ? 362 ASN   A HD21 1 
ATOM   1707 H  HD22 . ASN   A 1 117 ? -16.965 -25.678 -3.447  1.00 127.52 ? 362 ASN   A HD22 1 
ATOM   1708 N  N    . GLY   A 1 118 ? -12.694 -23.075 -6.164  1.00 59.61  ? 363 GLY   A N    1 
ATOM   1709 C  CA   . GLY   A 1 118 ? -12.359 -21.709 -6.530  1.00 61.97  ? 363 GLY   A CA   1 
ATOM   1710 C  C    . GLY   A 1 118 ? -10.880 -21.454 -6.441  1.00 63.19  ? 363 GLY   A C    1 
ATOM   1711 O  O    . GLY   A 1 118 ? -10.064 -22.336 -6.726  1.00 64.10  ? 363 GLY   A O    1 
ATOM   1712 H  H    . GLY   A 1 118 ? -12.152 -23.427 -5.597  1.00 71.58  ? 363 GLY   A H    1 
ATOM   1713 H  HA2  . GLY   A 1 118 ? -12.649 -21.535 -7.439  1.00 74.40  ? 363 GLY   A HA2  1 
ATOM   1714 H  HA3  . GLY   A 1 118 ? -12.816 -21.092 -5.937  1.00 74.40  ? 363 GLY   A HA3  1 
ATOM   1715 N  N    . TRP   A 1 119 ? -10.531 -20.237 -6.040  1.00 66.73  ? 364 TRP   A N    1 
ATOM   1716 C  CA   . TRP   A 1 119 ? -9.153  -19.781 -6.008  1.00 67.68  ? 364 TRP   A CA   1 
ATOM   1717 C  C    . TRP   A 1 119 ? -8.663  -19.646 -4.573  1.00 63.65  ? 364 TRP   A C    1 
ATOM   1718 O  O    . TRP   A 1 119 ? -9.446  -19.483 -3.634  1.00 57.88  ? 364 TRP   A O    1 
ATOM   1719 C  CB   . TRP   A 1 119 ? -9.005  -18.430 -6.715  1.00 66.50  ? 364 TRP   A CB   1 
ATOM   1720 C  CG   . TRP   A 1 119 ? -9.574  -18.379 -8.101  1.00 66.87  ? 364 TRP   A CG   1 
ATOM   1721 C  CD1  . TRP   A 1 119 ? -9.874  -19.435 -8.913  1.00 65.35  ? 364 TRP   A CD1  1 
ATOM   1722 C  CD2  . TRP   A 1 119 ? -9.914  -17.198 -8.837  1.00 66.29  ? 364 TRP   A CD2  1 
ATOM   1723 N  NE1  . TRP   A 1 119 ? -10.377 -18.982 -10.111 1.00 63.12  ? 364 TRP   A NE1  1 
ATOM   1724 C  CE2  . TRP   A 1 119 ? -10.412 -17.613 -10.088 1.00 62.16  ? 364 TRP   A CE2  1 
ATOM   1725 C  CE3  . TRP   A 1 119 ? -9.844  -15.829 -8.560  1.00 57.06  ? 364 TRP   A CE3  1 
ATOM   1726 C  CZ2  . TRP   A 1 119 ? -10.838 -16.709 -11.058 1.00 62.05  ? 364 TRP   A CZ2  1 
ATOM   1727 C  CZ3  . TRP   A 1 119 ? -10.267 -14.933 -9.526  1.00 63.65  ? 364 TRP   A CZ3  1 
ATOM   1728 C  CH2  . TRP   A 1 119 ? -10.757 -15.377 -10.759 1.00 51.34  ? 364 TRP   A CH2  1 
ATOM   1729 H  H    . TRP   A 1 119 ? -11.093 -19.642 -5.775  1.00 80.12  ? 364 TRP   A H    1 
ATOM   1730 H  HA   . TRP   A 1 119 ? -8.590  -20.427 -6.464  1.00 81.27  ? 364 TRP   A HA   1 
ATOM   1731 H  HB2  . TRP   A 1 119 ? -9.457  -17.754 -6.187  1.00 79.85  ? 364 TRP   A HB2  1 
ATOM   1732 H  HB3  . TRP   A 1 119 ? -8.061  -18.216 -6.779  1.00 79.85  ? 364 TRP   A HB3  1 
ATOM   1733 H  HD1  . TRP   A 1 119 ? -9.753  -20.330 -8.690  1.00 78.47  ? 364 TRP   A HD1  1 
ATOM   1734 H  HE1  . TRP   A 1 119 ? -10.630 -19.478 -10.767 1.00 75.79  ? 364 TRP   A HE1  1 
ATOM   1735 H  HE3  . TRP   A 1 119 ? -9.519  -15.526 -7.743  1.00 68.52  ? 364 TRP   A HE3  1 
ATOM   1736 H  HZ2  . TRP   A 1 119 ? -11.164 -17.001 -11.879 1.00 74.51  ? 364 TRP   A HZ2  1 
ATOM   1737 H  HZ3  . TRP   A 1 119 ? -10.225 -14.020 -9.352  1.00 76.43  ? 364 TRP   A HZ3  1 
ATOM   1738 H  HH2  . TRP   A 1 119 ? -11.035 -14.752 -11.389 1.00 61.65  ? 364 TRP   A HH2  1 
ATOM   1739 N  N    . ASN   A 1 120 ? -7.341  -19.705 -4.424  1.00 63.52  ? 365 ASN   A N    1 
ATOM   1740 C  CA   . ASN   A 1 120 ? -6.677  -19.417 -3.164  1.00 57.56  ? 365 ASN   A CA   1 
ATOM   1741 C  C    . ASN   A 1 120 ? -5.378  -18.688 -3.456  1.00 61.58  ? 365 ASN   A C    1 
ATOM   1742 O  O    . ASN   A 1 120 ? -4.727  -18.929 -4.477  1.00 57.88  ? 365 ASN   A O    1 
ATOM   1743 C  CB   . ASN   A 1 120 ? -6.395  -20.693 -2.351  1.00 72.14  ? 365 ASN   A CB   1 
ATOM   1744 C  CG   . ASN   A 1 120 ? -5.256  -20.519 -1.349  1.00 72.06  ? 365 ASN   A CG   1 
ATOM   1745 O  OD1  . ASN   A 1 120 ? -5.350  -19.726 -0.409  1.00 63.17  ? 365 ASN   A OD1  1 
ATOM   1746 N  ND2  . ASN   A 1 120 ? -4.179  -21.279 -1.540  1.00 67.58  ? 365 ASN   A ND2  1 
ATOM   1747 H  H    . ASN   A 1 120 ? -6.798  -19.916 -5.056  1.00 76.27  ? 365 ASN   A H    1 
ATOM   1748 H  HA   . ASN   A 1 120 ? -7.240  -18.834 -2.630  1.00 69.12  ? 365 ASN   A HA   1 
ATOM   1749 H  HB2  . ASN   A 1 120 ? -7.194  -20.936 -1.857  1.00 86.61  ? 365 ASN   A HB2  1 
ATOM   1750 H  HB3  . ASN   A 1 120 ? -6.152  -21.408 -2.960  1.00 86.61  ? 365 ASN   A HB3  1 
ATOM   1751 H  HD21 . ASN   A 1 120 ? -3.510  -21.220 -1.003  1.00 81.14  ? 365 ASN   A HD21 1 
ATOM   1752 H  HD22 . ASN   A 1 120 ? -4.150  -21.824 -2.205  1.00 81.14  ? 365 ASN   A HD22 1 
ATOM   1753 N  N    . ASP   A 1 121 ? -5.022  -17.773 -2.563  1.00 61.82  ? 366 ASP   A N    1 
ATOM   1754 C  CA   . ASP   A 1 121 ? -3.726  -17.118 -2.614  1.00 60.33  ? 366 ASP   A CA   1 
ATOM   1755 C  C    . ASP   A 1 121 ? -2.711  -17.977 -1.873  1.00 64.40  ? 366 ASP   A C    1 
ATOM   1756 O  O    . ASP   A 1 121 ? -2.984  -18.459 -0.768  1.00 69.10  ? 366 ASP   A O    1 
ATOM   1757 C  CB   . ASP   A 1 121 ? -3.802  -15.720 -2.000  1.00 61.89  ? 366 ASP   A CB   1 
ATOM   1758 C  CG   . ASP   A 1 121 ? -4.204  -15.743 -0.531  1.00 70.34  ? 366 ASP   A CG   1 
ATOM   1759 O  OD1  . ASP   A 1 121 ? -4.933  -16.670 -0.121  1.00 62.88  ? 366 ASP   A OD1  1 
ATOM   1760 O  OD2  . ASP   A 1 121 ? -3.793  -14.826 0.214   1.00 70.30  ? 366 ASP   A OD2  1 
ATOM   1761 H  H    . ASP   A 1 121 ? -5.520  -17.513 -1.912  1.00 74.23  ? 366 ASP   A H    1 
ATOM   1762 H  HA   . ASP   A 1 121 ? -3.442  -17.034 -3.538  1.00 72.44  ? 366 ASP   A HA   1 
ATOM   1763 H  HB2  . ASP   A 1 121 ? -2.931  -15.298 -2.066  1.00 74.32  ? 366 ASP   A HB2  1 
ATOM   1764 H  HB3  . ASP   A 1 121 ? -4.462  -15.198 -2.483  1.00 74.32  ? 366 ASP   A HB3  1 
ATOM   1765 N  N    . ASP   A 1 122 ? -1.550  -18.186 -2.492  1.00 61.16  ? 367 ASP   A N    1 
ATOM   1766 C  CA   . ASP   A 1 122 ? -0.492  -18.989 -1.899  1.00 60.08  ? 367 ASP   A CA   1 
ATOM   1767 C  C    . ASP   A 1 122 ? 0.847   -18.314 -2.166  1.00 55.84  ? 367 ASP   A C    1 
ATOM   1768 O  O    . ASP   A 1 122 ? 0.922   -17.270 -2.819  1.00 66.25  ? 367 ASP   A O    1 
ATOM   1769 C  CB   . ASP   A 1 122 ? -0.512  -20.420 -2.445  1.00 58.78  ? 367 ASP   A CB   1 
ATOM   1770 C  CG   . ASP   A 1 122 ? -0.095  -21.443 -1.407  1.00 64.46  ? 367 ASP   A CG   1 
ATOM   1771 O  OD1  . ASP   A 1 122 ? 0.822   -21.144 -0.612  1.00 62.06  ? 367 ASP   A OD1  1 
ATOM   1772 O  OD2  . ASP   A 1 122 ? -0.692  -22.541 -1.379  1.00 62.22  ? 367 ASP   A OD2  1 
ATOM   1773 H  H    . ASP   A 1 122 ? -1.352  -17.869 -3.267  1.00 73.43  ? 367 ASP   A H    1 
ATOM   1774 H  HA   . ASP   A 1 122 ? -0.624  -19.030 -0.939  1.00 72.14  ? 367 ASP   A HA   1 
ATOM   1775 H  HB2  . ASP   A 1 122 ? -1.412  -20.636 -2.735  1.00 70.58  ? 367 ASP   A HB2  1 
ATOM   1776 H  HB3  . ASP   A 1 122 ? 0.102   -20.483 -3.193  1.00 70.58  ? 367 ASP   A HB3  1 
ATOM   1777 N  N    . LYS   A 1 123 ? 1.912   -18.921 -1.650  1.00 56.76  ? 368 LYS   A N    1 
ATOM   1778 C  CA   . LYS   A 1 123 ? 3.251   -18.367 -1.790  1.00 56.11  ? 368 LYS   A CA   1 
ATOM   1779 C  C    . LYS   A 1 123 ? 3.782   -18.625 -3.194  1.00 56.85  ? 368 LYS   A C    1 
ATOM   1780 O  O    . LYS   A 1 123 ? 3.780   -19.763 -3.673  1.00 61.35  ? 368 LYS   A O    1 
ATOM   1781 C  CB   . LYS   A 1 123 ? 4.180   -18.972 -0.739  1.00 68.27  ? 368 LYS   A CB   1 
ATOM   1782 C  CG   . LYS   A 1 123 ? 3.858   -18.507 0.677   1.00 73.74  ? 368 LYS   A CG   1 
ATOM   1783 C  CD   . LYS   A 1 123 ? 4.561   -19.335 1.738   1.00 86.34  ? 368 LYS   A CD   1 
ATOM   1784 C  CE   . LYS   A 1 123 ? 4.287   -18.781 3.134   1.00 108.18 ? 368 LYS   A CE   1 
ATOM   1785 N  NZ   . LYS   A 1 123 ? 4.841   -19.638 4.227   1.00 111.33 ? 368 LYS   A NZ   1 
ATOM   1786 H  H    . LYS   A 1 123 ? 1.884   -19.660 -1.211  1.00 68.15  ? 368 LYS   A H    1 
ATOM   1787 H  HA   . LYS   A 1 123 ? 3.217   -17.408 -1.649  1.00 67.38  ? 368 LYS   A HA   1 
ATOM   1788 H  HB2  . LYS   A 1 123 ? 4.097   -19.938 -0.763  1.00 81.97  ? 368 LYS   A HB2  1 
ATOM   1789 H  HB3  . LYS   A 1 123 ? 5.093   -18.713 -0.939  1.00 81.97  ? 368 LYS   A HB3  1 
ATOM   1790 H  HG2  . LYS   A 1 123 ? 4.142   -17.585 0.779   1.00 88.53  ? 368 LYS   A HG2  1 
ATOM   1791 H  HG3  . LYS   A 1 123 ? 2.902   -18.579 0.824   1.00 88.53  ? 368 LYS   A HG3  1 
ATOM   1792 H  HD2  . LYS   A 1 123 ? 4.235   -20.248 1.703   1.00 103.65 ? 368 LYS   A HD2  1 
ATOM   1793 H  HD3  . LYS   A 1 123 ? 5.519   -19.313 1.583   1.00 103.65 ? 368 LYS   A HD3  1 
ATOM   1794 H  HE2  . LYS   A 1 123 ? 4.692   -17.903 3.209   1.00 129.86 ? 368 LYS   A HE2  1 
ATOM   1795 H  HE3  . LYS   A 1 123 ? 3.328   -18.715 3.263   1.00 129.86 ? 368 LYS   A HE3  1 
ATOM   1796 H  HZ1  . LYS   A 1 123 ? 4.657   -19.277 5.019   1.00 133.64 ? 368 LYS   A HZ1  1 
ATOM   1797 H  HZ2  . LYS   A 1 123 ? 4.479   -20.450 4.189   1.00 133.64 ? 368 LYS   A HZ2  1 
ATOM   1798 H  HZ3  . LYS   A 1 123 ? 5.723   -19.710 4.139   1.00 133.64 ? 368 LYS   A HZ3  1 
ATOM   1799 N  N    . CYS   A 1 124 ? 4.246   -17.560 -3.850  1.00 63.22  ? 369 CYS   A N    1 
ATOM   1800 C  CA   . CYS   A 1 124 ? 4.632   -17.662 -5.253  1.00 60.35  ? 369 CYS   A CA   1 
ATOM   1801 C  C    . CYS   A 1 124 ? 5.795   -18.624 -5.457  1.00 58.02  ? 369 CYS   A C    1 
ATOM   1802 O  O    . CYS   A 1 124 ? 5.925   -19.215 -6.535  1.00 71.19  ? 369 CYS   A O    1 
ATOM   1803 C  CB   . CYS   A 1 124 ? 4.987   -16.279 -5.798  1.00 57.10  ? 369 CYS   A CB   1 
ATOM   1804 S  SG   . CYS   A 1 124 ? 3.640   -15.074 -5.678  1.00 67.31  ? 369 CYS   A SG   1 
ATOM   1805 H  H    . CYS   A 1 124 ? 4.345   -16.777 -3.508  1.00 75.91  ? 369 CYS   A H    1 
ATOM   1806 H  HA   . CYS   A 1 124 ? 3.877   -17.997 -5.761  1.00 72.46  ? 369 CYS   A HA   1 
ATOM   1807 H  HB2  . CYS   A 1 124 ? 5.741   -15.930 -5.297  1.00 68.57  ? 369 CYS   A HB2  1 
ATOM   1808 H  HB3  . CYS   A 1 124 ? 5.226   -16.364 -6.734  1.00 68.57  ? 369 CYS   A HB3  1 
ATOM   1809 N  N    . ASN   A 1 125 ? 6.652   -18.791 -4.453  1.00 50.04  ? 370 ASN   A N    1 
ATOM   1810 C  CA   . ASN   A 1 125 ? 7.775   -19.708 -4.589  1.00 51.42  ? 370 ASN   A CA   1 
ATOM   1811 C  C    . ASN   A 1 125 ? 7.384   -21.156 -4.323  1.00 56.93  ? 370 ASN   A C    1 
ATOM   1812 O  O    . ASN   A 1 125 ? 8.238   -22.044 -4.429  1.00 58.34  ? 370 ASN   A O    1 
ATOM   1813 C  CB   . ASN   A 1 125 ? 8.910   -19.297 -3.651  1.00 54.68  ? 370 ASN   A CB   1 
ATOM   1814 C  CG   . ASN   A 1 125 ? 10.223  -19.968 -4.006  1.00 61.31  ? 370 ASN   A CG   1 
ATOM   1815 O  OD1  . ASN   A 1 125 ? 10.417  -20.410 -5.138  1.00 62.70  ? 370 ASN   A OD1  1 
ATOM   1816 N  ND2  . ASN   A 1 125 ? 11.132  -20.050 -3.039  1.00 67.95  ? 370 ASN   A ND2  1 
ATOM   1817 H  H    . ASN   A 1 125 ? 6.606   -18.390 -3.694  1.00 60.10  ? 370 ASN   A H    1 
ATOM   1818 H  HA   . ASN   A 1 125 ? 8.109   -19.656 -5.498  1.00 61.74  ? 370 ASN   A HA   1 
ATOM   1819 H  HB2  . ASN   A 1 125 ? 9.037   -18.337 -3.709  1.00 65.66  ? 370 ASN   A HB2  1 
ATOM   1820 H  HB3  . ASN   A 1 125 ? 8.679   -19.548 -2.743  1.00 65.66  ? 370 ASN   A HB3  1 
ATOM   1821 H  HD21 . ASN   A 1 125 ? 11.891  -20.422 -3.194  1.00 81.58  ? 370 ASN   A HD21 1 
ATOM   1822 H  HD22 . ASN   A 1 125 ? 10.960  -19.730 -2.260  1.00 81.58  ? 370 ASN   A HD22 1 
ATOM   1823 N  N    . LEU   A 1 126 ? 6.125   -21.414 -3.983  1.00 57.92  ? 371 LEU   A N    1 
ATOM   1824 C  CA   . LEU   A 1 126 ? 5.640   -22.775 -3.810  1.00 55.32  ? 371 LEU   A CA   1 
ATOM   1825 C  C    . LEU   A 1 126 ? 5.388   -23.392 -5.178  1.00 59.99  ? 371 LEU   A C    1 
ATOM   1826 O  O    . LEU   A 1 126 ? 4.739   -22.780 -6.031  1.00 68.03  ? 371 LEU   A O    1 
ATOM   1827 C  CB   . LEU   A 1 126 ? 4.357   -22.774 -2.980  1.00 70.58  ? 371 LEU   A CB   1 
ATOM   1828 C  CG   . LEU   A 1 126 ? 3.889   -24.097 -2.371  1.00 74.83  ? 371 LEU   A CG   1 
ATOM   1829 C  CD1  . LEU   A 1 126 ? 4.829   -24.540 -1.256  1.00 67.93  ? 371 LEU   A CD1  1 
ATOM   1830 C  CD2  . LEU   A 1 126 ? 2.460   -23.968 -1.855  1.00 69.04  ? 371 LEU   A CD2  1 
ATOM   1831 H  H    . LEU   A 1 126 ? 5.528   -20.811 -3.846  1.00 69.55  ? 371 LEU   A H    1 
ATOM   1832 H  HA   . LEU   A 1 126 ? 6.308   -23.305 -3.349  1.00 66.43  ? 371 LEU   A HA   1 
ATOM   1833 H  HB2  . LEU   A 1 126 ? 4.479   -22.153 -2.244  1.00 84.74  ? 371 LEU   A HB2  1 
ATOM   1834 H  HB3  . LEU   A 1 126 ? 3.636   -22.454 -3.545  1.00 84.74  ? 371 LEU   A HB3  1 
ATOM   1835 H  HG   . LEU   A 1 126 ? 3.898   -24.781 -3.058  1.00 89.84  ? 371 LEU   A HG   1 
ATOM   1836 H  HD11 . LEU   A 1 126 ? 4.509   -25.379 -0.889  1.00 81.57  ? 371 LEU   A HD11 1 
ATOM   1837 H  HD12 . LEU   A 1 126 ? 5.719   -24.657 -1.622  1.00 81.57  ? 371 LEU   A HD12 1 
ATOM   1838 H  HD13 . LEU   A 1 126 ? 4.841   -23.860 -0.565  1.00 81.57  ? 371 LEU   A HD13 1 
ATOM   1839 H  HD21 . LEU   A 1 126 ? 2.184   -24.816 -1.474  1.00 82.89  ? 371 LEU   A HD21 1 
ATOM   1840 H  HD22 . LEU   A 1 126 ? 2.431   -23.275 -1.177  1.00 82.89  ? 371 LEU   A HD22 1 
ATOM   1841 H  HD23 . LEU   A 1 126 ? 1.878   -23.732 -2.595  1.00 82.89  ? 371 LEU   A HD23 1 
ATOM   1842 N  N    . ALA   A 1 127 ? 5.903   -24.599 -5.389  1.00 63.52  ? 372 ALA   A N    1 
ATOM   1843 C  CA   . ALA   A 1 127 ? 5.830   -25.232 -6.699  1.00 57.55  ? 372 ALA   A CA   1 
ATOM   1844 C  C    . ALA   A 1 127 ? 4.489   -25.935 -6.881  1.00 58.88  ? 372 ALA   A C    1 
ATOM   1845 O  O    . ALA   A 1 127 ? 4.054   -26.699 -6.014  1.00 58.01  ? 372 ALA   A O    1 
ATOM   1846 C  CB   . ALA   A 1 127 ? 6.980   -26.224 -6.871  1.00 59.57  ? 372 ALA   A CB   1 
ATOM   1847 H  H    . ALA   A 1 127 ? 6.299   -25.071 -4.790  1.00 76.27  ? 372 ALA   A H    1 
ATOM   1848 H  HA   . ALA   A 1 127 ? 5.911   -24.552 -7.387  1.00 69.11  ? 372 ALA   A HA   1 
ATOM   1849 H  HB1  . ALA   A 1 127 ? 6.914   -26.634 -7.747  1.00 71.53  ? 372 ALA   A HB1  1 
ATOM   1850 H  HB2  . ALA   A 1 127 ? 7.821   -25.748 -6.790  1.00 71.53  ? 372 ALA   A HB2  1 
ATOM   1851 H  HB3  . ALA   A 1 127 ? 6.916   -26.903 -6.181  1.00 71.53  ? 372 ALA   A HB3  1 
ATOM   1852 N  N    . LYS   A 1 128 ? 3.837   -25.669 -8.015  1.00 62.57  ? 373 LYS   A N    1 
ATOM   1853 C  CA   . LYS   A 1 128 ? 2.554   -26.264 -8.366  1.00 57.67  ? 373 LYS   A CA   1 
ATOM   1854 C  C    . LYS   A 1 128 ? 2.520   -26.496 -9.872  1.00 60.83  ? 373 LYS   A C    1 
ATOM   1855 O  O    . LYS   A 1 128 ? 3.471   -26.179 -10.593 1.00 63.45  ? 373 LYS   A O    1 
ATOM   1856 C  CB   . LYS   A 1 128 ? 1.379   -25.368 -7.953  1.00 53.29  ? 373 LYS   A CB   1 
ATOM   1857 C  CG   . LYS   A 1 128 ? 1.413   -24.856 -6.531  1.00 49.88  ? 373 LYS   A CG   1 
ATOM   1858 C  CD   . LYS   A 1 128 ? 0.271   -23.881 -6.297  1.00 50.60  ? 373 LYS   A CD   1 
ATOM   1859 C  CE   . LYS   A 1 128 ? 0.190   -23.449 -4.844  1.00 66.84  ? 373 LYS   A CE   1 
ATOM   1860 N  NZ   . LYS   A 1 128 ? -0.152  -24.582 -3.938  1.00 76.34  ? 373 LYS   A NZ   1 
ATOM   1861 H  H    . LYS   A 1 128 ? 4.132   -25.127 -8.615  1.00 75.13  ? 373 LYS   A H    1 
ATOM   1862 H  HA   . LYS   A 1 128 ? 2.461   -27.120 -7.919  1.00 69.25  ? 373 LYS   A HA   1 
ATOM   1863 H  HB2  . LYS   A 1 128 ? 1.362   -24.596 -8.540  1.00 63.99  ? 373 LYS   A HB2  1 
ATOM   1864 H  HB3  . LYS   A 1 128 ? 0.557   -25.873 -8.060  1.00 63.99  ? 373 LYS   A HB3  1 
ATOM   1865 H  HG2  . LYS   A 1 128 ? 1.315   -25.600 -5.916  1.00 59.90  ? 373 LYS   A HG2  1 
ATOM   1866 H  HG3  . LYS   A 1 128 ? 2.251   -24.393 -6.374  1.00 59.90  ? 373 LYS   A HG3  1 
ATOM   1867 H  HD2  . LYS   A 1 128 ? 0.410   -23.091 -6.841  1.00 60.77  ? 373 LYS   A HD2  1 
ATOM   1868 H  HD3  . LYS   A 1 128 ? -0.567  -24.309 -6.533  1.00 60.77  ? 373 LYS   A HD3  1 
ATOM   1869 H  HE2  . LYS   A 1 128 ? 1.050   -23.093 -4.570  1.00 80.25  ? 373 LYS   A HE2  1 
ATOM   1870 H  HE3  . LYS   A 1 128 ? -0.497  -22.771 -4.752  1.00 80.25  ? 373 LYS   A HE3  1 
ATOM   1871 H  HZ1  . LYS   A 1 128 ? -0.192  -24.296 -3.096  1.00 91.65  ? 373 LYS   A HZ1  1 
ATOM   1872 H  HZ2  . LYS   A 1 128 ? -0.942  -24.925 -4.165  1.00 91.65  ? 373 LYS   A HZ2  1 
ATOM   1873 H  HZ3  . LYS   A 1 128 ? 0.468   -25.218 -3.999  1.00 91.65  ? 373 LYS   A HZ3  1 
ATOM   1874 N  N    . PHE   A 1 129 ? 1.404   -27.043 -10.350 1.00 56.52  ? 374 PHE   A N    1 
ATOM   1875 C  CA   . PHE   A 1 129 ? 1.163   -27.160 -11.780 1.00 59.47  ? 374 PHE   A CA   1 
ATOM   1876 C  C    . PHE   A 1 129 ? 0.737   -25.802 -12.337 1.00 63.90  ? 374 PHE   A C    1 
ATOM   1877 O  O    . PHE   A 1 129 ? 0.583   -24.823 -11.601 1.00 64.52  ? 374 PHE   A O    1 
ATOM   1878 C  CB   . PHE   A 1 129 ? 0.106   -28.229 -12.053 1.00 65.33  ? 374 PHE   A CB   1 
ATOM   1879 C  CG   . PHE   A 1 129 ? 0.555   -29.626 -11.726 1.00 68.11  ? 374 PHE   A CG   1 
ATOM   1880 C  CD1  . PHE   A 1 129 ? 1.326   -30.347 -12.622 1.00 72.76  ? 374 PHE   A CD1  1 
ATOM   1881 C  CD2  . PHE   A 1 129 ? 0.198   -30.223 -10.529 1.00 62.50  ? 374 PHE   A CD2  1 
ATOM   1882 C  CE1  . PHE   A 1 129 ? 1.737   -31.634 -12.326 1.00 68.79  ? 374 PHE   A CE1  1 
ATOM   1883 C  CE2  . PHE   A 1 129 ? 0.607   -31.506 -10.232 1.00 56.65  ? 374 PHE   A CE2  1 
ATOM   1884 C  CZ   . PHE   A 1 129 ? 1.376   -32.211 -11.130 1.00 64.68  ? 374 PHE   A CZ   1 
ATOM   1885 H  H    . PHE   A 1 129 ? 0.769   -27.355 -9.862  1.00 67.87  ? 374 PHE   A H    1 
ATOM   1886 H  HA   . PHE   A 1 129 ? 1.984   -27.426 -12.222 1.00 71.41  ? 374 PHE   A HA   1 
ATOM   1887 H  HB2  . PHE   A 1 129 ? -0.679  -28.036 -11.517 1.00 78.45  ? 374 PHE   A HB2  1 
ATOM   1888 H  HB3  . PHE   A 1 129 ? -0.125  -28.205 -12.995 1.00 78.45  ? 374 PHE   A HB3  1 
ATOM   1889 H  HD1  . PHE   A 1 129 ? 1.573   -29.961 -13.431 1.00 87.36  ? 374 PHE   A HD1  1 
ATOM   1890 H  HD2  . PHE   A 1 129 ? -0.321  -29.752 -9.918  1.00 75.04  ? 374 PHE   A HD2  1 
ATOM   1891 H  HE1  . PHE   A 1 129 ? 2.257   -32.108 -12.934 1.00 82.59  ? 374 PHE   A HE1  1 
ATOM   1892 H  HE2  . PHE   A 1 129 ? 0.362   -31.896 -9.423  1.00 68.03  ? 374 PHE   A HE2  1 
ATOM   1893 H  HZ   . PHE   A 1 129 ? 1.652   -33.076 -10.929 1.00 77.66  ? 374 PHE   A HZ   1 
ATOM   1894 N  N    . TRP   A 1 130 ? 0.542   -25.726 -13.654 1.00 58.19  ? 375 TRP   A N    1 
ATOM   1895 C  CA   . TRP   A 1 130 ? 0.173   -24.455 -14.261 1.00 53.87  ? 375 TRP   A CA   1 
ATOM   1896 C  C    . TRP   A 1 130 ? -0.550  -24.700 -15.575 1.00 56.63  ? 375 TRP   A C    1 
ATOM   1897 O  O    . TRP   A 1 130 ? -0.473  -25.784 -16.159 1.00 54.94  ? 375 TRP   A O    1 
ATOM   1898 C  CB   . TRP   A 1 130 ? 1.399   -23.562 -14.480 1.00 62.09  ? 375 TRP   A CB   1 
ATOM   1899 C  CG   . TRP   A 1 130 ? 2.285   -23.977 -15.614 1.00 60.57  ? 375 TRP   A CG   1 
ATOM   1900 C  CD1  . TRP   A 1 130 ? 2.191   -23.579 -16.917 1.00 66.38  ? 375 TRP   A CD1  1 
ATOM   1901 C  CD2  . TRP   A 1 130 ? 3.415   -24.854 -15.544 1.00 58.40  ? 375 TRP   A CD2  1 
ATOM   1902 N  NE1  . TRP   A 1 130 ? 3.189   -24.161 -17.662 1.00 70.08  ? 375 TRP   A NE1  1 
ATOM   1903 C  CE2  . TRP   A 1 130 ? 3.954   -24.946 -16.841 1.00 59.37  ? 375 TRP   A CE2  1 
ATOM   1904 C  CE3  . TRP   A 1 130 ? 4.020   -25.573 -14.511 1.00 61.12  ? 375 TRP   A CE3  1 
ATOM   1905 C  CZ2  . TRP   A 1 130 ? 5.066   -25.730 -17.131 1.00 51.13  ? 375 TRP   A CZ2  1 
ATOM   1906 C  CZ3  . TRP   A 1 130 ? 5.123   -26.351 -14.804 1.00 62.04  ? 375 TRP   A CZ3  1 
ATOM   1907 C  CH2  . TRP   A 1 130 ? 5.635   -26.422 -16.101 1.00 49.41  ? 375 TRP   A CH2  1 
ATOM   1908 H  H    . TRP   A 1 130 ? 0.616   -26.382 -14.204 1.00 69.87  ? 375 TRP   A H    1 
ATOM   1909 H  HA   . TRP   A 1 130 ? -0.435  -23.987 -13.667 1.00 64.69  ? 375 TRP   A HA   1 
ATOM   1910 H  HB2  . TRP   A 1 130 ? 1.095   -22.659 -14.662 1.00 74.56  ? 375 TRP   A HB2  1 
ATOM   1911 H  HB3  . TRP   A 1 130 ? 1.934   -23.569 -13.672 1.00 74.56  ? 375 TRP   A HB3  1 
ATOM   1912 H  HD1  . TRP   A 1 130 ? 1.546   -22.998 -17.251 1.00 79.71  ? 375 TRP   A HD1  1 
ATOM   1913 H  HE1  . TRP   A 1 130 ? 3.314   -24.048 -18.506 1.00 84.15  ? 375 TRP   A HE1  1 
ATOM   1914 H  HE3  . TRP   A 1 130 ? 3.686   -25.531 -13.644 1.00 73.39  ? 375 TRP   A HE3  1 
ATOM   1915 H  HZ2  . TRP   A 1 130 ? 5.408   -25.782 -17.994 1.00 61.40  ? 375 TRP   A HZ2  1 
ATOM   1916 H  HZ3  . TRP   A 1 130 ? 5.535   -26.833 -14.124 1.00 74.50  ? 375 TRP   A HZ3  1 
ATOM   1917 H  HH2  . TRP   A 1 130 ? 6.380   -26.954 -16.267 1.00 59.34  ? 375 TRP   A HH2  1 
ATOM   1918 N  N    . ILE   A 1 131 ? -1.251  -23.664 -16.033 1.00 55.16  ? 376 ILE   A N    1 
ATOM   1919 C  CA   . ILE   A 1 131 ? -2.050  -23.716 -17.250 1.00 57.08  ? 376 ILE   A CA   1 
ATOM   1920 C  C    . ILE   A 1 131 ? -1.655  -22.545 -18.137 1.00 65.31  ? 376 ILE   A C    1 
ATOM   1921 O  O    . ILE   A 1 131 ? -1.692  -21.390 -17.698 1.00 56.60  ? 376 ILE   A O    1 
ATOM   1922 C  CB   . ILE   A 1 131 ? -3.560  -23.680 -16.941 1.00 58.49  ? 376 ILE   A CB   1 
ATOM   1923 C  CG1  . ILE   A 1 131 ? -4.024  -25.049 -16.447 1.00 56.58  ? 376 ILE   A CG1  1 
ATOM   1924 C  CG2  . ILE   A 1 131 ? -4.367  -23.276 -18.172 1.00 58.67  ? 376 ILE   A CG2  1 
ATOM   1925 C  CD1  . ILE   A 1 131 ? -5.409  -25.046 -15.839 1.00 48.63  ? 376 ILE   A CD1  1 
ATOM   1926 H  H    . ILE   A 1 131 ? -1.279  -22.899 -15.641 1.00 66.24  ? 376 ILE   A H    1 
ATOM   1927 H  HA   . ILE   A 1 131 ? -1.856  -24.539 -17.726 1.00 68.54  ? 376 ILE   A HA   1 
ATOM   1928 H  HB   . ILE   A 1 131 ? -3.717  -23.028 -16.240 1.00 70.23  ? 376 ILE   A HB   1 
ATOM   1929 H  HG12 . ILE   A 1 131 ? -4.031  -25.665 -17.196 1.00 67.94  ? 376 ILE   A HG12 1 
ATOM   1930 H  HG13 . ILE   A 1 131 ? -3.404  -25.362 -15.770 1.00 67.94  ? 376 ILE   A HG13 1 
ATOM   1931 H  HG21 . ILE   A 1 131 ? -5.310  -23.264 -17.942 1.00 70.45  ? 376 ILE   A HG21 1 
ATOM   1932 H  HG22 . ILE   A 1 131 ? -4.085  -22.393 -18.459 1.00 70.45  ? 376 ILE   A HG22 1 
ATOM   1933 H  HG23 . ILE   A 1 131 ? -4.208  -23.921 -18.879 1.00 70.45  ? 376 ILE   A HG23 1 
ATOM   1934 H  HD11 . ILE   A 1 131 ? -5.629  -25.946 -15.551 1.00 58.40  ? 376 ILE   A HD11 1 
ATOM   1935 H  HD12 . ILE   A 1 131 ? -5.418  -24.444 -15.078 1.00 58.40  ? 376 ILE   A HD12 1 
ATOM   1936 H  HD13 . ILE   A 1 131 ? -6.046  -24.747 -16.506 1.00 58.40  ? 376 ILE   A HD13 1 
ATOM   1937 N  N    . CYS   A 1 132 ? -1.297  -22.842 -19.385 1.00 61.92  ? 377 CYS   A N    1 
ATOM   1938 C  CA   . CYS   A 1 132 ? -0.943  -21.820 -20.356 1.00 55.49  ? 377 CYS   A CA   1 
ATOM   1939 C  C    . CYS   A 1 132 ? -2.126  -21.541 -21.273 1.00 55.75  ? 377 CYS   A C    1 
ATOM   1940 O  O    . CYS   A 1 132 ? -2.993  -22.394 -21.471 1.00 55.35  ? 377 CYS   A O    1 
ATOM   1941 C  CB   . CYS   A 1 132 ? 0.268   -22.242 -21.191 1.00 50.75  ? 377 CYS   A CB   1 
ATOM   1942 S  SG   . CYS   A 1 132 ? 1.763   -22.612 -20.244 1.00 77.45  ? 377 CYS   A SG   1 
ATOM   1943 H  H    . CYS   A 1 132 ? -1.253  -23.643 -19.695 1.00 74.34  ? 377 CYS   A H    1 
ATOM   1944 H  HA   . CYS   A 1 132 ? -0.719  -20.999 -19.890 1.00 66.64  ? 377 CYS   A HA   1 
ATOM   1945 H  HB2  . CYS   A 1 132 ? 0.034   -23.040 -21.690 1.00 60.94  ? 377 CYS   A HB2  1 
ATOM   1946 H  HB3  . CYS   A 1 132 ? 0.482   -21.525 -21.807 1.00 60.94  ? 377 CYS   A HB3  1 
ATOM   1947 N  N    . LYS   A 1 133 ? -2.148  -20.332 -21.833 1.00 61.51  ? 378 LYS   A N    1 
ATOM   1948 C  CA   . LYS   A 1 133 ? -3.219  -19.896 -22.718 1.00 55.96  ? 378 LYS   A CA   1 
ATOM   1949 C  C    . LYS   A 1 133 ? -2.630  -19.143 -23.900 1.00 64.25  ? 378 LYS   A C    1 
ATOM   1950 O  O    . LYS   A 1 133 ? -1.720  -18.325 -23.736 1.00 61.19  ? 378 LYS   A O    1 
ATOM   1951 C  CB   . LYS   A 1 133 ? -4.213  -18.995 -21.976 1.00 50.61  ? 378 LYS   A CB   1 
ATOM   1952 C  CG   . LYS   A 1 133 ? -5.370  -18.475 -22.817 1.00 40.89  ? 378 LYS   A CG   1 
ATOM   1953 C  CD   . LYS   A 1 133 ? -6.278  -17.616 -21.963 1.00 40.75  ? 378 LYS   A CD   1 
ATOM   1954 C  CE   . LYS   A 1 133 ? -7.409  -17.003 -22.746 1.00 47.84  ? 378 LYS   A CE   1 
ATOM   1955 N  NZ   . LYS   A 1 133 ? -8.098  -15.965 -21.930 1.00 60.80  ? 378 LYS   A NZ   1 
ATOM   1956 H  H    . LYS   A 1 133 ? -1.540  -19.737 -21.711 1.00 73.86  ? 378 LYS   A H    1 
ATOM   1957 H  HA   . LYS   A 1 133 ? -3.697  -20.670 -23.053 1.00 67.19  ? 378 LYS   A HA   1 
ATOM   1958 H  HB2  . LYS   A 1 133 ? -4.591  -19.498 -21.238 1.00 60.77  ? 378 LYS   A HB2  1 
ATOM   1959 H  HB3  . LYS   A 1 133 ? -3.733  -18.226 -21.632 1.00 60.77  ? 378 LYS   A HB3  1 
ATOM   1960 H  HG2  . LYS   A 1 133 ? -5.026  -17.933 -23.544 1.00 49.11  ? 378 LYS   A HG2  1 
ATOM   1961 H  HG3  . LYS   A 1 133 ? -5.884  -19.222 -23.161 1.00 49.11  ? 378 LYS   A HG3  1 
ATOM   1962 H  HD2  . LYS   A 1 133 ? -6.662  -18.165 -21.261 1.00 48.94  ? 378 LYS   A HD2  1 
ATOM   1963 H  HD3  . LYS   A 1 133 ? -5.757  -16.896 -21.574 1.00 48.94  ? 378 LYS   A HD3  1 
ATOM   1964 H  HE2  . LYS   A 1 133 ? -7.058  -16.582 -23.546 1.00 57.46  ? 378 LYS   A HE2  1 
ATOM   1965 H  HE3  . LYS   A 1 133 ? -8.053  -17.690 -22.977 1.00 57.46  ? 378 LYS   A HE3  1 
ATOM   1966 H  HZ1  . LYS   A 1 133 ? -8.766  -15.605 -22.397 1.00 73.01  ? 378 LYS   A HZ1  1 
ATOM   1967 H  HZ2  . LYS   A 1 133 ? -8.428  -16.330 -21.189 1.00 73.01  ? 378 LYS   A HZ2  1 
ATOM   1968 H  HZ3  . LYS   A 1 133 ? -7.524  -15.323 -21.706 1.00 73.01  ? 378 LYS   A HZ3  1 
ATOM   1969 N  N    . LYS   A 1 134 ? -3.157  -19.425 -25.090 1.00 65.27  ? 379 LYS   A N    1 
ATOM   1970 C  CA   . LYS   A 1 134 ? -2.795  -18.689 -26.292 1.00 63.25  ? 379 LYS   A CA   1 
ATOM   1971 C  C    . LYS   A 1 134 ? -3.996  -18.673 -27.224 1.00 64.89  ? 379 LYS   A C    1 
ATOM   1972 O  O    . LYS   A 1 134 ? -4.926  -19.470 -27.082 1.00 68.07  ? 379 LYS   A O    1 
ATOM   1973 C  CB   . LYS   A 1 134 ? -1.574  -19.301 -26.990 1.00 60.28  ? 379 LYS   A CB   1 
ATOM   1974 C  CG   . LYS   A 1 134 ? -1.842  -20.646 -27.644 1.00 68.06  ? 379 LYS   A CG   1 
ATOM   1975 C  CD   . LYS   A 1 134 ? -0.548  -21.377 -27.991 1.00 66.17  ? 379 LYS   A CD   1 
ATOM   1976 C  CE   . LYS   A 1 134 ? 0.194   -20.718 -29.140 1.00 86.02  ? 379 LYS   A CE   1 
ATOM   1977 N  NZ   . LYS   A 1 134 ? 1.322   -21.562 -29.628 1.00 92.75  ? 379 LYS   A NZ   1 
ATOM   1978 H  H    . LYS   A 1 134 ? -3.734  -20.048 -25.226 1.00 78.37  ? 379 LYS   A H    1 
ATOM   1979 H  HA   . LYS   A 1 134 ? -2.582  -17.773 -26.054 1.00 75.95  ? 379 LYS   A HA   1 
ATOM   1980 H  HB2  . LYS   A 1 134 ? -1.272  -18.691 -27.681 1.00 72.38  ? 379 LYS   A HB2  1 
ATOM   1981 H  HB3  . LYS   A 1 134 ? -0.871  -19.427 -26.333 1.00 72.38  ? 379 LYS   A HB3  1 
ATOM   1982 H  HG2  . LYS   A 1 134 ? -2.350  -21.203 -27.033 1.00 81.71  ? 379 LYS   A HG2  1 
ATOM   1983 H  HG3  . LYS   A 1 134 ? -2.341  -20.508 -28.465 1.00 81.71  ? 379 LYS   A HG3  1 
ATOM   1984 H  HD2  . LYS   A 1 134 ? 0.035   -21.376 -27.215 1.00 79.44  ? 379 LYS   A HD2  1 
ATOM   1985 H  HD3  . LYS   A 1 134 ? -0.757  -22.289 -28.250 1.00 79.44  ? 379 LYS   A HD3  1 
ATOM   1986 H  HE2  . LYS   A 1 134 ? -0.420  -20.577 -29.877 1.00 103.28 ? 379 LYS   A HE2  1 
ATOM   1987 H  HE3  . LYS   A 1 134 ? 0.557   -19.870 -28.840 1.00 103.28 ? 379 LYS   A HE3  1 
ATOM   1988 H  HZ1  . LYS   A 1 134 ? 1.740   -21.154 -30.299 1.00 111.35 ? 379 LYS   A HZ1  1 
ATOM   1989 H  HZ2  . LYS   A 1 134 ? 1.904   -21.703 -28.968 1.00 111.35 ? 379 LYS   A HZ2  1 
ATOM   1990 H  HZ3  . LYS   A 1 134 ? 1.014   -22.347 -29.913 1.00 111.35 ? 379 LYS   A HZ3  1 
ATOM   1991 N  N    . SER   A 1 135 ? -3.969  -17.746 -28.178 1.00 79.17  ? 380 SER   A N    1 
ATOM   1992 C  CA   . SER   A 1 135 ? -5.063  -17.624 -29.131 1.00 75.03  ? 380 SER   A CA   1 
ATOM   1993 C  C    . SER   A 1 135 ? -5.042  -18.783 -30.117 1.00 72.50  ? 380 SER   A C    1 
ATOM   1994 O  O    . SER   A 1 135 ? -3.980  -19.211 -30.580 1.00 69.43  ? 380 SER   A O    1 
ATOM   1995 C  CB   . SER   A 1 135 ? -4.968  -16.300 -29.887 1.00 74.95  ? 380 SER   A CB   1 
ATOM   1996 O  OG   . SER   A 1 135 ? -4.702  -15.225 -29.002 1.00 93.46  ? 380 SER   A OG   1 
ATOM   1997 H  H    . SER   A 1 135 ? -3.333  -17.179 -28.292 1.00 95.04  ? 380 SER   A H    1 
ATOM   1998 H  HA   . SER   A 1 135 ? -5.908  -17.643 -28.655 1.00 90.08  ? 380 SER   A HA   1 
ATOM   1999 H  HB2  . SER   A 1 135 ? -4.250  -16.359 -30.536 1.00 89.98  ? 380 SER   A HB2  1 
ATOM   2000 H  HB3  . SER   A 1 135 ? -5.810  -16.134 -30.339 1.00 89.98  ? 380 SER   A HB3  1 
ATOM   2001 H  HG   . SER   A 1 135 ? -4.653  -14.505 -29.432 1.00 112.20 ? 380 SER   A HG   1 
ATOM   2002 N  N    . ALA   A 1 136 ? -6.226  -19.289 -30.441 1.00 65.45  ? 381 ALA   A N    1 
ATOM   2003 C  CA   . ALA   A 1 136 ? -6.333  -20.379 -31.396 1.00 69.43  ? 381 ALA   A CA   1 
ATOM   2004 C  C    . ALA   A 1 136 ? -6.056  -19.880 -32.810 1.00 69.94  ? 381 ALA   A C    1 
ATOM   2005 O  O    . ALA   A 1 136 ? -6.393  -18.750 -33.177 1.00 62.95  ? 381 ALA   A O    1 
ATOM   2006 C  CB   . ALA   A 1 136 ? -7.719  -21.013 -31.322 1.00 67.40  ? 381 ALA   A CB   1 
ATOM   2007 H  H    . ALA   A 1 136 ? -6.978  -19.020 -30.122 1.00 78.58  ? 381 ALA   A H    1 
ATOM   2008 H  HA   . ALA   A 1 136 ? -5.676  -21.059 -31.179 1.00 83.36  ? 381 ALA   A HA   1 
ATOM   2009 H  HB1  . ALA   A 1 136 ? -7.769  -21.737 -31.966 1.00 80.93  ? 381 ALA   A HB1  1 
ATOM   2010 H  HB2  . ALA   A 1 136 ? -7.861  -21.357 -30.426 1.00 80.93  ? 381 ALA   A HB2  1 
ATOM   2011 H  HB3  . ALA   A 1 136 ? -8.386  -20.340 -31.528 1.00 80.93  ? 381 ALA   A HB3  1 
ATOM   2012 N  N    . ALA   A 1 137 ? -5.435  -20.744 -33.607 1.00 75.32  ? 382 ALA   A N    1 
ATOM   2013 C  CA   . ALA   A 1 137 ? -5.065  -20.393 -34.968 1.00 75.90  ? 382 ALA   A CA   1 
ATOM   2014 C  C    . ALA   A 1 137 ? -6.267  -20.486 -35.895 1.00 85.18  ? 382 ALA   A C    1 
ATOM   2015 O  O    . ALA   A 1 137 ? -7.150  -21.334 -35.725 1.00 86.97  ? 382 ALA   A O    1 
ATOM   2016 C  CB   . ALA   A 1 137 ? -3.954  -21.308 -35.475 1.00 69.07  ? 382 ALA   A CB   1 
ATOM   2017 H  H    . ALA   A 1 137 ? -5.216  -21.544 -33.379 1.00 90.43  ? 382 ALA   A H    1 
ATOM   2018 H  HA   . ALA   A 1 137 ? -4.738  -19.479 -34.985 1.00 91.13  ? 382 ALA   A HA   1 
ATOM   2019 H  HB1  . ALA   A 1 137 ? -3.726  -21.054 -36.383 1.00 82.93  ? 382 ALA   A HB1  1 
ATOM   2020 H  HB2  . ALA   A 1 137 ? -3.179  -21.213 -34.900 1.00 82.93  ? 382 ALA   A HB2  1 
ATOM   2021 H  HB3  . ALA   A 1 137 ? -4.268  -22.226 -35.457 1.00 82.93  ? 382 ALA   A HB3  1 
ATOM   2022 N  N    . SER   A 1 138 ? -6.288  -19.607 -36.892 1.00 92.85  ? 383 SER   A N    1 
ATOM   2023 C  CA   . SER   A 1 138 ? -7.384  -19.566 -37.846 1.00 100.21 ? 383 SER   A CA   1 
ATOM   2024 C  C    . SER   A 1 138 ? -7.168  -20.576 -38.968 1.00 102.51 ? 383 SER   A C    1 
ATOM   2025 O  O    . SER   A 1 138 ? -6.050  -20.751 -39.465 1.00 92.42  ? 383 SER   A O    1 
ATOM   2026 C  CB   . SER   A 1 138 ? -7.525  -18.162 -38.430 1.00 85.26  ? 383 SER   A CB   1 
ATOM   2027 O  OG   . SER   A 1 138 ? -8.321  -18.191 -39.602 1.00 108.56 ? 383 SER   A OG   1 
ATOM   2028 H  H    . SER   A 1 138 ? -5.675  -19.021 -37.036 1.00 111.47 ? 383 SER   A H    1 
ATOM   2029 H  HA   . SER   A 1 138 ? -8.211  -19.790 -37.392 1.00 120.30 ? 383 SER   A HA   1 
ATOM   2030 H  HB2  . SER   A 1 138 ? -7.947  -17.587 -37.774 1.00 102.35 ? 383 SER   A HB2  1 
ATOM   2031 H  HB3  . SER   A 1 138 ? -6.644  -17.822 -38.654 1.00 102.35 ? 383 SER   A HB3  1 
ATOM   2032 H  HG   . SER   A 1 138 ? -8.395  -17.416 -39.919 1.00 130.32 ? 383 SER   A HG   1 
ATOM   2033 N  N    . CYS   A 1 139 ? -8.252  -21.236 -39.365 1.00 94.54  ? 384 CYS   A N    1 
ATOM   2034 C  CA   . CYS   A 1 139 ? -8.216  -22.214 -40.445 1.00 101.51 ? 384 CYS   A CA   1 
ATOM   2035 C  C    . CYS   A 1 139 ? -9.009  -21.723 -41.649 1.00 102.81 ? 384 CYS   A C    1 
ATOM   2036 O  O    . CYS   A 1 139 ? -10.018 -22.324 -42.021 1.00 101.67 ? 384 CYS   A O    1 
ATOM   2037 C  CB   . CYS   A 1 139 ? -8.776  -23.558 -39.978 1.00 104.69 ? 384 CYS   A CB   1 
ATOM   2038 S  SG   . CYS   A 1 139 ? -7.780  -24.419 -38.735 1.00 101.42 ? 384 CYS   A SG   1 
ATOM   2039 H  H    . CYS   A 1 139 ? -9.032  -21.133 -39.018 1.00 113.49 ? 384 CYS   A H    1 
ATOM   2040 H  HA   . CYS   A 1 139 ? -7.296  -22.349 -40.722 1.00 121.86 ? 384 CYS   A HA   1 
ATOM   2041 H  HB2  . CYS   A 1 139 ? -9.655  -23.409 -39.595 1.00 125.67 ? 384 CYS   A HB2  1 
ATOM   2042 H  HB3  . CYS   A 1 139 ? -8.853  -24.144 -40.747 1.00 125.67 ? 384 CYS   A HB3  1 
HETATM 2043 CA CA   . CA    B 2 .   ? -1.444  -11.200 -0.535  1.00 102.20 2 501 CA    A CA   1 
HETATM 2044 CA CA   . CA    C 2 .   ? -4.500  -18.390 1.207   1.00 61.13  2 502 CA    A CA   1 
HETATM 2045 C  C2   . A1H5X D 3 .   ? -1.231  -22.668 2.984   1.00 70.15  ? 503 A1H5X A C2   1 
HETATM 2046 C  C3   . A1H5X D 3 .   ? -2.648  -22.647 2.448   1.00 65.81  ? 503 A1H5X A C3   1 
HETATM 2047 C  C4   . A1H5X D 3 .   ? -3.307  -21.265 2.490   1.00 70.30  ? 503 A1H5X A C4   1 
HETATM 2048 C  C6   . A1H5X D 3 .   ? -4.803  -21.364 2.233   1.00 69.96  ? 503 A1H5X A C6   1 
HETATM 2049 C  C8   . A1H5X D 3 .   ? -5.460  -22.403 3.141   1.00 60.71  ? 503 A1H5X A C8   1 
HETATM 2050 O  O1   . A1H5X D 3 .   ? -0.368  -23.483 2.192   1.00 83.49  ? 503 A1H5X A O1   1 
HETATM 2051 C  C12  . A1H5X D 3 .   ? -5.185  -21.421 6.602   1.00 69.79  ? 503 A1H5X A C12  1 
HETATM 2052 C  C13  . A1H5X D 3 .   ? -4.634  -21.168 7.944   1.00 79.82  ? 503 A1H5X A C13  1 
HETATM 2053 C  C14  . A1H5X D 3 .   ? -3.711  -22.051 8.506   1.00 90.11  ? 503 A1H5X A C14  1 
HETATM 2054 C  C15  . A1H5X D 3 .   ? -3.198  -21.821 9.771   1.00 87.75  ? 503 A1H5X A C15  1 
HETATM 2055 C  C16  . A1H5X D 3 .   ? -3.599  -20.711 10.488  1.00 85.11  ? 503 A1H5X A C16  1 
HETATM 2056 C  C17  . A1H5X D 3 .   ? -4.513  -19.833 9.944   1.00 70.09  ? 503 A1H5X A C17  1 
HETATM 2057 C  C18  . A1H5X D 3 .   ? -5.033  -20.057 8.681   1.00 75.90  ? 503 A1H5X A C18  1 
HETATM 2058 C  C19  . A1H5X D 3 .   ? -4.581  -21.922 5.479   1.00 70.69  ? 503 A1H5X A C19  1 
HETATM 2059 C  C20  . A1H5X D 3 .   ? -4.746  -23.740 2.971   1.00 54.58  ? 503 A1H5X A C20  1 
HETATM 2060 C  C22  . A1H5X D 3 .   ? -4.323  -25.506 1.378   1.00 54.01  ? 503 A1H5X A C22  1 
HETATM 2061 C  C23  . A1H5X D 3 .   ? -4.399  -25.741 -0.117  1.00 75.02  ? 503 A1H5X A C23  1 
HETATM 2062 C  C25  . A1H5X D 3 .   ? -3.294  -24.986 -0.842  1.00 79.29  ? 503 A1H5X A C25  1 
HETATM 2063 N  N10  . A1H5X D 3 .   ? -6.714  -21.501 5.043   1.00 71.29  ? 503 A1H5X A N10  1 
HETATM 2064 N  N11  . A1H5X D 3 .   ? -6.495  -21.177 6.298   1.00 69.03  ? 503 A1H5X A N11  1 
HETATM 2065 N  N26  . A1H5X D 3 .   ? -3.039  -25.610 -2.164  1.00 71.91  ? 503 A1H5X A N26  1 
HETATM 2066 N  N9   . A1H5X D 3 .   ? -5.545  -21.955 4.539   1.00 63.50  ? 503 A1H5X A N9   1 
HETATM 2067 O  O21  . A1H5X D 3 .   ? -4.972  -24.269 1.697   1.00 55.83  ? 503 A1H5X A O21  1 
HETATM 2068 O  O24  . A1H5X D 3 .   ? -5.665  -25.300 -0.622  1.00 78.26  ? 503 A1H5X A O24  1 
HETATM 2069 O  O27  . A1H5X D 3 .   ? -3.364  -23.601 3.248   1.00 54.28  ? 503 A1H5X A O27  1 
HETATM 2070 O  O5   . A1H5X D 3 .   ? -2.734  -20.428 1.489   1.00 65.95  ? 503 A1H5X A O5   1 
HETATM 2071 O  O7   . A1H5X D 3 .   ? -5.442  -20.107 2.428   1.00 66.87  ? 503 A1H5X A O7   1 
HETATM 2072 H  H2B  . A1H5X D 3 .   ? -0.885  -21.762 2.995   1.00 84.22  ? 503 A1H5X A H2B  1 
HETATM 2073 H  H2A  . A1H5X D 3 .   ? -1.243  -23.012 3.891   1.00 84.22  ? 503 A1H5X A H2A  1 
HETATM 2074 H  H3   . A1H5X D 3 .   ? -2.641  -22.958 1.529   1.00 79.01  ? 503 A1H5X A H3   1 
HETATM 2075 H  H4   . A1H5X D 3 .   ? -3.161  -20.870 3.364   1.00 84.40  ? 503 A1H5X A H4   1 
HETATM 2076 H  H6   . A1H5X D 3 .   ? -4.935  -21.639 1.312   1.00 83.99  ? 503 A1H5X A H6   1 
HETATM 2077 H  H8   . A1H5X D 3 .   ? -6.368  -22.524 2.821   1.00 72.90  ? 503 A1H5X A H8   1 
HETATM 2078 H  H1   . A1H5X D 3 .   ? -0.414  -23.238 1.379   1.00 100.23 ? 503 A1H5X A H1   1 
HETATM 2079 H  H14  . A1H5X D 3 .   ? -3.438  -22.800 8.027   1.00 108.18 ? 503 A1H5X A H14  1 
HETATM 2080 H  H15  . A1H5X D 3 .   ? -2.580  -22.412 10.137  1.00 105.34 ? 503 A1H5X A H15  1 
HETATM 2081 H  H16  . A1H5X D 3 .   ? -3.252  -20.556 11.338  1.00 102.18 ? 503 A1H5X A H16  1 
HETATM 2082 H  H17  . A1H5X D 3 .   ? -4.782  -19.087 10.428  1.00 84.16  ? 503 A1H5X A H17  1 
HETATM 2083 H  H18  . A1H5X D 3 .   ? -5.649  -19.460 8.321   1.00 91.12  ? 503 A1H5X A H18  1 
HETATM 2084 H  H19  . A1H5X D 3 .   ? -3.693  -22.182 5.385   1.00 84.87  ? 503 A1H5X A H19  1 
HETATM 2085 H  H20  . A1H5X D 3 .   ? -5.117  -24.356 3.622   1.00 65.55  ? 503 A1H5X A H20  1 
HETATM 2086 H  H22B . A1H5X D 3 .   ? -3.394  -25.465 1.653   1.00 64.86  ? 503 A1H5X A H22B 1 
HETATM 2087 H  H22A . A1H5X D 3 .   ? -4.766  -26.233 1.843   1.00 64.86  ? 503 A1H5X A H22A 1 
HETATM 2088 H  H23  . A1H5X D 3 .   ? -4.301  -26.689 -0.293  1.00 90.07  ? 503 A1H5X A H23  1 
HETATM 2089 H  H25A . A1H5X D 3 .   ? -3.564  -24.063 -0.969  1.00 95.20  ? 503 A1H5X A H25A 1 
HETATM 2090 H  H25B . A1H5X D 3 .   ? -2.482  -25.015 -0.311  1.00 95.20  ? 503 A1H5X A H25B 1 
HETATM 2091 H  H26A . A1H5X D 3 .   ? -3.734  -25.462 -2.700  1.00 86.34  ? 503 A1H5X A H26A 1 
HETATM 2092 H  H26B . A1H5X D 3 .   ? -2.925  -26.487 -2.061  1.00 86.34  ? 503 A1H5X A H26B 1 
HETATM 2093 H  H24  . A1H5X D 3 .   ? -5.552  -24.618 -1.116  1.00 93.96  ? 503 A1H5X A H24  1 
HETATM 2094 H  H5   . A1H5X D 3 .   ? -1.998  -20.763 1.227   1.00 79.18  ? 503 A1H5X A H5   1 
HETATM 2095 H  H7   . A1H5X D 3 .   ? -6.279  -20.226 2.522   1.00 80.29  ? 503 A1H5X A H7   1 
HETATM 2096 H  H26C . A1H5X D 3 .   ? -2.306  -25.255 -2.523  1.00 86.34  ? 503 A1H5X A H26C 1 
HETATM 2097 O  O    . HOH   E 4 .   ? 9.126   -28.132 -16.400 1.00 39.93  ? 601 HOH   A O    1 
HETATM 2098 O  O    . HOH   E 4 .   ? -7.960  -5.812  -5.717  1.00 59.59  ? 602 HOH   A O    1 
HETATM 2099 O  O    . HOH   E 4 .   ? -22.578 -15.309 -21.444 1.00 52.11  ? 603 HOH   A O    1 
HETATM 2100 O  O    . HOH   E 4 .   ? -10.248 -31.351 -6.693  1.00 64.56  ? 604 HOH   A O    1 
HETATM 2101 O  O    . HOH   E 4 .   ? -16.316 -22.154 -10.846 1.00 57.41  ? 605 HOH   A O    1 
HETATM 2102 O  O    . HOH   E 4 .   ? -7.874  -28.481 -7.484  1.00 52.80  ? 606 HOH   A O    1 
HETATM 2103 O  O    . HOH   E 4 .   ? -1.010  -30.869 -6.742  1.00 38.79  ? 607 HOH   A O    1 
HETATM 2104 O  O    . HOH   E 4 .   ? -6.597  -27.500 -19.749 1.00 33.54  ? 608 HOH   A O    1 
HETATM 2105 O  O    . HOH   E 4 .   ? 6.074   -21.477 -30.247 1.00 51.53  ? 609 HOH   A O    1 
HETATM 2106 O  O    . HOH   E 4 .   ? -7.570  -30.517 -5.683  1.00 64.41  ? 610 HOH   A O    1 
HETATM 2107 O  O    . HOH   E 4 .   ? 6.125   -30.233 -4.098  1.00 70.04  ? 611 HOH   A O    1 
HETATM 2108 O  O    . HOH   E 4 .   ? 2.249   -9.151  -13.509 1.00 72.96  ? 612 HOH   A O    1 
# 
