data_9EMR
# 
_entry.id   9EMR 
# 
_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   9EMR         pdb_00009emr 10.2210/pdb9emr/pdb 
WWPDB D_1292137187 ?            ?                   
# 
_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                        9EMR 
_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@unibas.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 3   ? ? ? ? 
2 non-polymer syn 'CALCIUM ION' 40.078    9   ? ? ? ? 
3 non-polymer syn 
;(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
;
381.380   3   ? ? ? ? 
4 water       nat water 18.015    407 ? ? ? ? 
# 
_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,B,C 
_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})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
;
A1H5Y 
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 
A1H5Y non-polymer         . 
;(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
;
? 'C17 H23 N3 O7'  381.380 
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 
B 1 1   GLY 1   246 ?   ?   ?   B . n 
B 1 2   SER 2   247 ?   ?   ?   B . n 
B 1 3   HIS 3   248 ?   ?   ?   B . n 
B 1 4   MET 4   249 ?   ?   ?   B . n 
B 1 5   GLU 5   250 ?   ?   ?   B . n 
B 1 6   ARG 6   251 ?   ?   ?   B . n 
B 1 7   LEU 7   252 ?   ?   ?   B . n 
B 1 8   CYS 8   253 253 CYS CYS B . n 
B 1 9   HIS 9   254 254 HIS HIS B . n 
B 1 10  PRO 10  255 255 PRO PRO B . n 
B 1 11  CYS 11  256 256 CYS CYS B . n 
B 1 12  PRO 12  257 257 PRO PRO B . n 
B 1 13  TRP 13  258 258 TRP TRP B . n 
B 1 14  GLU 14  259 259 GLU GLU B . n 
B 1 15  TRP 15  260 260 TRP TRP B . n 
B 1 16  THR 16  261 261 THR THR B . n 
B 1 17  PHE 17  262 262 PHE PHE B . n 
B 1 18  PHE 18  263 263 PHE PHE B . n 
B 1 19  GLN 19  264 264 GLN GLN B . n 
B 1 20  GLY 20  265 265 GLY GLY B . n 
B 1 21  ASN 21  266 266 ASN ASN B . n 
B 1 22  CYS 22  267 267 CYS CYS B . n 
B 1 23  TYR 23  268 268 TYR TYR B . n 
B 1 24  PHE 24  269 269 PHE PHE B . n 
B 1 25  MET 25  270 270 MET MET B . n 
B 1 26  SER 26  271 271 SER SER B . n 
B 1 27  ASN 27  272 272 ASN ASN B . n 
B 1 28  SER 28  273 273 SER SER B . n 
B 1 29  GLN 29  274 274 GLN GLN B . n 
B 1 30  ARG 30  275 275 ARG ARG B . n 
B 1 31  ASN 31  276 276 ASN ASN B . n 
B 1 32  TRP 32  277 277 TRP TRP B . n 
B 1 33  HIS 33  278 278 HIS HIS B . n 
B 1 34  ASP 34  279 279 ASP ASP B . n 
B 1 35  SER 35  280 280 SER SER B . n 
B 1 36  ILE 36  281 281 ILE ILE B . n 
B 1 37  THR 37  282 282 THR THR B . n 
B 1 38  ALA 38  283 283 ALA ALA B . n 
B 1 39  CYS 39  284 284 CYS CYS B . n 
B 1 40  LYS 40  285 285 LYS LYS B . n 
B 1 41  GLU 41  286 286 GLU GLU B . n 
B 1 42  VAL 42  287 287 VAL VAL B . n 
B 1 43  GLY 43  288 288 GLY GLY B . n 
B 1 44  ALA 44  289 289 ALA ALA B . n 
B 1 45  GLN 45  290 290 GLN GLN B . n 
B 1 46  LEU 46  291 291 LEU LEU B . n 
B 1 47  VAL 47  292 292 VAL VAL B . n 
B 1 48  VAL 48  293 293 VAL VAL B . n 
B 1 49  ILE 49  294 294 ILE ILE B . n 
B 1 50  LYS 50  295 295 LYS LYS B . n 
B 1 51  SER 51  296 296 SER SER B . n 
B 1 52  ALA 52  297 297 ALA ALA B . n 
B 1 53  GLU 53  298 298 GLU GLU B . n 
B 1 54  GLU 54  299 299 GLU GLU B . n 
B 1 55  GLN 55  300 300 GLN GLN B . n 
B 1 56  ASN 56  301 301 ASN ASN B . n 
B 1 57  PHE 57  302 302 PHE PHE B . n 
B 1 58  LEU 58  303 303 LEU LEU B . n 
B 1 59  GLN 59  304 304 GLN GLN B . n 
B 1 60  LEU 60  305 305 LEU LEU B . n 
B 1 61  GLN 61  306 306 GLN GLN B . n 
B 1 62  SER 62  307 307 SER SER B . n 
B 1 63  SER 63  308 308 SER SER B . n 
B 1 64  ARG 64  309 309 ARG ARG B . n 
B 1 65  SER 65  310 310 SER SER B . n 
B 1 66  ASN 66  311 311 ASN ASN B . n 
B 1 67  ARG 67  312 312 ARG ARG B . n 
B 1 68  PHE 68  313 313 PHE PHE B . n 
B 1 69  THR 69  314 314 THR THR B . n 
B 1 70  TRP 70  315 315 TRP TRP B . n 
B 1 71  MET 71  316 316 MET MET B . n 
B 1 72  GLY 72  317 317 GLY GLY B . n 
B 1 73  LEU 73  318 318 LEU LEU B . n 
B 1 74  SER 74  319 319 SER SER B . n 
B 1 75  ASP 75  320 320 ASP ASP B . n 
B 1 76  LEU 76  321 321 LEU LEU B . n 
B 1 77  ASN 77  322 322 ASN ASN B . n 
B 1 78  GLN 78  323 323 GLN GLN B . n 
B 1 79  GLU 79  324 324 GLU GLU B . n 
B 1 80  GLY 80  325 325 GLY GLY B . n 
B 1 81  THR 81  326 326 THR THR B . n 
B 1 82  TRP 82  327 327 TRP TRP B . n 
B 1 83  GLN 83  328 328 GLN GLN B . n 
B 1 84  TRP 84  329 329 TRP TRP B . n 
B 1 85  VAL 85  330 330 VAL VAL B . n 
B 1 86  ASP 86  331 331 ASP ASP B . n 
B 1 87  GLY 87  332 332 GLY GLY B . n 
B 1 88  SER 88  333 333 SER SER B . n 
B 1 89  PRO 89  334 334 PRO PRO B . n 
B 1 90  LEU 90  335 335 LEU LEU B . n 
B 1 91  LEU 91  336 336 LEU LEU B . n 
B 1 92  PRO 92  337 337 PRO PRO B . n 
B 1 93  SER 93  338 338 SER SER B . n 
B 1 94  PHE 94  339 339 PHE PHE B . n 
B 1 95  LYS 95  340 340 LYS LYS B . n 
B 1 96  GLN 96  341 341 GLN GLN B . n 
B 1 97  TYR 97  342 342 TYR TYR B . n 
B 1 98  TRP 98  343 343 TRP TRP B . n 
B 1 99  ASN 99  344 344 ASN ASN B . n 
B 1 100 ARG 100 345 345 ARG ARG B . n 
B 1 101 GLY 101 346 346 GLY GLY B . n 
B 1 102 GLU 102 347 347 GLU GLU B . n 
B 1 103 PRO 103 348 348 PRO PRO B . n 
B 1 104 ASN 104 349 349 ASN ASN B . n 
B 1 105 ASN 105 350 350 ASN ASN B . n 
B 1 106 VAL 106 351 351 VAL VAL B . n 
B 1 107 GLY 107 352 352 GLY GLY B . n 
B 1 108 GLU 108 353 353 GLU GLU B . n 
B 1 109 GLU 109 354 354 GLU GLU B . n 
B 1 110 ASP 110 355 355 ASP ASP B . n 
B 1 111 CYS 111 356 356 CYS CYS B . n 
B 1 112 ALA 112 357 357 ALA ALA B . n 
B 1 113 GLU 113 358 358 GLU GLU B . n 
B 1 114 PHE 114 359 359 PHE PHE B . n 
B 1 115 SER 115 360 360 SER SER B . n 
B 1 116 GLY 116 361 361 GLY GLY B . n 
B 1 117 ASN 117 362 362 ASN ASN B . n 
B 1 118 GLY 118 363 363 GLY GLY B . n 
B 1 119 TRP 119 364 364 TRP TRP B . n 
B 1 120 ASN 120 365 365 ASN ASN B . n 
B 1 121 ASP 121 366 366 ASP ASP B . n 
B 1 122 ASP 122 367 367 ASP ASP B . n 
B 1 123 LYS 123 368 368 LYS LYS B . n 
B 1 124 CYS 124 369 369 CYS CYS B . n 
B 1 125 ASN 125 370 370 ASN ASN B . n 
B 1 126 LEU 126 371 371 LEU LEU B . n 
B 1 127 ALA 127 372 372 ALA ALA B . n 
B 1 128 LYS 128 373 373 LYS LYS B . n 
B 1 129 PHE 129 374 374 PHE PHE B . n 
B 1 130 TRP 130 375 375 TRP TRP B . n 
B 1 131 ILE 131 376 376 ILE ILE B . n 
B 1 132 CYS 132 377 377 CYS CYS B . n 
B 1 133 LYS 133 378 378 LYS LYS B . n 
B 1 134 LYS 134 379 379 LYS LYS B . n 
B 1 135 SER 135 380 380 SER SER B . n 
B 1 136 ALA 136 381 381 ALA ALA B . n 
B 1 137 ALA 137 382 382 ALA ALA B . n 
B 1 138 SER 138 383 383 SER SER B . n 
B 1 139 CYS 139 384 384 CYS CYS B . n 
B 1 140 SER 140 385 ?   ?   ?   B . n 
B 1 141 ARG 141 386 ?   ?   ?   B . n 
B 1 142 ASP 142 387 ?   ?   ?   B . n 
B 1 143 GLU 143 388 ?   ?   ?   B . n 
B 1 144 GLU 144 389 ?   ?   ?   B . n 
B 1 145 GLN 145 390 ?   ?   ?   B . n 
B 1 146 PHE 146 391 ?   ?   ?   B . n 
B 1 147 LEU 147 392 ?   ?   ?   B . n 
B 1 148 SER 148 393 ?   ?   ?   B . n 
B 1 149 PRO 149 394 ?   ?   ?   B . n 
B 1 150 ALA 150 395 ?   ?   ?   B . n 
B 1 151 PRO 151 396 ?   ?   ?   B . n 
B 1 152 ALA 152 397 ?   ?   ?   B . n 
B 1 153 THR 153 398 ?   ?   ?   B . n 
B 1 154 PRO 154 399 ?   ?   ?   B . n 
B 1 155 ASN 155 400 ?   ?   ?   B . n 
B 1 156 PRO 156 401 ?   ?   ?   B . n 
B 1 157 PRO 157 402 ?   ?   ?   B . n 
B 1 158 PRO 158 403 ?   ?   ?   B . n 
B 1 159 ALA 159 404 ?   ?   ?   B . n 
C 1 1   GLY 1   246 ?   ?   ?   C . n 
C 1 2   SER 2   247 ?   ?   ?   C . n 
C 1 3   HIS 3   248 ?   ?   ?   C . n 
C 1 4   MET 4   249 ?   ?   ?   C . n 
C 1 5   GLU 5   250 ?   ?   ?   C . n 
C 1 6   ARG 6   251 ?   ?   ?   C . n 
C 1 7   LEU 7   252 ?   ?   ?   C . n 
C 1 8   CYS 8   253 253 CYS CYS C . n 
C 1 9   HIS 9   254 254 HIS HIS C . n 
C 1 10  PRO 10  255 255 PRO PRO C . n 
C 1 11  CYS 11  256 256 CYS CYS C . n 
C 1 12  PRO 12  257 257 PRO PRO C . n 
C 1 13  TRP 13  258 258 TRP TRP C . n 
C 1 14  GLU 14  259 259 GLU GLU C . n 
C 1 15  TRP 15  260 260 TRP TRP C . n 
C 1 16  THR 16  261 261 THR THR C . n 
C 1 17  PHE 17  262 262 PHE PHE C . n 
C 1 18  PHE 18  263 263 PHE PHE C . n 
C 1 19  GLN 19  264 264 GLN GLN C . n 
C 1 20  GLY 20  265 265 GLY GLY C . n 
C 1 21  ASN 21  266 266 ASN ASN C . n 
C 1 22  CYS 22  267 267 CYS CYS C . n 
C 1 23  TYR 23  268 268 TYR TYR C . n 
C 1 24  PHE 24  269 269 PHE PHE C . n 
C 1 25  MET 25  270 270 MET MET C . n 
C 1 26  SER 26  271 271 SER SER C . n 
C 1 27  ASN 27  272 272 ASN ASN C . n 
C 1 28  SER 28  273 273 SER SER C . n 
C 1 29  GLN 29  274 274 GLN GLN C . n 
C 1 30  ARG 30  275 275 ARG ARG C . n 
C 1 31  ASN 31  276 276 ASN ASN C . n 
C 1 32  TRP 32  277 277 TRP TRP C . n 
C 1 33  HIS 33  278 278 HIS HIS C . n 
C 1 34  ASP 34  279 279 ASP ASP C . n 
C 1 35  SER 35  280 280 SER SER C . n 
C 1 36  ILE 36  281 281 ILE ILE C . n 
C 1 37  THR 37  282 282 THR THR C . n 
C 1 38  ALA 38  283 283 ALA ALA C . n 
C 1 39  CYS 39  284 284 CYS CYS C . n 
C 1 40  LYS 40  285 285 LYS LYS C . n 
C 1 41  GLU 41  286 286 GLU GLU C . n 
C 1 42  VAL 42  287 287 VAL VAL C . n 
C 1 43  GLY 43  288 288 GLY GLY C . n 
C 1 44  ALA 44  289 289 ALA ALA C . n 
C 1 45  GLN 45  290 290 GLN GLN C . n 
C 1 46  LEU 46  291 291 LEU LEU C . n 
C 1 47  VAL 47  292 292 VAL VAL C . n 
C 1 48  VAL 48  293 293 VAL VAL C . n 
C 1 49  ILE 49  294 294 ILE ILE C . n 
C 1 50  LYS 50  295 295 LYS LYS C . n 
C 1 51  SER 51  296 296 SER SER C . n 
C 1 52  ALA 52  297 297 ALA ALA C . n 
C 1 53  GLU 53  298 298 GLU GLU C . n 
C 1 54  GLU 54  299 299 GLU GLU C . n 
C 1 55  GLN 55  300 300 GLN GLN C . n 
C 1 56  ASN 56  301 301 ASN ASN C . n 
C 1 57  PHE 57  302 302 PHE PHE C . n 
C 1 58  LEU 58  303 303 LEU LEU C . n 
C 1 59  GLN 59  304 304 GLN GLN C . n 
C 1 60  LEU 60  305 305 LEU LEU C . n 
C 1 61  GLN 61  306 306 GLN GLN C . n 
C 1 62  SER 62  307 307 SER SER C . n 
C 1 63  SER 63  308 308 SER SER C . n 
C 1 64  ARG 64  309 309 ARG ARG C . n 
C 1 65  SER 65  310 310 SER SER C . n 
C 1 66  ASN 66  311 311 ASN ASN C . n 
C 1 67  ARG 67  312 312 ARG ARG C . n 
C 1 68  PHE 68  313 313 PHE PHE C . n 
C 1 69  THR 69  314 314 THR THR C . n 
C 1 70  TRP 70  315 315 TRP TRP C . n 
C 1 71  MET 71  316 316 MET MET C . n 
C 1 72  GLY 72  317 317 GLY GLY C . n 
C 1 73  LEU 73  318 318 LEU LEU C . n 
C 1 74  SER 74  319 319 SER SER C . n 
C 1 75  ASP 75  320 320 ASP ASP C . n 
C 1 76  LEU 76  321 321 LEU LEU C . n 
C 1 77  ASN 77  322 322 ASN ASN C . n 
C 1 78  GLN 78  323 323 GLN GLN C . n 
C 1 79  GLU 79  324 324 GLU GLU C . n 
C 1 80  GLY 80  325 325 GLY GLY C . n 
C 1 81  THR 81  326 326 THR THR C . n 
C 1 82  TRP 82  327 327 TRP TRP C . n 
C 1 83  GLN 83  328 328 GLN GLN C . n 
C 1 84  TRP 84  329 329 TRP TRP C . n 
C 1 85  VAL 85  330 330 VAL VAL C . n 
C 1 86  ASP 86  331 331 ASP ASP C . n 
C 1 87  GLY 87  332 332 GLY GLY C . n 
C 1 88  SER 88  333 333 SER SER C . n 
C 1 89  PRO 89  334 334 PRO PRO C . n 
C 1 90  LEU 90  335 335 LEU LEU C . n 
C 1 91  LEU 91  336 336 LEU LEU C . n 
C 1 92  PRO 92  337 337 PRO PRO C . n 
C 1 93  SER 93  338 338 SER SER C . n 
C 1 94  PHE 94  339 339 PHE PHE C . n 
C 1 95  LYS 95  340 340 LYS LYS C . n 
C 1 96  GLN 96  341 341 GLN GLN C . n 
C 1 97  TYR 97  342 342 TYR TYR C . n 
C 1 98  TRP 98  343 343 TRP TRP C . n 
C 1 99  ASN 99  344 344 ASN ASN C . n 
C 1 100 ARG 100 345 345 ARG ARG C . n 
C 1 101 GLY 101 346 346 GLY GLY C . n 
C 1 102 GLU 102 347 347 GLU GLU C . n 
C 1 103 PRO 103 348 348 PRO PRO C . n 
C 1 104 ASN 104 349 349 ASN ASN C . n 
C 1 105 ASN 105 350 350 ASN ASN C . n 
C 1 106 VAL 106 351 351 VAL VAL C . n 
C 1 107 GLY 107 352 352 GLY GLY C . n 
C 1 108 GLU 108 353 353 GLU GLU C . n 
C 1 109 GLU 109 354 354 GLU GLU C . n 
C 1 110 ASP 110 355 355 ASP ASP C . n 
C 1 111 CYS 111 356 356 CYS CYS C . n 
C 1 112 ALA 112 357 357 ALA ALA C . n 
C 1 113 GLU 113 358 358 GLU GLU C . n 
C 1 114 PHE 114 359 359 PHE PHE C . n 
C 1 115 SER 115 360 360 SER SER C . n 
C 1 116 GLY 116 361 361 GLY GLY C . n 
C 1 117 ASN 117 362 362 ASN ASN C . n 
C 1 118 GLY 118 363 363 GLY GLY C . n 
C 1 119 TRP 119 364 364 TRP TRP C . n 
C 1 120 ASN 120 365 365 ASN ASN C . n 
C 1 121 ASP 121 366 366 ASP ASP C . n 
C 1 122 ASP 122 367 367 ASP ASP C . n 
C 1 123 LYS 123 368 368 LYS LYS C . n 
C 1 124 CYS 124 369 369 CYS CYS C . n 
C 1 125 ASN 125 370 370 ASN ASN C . n 
C 1 126 LEU 126 371 371 LEU LEU C . n 
C 1 127 ALA 127 372 372 ALA ALA C . n 
C 1 128 LYS 128 373 373 LYS LYS C . n 
C 1 129 PHE 129 374 374 PHE PHE C . n 
C 1 130 TRP 130 375 375 TRP TRP C . n 
C 1 131 ILE 131 376 376 ILE ILE C . n 
C 1 132 CYS 132 377 377 CYS CYS C . n 
C 1 133 LYS 133 378 378 LYS LYS C . n 
C 1 134 LYS 134 379 379 LYS LYS C . n 
C 1 135 SER 135 380 380 SER SER C . n 
C 1 136 ALA 136 381 381 ALA ALA C . n 
C 1 137 ALA 137 382 382 ALA ALA C . n 
C 1 138 SER 138 383 383 SER SER C . n 
C 1 139 CYS 139 384 384 CYS CYS C . n 
C 1 140 SER 140 385 ?   ?   ?   C . n 
C 1 141 ARG 141 386 ?   ?   ?   C . n 
C 1 142 ASP 142 387 ?   ?   ?   C . n 
C 1 143 GLU 143 388 ?   ?   ?   C . n 
C 1 144 GLU 144 389 ?   ?   ?   C . n 
C 1 145 GLN 145 390 ?   ?   ?   C . n 
C 1 146 PHE 146 391 ?   ?   ?   C . n 
C 1 147 LEU 147 392 ?   ?   ?   C . n 
C 1 148 SER 148 393 ?   ?   ?   C . n 
C 1 149 PRO 149 394 ?   ?   ?   C . n 
C 1 150 ALA 150 395 ?   ?   ?   C . n 
C 1 151 PRO 151 396 ?   ?   ?   C . n 
C 1 152 ALA 152 397 ?   ?   ?   C . n 
C 1 153 THR 153 398 ?   ?   ?   C . n 
C 1 154 PRO 154 399 ?   ?   ?   C . n 
C 1 155 ASN 155 400 ?   ?   ?   C . n 
C 1 156 PRO 156 401 ?   ?   ?   C . n 
C 1 157 PRO 157 402 ?   ?   ?   C . n 
C 1 158 PRO 158 403 ?   ?   ?   C . n 
C 1 159 ALA 159 404 ?   ?   ?   C . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H5Y 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H5Y 
_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 
D 2 CA    1   501 402 CA    CA  A . 
E 2 CA    1   502 403 CA    CA  A . 
F 2 CA    1   503 404 CA    CA  A . 
G 3 A1H5Y 1   504 501 A1H5Y DRG A . 
H 2 CA    1   501 402 CA    CA  B . 
I 2 CA    1   502 403 CA    CA  B . 
J 2 CA    1   503 404 CA    CA  B . 
K 3 A1H5Y 1   504 501 A1H5Y DRG B . 
L 2 CA    1   501 402 CA    CA  C . 
M 2 CA    1   502 403 CA    CA  C . 
N 2 CA    1   503 404 CA    CA  C . 
O 3 A1H5Y 1   504 501 A1H5Y DRG C . 
P 4 HOH   1   601 300 HOH   HOH A . 
P 4 HOH   2   602 115 HOH   HOH A . 
P 4 HOH   3   603 59  HOH   HOH A . 
P 4 HOH   4   604 103 HOH   HOH A . 
P 4 HOH   5   605 236 HOH   HOH A . 
P 4 HOH   6   606 203 HOH   HOH A . 
P 4 HOH   7   607 48  HOH   HOH A . 
P 4 HOH   8   608 181 HOH   HOH A . 
P 4 HOH   9   609 274 HOH   HOH A . 
P 4 HOH   10  610 39  HOH   HOH A . 
P 4 HOH   11  611 120 HOH   HOH A . 
P 4 HOH   12  612 87  HOH   HOH A . 
P 4 HOH   13  613 80  HOH   HOH A . 
P 4 HOH   14  614 357 HOH   HOH A . 
P 4 HOH   15  615 21  HOH   HOH A . 
P 4 HOH   16  616 132 HOH   HOH A . 
P 4 HOH   17  617 44  HOH   HOH A . 
P 4 HOH   18  618 213 HOH   HOH A . 
P 4 HOH   19  619 164 HOH   HOH A . 
P 4 HOH   20  620 9   HOH   HOH A . 
P 4 HOH   21  621 339 HOH   HOH A . 
P 4 HOH   22  622 68  HOH   HOH A . 
P 4 HOH   23  623 19  HOH   HOH A . 
P 4 HOH   24  624 288 HOH   HOH A . 
P 4 HOH   25  625 414 HOH   HOH A . 
P 4 HOH   26  626 34  HOH   HOH A . 
P 4 HOH   27  627 76  HOH   HOH A . 
P 4 HOH   28  628 250 HOH   HOH A . 
P 4 HOH   29  629 91  HOH   HOH A . 
P 4 HOH   30  630 14  HOH   HOH A . 
P 4 HOH   31  631 116 HOH   HOH A . 
P 4 HOH   32  632 206 HOH   HOH A . 
P 4 HOH   33  633 102 HOH   HOH A . 
P 4 HOH   34  634 38  HOH   HOH A . 
P 4 HOH   35  635 140 HOH   HOH A . 
P 4 HOH   36  636 3   HOH   HOH A . 
P 4 HOH   37  637 112 HOH   HOH A . 
P 4 HOH   38  638 69  HOH   HOH A . 
P 4 HOH   39  639 304 HOH   HOH A . 
P 4 HOH   40  640 94  HOH   HOH A . 
P 4 HOH   41  641 335 HOH   HOH A . 
P 4 HOH   42  642 159 HOH   HOH A . 
P 4 HOH   43  643 65  HOH   HOH A . 
P 4 HOH   44  644 30  HOH   HOH A . 
P 4 HOH   45  645 4   HOH   HOH A . 
P 4 HOH   46  646 208 HOH   HOH A . 
P 4 HOH   47  647 114 HOH   HOH A . 
P 4 HOH   48  648 98  HOH   HOH A . 
P 4 HOH   49  649 64  HOH   HOH A . 
P 4 HOH   50  650 233 HOH   HOH A . 
P 4 HOH   51  651 366 HOH   HOH A . 
P 4 HOH   52  652 18  HOH   HOH A . 
P 4 HOH   53  653 130 HOH   HOH A . 
P 4 HOH   54  654 179 HOH   HOH A . 
P 4 HOH   55  655 270 HOH   HOH A . 
P 4 HOH   56  656 436 HOH   HOH A . 
P 4 HOH   57  657 226 HOH   HOH A . 
P 4 HOH   58  658 50  HOH   HOH A . 
P 4 HOH   59  659 84  HOH   HOH A . 
P 4 HOH   60  660 125 HOH   HOH A . 
P 4 HOH   61  661 16  HOH   HOH A . 
P 4 HOH   62  662 85  HOH   HOH A . 
P 4 HOH   63  663 127 HOH   HOH A . 
P 4 HOH   64  664 275 HOH   HOH A . 
P 4 HOH   65  665 107 HOH   HOH A . 
P 4 HOH   66  666 77  HOH   HOH A . 
P 4 HOH   67  667 74  HOH   HOH A . 
P 4 HOH   68  668 391 HOH   HOH A . 
P 4 HOH   69  669 129 HOH   HOH A . 
P 4 HOH   70  670 78  HOH   HOH A . 
P 4 HOH   71  671 37  HOH   HOH A . 
P 4 HOH   72  672 319 HOH   HOH A . 
P 4 HOH   73  673 27  HOH   HOH A . 
P 4 HOH   74  674 31  HOH   HOH A . 
P 4 HOH   75  675 6   HOH   HOH A . 
P 4 HOH   76  676 238 HOH   HOH A . 
P 4 HOH   77  677 166 HOH   HOH A . 
P 4 HOH   78  678 268 HOH   HOH A . 
P 4 HOH   79  679 321 HOH   HOH A . 
P 4 HOH   80  680 430 HOH   HOH A . 
P 4 HOH   81  681 63  HOH   HOH A . 
P 4 HOH   82  682 416 HOH   HOH A . 
P 4 HOH   83  683 168 HOH   HOH A . 
P 4 HOH   84  684 186 HOH   HOH A . 
P 4 HOH   85  685 411 HOH   HOH A . 
P 4 HOH   86  686 431 HOH   HOH A . 
P 4 HOH   87  687 344 HOH   HOH A . 
P 4 HOH   88  688 222 HOH   HOH A . 
P 4 HOH   89  689 180 HOH   HOH A . 
P 4 HOH   90  690 167 HOH   HOH A . 
P 4 HOH   91  691 111 HOH   HOH A . 
P 4 HOH   92  692 408 HOH   HOH A . 
P 4 HOH   93  693 378 HOH   HOH A . 
P 4 HOH   94  694 412 HOH   HOH A . 
P 4 HOH   95  695 141 HOH   HOH A . 
P 4 HOH   96  696 49  HOH   HOH A . 
P 4 HOH   97  697 52  HOH   HOH A . 
P 4 HOH   98  698 328 HOH   HOH A . 
P 4 HOH   99  699 101 HOH   HOH A . 
P 4 HOH   100 700 256 HOH   HOH A . 
P 4 HOH   101 701 170 HOH   HOH A . 
P 4 HOH   102 702 156 HOH   HOH A . 
P 4 HOH   103 703 403 HOH   HOH A . 
P 4 HOH   104 704 352 HOH   HOH A . 
P 4 HOH   105 705 128 HOH   HOH A . 
P 4 HOH   106 706 422 HOH   HOH A . 
P 4 HOH   107 707 395 HOH   HOH A . 
P 4 HOH   108 708 124 HOH   HOH A . 
P 4 HOH   109 709 260 HOH   HOH A . 
P 4 HOH   110 710 387 HOH   HOH A . 
P 4 HOH   111 711 293 HOH   HOH A . 
P 4 HOH   112 712 151 HOH   HOH A . 
P 4 HOH   113 713 404 HOH   HOH A . 
P 4 HOH   114 714 173 HOH   HOH A . 
P 4 HOH   115 715 224 HOH   HOH A . 
P 4 HOH   116 716 147 HOH   HOH A . 
P 4 HOH   117 717 401 HOH   HOH A . 
P 4 HOH   118 718 398 HOH   HOH A . 
P 4 HOH   119 719 110 HOH   HOH A . 
P 4 HOH   120 720 365 HOH   HOH A . 
P 4 HOH   121 721 145 HOH   HOH A . 
P 4 HOH   122 722 249 HOH   HOH A . 
P 4 HOH   123 723 155 HOH   HOH A . 
P 4 HOH   124 724 118 HOH   HOH A . 
P 4 HOH   125 725 154 HOH   HOH A . 
P 4 HOH   126 726 284 HOH   HOH A . 
P 4 HOH   127 727 353 HOH   HOH A . 
P 4 HOH   128 728 343 HOH   HOH A . 
P 4 HOH   129 729 318 HOH   HOH A . 
P 4 HOH   130 730 390 HOH   HOH A . 
P 4 HOH   131 731 302 HOH   HOH A . 
P 4 HOH   132 732 202 HOH   HOH A . 
P 4 HOH   133 733 379 HOH   HOH A . 
Q 4 HOH   1   601 384 HOH   HOH B . 
Q 4 HOH   2   602 46  HOH   HOH B . 
Q 4 HOH   3   603 299 HOH   HOH B . 
Q 4 HOH   4   604 364 HOH   HOH B . 
Q 4 HOH   5   605 415 HOH   HOH B . 
Q 4 HOH   6   606 230 HOH   HOH B . 
Q 4 HOH   7   607 36  HOH   HOH B . 
Q 4 HOH   8   608 95  HOH   HOH B . 
Q 4 HOH   9   609 122 HOH   HOH B . 
Q 4 HOH   10  610 56  HOH   HOH B . 
Q 4 HOH   11  611 177 HOH   HOH B . 
Q 4 HOH   12  612 229 HOH   HOH B . 
Q 4 HOH   13  613 220 HOH   HOH B . 
Q 4 HOH   14  614 212 HOH   HOH B . 
Q 4 HOH   15  615 309 HOH   HOH B . 
Q 4 HOH   16  616 369 HOH   HOH B . 
Q 4 HOH   17  617 175 HOH   HOH B . 
Q 4 HOH   18  618 57  HOH   HOH B . 
Q 4 HOH   19  619 71  HOH   HOH B . 
Q 4 HOH   20  620 277 HOH   HOH B . 
Q 4 HOH   21  621 421 HOH   HOH B . 
Q 4 HOH   22  622 45  HOH   HOH B . 
Q 4 HOH   23  623 20  HOH   HOH B . 
Q 4 HOH   24  624 246 HOH   HOH B . 
Q 4 HOH   25  625 135 HOH   HOH B . 
Q 4 HOH   26  626 338 HOH   HOH B . 
Q 4 HOH   27  627 1   HOH   HOH B . 
Q 4 HOH   28  628 119 HOH   HOH B . 
Q 4 HOH   29  629 53  HOH   HOH B . 
Q 4 HOH   30  630 133 HOH   HOH B . 
Q 4 HOH   31  631 139 HOH   HOH B . 
Q 4 HOH   32  632 17  HOH   HOH B . 
Q 4 HOH   33  633 163 HOH   HOH B . 
Q 4 HOH   34  634 305 HOH   HOH B . 
Q 4 HOH   35  635 2   HOH   HOH B . 
Q 4 HOH   36  636 243 HOH   HOH B . 
Q 4 HOH   37  637 23  HOH   HOH B . 
Q 4 HOH   38  638 126 HOH   HOH B . 
Q 4 HOH   39  639 109 HOH   HOH B . 
Q 4 HOH   40  640 106 HOH   HOH B . 
Q 4 HOH   41  641 5   HOH   HOH B . 
Q 4 HOH   42  642 62  HOH   HOH B . 
Q 4 HOH   43  643 410 HOH   HOH B . 
Q 4 HOH   44  644 70  HOH   HOH B . 
Q 4 HOH   45  645 354 HOH   HOH B . 
Q 4 HOH   46  646 142 HOH   HOH B . 
Q 4 HOH   47  647 247 HOH   HOH B . 
Q 4 HOH   48  648 32  HOH   HOH B . 
Q 4 HOH   49  649 383 HOH   HOH B . 
Q 4 HOH   50  650 54  HOH   HOH B . 
Q 4 HOH   51  651 286 HOH   HOH B . 
Q 4 HOH   52  652 96  HOH   HOH B . 
Q 4 HOH   53  653 29  HOH   HOH B . 
Q 4 HOH   54  654 227 HOH   HOH B . 
Q 4 HOH   55  655 138 HOH   HOH B . 
Q 4 HOH   56  656 169 HOH   HOH B . 
Q 4 HOH   57  657 182 HOH   HOH B . 
Q 4 HOH   58  658 100 HOH   HOH B . 
Q 4 HOH   59  659 153 HOH   HOH B . 
Q 4 HOH   60  660 7   HOH   HOH B . 
Q 4 HOH   61  661 158 HOH   HOH B . 
Q 4 HOH   62  662 192 HOH   HOH B . 
Q 4 HOH   63  663 10  HOH   HOH B . 
Q 4 HOH   64  664 209 HOH   HOH B . 
Q 4 HOH   65  665 198 HOH   HOH B . 
Q 4 HOH   66  666 281 HOH   HOH B . 
Q 4 HOH   67  667 143 HOH   HOH B . 
Q 4 HOH   68  668 104 HOH   HOH B . 
Q 4 HOH   69  669 105 HOH   HOH B . 
Q 4 HOH   70  670 193 HOH   HOH B . 
Q 4 HOH   71  671 413 HOH   HOH B . 
Q 4 HOH   72  672 382 HOH   HOH B . 
Q 4 HOH   73  673 345 HOH   HOH B . 
Q 4 HOH   74  674 123 HOH   HOH B . 
Q 4 HOH   75  675 15  HOH   HOH B . 
Q 4 HOH   76  676 152 HOH   HOH B . 
Q 4 HOH   77  677 240 HOH   HOH B . 
Q 4 HOH   78  678 99  HOH   HOH B . 
Q 4 HOH   79  679 60  HOH   HOH B . 
Q 4 HOH   80  680 317 HOH   HOH B . 
Q 4 HOH   81  681 316 HOH   HOH B . 
Q 4 HOH   82  682 223 HOH   HOH B . 
Q 4 HOH   83  683 216 HOH   HOH B . 
Q 4 HOH   84  684 33  HOH   HOH B . 
Q 4 HOH   85  685 41  HOH   HOH B . 
Q 4 HOH   86  686 72  HOH   HOH B . 
Q 4 HOH   87  687 218 HOH   HOH B . 
Q 4 HOH   88  688 405 HOH   HOH B . 
Q 4 HOH   89  689 419 HOH   HOH B . 
Q 4 HOH   90  690 24  HOH   HOH B . 
Q 4 HOH   91  691 231 HOH   HOH B . 
Q 4 HOH   92  692 252 HOH   HOH B . 
Q 4 HOH   93  693 297 HOH   HOH B . 
Q 4 HOH   94  694 211 HOH   HOH B . 
Q 4 HOH   95  695 337 HOH   HOH B . 
Q 4 HOH   96  696 307 HOH   HOH B . 
Q 4 HOH   97  697 174 HOH   HOH B . 
Q 4 HOH   98  698 82  HOH   HOH B . 
Q 4 HOH   99  699 183 HOH   HOH B . 
Q 4 HOH   100 700 418 HOH   HOH B . 
Q 4 HOH   101 701 165 HOH   HOH B . 
Q 4 HOH   102 702 232 HOH   HOH B . 
Q 4 HOH   103 703 273 HOH   HOH B . 
Q 4 HOH   104 704 241 HOH   HOH B . 
Q 4 HOH   105 705 149 HOH   HOH B . 
Q 4 HOH   106 706 360 HOH   HOH B . 
Q 4 HOH   107 707 429 HOH   HOH B . 
Q 4 HOH   108 708 432 HOH   HOH B . 
Q 4 HOH   109 709 55  HOH   HOH B . 
Q 4 HOH   110 710 407 HOH   HOH B . 
Q 4 HOH   111 711 251 HOH   HOH B . 
Q 4 HOH   112 712 282 HOH   HOH B . 
Q 4 HOH   113 713 131 HOH   HOH B . 
Q 4 HOH   114 714 303 HOH   HOH B . 
Q 4 HOH   115 715 258 HOH   HOH B . 
Q 4 HOH   116 716 254 HOH   HOH B . 
Q 4 HOH   117 717 437 HOH   HOH B . 
Q 4 HOH   118 718 113 HOH   HOH B . 
Q 4 HOH   119 719 399 HOH   HOH B . 
Q 4 HOH   120 720 426 HOH   HOH B . 
Q 4 HOH   121 721 356 HOH   HOH B . 
Q 4 HOH   122 722 150 HOH   HOH B . 
Q 4 HOH   123 723 389 HOH   HOH B . 
Q 4 HOH   124 724 368 HOH   HOH B . 
Q 4 HOH   125 725 195 HOH   HOH B . 
Q 4 HOH   126 726 28  HOH   HOH B . 
Q 4 HOH   127 727 185 HOH   HOH B . 
Q 4 HOH   128 728 351 HOH   HOH B . 
Q 4 HOH   129 729 237 HOH   HOH B . 
Q 4 HOH   130 730 400 HOH   HOH B . 
Q 4 HOH   131 731 225 HOH   HOH B . 
Q 4 HOH   132 732 330 HOH   HOH B . 
Q 4 HOH   133 733 278 HOH   HOH B . 
Q 4 HOH   134 734 306 HOH   HOH B . 
Q 4 HOH   135 735 200 HOH   HOH B . 
Q 4 HOH   136 736 245 HOH   HOH B . 
Q 4 HOH   137 737 402 HOH   HOH B . 
Q 4 HOH   138 738 380 HOH   HOH B . 
Q 4 HOH   139 739 420 HOH   HOH B . 
Q 4 HOH   140 740 341 HOH   HOH B . 
Q 4 HOH   141 741 280 HOH   HOH B . 
Q 4 HOH   142 742 409 HOH   HOH B . 
Q 4 HOH   143 743 373 HOH   HOH B . 
Q 4 HOH   144 744 371 HOH   HOH B . 
Q 4 HOH   145 745 271 HOH   HOH B . 
R 4 HOH   1   601 81  HOH   HOH C . 
R 4 HOH   2   602 296 HOH   HOH C . 
R 4 HOH   3   603 285 HOH   HOH C . 
R 4 HOH   4   604 190 HOH   HOH C . 
R 4 HOH   5   605 196 HOH   HOH C . 
R 4 HOH   6   606 134 HOH   HOH C . 
R 4 HOH   7   607 272 HOH   HOH C . 
R 4 HOH   8   608 162 HOH   HOH C . 
R 4 HOH   9   609 12  HOH   HOH C . 
R 4 HOH   10  610 108 HOH   HOH C . 
R 4 HOH   11  611 25  HOH   HOH C . 
R 4 HOH   12  612 217 HOH   HOH C . 
R 4 HOH   13  613 73  HOH   HOH C . 
R 4 HOH   14  614 283 HOH   HOH C . 
R 4 HOH   15  615 8   HOH   HOH C . 
R 4 HOH   16  616 215 HOH   HOH C . 
R 4 HOH   17  617 160 HOH   HOH C . 
R 4 HOH   18  618 259 HOH   HOH C . 
R 4 HOH   19  619 219 HOH   HOH C . 
R 4 HOH   20  620 187 HOH   HOH C . 
R 4 HOH   21  621 424 HOH   HOH C . 
R 4 HOH   22  622 13  HOH   HOH C . 
R 4 HOH   23  623 43  HOH   HOH C . 
R 4 HOH   24  624 47  HOH   HOH C . 
R 4 HOH   25  625 290 HOH   HOH C . 
R 4 HOH   26  626 136 HOH   HOH C . 
R 4 HOH   27  627 358 HOH   HOH C . 
R 4 HOH   28  628 35  HOH   HOH C . 
R 4 HOH   29  629 67  HOH   HOH C . 
R 4 HOH   30  630 172 HOH   HOH C . 
R 4 HOH   31  631 58  HOH   HOH C . 
R 4 HOH   32  632 315 HOH   HOH C . 
R 4 HOH   33  633 234 HOH   HOH C . 
R 4 HOH   34  634 75  HOH   HOH C . 
R 4 HOH   35  635 239 HOH   HOH C . 
R 4 HOH   36  636 289 HOH   HOH C . 
R 4 HOH   37  637 51  HOH   HOH C . 
R 4 HOH   38  638 199 HOH   HOH C . 
R 4 HOH   39  639 329 HOH   HOH C . 
R 4 HOH   40  640 397 HOH   HOH C . 
R 4 HOH   41  641 144 HOH   HOH C . 
R 4 HOH   42  642 86  HOH   HOH C . 
R 4 HOH   43  643 184 HOH   HOH C . 
R 4 HOH   44  644 117 HOH   HOH C . 
R 4 HOH   45  645 367 HOH   HOH C . 
R 4 HOH   46  646 11  HOH   HOH C . 
R 4 HOH   47  647 221 HOH   HOH C . 
R 4 HOH   48  648 269 HOH   HOH C . 
R 4 HOH   49  649 308 HOH   HOH C . 
R 4 HOH   50  650 334 HOH   HOH C . 
R 4 HOH   51  651 294 HOH   HOH C . 
R 4 HOH   52  652 374 HOH   HOH C . 
R 4 HOH   53  653 40  HOH   HOH C . 
R 4 HOH   54  654 322 HOH   HOH C . 
R 4 HOH   55  655 161 HOH   HOH C . 
R 4 HOH   56  656 61  HOH   HOH C . 
R 4 HOH   57  657 435 HOH   HOH C . 
R 4 HOH   58  658 90  HOH   HOH C . 
R 4 HOH   59  659 89  HOH   HOH C . 
R 4 HOH   60  660 349 HOH   HOH C . 
R 4 HOH   61  661 433 HOH   HOH C . 
R 4 HOH   62  662 157 HOH   HOH C . 
R 4 HOH   63  663 83  HOH   HOH C . 
R 4 HOH   64  664 97  HOH   HOH C . 
R 4 HOH   65  665 137 HOH   HOH C . 
R 4 HOH   66  666 66  HOH   HOH C . 
R 4 HOH   67  667 197 HOH   HOH C . 
R 4 HOH   68  668 207 HOH   HOH C . 
R 4 HOH   69  669 92  HOH   HOH C . 
R 4 HOH   70  670 148 HOH   HOH C . 
R 4 HOH   71  671 121 HOH   HOH C . 
R 4 HOH   72  672 88  HOH   HOH C . 
R 4 HOH   73  673 312 HOH   HOH C . 
R 4 HOH   74  674 42  HOH   HOH C . 
R 4 HOH   75  675 417 HOH   HOH C . 
R 4 HOH   76  676 348 HOH   HOH C . 
R 4 HOH   77  677 311 HOH   HOH C . 
R 4 HOH   78  678 427 HOH   HOH C . 
R 4 HOH   79  679 359 HOH   HOH C . 
R 4 HOH   80  680 22  HOH   HOH C . 
R 4 HOH   81  681 266 HOH   HOH C . 
R 4 HOH   82  682 324 HOH   HOH C . 
R 4 HOH   83  683 248 HOH   HOH C . 
R 4 HOH   84  684 253 HOH   HOH C . 
R 4 HOH   85  685 79  HOH   HOH C . 
R 4 HOH   86  686 350 HOH   HOH C . 
R 4 HOH   87  687 279 HOH   HOH C . 
R 4 HOH   88  688 361 HOH   HOH C . 
R 4 HOH   89  689 423 HOH   HOH C . 
R 4 HOH   90  690 205 HOH   HOH C . 
R 4 HOH   91  691 394 HOH   HOH C . 
R 4 HOH   92  692 326 HOH   HOH C . 
R 4 HOH   93  693 406 HOH   HOH C . 
R 4 HOH   94  694 276 HOH   HOH C . 
R 4 HOH   95  695 320 HOH   HOH C . 
R 4 HOH   96  696 310 HOH   HOH C . 
R 4 HOH   97  697 188 HOH   HOH C . 
R 4 HOH   98  698 385 HOH   HOH C . 
R 4 HOH   99  699 244 HOH   HOH C . 
R 4 HOH   100 700 333 HOH   HOH C . 
R 4 HOH   101 701 392 HOH   HOH C . 
R 4 HOH   102 702 346 HOH   HOH C . 
R 4 HOH   103 703 178 HOH   HOH C . 
R 4 HOH   104 704 176 HOH   HOH C . 
R 4 HOH   105 705 146 HOH   HOH C . 
R 4 HOH   106 706 93  HOH   HOH C . 
R 4 HOH   107 707 396 HOH   HOH C . 
R 4 HOH   108 708 301 HOH   HOH C . 
R 4 HOH   109 709 242 HOH   HOH C . 
R 4 HOH   110 710 386 HOH   HOH C . 
R 4 HOH   111 711 372 HOH   HOH C . 
R 4 HOH   112 712 210 HOH   HOH C . 
R 4 HOH   113 713 235 HOH   HOH C . 
R 4 HOH   114 714 393 HOH   HOH C . 
R 4 HOH   115 715 376 HOH   HOH C . 
R 4 HOH   116 716 336 HOH   HOH C . 
R 4 HOH   117 717 194 HOH   HOH C . 
R 4 HOH   118 718 263 HOH   HOH C . 
R 4 HOH   119 719 434 HOH   HOH C . 
R 4 HOH   120 720 298 HOH   HOH C . 
R 4 HOH   121 721 370 HOH   HOH C . 
R 4 HOH   122 722 388 HOH   HOH C . 
R 4 HOH   123 723 331 HOH   HOH C . 
R 4 HOH   124 724 362 HOH   HOH C . 
R 4 HOH   125 725 214 HOH   HOH C . 
R 4 HOH   126 726 255 HOH   HOH C . 
R 4 HOH   127 727 425 HOH   HOH C . 
R 4 HOH   128 728 201 HOH   HOH C . 
R 4 HOH   129 729 428 HOH   HOH C . 
# 
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      ? ? ? 1.13_2998 1 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27      2 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .         3 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless     ? ? ? .         4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .         5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   91.390 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EMR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     103.861 
_cell.length_a_esd                 ? 
_cell.length_b                     59.866 
_cell.length_b_esd                 ? 
_cell.length_c                     75.227 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         9EMR 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_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                   9EMR 
_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             2.15 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.68 
_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    '0.1 M Succinic acid pH 7.0, 15% w/v Polyethylene glycol 3,350' 
_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         2021-08-09 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00003 
_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        1.00003 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EMR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.9 
_reflns.d_resolution_low                               51.9150 
_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                                     36026 
_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                           98.3 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.2 
_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                                0.08 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.986 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.90 
_reflns_shell.d_res_low                                     1.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2045 
_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                               8.7 
_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                               0.821 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.529 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          86.3 
_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                                127.540 
_refine.B_iso_mean                               27.9847 
_refine.B_iso_min                                11.390 
_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                                 9EMR 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.9000 
_refine.ls_d_res_low                             51.9150 
_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                     35970 
_refine.ls_number_reflns_R_free                  1722 
_refine.ls_number_reflns_R_work                  34248 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.3200 
_refine.ls_percent_reflns_R_free                 4.7900 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1606 
_refine.ls_R_factor_R_free                       0.1936 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1590 
_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                          1.340 
_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             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 18.0200 
_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                            0.1900 
_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                         final 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.9000 
_refine_hist.d_res_low                        51.9150 
_refine_hist.number_atoms_solvent             411 
_refine_hist.number_atoms_total               3780 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       396 
_refine_hist.pdbx_B_iso_mean_ligand           30.10 
_refine_hist.pdbx_B_iso_mean_solvent          36.89 
_refine_hist.pdbx_number_atoms_protein        3210 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         159 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.ncs_model_details 
_refine_ls_restr_ncs.rms_dev_B_iso 
_refine_ls_restr_ncs.rms_dev_position 
_refine_ls_restr_ncs.weight_B_iso 
_refine_ls_restr_ncs.weight_position 
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.pdbx_type 
_refine_ls_restr_ncs.pdbx_asym_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_weight 
_refine_ls_restr_ncs.pdbx_ens_id 
'X-RAY DIFFRACTION' 1 ? ? ? ? ? 1 TORSIONAL ? A 2030 6.602 ? 1 
'X-RAY DIFFRACTION' 2 ? ? ? ? ? 2 TORSIONAL ? B 2030 6.602 ? 1 
'X-RAY DIFFRACTION' 3 ? ? ? ? ? 3 TORSIONAL ? C 2030 6.602 ? 1 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.9000 1.9559 . . 127 2506 87.0000  . . . 0.0000 0.2526 . . . . . . . . . . . 0.2921 
'X-RAY DIFFRACTION' 1.9559 2.0190 . . 137 2810 97.0000  . . . 0.0000 0.2079 . . . . . . . . . . . 0.2460 
'X-RAY DIFFRACTION' 2.0190 2.0912 . . 125 2892 100.0000 . . . 0.0000 0.1846 . . . . . . . . . . . 0.2277 
'X-RAY DIFFRACTION' 2.0912 2.1749 . . 153 2863 100.0000 . . . 0.0000 0.1789 . . . . . . . . . . . 0.2364 
'X-RAY DIFFRACTION' 2.1749 2.2739 . . 136 2894 100.0000 . . . 0.0000 0.1716 . . . . . . . . . . . 0.2104 
'X-RAY DIFFRACTION' 2.2739 2.3938 . . 155 2893 100.0000 . . . 0.0000 0.1574 . . . . . . . . . . . 0.1801 
'X-RAY DIFFRACTION' 2.3938 2.5438 . . 148 2824 99.0000  . . . 0.0000 0.1624 . . . . . . . . . . . 0.1674 
'X-RAY DIFFRACTION' 2.5438 2.7402 . . 134 2911 100.0000 . . . 0.0000 0.1513 . . . . . . . . . . . 0.1884 
'X-RAY DIFFRACTION' 2.7402 3.0159 . . 163 2886 100.0000 . . . 0.0000 0.1504 . . . . . . . . . . . 0.1859 
'X-RAY DIFFRACTION' 3.0159 3.4523 . . 150 2893 100.0000 . . . 0.0000 0.1498 . . . . . . . . . . . 0.1963 
'X-RAY DIFFRACTION' 3.4523 4.3491 . . 118 2928 99.0000  . . . 0.0000 0.1304 . . . . . . . . . . . 0.1766 
'X-RAY DIFFRACTION' 4.3491 51.915 . . 176 2948 99.0000  . . . 0.0000 0.1589 . . . . . . . . . . . 0.1789 
# 
loop_
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.id 
_struct_ncs_dom.details 
1 1 '(chain A and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 2 '(chain B and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 3 '(chain C and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A CYS 8  . A ILE   36 . A CYS 253 A ILE   281 ? 
'(chain A and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 1 2 A ALA 38 . A GLN   61 . A ALA 283 A GLN   306 ? 
'(chain A and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 1 3 A SER 63 . G A1H5Y .  . A SER 308 A A1H5Y 504 ? 
'(chain A and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 2 1 B CYS 8  . B ILE   36 . B CYS 253 B ILE   281 ? 
'(chain B and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 2 2 B ALA 38 . B GLN   61 . B ALA 283 B GLN   306 ? 
'(chain B and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 2 3 B SER 63 . K A1H5Y .  . B SER 308 B A1H5Y 504 ? 
'(chain B and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 3 1 C CYS 8  . C ILE   36 . C CYS 253 C ILE   281 ? 
'(chain C and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 3 2 C ALA 38 . C GLN   61 . C ALA 283 C GLN   306 ? 
'(chain C and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
1 3 3 C SER 63 . O A1H5Y .  . C SER 308 C A1H5Y 504 ? 
'(chain C and (resid 253 through 281 or resid 283 through 306 or resid 308 through 501))' 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   ? 
# 
_struct.entry_id                     9EMR 
_struct.title                        'Crystal Structure of DC-SIGN in complex with AL90' 
_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        9EMR 
_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 1 ? 
C N N 1 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 3 ? 
H N N 2 ? 
I N N 2 ? 
J N N 2 ? 
K N N 3 ? 
L N N 2 ? 
M N N 2 ? 
N N N 2 ? 
O N N 3 ? 
P N N 4 ? 
Q N N 4 ? 
R 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 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9EMR A 5 ? 159 ? Q9NNX6 250 ? 404 ? 250 404 
2 1 9EMR B 5 ? 159 ? Q9NNX6 250 ? 404 ? 250 404 
3 1 9EMR C 5 ? 159 ? Q9NNX6 250 ? 404 ? 250 404 
# 
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 9EMR GLY A 1 ? UNP Q9NNX6 ? ? 'expression tag' 246 1  
1 9EMR SER A 2 ? UNP Q9NNX6 ? ? 'expression tag' 247 2  
1 9EMR HIS A 3 ? UNP Q9NNX6 ? ? 'expression tag' 248 3  
1 9EMR MET A 4 ? UNP Q9NNX6 ? ? 'expression tag' 249 4  
2 9EMR GLY B 1 ? UNP Q9NNX6 ? ? 'expression tag' 246 5  
2 9EMR SER B 2 ? UNP Q9NNX6 ? ? 'expression tag' 247 6  
2 9EMR HIS B 3 ? UNP Q9NNX6 ? ? 'expression tag' 248 7  
2 9EMR MET B 4 ? UNP Q9NNX6 ? ? 'expression tag' 249 8  
3 9EMR GLY C 1 ? UNP Q9NNX6 ? ? 'expression tag' 246 9  
3 9EMR SER C 2 ? UNP Q9NNX6 ? ? 'expression tag' 247 10 
3 9EMR HIS C 3 ? UNP Q9NNX6 ? ? 'expression tag' 248 11 
3 9EMR MET C 4 ? UNP Q9NNX6 ? ? 'expression tag' 249 12 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
3 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,D,E,F,G,P 
2 1 B,H,I,J,K,Q 
3 1 C,L,M,N,O,R 
# 
_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 ? ASN A 66 ? SER A 296 ASN A 311 1 ? 16 
HELX_P HELX_P3 AA3 LEU A 91 ? TRP A 98 ? LEU A 336 TRP A 343 5 ? 8  
HELX_P HELX_P4 AA4 ASN B 31 ? GLU B 41 ? ASN B 276 GLU B 286 1 ? 11 
HELX_P HELX_P5 AA5 SER B 51 ? ASN B 66 ? SER B 296 ASN B 311 1 ? 16 
HELX_P HELX_P6 AA6 LEU B 91 ? TRP B 98 ? LEU B 336 TRP B 343 5 ? 8  
HELX_P HELX_P7 AA7 ASN C 31 ? VAL C 42 ? ASN C 276 VAL C 287 1 ? 12 
HELX_P HELX_P8 AA8 SER C 51 ? ASN C 66 ? SER C 296 ASN C 311 1 ? 16 
HELX_P HELX_P9 AA9 LEU C 91 ? TRP C 98 ? LEU C 336 TRP C 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 ? ? ? ? ? ? ? 2.058 ? ? 
disulf2  disulf ? ? A CYS 11  SG  ? ? ? 1_555 A CYS   22  SG ? ? A CYS 256 A CYS   267 1_555 ? ? ? ? ? ? ? 2.111 ? ? 
disulf3  disulf ? ? A CYS 39  SG  ? ? ? 1_555 A CYS   132 SG ? ? A CYS 284 A CYS   377 1_555 ? ? ? ? ? ? ? 2.136 ? ? 
disulf4  disulf ? ? A CYS 111 SG  ? ? ? 1_555 A CYS   124 SG ? ? A CYS 356 A CYS   369 1_555 ? ? ? ? ? ? ? 2.040 ? ? 
disulf5  disulf ? ? B CYS 8   SG  ? ? ? 1_555 B CYS   139 SG ? ? B CYS 253 B CYS   384 1_555 ? ? ? ? ? ? ? 2.062 ? ? 
disulf6  disulf ? ? B CYS 11  SG  ? ? ? 1_555 B CYS   22  SG ? ? B CYS 256 B CYS   267 1_555 ? ? ? ? ? ? ? 2.146 ? ? 
disulf7  disulf ? ? B CYS 39  SG  ? ? ? 1_555 B CYS   132 SG ? ? B CYS 284 B CYS   377 1_555 ? ? ? ? ? ? ? 2.125 ? ? 
disulf8  disulf ? ? B CYS 111 SG  ? ? ? 1_555 B CYS   124 SG ? ? B CYS 356 B CYS   369 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf9  disulf ? ? C CYS 8   SG  ? ? ? 1_555 C CYS   139 SG ? ? C CYS 253 C CYS   384 1_555 ? ? ? ? ? ? ? 2.057 ? ? 
disulf10 disulf ? ? C CYS 11  SG  ? ? ? 1_555 C CYS   22  SG ? ? C CYS 256 C CYS   267 1_555 ? ? ? ? ? ? ? 2.104 ? ? 
disulf11 disulf ? ? C CYS 39  SG  ? ? ? 1_555 C CYS   132 SG ? ? C CYS 284 C CYS   377 1_555 ? ? ? ? ? ? ? 2.113 ? ? 
disulf12 disulf ? ? C CYS 111 SG  ? ? ? 1_555 C CYS   124 SG ? ? C CYS 356 C CYS   369 1_555 ? ? ? ? ? ? ? 2.043 ? ? 
metalc1  metalc ? ? A ASP 75  OD1 ? ? ? 1_555 D CA    .   CA ? ? A ASP 320 A CA    501 1_555 ? ? ? ? ? ? ? 2.674 ? ? 
metalc2  metalc ? ? A ASP 75  OD2 ? ? ? 1_555 D CA    .   CA ? ? A ASP 320 A CA    501 1_555 ? ? ? ? ? ? ? 2.472 ? ? 
metalc3  metalc ? ? A GLU 79  OE1 ? ? ? 1_555 D CA    .   CA ? ? A GLU 324 A CA    501 1_555 ? ? ? ? ? ? ? 2.418 ? ? 
metalc4  metalc ? ? A GLU 79  OE2 ? ? ? 1_555 D CA    .   CA ? ? A GLU 324 A CA    501 1_555 ? ? ? ? ? ? ? 2.660 ? ? 
metalc5  metalc ? ? A GLU 79  OE1 ? ? ? 1_555 F CA    .   CA ? ? A GLU 324 A CA    503 1_555 ? ? ? ? ? ? ? 2.456 ? ? 
metalc6  metalc ? ? A GLU 102 OE1 ? ? ? 1_555 E CA    .   CA ? ? A GLU 347 A CA    502 1_555 ? ? ? ? ? ? ? 2.545 ? ? 
metalc7  metalc ? ? A ASN 104 OD1 ? ? ? 1_555 E CA    .   CA ? ? A ASN 349 A CA    502 1_555 ? ? ? ? ? ? ? 2.463 ? ? 
metalc8  metalc ? ? A ASN 105 OD1 ? ? ? 1_555 D CA    .   CA ? ? A ASN 350 A CA    501 1_555 ? ? ? ? ? ? ? 2.539 ? ? 
metalc9  metalc ? ? A GLU 108 OE1 ? ? ? 1_555 F CA    .   CA ? ? A GLU 353 A CA    503 1_555 ? ? ? ? ? ? ? 2.372 ? ? 
metalc10 metalc ? ? A GLU 109 O   ? ? ? 1_555 D CA    .   CA ? ? A GLU 354 A CA    501 1_555 ? ? ? ? ? ? ? 2.429 ? ? 
metalc11 metalc ? ? A GLU 109 OE1 ? ? ? 1_555 E CA    .   CA ? ? A GLU 354 A CA    502 1_555 ? ? ? ? ? ? ? 2.381 ? ? 
metalc12 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 D CA    .   CA ? ? A ASP 355 A CA    501 1_555 ? ? ? ? ? ? ? 2.334 ? ? 
metalc13 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 F CA    .   CA ? ? A ASP 355 A CA    503 1_555 ? ? ? ? ? ? ? 2.528 ? ? 
metalc14 metalc ? ? A ASP 110 OD2 ? ? ? 1_555 F CA    .   CA ? ? A ASP 355 A CA    503 1_555 ? ? ? ? ? ? ? 2.643 ? ? 
metalc15 metalc ? ? A ASN 120 OD1 ? ? ? 1_555 E CA    .   CA ? ? A ASN 365 A CA    502 1_555 ? ? ? ? ? ? ? 2.339 ? ? 
metalc16 metalc ? ? A ASP 121 O   ? ? ? 1_555 E CA    .   CA ? ? A ASP 366 A CA    502 1_555 ? ? ? ? ? ? ? 2.472 ? ? 
metalc17 metalc ? ? A ASP 121 OD1 ? ? ? 1_555 E CA    .   CA ? ? A ASP 366 A CA    502 1_555 ? ? ? ? ? ? ? 2.341 ? ? 
metalc18 metalc ? ? D CA  .   CA  ? ? ? 1_555 P HOH   .   O  ? ? A CA  501 A HOH   636 1_555 ? ? ? ? ? ? ? 2.327 ? ? 
metalc19 metalc ? ? E CA  .   CA  ? ? ? 1_555 G A1H5Y .   O4 ? ? A CA  502 A A1H5Y 504 1_555 ? ? ? ? ? ? ? 2.509 ? ? 
metalc20 metalc ? ? E CA  .   CA  ? ? ? 1_555 G A1H5Y .   O3 ? ? A CA  502 A A1H5Y 504 1_555 ? ? ? ? ? ? ? 2.506 ? ? 
metalc21 metalc ? ? F CA  .   CA  ? ? ? 1_555 P HOH   .   O  ? ? A CA  503 A HOH   608 1_555 ? ? ? ? ? ? ? 2.519 ? ? 
metalc22 metalc ? ? F CA  .   CA  ? ? ? 1_555 P HOH   .   O  ? ? A CA  503 A HOH   689 1_555 ? ? ? ? ? ? ? 2.384 ? ? 
metalc23 metalc ? ? F CA  .   CA  ? ? ? 1_555 P HOH   .   O  ? ? A CA  503 A HOH   708 1_555 ? ? ? ? ? ? ? 2.475 ? ? 
metalc24 metalc ? ? B ASP 75  OD1 ? ? ? 1_555 H CA    .   CA ? ? B ASP 320 B CA    501 1_555 ? ? ? ? ? ? ? 2.643 ? ? 
metalc25 metalc ? ? B ASP 75  OD2 ? ? ? 1_555 H CA    .   CA ? ? B ASP 320 B CA    501 1_555 ? ? ? ? ? ? ? 2.558 ? ? 
metalc26 metalc ? ? B GLU 79  OE1 ? ? ? 1_555 H CA    .   CA ? ? B GLU 324 B CA    501 1_555 ? ? ? ? ? ? ? 2.401 ? ? 
metalc27 metalc ? ? B GLU 79  OE2 ? ? ? 1_555 H CA    .   CA ? ? B GLU 324 B CA    501 1_555 ? ? ? ? ? ? ? 2.567 ? ? 
metalc28 metalc ? ? B GLU 79  OE1 ? ? ? 1_555 J CA    .   CA ? ? B GLU 324 B CA    503 1_555 ? ? ? ? ? ? ? 2.783 ? ? 
metalc29 metalc ? ? B GLU 102 OE1 ? ? ? 1_555 I CA    .   CA ? ? B GLU 347 B CA    502 1_555 ? ? ? ? ? ? ? 2.511 ? ? 
metalc30 metalc ? ? B ASN 104 OD1 ? ? ? 1_555 I CA    .   CA ? ? B ASN 349 B CA    502 1_555 ? ? ? ? ? ? ? 2.442 ? ? 
metalc31 metalc ? ? B ASN 105 OD1 ? ? ? 1_555 H CA    .   CA ? ? B ASN 350 B CA    501 1_555 ? ? ? ? ? ? ? 2.599 ? ? 
metalc32 metalc ? ? B GLU 108 OE2 ? ? ? 1_555 J CA    .   CA ? ? B GLU 353 B CA    503 1_555 ? ? ? ? ? ? ? 2.323 ? ? 
metalc33 metalc ? ? B GLU 109 O   ? ? ? 1_555 H CA    .   CA ? ? B GLU 354 B CA    501 1_555 ? ? ? ? ? ? ? 2.451 ? ? 
metalc34 metalc ? ? B GLU 109 OE1 ? ? ? 1_555 I CA    .   CA ? ? B GLU 354 B CA    502 1_555 ? ? ? ? ? ? ? 2.373 ? ? 
metalc35 metalc ? ? B ASP 110 OD1 ? ? ? 1_555 H CA    .   CA ? ? B ASP 355 B CA    501 1_555 ? ? ? ? ? ? ? 2.420 ? ? 
metalc36 metalc ? ? B ASP 110 OD1 ? ? ? 1_555 J CA    .   CA ? ? B ASP 355 B CA    503 1_555 ? ? ? ? ? ? ? 2.769 ? ? 
metalc37 metalc ? ? B ASP 110 OD2 ? ? ? 1_555 J CA    .   CA ? ? B ASP 355 B CA    503 1_555 ? ? ? ? ? ? ? 2.656 ? ? 
metalc38 metalc ? ? B ASN 120 OD1 ? ? ? 1_555 I CA    .   CA ? ? B ASN 365 B CA    502 1_555 ? ? ? ? ? ? ? 2.444 ? ? 
metalc39 metalc ? ? B ASP 121 O   ? ? ? 1_555 I CA    .   CA ? ? B ASP 366 B CA    502 1_555 ? ? ? ? ? ? ? 2.456 ? ? 
metalc40 metalc ? ? B ASP 121 OD1 ? ? ? 1_555 I CA    .   CA ? ? B ASP 366 B CA    502 1_555 ? ? ? ? ? ? ? 2.363 ? ? 
metalc41 metalc ? ? H CA  .   CA  ? ? ? 1_555 Q HOH   .   O  ? ? B CA  501 B HOH   627 1_555 ? ? ? ? ? ? ? 2.323 ? ? 
metalc42 metalc ? ? I CA  .   CA  ? ? ? 1_555 K A1H5Y .   O3 ? ? B CA  502 B A1H5Y 504 1_555 ? ? ? ? ? ? ? 2.536 ? ? 
metalc43 metalc ? ? I CA  .   CA  ? ? ? 1_555 K A1H5Y .   O4 ? ? B CA  502 B A1H5Y 504 1_555 ? ? ? ? ? ? ? 2.562 ? ? 
metalc44 metalc ? ? J CA  .   CA  ? ? ? 1_555 Q HOH   .   O  ? ? B CA  503 B HOH   608 1_555 ? ? ? ? ? ? ? 2.697 ? ? 
metalc45 metalc ? ? J CA  .   CA  ? ? ? 1_555 Q HOH   .   O  ? ? B CA  503 B HOH   696 1_555 ? ? ? ? ? ? ? 2.378 ? ? 
metalc46 metalc ? ? C ASP 75  OD1 ? ? ? 1_555 L CA    .   CA ? ? C ASP 320 C CA    501 1_555 ? ? ? ? ? ? ? 2.786 ? ? 
metalc47 metalc ? ? C ASP 75  OD2 ? ? ? 1_555 L CA    .   CA ? ? C ASP 320 C CA    501 1_555 ? ? ? ? ? ? ? 2.518 ? ? 
metalc48 metalc ? ? C GLU 79  OE1 ? ? ? 1_555 L CA    .   CA ? ? C GLU 324 C CA    501 1_555 ? ? ? ? ? ? ? 2.415 ? ? 
metalc49 metalc ? ? C GLU 79  OE2 ? ? ? 1_555 L CA    .   CA ? ? C GLU 324 C CA    501 1_555 ? ? ? ? ? ? ? 2.604 ? ? 
metalc50 metalc ? ? C GLU 79  OE1 ? ? ? 1_555 N CA    .   CA ? ? C GLU 324 C CA    503 1_555 ? ? ? ? ? ? ? 2.499 ? ? 
metalc51 metalc ? ? C GLU 102 OE1 ? ? ? 1_555 M CA    .   CA ? ? C GLU 347 C CA    502 1_555 ? ? ? ? ? ? ? 2.648 ? ? 
metalc52 metalc ? ? C ASN 104 OD1 ? ? ? 1_555 M CA    .   CA ? ? C ASN 349 C CA    502 1_555 ? ? ? ? ? ? ? 2.550 ? ? 
metalc53 metalc ? ? C ASN 105 OD1 ? ? ? 1_555 L CA    .   CA ? ? C ASN 350 C CA    501 1_555 ? ? ? ? ? ? ? 2.542 ? ? 
metalc54 metalc ? ? C GLU 108 OE2 ? ? ? 1_555 N CA    .   CA ? ? C GLU 353 C CA    503 1_555 ? ? ? ? ? ? ? 2.588 ? ? 
metalc55 metalc ? ? C GLU 109 O   ? ? ? 1_555 L CA    .   CA ? ? C GLU 354 C CA    501 1_555 ? ? ? ? ? ? ? 2.410 ? ? 
metalc56 metalc ? ? C GLU 109 OE1 ? ? ? 1_555 M CA    .   CA ? ? C GLU 354 C CA    502 1_555 ? ? ? ? ? ? ? 2.444 ? ? 
metalc57 metalc ? ? C ASP 110 OD1 ? ? ? 1_555 L CA    .   CA ? ? C ASP 355 C CA    501 1_555 ? ? ? ? ? ? ? 2.283 ? ? 
metalc58 metalc ? ? C ASP 110 OD1 ? ? ? 1_555 N CA    .   CA ? ? C ASP 355 C CA    503 1_555 ? ? ? ? ? ? ? 2.666 ? ? 
metalc59 metalc ? ? C ASP 110 OD2 ? ? ? 1_555 N CA    .   CA ? ? C ASP 355 C CA    503 1_555 ? ? ? ? ? ? ? 2.621 ? ? 
metalc60 metalc ? ? C ASN 120 OD1 ? ? ? 1_555 M CA    .   CA ? ? C ASN 365 C CA    502 1_555 ? ? ? ? ? ? ? 2.403 ? ? 
metalc61 metalc ? ? C ASP 121 O   ? ? ? 1_555 M CA    .   CA ? ? C ASP 366 C CA    502 1_555 ? ? ? ? ? ? ? 2.382 ? ? 
metalc62 metalc ? ? C ASP 121 OD1 ? ? ? 1_555 M CA    .   CA ? ? C ASP 366 C CA    502 1_555 ? ? ? ? ? ? ? 2.385 ? ? 
metalc63 metalc ? ? L CA  .   CA  ? ? ? 1_555 R HOH   .   O  ? ? C CA  501 C HOH   620 1_555 ? ? ? ? ? ? ? 2.443 ? ? 
metalc64 metalc ? ? M CA  .   CA  ? ? ? 1_555 O A1H5Y .   O3 ? ? C CA  502 C A1H5Y 504 1_555 ? ? ? ? ? ? ? 2.574 ? ? 
metalc65 metalc ? ? M CA  .   CA  ? ? ? 1_555 O A1H5Y .   O4 ? ? C CA  502 C A1H5Y 504 1_555 ? ? ? ? ? ? ? 2.463 ? ? 
metalc66 metalc ? ? N CA  .   CA  ? ? ? 1_555 R HOH   .   O  ? ? C CA  503 C HOH   612 1_555 ? ? ? ? ? ? ? 2.628 ? ? 
metalc67 metalc ? ? N CA  .   CA  ? ? ? 1_555 R HOH   .   O  ? ? C CA  503 C HOH   682 1_555 ? ? ? ? ? ? ? 2.291 ? ? 
# 
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   OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD2 ? A ASP   75  ? A ASP   320 ? 1_555 49.7  ? 
2   OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OE1 ? A GLU   79  ? A GLU   324 ? 1_555 99.5  ? 
3   OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OE1 ? A GLU   79  ? A GLU   324 ? 1_555 81.0  ? 
4   OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OE2 ? A GLU   79  ? A GLU   324 ? 1_555 119.9 ? 
5   OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OE2 ? A GLU   79  ? A GLU   324 ? 1_555 72.4  ? 
6   OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OE2 ? A GLU   79  ? A GLU   324 ? 1_555 51.2  ? 
7   OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASN   105 ? A ASN   350 ? 1_555 158.7 ? 
8   OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASN   105 ? A ASN   350 ? 1_555 151.4 ? 
9   OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASN   105 ? A ASN   350 ? 1_555 85.8  ? 
10  OE2 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASN   105 ? A ASN   350 ? 1_555 79.5  ? 
11  OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 92.0  ? 
12  OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 125.9 ? 
13  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 150.5 ? 
14  OE2 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 141.2 ? 
15  OD1 ? A ASN   105 ? A ASN   350 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? A GLU   109 ? A GLU   354 ? 1_555 74.6  ? 
16  OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 76.6  ? 
17  OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 117.3 ? 
18  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 78.6  ? 
19  OE2 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 127.9 ? 
20  OD1 ? A ASN   105 ? A ASN   350 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 84.4  ? 
21  O   ? A GLU   109 ? A GLU   354 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 77.8  ? 
22  OD1 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 107.0 ? 
23  OD2 ? A ASP   75  ? A ASP   320 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 83.8  ? 
24  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 128.7 ? 
25  OE2 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 77.4  ? 
26  OD1 ? A ASN   105 ? A ASN   350 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 84.9  ? 
27  O   ? A GLU   109 ? A GLU   354 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 72.0  ? 
28  OD1 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? D CA . ? A CA 501 ? 1_555 O   ? P HOH   .   ? A HOH   636 ? 1_555 149.7 ? 
29  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 OE1 ? A GLU   108 ? A GLU   353 ? 1_555 107.5 ? 
30  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 74.3  ? 
31  OE1 ? A GLU   108 ? A GLU   353 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 OD1 ? A ASP   110 ? A ASP   355 ? 1_555 93.2  ? 
32  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 OD2 ? A ASP   110 ? A ASP   355 ? 1_555 120.5 ? 
33  OE1 ? A GLU   108 ? A GLU   353 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 OD2 ? A ASP   110 ? A ASP   355 ? 1_555 96.6  ? 
34  OD1 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 OD2 ? A ASP   110 ? A ASP   355 ? 1_555 50.3  ? 
35  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   608 ? 1_555 79.4  ? 
36  OE1 ? A GLU   108 ? A GLU   353 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   608 ? 1_555 169.2 ? 
37  OD1 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   608 ? 1_555 96.8  ? 
38  OD2 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   608 ? 1_555 86.7  ? 
39  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   689 ? 1_555 163.6 ? 
40  OE1 ? A GLU   108 ? A GLU   353 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   689 ? 1_555 77.9  ? 
41  OD1 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   689 ? 1_555 121.4 ? 
42  OD2 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   689 ? 1_555 73.1  ? 
43  O   ? P HOH   .   ? A HOH   608 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   689 ? 1_555 93.3  ? 
44  OE1 ? A GLU   79  ? A GLU   324 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   708 ? 1_555 81.9  ? 
45  OE1 ? A GLU   108 ? A GLU   353 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   708 ? 1_555 81.1  ? 
46  OD1 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   708 ? 1_555 152.6 ? 
47  OD2 ? A ASP   110 ? A ASP   355 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   708 ? 1_555 156.8 ? 
48  O   ? P HOH   .   ? A HOH   608 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   708 ? 1_555 91.8  ? 
49  O   ? P HOH   .   ? A HOH   689 ? 1_555 CA ? F CA . ? A CA 503 ? 1_555 O   ? P HOH   .   ? A HOH   708 ? 1_555 83.8  ? 
50  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASN   104 ? A ASN   349 ? 1_555 74.7  ? 
51  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 144.2 ? 
52  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OE1 ? A GLU   109 ? A GLU   354 ? 1_555 72.3  ? 
53  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 67.8  ? 
54  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 141.6 ? 
55  OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASN   120 ? A ASN   365 ? 1_555 146.1 ? 
56  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 129.0 ? 
57  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 138.9 ? 
58  OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 72.7  ? 
59  OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O   ? A ASP   121 ? A ASP   366 ? 1_555 75.3  ? 
60  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 72.3  ? 
61  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 87.1  ? 
62  OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 92.2  ? 
63  OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 89.3  ? 
64  O   ? A ASP   121 ? A ASP   366 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 OD1 ? A ASP   121 ? A ASP   366 ? 1_555 73.3  ? 
65  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 133.2 ? 
66  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 118.3 ? 
67  OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 76.3  ? 
68  OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 83.7  ? 
69  O   ? A ASP   121 ? A ASP   366 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 72.8  ? 
70  OD1 ? A ASP   121 ? A ASP   366 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 146.1 ? 
71  OE1 ? A GLU   102 ? A GLU   347 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 71.9  ? 
72  OD1 ? A ASN   104 ? A ASN   349 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 82.4  ? 
73  OE1 ? A GLU   109 ? A GLU   354 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 116.5 ? 
74  OD1 ? A ASN   120 ? A ASN   365 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 78.5  ? 
75  O   ? A ASP   121 ? A ASP   366 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 133.3 ? 
76  OD1 ? A ASP   121 ? A ASP   366 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 144.2 ? 
77  O4  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 CA ? E CA . ? A CA 502 ? 1_555 O3  ? G A1H5Y .   ? A A1H5Y 504 ? 1_555 66.4  ? 
78  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD2 ? B ASP   75  ? B ASP   320 ? 1_555 49.5  ? 
79  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 95.5  ? 
80  OD2 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 80.1  ? 
81  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OE2 ? B GLU   79  ? B GLU   324 ? 1_555 120.3 ? 
82  OD2 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OE2 ? B GLU   79  ? B GLU   324 ? 1_555 73.8  ? 
83  OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OE2 ? B GLU   79  ? B GLU   324 ? 1_555 52.5  ? 
84  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASN   105 ? B ASN   350 ? 1_555 159.8 ? 
85  OD2 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASN   105 ? B ASN   350 ? 1_555 149.9 ? 
86  OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASN   105 ? B ASN   350 ? 1_555 86.6  ? 
87  OE2 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASN   105 ? B ASN   350 ? 1_555 76.7  ? 
88  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? B GLU   109 ? B GLU   354 ? 1_555 92.1  ? 
89  OD2 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? B GLU   109 ? B GLU   354 ? 1_555 125.2 ? 
90  OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? B GLU   109 ? B GLU   354 ? 1_555 150.4 ? 
91  OE2 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? B GLU   109 ? B GLU   354 ? 1_555 142.1 ? 
92  OD1 ? B ASN   105 ? B ASN   350 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? B GLU   109 ? B GLU   354 ? 1_555 76.9  ? 
93  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 76.3  ? 
94  OD2 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 118.8 ? 
95  OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 79.1  ? 
96  OE2 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 128.4 ? 
97  OD1 ? B ASN   105 ? B ASN   350 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 84.5  ? 
98  O   ? B GLU   109 ? B GLU   354 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 74.9  ? 
99  OD1 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 106.1 ? 
100 OD2 ? B ASP   75  ? B ASP   320 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 83.9  ? 
101 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 134.0 ? 
102 OE2 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 81.7  ? 
103 OD1 ? B ASN   105 ? B ASN   350 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 86.2  ? 
104 O   ? B GLU   109 ? B GLU   354 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 69.9  ? 
105 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 CA ? H CA . ? B CA 501 ? 1_555 O   ? Q HOH   .   ? B HOH   627 ? 1_555 144.8 ? 
106 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 OE2 ? B GLU   108 ? B GLU   353 ? 1_555 103.2 ? 
107 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 67.2  ? 
108 OE2 ? B GLU   108 ? B GLU   353 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 90.5  ? 
109 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 OD2 ? B ASP   110 ? B ASP   355 ? 1_555 110.8 ? 
110 OE2 ? B GLU   108 ? B GLU   353 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 OD2 ? B ASP   110 ? B ASP   355 ? 1_555 100.7 ? 
111 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 OD2 ? B ASP   110 ? B ASP   355 ? 1_555 48.6  ? 
112 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   608 ? 1_555 71.6  ? 
113 OE2 ? B GLU   108 ? B GLU   353 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   608 ? 1_555 173.5 ? 
114 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   608 ? 1_555 90.7  ? 
115 OD2 ? B ASP   110 ? B ASP   355 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   608 ? 1_555 84.9  ? 
116 OE1 ? B GLU   79  ? B GLU   324 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   696 ? 1_555 165.9 ? 
117 OE2 ? B GLU   108 ? B GLU   353 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   696 ? 1_555 88.6  ? 
118 OD1 ? B ASP   110 ? B ASP   355 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   696 ? 1_555 121.0 ? 
119 OD2 ? B ASP   110 ? B ASP   355 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   696 ? 1_555 73.7  ? 
120 O   ? Q HOH   .   ? B HOH   608 ? 1_555 CA ? J CA . ? B CA 503 ? 1_555 O   ? Q HOH   .   ? B HOH   696 ? 1_555 96.1  ? 
121 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 73.4  ? 
122 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 143.7 ? 
123 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 73.8  ? 
124 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 70.2  ? 
125 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 141.5 ? 
126 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 144.6 ? 
127 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O   ? B ASP   121 ? B ASP   366 ? 1_555 128.0 ? 
128 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O   ? B ASP   121 ? B ASP   366 ? 1_555 137.3 ? 
129 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O   ? B ASP   121 ? B ASP   366 ? 1_555 71.2  ? 
130 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O   ? B ASP   121 ? B ASP   366 ? 1_555 77.4  ? 
131 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 70.0  ? 
132 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 86.7  ? 
133 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 93.2  ? 
134 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 92.3  ? 
135 O   ? B ASP   121 ? B ASP   366 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 71.8  ? 
136 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 73.6  ? 
137 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 81.2  ? 
138 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 115.7 ? 
139 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 77.1  ? 
140 O   ? B ASP   121 ? B ASP   366 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 136.5 ? 
141 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 143.5 ? 
142 OE1 ? B GLU   102 ? B GLU   347 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 138.1 ? 
143 OD1 ? B ASN   104 ? B ASN   349 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 115.3 ? 
144 OE1 ? B GLU   109 ? B GLU   354 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 71.4  ? 
145 OD1 ? B ASN   120 ? B ASN   365 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 85.2  ? 
146 O   ? B ASP   121 ? B ASP   366 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 75.2  ? 
147 OD1 ? B ASP   121 ? B ASP   366 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 146.7 ? 
148 O3  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 CA ? I CA . ? B CA 502 ? 1_555 O4  ? K A1H5Y .   ? B A1H5Y 504 ? 1_555 68.0  ? 
149 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 48.2  ? 
150 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 99.8  ? 
151 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 84.0  ? 
152 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 120.1 ? 
153 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 74.5  ? 
154 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 52.0  ? 
155 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 159.8 ? 
156 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 152.0 ? 
157 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 86.7  ? 
158 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 78.9  ? 
159 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? C GLU   109 ? C GLU   354 ? 1_555 91.6  ? 
160 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? C GLU   109 ? C GLU   354 ? 1_555 123.8 ? 
161 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? C GLU   109 ? C GLU   354 ? 1_555 148.9 ? 
162 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? C GLU   109 ? C GLU   354 ? 1_555 141.7 ? 
163 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? C GLU   109 ? C GLU   354 ? 1_555 73.9  ? 
164 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 75.0  ? 
165 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 115.2 ? 
166 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 76.9  ? 
167 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 127.5 ? 
168 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 88.1  ? 
169 O   ? C GLU   109 ? C GLU   354 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 78.3  ? 
170 OD1 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 103.8 ? 
171 OD2 ? C ASP   75  ? C ASP   320 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 82.3  ? 
172 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 132.8 ? 
173 OE2 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 80.8  ? 
174 OD1 ? C ASN   105 ? C ASN   350 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 84.8  ? 
175 O   ? C GLU   109 ? C GLU   354 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 70.4  ? 
176 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 CA ? L CA . ? C CA 501 ? 1_555 O   ? R HOH   .   ? C HOH   620 ? 1_555 148.7 ? 
177 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 OE2 ? C GLU   108 ? C GLU   353 ? 1_555 80.6  ? 
178 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 68.9  ? 
179 OE2 ? C GLU   108 ? C GLU   353 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 103.1 ? 
180 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 OD2 ? C ASP   110 ? C ASP   355 ? 1_555 115.9 ? 
181 OE2 ? C GLU   108 ? C GLU   353 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 OD2 ? C ASP   110 ? C ASP   355 ? 1_555 124.7 ? 
182 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 OD2 ? C ASP   110 ? C ASP   355 ? 1_555 49.6  ? 
183 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   612 ? 1_555 84.2  ? 
184 OE2 ? C GLU   108 ? C GLU   353 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   612 ? 1_555 151.3 ? 
185 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   612 ? 1_555 93.9  ? 
186 OD2 ? C ASP   110 ? C ASP   355 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   612 ? 1_555 83.9  ? 
187 OE1 ? C GLU   79  ? C GLU   324 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   682 ? 1_555 120.4 ? 
188 OE2 ? C GLU   108 ? C GLU   353 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   682 ? 1_555 77.1  ? 
189 OD1 ? C ASP   110 ? C ASP   355 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   682 ? 1_555 170.3 ? 
190 OD2 ? C ASP   110 ? C ASP   355 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   682 ? 1_555 122.3 ? 
191 O   ? R HOH   .   ? C HOH   612 ? 1_555 CA ? N CA . ? C CA 503 ? 1_555 O   ? R HOH   .   ? C HOH   682 ? 1_555 90.0  ? 
192 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 71.5  ? 
193 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 143.5 ? 
194 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 73.0  ? 
195 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 68.9  ? 
196 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 139.7 ? 
197 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 147.3 ? 
198 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O   ? C ASP   121 ? C ASP   366 ? 1_555 131.4 ? 
199 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O   ? C ASP   121 ? C ASP   366 ? 1_555 137.9 ? 
200 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O   ? C ASP   121 ? C ASP   366 ? 1_555 73.8  ? 
201 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O   ? C ASP   121 ? C ASP   366 ? 1_555 77.4  ? 
202 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 71.6  ? 
203 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 84.3  ? 
204 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 96.7  ? 
205 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 90.2  ? 
206 O   ? C ASP   121 ? C ASP   366 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 74.7  ? 
207 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 68.7  ? 
208 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 81.9  ? 
209 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 114.3 ? 
210 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 77.1  ? 
211 O   ? C ASP   121 ? C ASP   366 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 136.0 ? 
212 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 140.2 ? 
213 OE1 ? C GLU   102 ? C GLU   347 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 132.7 ? 
214 OD1 ? C ASN   104 ? C ASN   349 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 119.1 ? 
215 OE1 ? C GLU   109 ? C GLU   354 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 73.7  ? 
216 OD1 ? C ASN   120 ? C ASN   365 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 83.9  ? 
217 O   ? C ASP   121 ? C ASP   366 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 74.2  ? 
218 OD1 ? C ASP   121 ? C ASP   366 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 148.9 ? 
219 O3  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 CA ? M CA . ? C CA 502 ? 1_555 O4  ? O A1H5Y .   ? C A1H5Y 504 ? 1_555 67.9  ? 
# 
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' 
5  CYS B 8   ? CYS B 139 ? CYS B 253 ? 1_555 CYS B 384 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6  CYS B 11  ? CYS B 22  ? CYS B 256 ? 1_555 CYS B 267 ? 1_555 SG SG . . . None 'Disulfide bridge' 
7  CYS B 39  ? CYS B 132 ? CYS B 284 ? 1_555 CYS B 377 ? 1_555 SG SG . . . None 'Disulfide bridge' 
8  CYS B 111 ? CYS B 124 ? CYS B 356 ? 1_555 CYS B 369 ? 1_555 SG SG . . . None 'Disulfide bridge' 
9  CYS C 8   ? CYS C 139 ? CYS C 253 ? 1_555 CYS C 384 ? 1_555 SG SG . . . None 'Disulfide bridge' 
10 CYS C 11  ? CYS C 22  ? CYS C 256 ? 1_555 CYS C 267 ? 1_555 SG SG . . . None 'Disulfide bridge' 
11 CYS C 39  ? CYS C 132 ? CYS C 284 ? 1_555 CYS C 377 ? 1_555 SG SG . . . None 'Disulfide bridge' 
12 CYS C 111 ? CYS C 124 ? CYS C 356 ? 1_555 CYS C 369 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 GLU 102 A . ? GLU 347 A PRO 103 A ? PRO 348 A 1 -3.39 
2 GLU 102 B . ? GLU 347 B PRO 103 B ? PRO 348 B 1 -5.38 
3 GLU 102 C . ? GLU 347 C PRO 103 C ? PRO 348 C 1 -5.20 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 5 ? 
AA3 ? 5 ? 
AA4 ? 5 ? 
AA5 ? 5 ? 
AA6 ? 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 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? parallel      
AA3 4 5 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? parallel      
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? parallel      
AA5 4 5 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA6 2 3 ? parallel      
AA6 3 4 ? anti-parallel 
AA6 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 
AA3 1 THR B 16  ? PHE B 18  ? THR B 261 PHE B 263 
AA3 2 ASN B 21  ? MET B 25  ? ASN B 266 MET B 270 
AA3 3 PHE B 129 ? SER B 135 ? PHE B 374 SER B 380 
AA3 4 THR B 69  ? SER B 74  ? THR B 314 SER B 319 
AA3 5 GLN B 83  ? TRP B 84  ? GLN B 328 TRP B 329 
AA4 1 GLN B 45  ? LEU B 46  ? GLN B 290 LEU B 291 
AA4 2 PHE B 129 ? SER B 135 ? PHE B 374 SER B 380 
AA4 3 THR B 69  ? SER B 74  ? THR B 314 SER B 319 
AA4 4 CYS B 111 ? SER B 115 ? CYS B 356 SER B 360 
AA4 5 GLY B 118 ? ASP B 122 ? GLY B 363 ASP B 367 
AA5 1 THR C 16  ? PHE C 18  ? THR C 261 PHE C 263 
AA5 2 ASN C 21  ? MET C 25  ? ASN C 266 MET C 270 
AA5 3 PHE C 129 ? SER C 135 ? PHE C 374 SER C 380 
AA5 4 THR C 69  ? SER C 74  ? THR C 314 SER C 319 
AA5 5 GLN C 83  ? TRP C 84  ? GLN C 328 TRP C 329 
AA6 1 GLN C 45  ? LEU C 46  ? GLN C 290 LEU C 291 
AA6 2 PHE C 129 ? SER C 135 ? PHE C 374 SER C 380 
AA6 3 THR C 69  ? SER C 74  ? THR C 314 SER C 319 
AA6 4 CYS C 111 ? SER C 115 ? CYS C 356 SER C 360 
AA6 5 GLY C 118 ? ASP C 122 ? GLY C 363 ASP C 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 SER A 115 ? N SER A 360 O GLY A 118 ? O GLY A 363 
AA3 1 2 N THR B 16  ? N THR B 261 O TYR B 23  ? O TYR B 268 
AA3 2 3 N CYS B 22  ? N CYS B 267 O LYS B 134 ? O LYS B 379 
AA3 3 4 O PHE B 129 ? O PHE B 374 N TRP B 70  ? N TRP B 315 
AA3 4 5 N SER B 74  ? N SER B 319 O GLN B 83  ? O GLN B 328 
AA4 1 2 N GLN B 45  ? N GLN B 290 O LYS B 133 ? O LYS B 378 
AA4 2 3 O PHE B 129 ? O PHE B 374 N TRP B 70  ? N TRP B 315 
AA4 3 4 N THR B 69  ? N THR B 314 O PHE B 114 ? O PHE B 359 
AA4 4 5 N SER B 115 ? N SER B 360 O GLY B 118 ? O GLY B 363 
AA5 1 2 N THR C 16  ? N THR C 261 O TYR C 23  ? O TYR C 268 
AA5 2 3 N CYS C 22  ? N CYS C 267 O LYS C 134 ? O LYS C 379 
AA5 3 4 O PHE C 129 ? O PHE C 374 N TRP C 70  ? N TRP C 315 
AA5 4 5 N SER C 74  ? N SER C 319 O GLN C 83  ? O GLN C 328 
AA6 1 2 N GLN C 45  ? N GLN C 290 O LYS C 133 ? O LYS C 378 
AA6 2 3 O PHE C 129 ? O PHE C 374 N TRP C 70  ? N TRP C 315 
AA6 3 4 N THR C 69  ? N THR C 314 O PHE C 114 ? O PHE C 359 
AA6 4 5 N SER C 115 ? N SER C 360 O GLY C 118 ? O GLY C 363 
# 
_pdbx_entry_details.entry_id                   9EMR 
_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_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O B HOH 718 ? ? O B HOH 736 ? ? 2.11 
2 1 O A HOH 711 ? ? O A HOH 718 ? ? 2.12 
3 1 O C HOH 659 ? ? O C HOH 694 ? ? 2.16 
4 1 O B HOH 620 ? ? O B HOH 733 ? ? 2.16 
5 1 O B HOH 709 ? ? O B HOH 715 ? ? 2.19 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     681 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     706 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   1_565 
_pdbx_validate_symm_contact.dist              2.12 
# 
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 GLU A 259 ? ? 82.94 -5.30 
2 1 GLU A 353 ? ? 68.41 97.04 
3 1 GLU B 259 ? ? 83.84 -4.85 
4 1 GLU B 353 ? ? 68.00 97.04 
5 1 GLU C 259 ? ? 82.67 -5.08 
6 1 GLU C 353 ? ? 66.99 97.50 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined -31.9496 18.6449  -1.1343 0.2004 ? 0.0313  ? -0.0125 ? 0.2386 ? 0.0199  ? 0.1896 ? 0.0512 ? 
-0.0785 ? -0.0443 ? 0.1178 ? 0.0675  ? 0.0376 ? -0.0484 ? 0.2395  ? 0.0451  ? -0.1604 ? -0.1340 ? 0.2938  ? -0.4351 ? -0.0741 ? 
-0.0092 ? 
2  'X-RAY DIFFRACTION' ? refined -25.7729 17.5992  8.5560  0.1117 ? 0.0036  ? 0.0133  ? 0.1814 ? 0.0078  ? 0.1790 ? 0.1576 ? 
-0.1213 ? 0.0772  ? 0.1098 ? -0.0091 ? 0.1835 ? -0.1049 ? 0.1756  ? 0.0609  ? -0.1163 ? 0.0082  ? 0.0240  ? 0.0172  ? 0.0999  ? 
-0.1389 ? 
3  'X-RAY DIFFRACTION' ? refined -27.7327 23.6451  15.6956 0.1739 ? -0.0023 ? 0.0198  ? 0.1374 ? -0.0055 ? 0.1945 ? 0.2202 ? 
0.1808  ? -0.1148 ? 0.3306 ? -0.0324 ? 0.1498 ? -0.1288 ? 0.1459  ? 0.2146  ? -0.0829 ? 0.1783  ? 0.4032  ? -0.0287 ? -0.0929 ? 
0.0134  ? 
4  'X-RAY DIFFRACTION' ? refined -23.6662 7.7677   12.7008 0.1707 ? 0.0053  ? 0.0012  ? 0.1824 ? -0.0039 ? 0.1559 ? 0.0527 ? 
-0.0013 ? 0.0473  ? 0.0375 ? -0.0164 ? 0.0603 ? 0.0513  ? 0.1761  ? -0.0738 ? 0.0366  ? 0.0454  ? 0.0286  ? 0.2256  ? 0.0698  ? 
0.0001  ? 
5  'X-RAY DIFFRACTION' ? refined -19.5035 17.2734  18.7741 0.1918 ? 0.0220  ? 0.0337  ? 0.1906 ? -0.0053 ? 0.1544 ? 0.0370 ? 
-0.0475 ? 0.0241  ? 0.0579 ? -0.0293 ? 0.0147 ? -0.0426 ? 0.1153  ? -0.0186 ? 0.0608  ? -0.0928 ? -0.0466 ? 0.0880  ? 0.1035  ? 
-0.0013 ? 
6  'X-RAY DIFFRACTION' ? refined -27.0612 20.3603  30.0078 0.3226 ? 0.0137  ? 0.0478  ? 0.2175 ? -0.0314 ? 0.1947 ? 0.0317 ? 
0.0150  ? 0.0202  ? 0.0157 ? -0.0040 ? 0.0214 ? -0.1936 ? -0.3380 ? 0.0741  ? 0.5361  ? -0.0709 ? 0.1713  ? -0.0713 ? -0.1792 ? 
-0.0447 ? 
7  'X-RAY DIFFRACTION' ? refined -30.3021 10.6647  26.2092 0.2276 ? -0.0239 ? 0.0668  ? 0.1913 ? -0.0067 ? 0.1648 ? 0.0757 ? 
0.1265  ? 0.1930  ? 0.2065 ? 0.3216  ? 0.5012 ? 0.1005  ? -0.0645 ? -0.0148 ? 0.3040  ? -0.0462 ? 0.2649  ? 0.2814  ? 0.0074  ? 
0.0949  ? 
8  'X-RAY DIFFRACTION' ? refined -17.1600 13.7574  26.1700 0.2417 ? -0.0056 ? -0.0031 ? 0.1924 ? -0.0183 ? 0.1497 ? 0.0457 ? 
0.0328  ? -0.0553 ? 0.1053 ? 0.0130  ? 0.1271 ? 0.0444  ? -0.1646 ? 0.0315  ? 0.2870  ? -0.0997 ? 0.0328  ? -0.0385 ? 0.0674  ? 
-0.0314 ? 
9  'X-RAY DIFFRACTION' ? refined -15.8009 22.8640  18.1456 0.1806 ? 0.0155  ? -0.0217 ? 0.2027 ? -0.0024 ? 0.2409 ? 0.0234 ? 
-0.0054 ? 0.0177  ? 0.0301 ? 0.0113  ? 0.0164 ? 0.0916  ? -0.0494 ? 0.0836  ? 0.1833  ? 0.0109  ? -0.2116 ? -0.0066 ? 0.1046  ? 
0.0002  ? 
10 'X-RAY DIFFRACTION' ? refined -34.9521 18.0235  6.7551  0.1084 ? 0.0234  ? 0.0208  ? 0.2136 ? -0.0004 ? 0.2629 ? 0.2397 ? 
0.0240  ? 0.2660  ? 0.4033 ? -0.3852 ? 0.7328 ? -0.0905 ? 0.0719  ? 0.0312  ? 0.1548  ? -0.0384 ? 0.1774  ? -0.0611 ? -0.1495 ? 
-0.0629 ? 
11 'X-RAY DIFFRACTION' ? refined -25.4355 -20.6709 -1.2269 0.1883 ? -0.0112 ? -0.0082 ? 0.1926 ? -0.0253 ? 0.1508 ? 0.0345 ? 
0.0269  ? -0.0215 ? 0.0554 ? -0.0472 ? 0.0346 ? 0.0368  ? -0.0620 ? -0.1439 ? -0.2237 ? -0.0835 ? -0.0974 ? 0.2692  ? -0.1676 ? 
-0.0029 ? 
12 'X-RAY DIFFRACTION' ? refined -27.4781 -14.8094 8.4952  0.1352 ? 0.0034  ? 0.0177  ? 0.1446 ? -0.0027 ? 0.1729 ? 0.0232 ? 
0.0425  ? 0.0353  ? 0.1637 ? 0.1622  ? 0.1575 ? 0.0058  ? 0.0527  ? 0.1606  ? -0.1470 ? -0.0414 ? 0.0373  ? -0.1055 ? -0.0165 ? 
-0.0101 ? 
13 'X-RAY DIFFRACTION' ? refined -31.9984 -19.6038 15.5771 0.1156 ? -0.0184 ? 0.0295  ? 0.1646 ? -0.0174 ? 0.1686 ? 0.0738 ? 
0.0736  ? -0.0431 ? 0.1676 ? -0.0021 ? 0.0370 ? -0.0121 ? 0.1185  ? -0.2360 ? 0.0972  ? -0.0037 ? 0.0705  ? 0.0428  ? -0.0102 ? 
-0.0002 ? 
14 'X-RAY DIFFRACTION' ? refined -20.0825 -8.1395  12.6291 0.1978 ? -0.0061 ? -0.0048 ? 0.1343 ? -0.0135 ? 0.1481 ? 0.0959 ? 
0.0273  ? -0.0803 ? 0.0646 ? -0.0340 ? 0.0680 ? 0.0902  ? 0.0251  ? 0.0151  ? -0.1477 ? -0.0708 ? -0.2181 ? -0.0100 ? 0.1922  ? 
-0.0021 ? 
15 'X-RAY DIFFRACTION' ? refined -30.3449 -9.2954  18.7046 0.2234 ? -0.0220 ? 0.0205  ? 0.1615 ? 0.0140  ? 0.1752 ? 0.0062 ? 
0.0067  ? 0.0047  ? 0.0510 ? 0.0497  ? 0.0482 ? 0.0271  ? 0.1275  ? -0.0333 ? 0.0796  ? -0.1564 ? 0.1264  ? -0.1351 ? 0.1236  ? 
-0.0025 ? 
16 'X-RAY DIFFRACTION' ? refined -29.1646 -17.4981 29.8915 0.3665 ? -0.0438 ? 0.0639  ? 0.1952 ? 0.0268  ? 0.1475 ? 0.0658 ? 
0.0539  ? -0.0627 ? 0.1059 ? -0.0460 ? 0.0634 ? -0.1567 ? -0.2148 ? -0.1311 ? 0.5228  ? -0.0768 ? -0.0022 ? 0.1674  ? 0.2130  ? 
-0.0139 ? 
17 'X-RAY DIFFRACTION' ? refined -19.0674 -15.4408 26.1626 0.2480 ? 0.0125  ? -0.0169 ? 0.2020 ? 0.0259  ? 0.1753 ? 0.0573 ? 
-0.0493 ? -0.0082 ? 0.0417 ? 0.0115  ? 0.0022 ? -0.1122 ? -0.0491 ? -0.1392 ? 0.0765  ? 0.2066  ? -0.1847 ? 0.0884  ? 0.1192  ? 
-0.0007 ? 
18 'X-RAY DIFFRACTION' ? refined -30.6632 -6.4401  24.0729 0.2273 ? -0.0060 ? 0.0337  ? 0.1691 ? -0.0082 ? 0.1511 ? 0.1552 ? 
-0.2452 ? 0.0205  ? 0.4273 ? 0.1127  ? 0.2921 ? -0.1259 ? -0.0587 ? -0.0617 ? 0.2889  ? -0.0230 ? 0.1552  ? -0.0882 ? -0.0661 ? 
-0.0770 ? 
19 'X-RAY DIFFRACTION' ? refined -23.3498 -22.9857 6.6403  0.2008 ? 0.0356  ? 0.0226  ? 0.1307 ? 0.0027  ? 0.2457 ? 0.2097 ? 
0.1343  ? 0.2093  ? 0.1399 ? 0.2577  ? 0.5431 ? 0.0907  ? -0.0724 ? -0.1540 ? -0.0523 ? -0.2100 ? 0.0176  ? 0.2118  ? 0.0172  ? 
-0.0145 ? 
20 'X-RAY DIFFRACTION' ? refined 5.4150   4.6080   -1.1866 0.1579 ? -0.0066 ? 0.0136  ? 0.2336 ? -0.0261 ? 0.2600 ? 0.0070 ? 
0.0059  ? 0.0164  ? 0.0035 ? 0.0091  ? 0.0299 ? -0.1812 ? 0.1444  ? 0.0854  ? -0.0751 ? -0.0071 ? -0.1016 ? 0.0924  ? 0.2075  ? 
-0.0003 ? 
21 'X-RAY DIFFRACTION' ? refined 1.4582   -0.1685  8.5192  0.1258 ? -0.0015 ? -0.0035 ? 0.1767 ? 0.0134  ? 0.2466 ? 0.3727 ? 
0.0507  ? -0.1265 ? 0.2805 ? -0.0914 ? 0.2232 ? -0.1006 ? -0.0276 ? -0.1112 ? -0.1363 ? -0.0988 ? -0.2962 ? 0.0515  ? -0.0637 ? 
-0.3462 ? 
22 'X-RAY DIFFRACTION' ? refined 7.6800   -1.4941  15.6525 0.1104 ? 0.0142  ? -0.0301 ? 0.1793 ? 0.0133  ? 0.3353 ? 0.1372 ? 
-0.2548 ? -0.1337 ? 0.5156 ? 0.1465  ? 0.5452 ? 0.0886  ? -0.0890 ? -0.0399 ? -0.0614 ? -0.1037 ? -0.4312 ? -0.0843 ? 0.1603  ? 
-0.0161 ? 
23 'X-RAY DIFFRACTION' ? refined -8.0909  3.0783   12.6686 0.1446 ? -0.0168 ? -0.0239 ? 0.2080 ? -0.0058 ? 0.1781 ? 0.0097 ? 
0.0213  ? -0.0318 ? 0.0524 ? -0.0375 ? 0.1208 ? -0.1856 ? 0.0704  ? -0.0107 ? -0.0563 ? 0.3005  ? 0.0076  ? -0.0141 ? -0.1433 ? 
0.0022  ? 
24 'X-RAY DIFFRACTION' ? refined 1.3870   -2.8494  24.3909 0.2204 ? -0.0196 ? -0.1310 ? 0.2091 ? 0.0185  ? 0.2506 ? 0.1613 ? 
0.0375  ? -0.1178 ? 0.0654 ? 0.0875  ? 0.4142 ? 0.0533  ? -0.2255 ? -0.1918 ? 0.3352  ? -0.1509 ? -0.3964 ? 0.1608  ? -0.0790 ? 
-0.4130 ? 
25 'X-RAY DIFFRACTION' ? refined -2.2512  7.3655   26.1963 0.2309 ? 0.0040  ? -0.0568 ? 0.2482 ? -0.0338 ? 0.2708 ? 0.0217 ? 
0.0164  ? -0.0121 ? 0.0625 ? 0.0186  ? 0.0161 ? 0.0077  ? -0.3259 ? 0.1739  ? 0.3590  ? 0.0420  ? -0.1441 ? -0.0410 ? -0.0842 ? 
0.0001  ? 
26 'X-RAY DIFFRACTION' ? refined -4.2456  -7.1306  24.0663 0.2045 ? -0.0139 ? -0.0671 ? 0.2290 ? 0.0356  ? 0.2525 ? 0.2578 ? 
0.3633  ? -0.2417 ? 0.6709 ? -0.2397 ? 0.2873 ? -0.0247 ? -0.2126 ? -0.1936 ? 0.3802  ? -0.1360 ? -0.3798 ? 0.0966  ? -0.0610 ? 
-0.1529 ? 
27 'X-RAY DIFFRACTION' ? refined 6.4010   7.5175   6.6720  0.1374 ? -0.0330 ? -0.0148 ? 0.1534 ? -0.0056 ? 0.3667 ? 0.0167 ? 
-0.0191 ? -0.0546 ? 0.1784 ? 0.0874  ? 0.1924 ? -0.2064 ? -0.0173 ? 0.1184  ? -0.1231 ? 0.0511  ? -0.2941 ? -0.1638 ? 0.0771  ? 
-0.0321 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? A 253 ? ? ? A 260 ? ? 
;chain 'A' and (resid 253 through 260 )
;
2  'X-RAY DIFFRACTION' 2  ? ? A 261 ? ? ? A 276 ? ? 
;chain 'A' and (resid 261 through 276 )
;
3  'X-RAY DIFFRACTION' 3  ? ? A 277 ? ? ? A 296 ? ? 
;chain 'A' and (resid 277 through 296 )
;
4  'X-RAY DIFFRACTION' 4  ? ? A 297 ? ? ? A 310 ? ? 
;chain 'A' and (resid 297 through 310 )
;
5  'X-RAY DIFFRACTION' 5  ? ? A 311 ? ? ? A 320 ? ? 
;chain 'A' and (resid 311 through 320 )
;
6  'X-RAY DIFFRACTION' 6  ? ? A 321 ? ? ? A 330 ? ? 
;chain 'A' and (resid 321 through 330 )
;
7  'X-RAY DIFFRACTION' 7  ? ? A 331 ? ? ? A 342 ? ? 
;chain 'A' and (resid 331 through 342 )
;
8  'X-RAY DIFFRACTION' 8  ? ? A 343 ? ? ? A 367 ? ? 
;chain 'A' and (resid 343 through 367 )
;
9  'X-RAY DIFFRACTION' 9  ? ? A 368 ? ? ? A 375 ? ? 
;chain 'A' and (resid 368 through 375 )
;
10 'X-RAY DIFFRACTION' 10 ? ? A 376 ? ? ? A 384 ? ? 
;chain 'A' and (resid 376 through 384 )
;
11 'X-RAY DIFFRACTION' 11 ? ? B 253 ? ? ? B 260 ? ? 
;chain 'B' and (resid 253 through 260 )
;
12 'X-RAY DIFFRACTION' 12 ? ? B 261 ? ? ? B 276 ? ? 
;chain 'B' and (resid 261 through 276 )
;
13 'X-RAY DIFFRACTION' 13 ? ? B 277 ? ? ? B 296 ? ? 
;chain 'B' and (resid 277 through 296 )
;
14 'X-RAY DIFFRACTION' 14 ? ? B 297 ? ? ? B 310 ? ? 
;chain 'B' and (resid 297 through 310 )
;
15 'X-RAY DIFFRACTION' 15 ? ? B 311 ? ? ? B 320 ? ? 
;chain 'B' and (resid 311 through 320 )
;
16 'X-RAY DIFFRACTION' 16 ? ? B 321 ? ? ? B 330 ? ? 
;chain 'B' and (resid 321 through 330 )
;
17 'X-RAY DIFFRACTION' 17 ? ? B 331 ? ? ? B 342 ? ? 
;chain 'B' and (resid 331 through 342 )
;
18 'X-RAY DIFFRACTION' 18 ? ? B 343 ? ? ? B 375 ? ? 
;chain 'B' and (resid 343 through 375 )
;
19 'X-RAY DIFFRACTION' 19 ? ? B 376 ? ? ? B 384 ? ? 
;chain 'B' and (resid 376 through 384 )
;
20 'X-RAY DIFFRACTION' 20 ? ? C 253 ? ? ? C 260 ? ? 
;chain 'C' and (resid 253 through 260 )
;
21 'X-RAY DIFFRACTION' 21 ? ? C 261 ? ? ? C 276 ? ? 
;chain 'C' and (resid 261 through 276 )
;
22 'X-RAY DIFFRACTION' 22 ? ? C 277 ? ? ? C 296 ? ? 
;chain 'C' and (resid 277 through 296 )
;
23 'X-RAY DIFFRACTION' 23 ? ? C 297 ? ? ? C 310 ? ? 
;chain 'C' and (resid 297 through 310 )
;
24 'X-RAY DIFFRACTION' 24 ? ? C 311 ? ? ? C 330 ? ? 
;chain 'C' and (resid 311 through 330 )
;
25 'X-RAY DIFFRACTION' 25 ? ? C 331 ? ? ? C 342 ? ? 
;chain 'C' and (resid 331 through 342 )
;
26 'X-RAY DIFFRACTION' 26 ? ? C 343 ? ? ? C 375 ? ? 
;chain 'C' and (resid 343 through 375 )
;
27 'X-RAY DIFFRACTION' 27 ? ? C 376 ? ? ? C 384 ? ? 
;chain 'C' and (resid 376 through 384 )
;
# 
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 
28 1 Y 1 B GLY 246 ? B GLY 1   
29 1 Y 1 B SER 247 ? B SER 2   
30 1 Y 1 B HIS 248 ? B HIS 3   
31 1 Y 1 B MET 249 ? B MET 4   
32 1 Y 1 B GLU 250 ? B GLU 5   
33 1 Y 1 B ARG 251 ? B ARG 6   
34 1 Y 1 B LEU 252 ? B LEU 7   
35 1 Y 1 B SER 385 ? B SER 140 
36 1 Y 1 B ARG 386 ? B ARG 141 
37 1 Y 1 B ASP 387 ? B ASP 142 
38 1 Y 1 B GLU 388 ? B GLU 143 
39 1 Y 1 B GLU 389 ? B GLU 144 
40 1 Y 1 B GLN 390 ? B GLN 145 
41 1 Y 1 B PHE 391 ? B PHE 146 
42 1 Y 1 B LEU 392 ? B LEU 147 
43 1 Y 1 B SER 393 ? B SER 148 
44 1 Y 1 B PRO 394 ? B PRO 149 
45 1 Y 1 B ALA 395 ? B ALA 150 
46 1 Y 1 B PRO 396 ? B PRO 151 
47 1 Y 1 B ALA 397 ? B ALA 152 
48 1 Y 1 B THR 398 ? B THR 153 
49 1 Y 1 B PRO 399 ? B PRO 154 
50 1 Y 1 B ASN 400 ? B ASN 155 
51 1 Y 1 B PRO 401 ? B PRO 156 
52 1 Y 1 B PRO 402 ? B PRO 157 
53 1 Y 1 B PRO 403 ? B PRO 158 
54 1 Y 1 B ALA 404 ? B ALA 159 
55 1 Y 1 C GLY 246 ? C GLY 1   
56 1 Y 1 C SER 247 ? C SER 2   
57 1 Y 1 C HIS 248 ? C HIS 3   
58 1 Y 1 C MET 249 ? C MET 4   
59 1 Y 1 C GLU 250 ? C GLU 5   
60 1 Y 1 C ARG 251 ? C ARG 6   
61 1 Y 1 C LEU 252 ? C LEU 7   
62 1 Y 1 C SER 385 ? C SER 140 
63 1 Y 1 C ARG 386 ? C ARG 141 
64 1 Y 1 C ASP 387 ? C ASP 142 
65 1 Y 1 C GLU 388 ? C GLU 143 
66 1 Y 1 C GLU 389 ? C GLU 144 
67 1 Y 1 C GLN 390 ? C GLN 145 
68 1 Y 1 C PHE 391 ? C PHE 146 
69 1 Y 1 C LEU 392 ? C LEU 147 
70 1 Y 1 C SER 393 ? C SER 148 
71 1 Y 1 C PRO 394 ? C PRO 149 
72 1 Y 1 C ALA 395 ? C ALA 150 
73 1 Y 1 C PRO 396 ? C PRO 151 
74 1 Y 1 C ALA 397 ? C ALA 152 
75 1 Y 1 C THR 398 ? C THR 153 
76 1 Y 1 C PRO 399 ? C PRO 154 
77 1 Y 1 C ASN 400 ? C ASN 155 
78 1 Y 1 C PRO 401 ? C PRO 156 
79 1 Y 1 C PRO 402 ? C PRO 157 
80 1 Y 1 C PRO 403 ? C PRO 158 
81 1 Y 1 C ALA 404 ? C 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 
A1H5Y C4   C  N S 1   
A1H5Y C5   C  N R 2   
A1H5Y C6   C  N N 3   
A1H5Y N2   N  Y N 4   
A1H5Y C3   C  N R 5   
A1H5Y C1   C  N S 6   
A1H5Y C2   C  N S 7   
A1H5Y CAM  C  N N 8   
A1H5Y CAN  C  N S 9   
A1H5Y CAO  C  N N 10  
A1H5Y CAR  C  Y N 11  
A1H5Y CAS  C  Y N 12  
A1H5Y CAV  C  Y N 13  
A1H5Y CAW  C  Y N 14  
A1H5Y CAX  C  Y N 15  
A1H5Y CAY  C  Y N 16  
A1H5Y CAZ  C  Y N 17  
A1H5Y CBA  C  Y N 18  
A1H5Y NAT  N  Y N 19  
A1H5Y NAU  N  Y N 20  
A1H5Y O1   O  N N 21  
A1H5Y O3   O  N N 22  
A1H5Y O4   O  N N 23  
A1H5Y O5   O  N N 24  
A1H5Y O6   O  N N 25  
A1H5Y OAP  O  N N 26  
A1H5Y OAQ  O  N N 27  
A1H5Y H41  H  N N 28  
A1H5Y H5   H  N N 29  
A1H5Y H62  H  N N 30  
A1H5Y H61  H  N N 31  
A1H5Y H31  H  N N 32  
A1H5Y H1   H  N N 33  
A1H5Y H2   H  N N 34  
A1H5Y HAM  H  N N 35  
A1H5Y H63  H  N N 36  
A1H5Y HAN  H  N N 37  
A1H5Y HAO  H  N N 38  
A1H5Y H64  H  N N 39  
A1H5Y HAR  H  N N 40  
A1H5Y HAW  H  N N 41  
A1H5Y HAX  H  N N 42  
A1H5Y HAY  H  N N 43  
A1H5Y HAZ  H  N N 44  
A1H5Y HBA  H  N N 45  
A1H5Y H32  H  N N 46  
A1H5Y H42  H  N N 47  
A1H5Y H65  H  N N 48  
A1H5Y HAP  H  N N 49  
A1H5Y HAQ  H  N N 50  
ALA   N    N  N N 51  
ALA   CA   C  N S 52  
ALA   C    C  N N 53  
ALA   O    O  N N 54  
ALA   CB   C  N N 55  
ALA   OXT  O  N N 56  
ALA   H    H  N N 57  
ALA   H2   H  N N 58  
ALA   HA   H  N N 59  
ALA   HB1  H  N N 60  
ALA   HB2  H  N N 61  
ALA   HB3  H  N N 62  
ALA   HXT  H  N N 63  
ARG   N    N  N N 64  
ARG   CA   C  N S 65  
ARG   C    C  N N 66  
ARG   O    O  N N 67  
ARG   CB   C  N N 68  
ARG   CG   C  N N 69  
ARG   CD   C  N N 70  
ARG   NE   N  N N 71  
ARG   CZ   C  N N 72  
ARG   NH1  N  N N 73  
ARG   NH2  N  N N 74  
ARG   OXT  O  N N 75  
ARG   H    H  N N 76  
ARG   H2   H  N N 77  
ARG   HA   H  N N 78  
ARG   HB2  H  N N 79  
ARG   HB3  H  N N 80  
ARG   HG2  H  N N 81  
ARG   HG3  H  N N 82  
ARG   HD2  H  N N 83  
ARG   HD3  H  N N 84  
ARG   HE   H  N N 85  
ARG   HH11 H  N N 86  
ARG   HH12 H  N N 87  
ARG   HH21 H  N N 88  
ARG   HH22 H  N N 89  
ARG   HXT  H  N N 90  
ASN   N    N  N N 91  
ASN   CA   C  N S 92  
ASN   C    C  N N 93  
ASN   O    O  N N 94  
ASN   CB   C  N N 95  
ASN   CG   C  N N 96  
ASN   OD1  O  N N 97  
ASN   ND2  N  N N 98  
ASN   OXT  O  N N 99  
ASN   H    H  N N 100 
ASN   H2   H  N N 101 
ASN   HA   H  N N 102 
ASN   HB2  H  N N 103 
ASN   HB3  H  N N 104 
ASN   HD21 H  N N 105 
ASN   HD22 H  N N 106 
ASN   HXT  H  N N 107 
ASP   N    N  N N 108 
ASP   CA   C  N S 109 
ASP   C    C  N N 110 
ASP   O    O  N N 111 
ASP   CB   C  N N 112 
ASP   CG   C  N N 113 
ASP   OD1  O  N N 114 
ASP   OD2  O  N N 115 
ASP   OXT  O  N N 116 
ASP   H    H  N N 117 
ASP   H2   H  N N 118 
ASP   HA   H  N N 119 
ASP   HB2  H  N N 120 
ASP   HB3  H  N N 121 
ASP   HD2  H  N N 122 
ASP   HXT  H  N N 123 
CA    CA   CA N N 124 
CYS   N    N  N N 125 
CYS   CA   C  N R 126 
CYS   C    C  N N 127 
CYS   O    O  N N 128 
CYS   CB   C  N N 129 
CYS   SG   S  N N 130 
CYS   OXT  O  N N 131 
CYS   H    H  N N 132 
CYS   H2   H  N N 133 
CYS   HA   H  N N 134 
CYS   HB2  H  N N 135 
CYS   HB3  H  N N 136 
CYS   HG   H  N N 137 
CYS   HXT  H  N N 138 
GLN   N    N  N N 139 
GLN   CA   C  N S 140 
GLN   C    C  N N 141 
GLN   O    O  N N 142 
GLN   CB   C  N N 143 
GLN   CG   C  N N 144 
GLN   CD   C  N N 145 
GLN   OE1  O  N N 146 
GLN   NE2  N  N N 147 
GLN   OXT  O  N N 148 
GLN   H    H  N N 149 
GLN   H2   H  N N 150 
GLN   HA   H  N N 151 
GLN   HB2  H  N N 152 
GLN   HB3  H  N N 153 
GLN   HG2  H  N N 154 
GLN   HG3  H  N N 155 
GLN   HE21 H  N N 156 
GLN   HE22 H  N N 157 
GLN   HXT  H  N N 158 
GLU   N    N  N N 159 
GLU   CA   C  N S 160 
GLU   C    C  N N 161 
GLU   O    O  N N 162 
GLU   CB   C  N N 163 
GLU   CG   C  N N 164 
GLU   CD   C  N N 165 
GLU   OE1  O  N N 166 
GLU   OE2  O  N N 167 
GLU   OXT  O  N N 168 
GLU   H    H  N N 169 
GLU   H2   H  N N 170 
GLU   HA   H  N N 171 
GLU   HB2  H  N N 172 
GLU   HB3  H  N N 173 
GLU   HG2  H  N N 174 
GLU   HG3  H  N N 175 
GLU   HE2  H  N N 176 
GLU   HXT  H  N N 177 
GLY   N    N  N N 178 
GLY   CA   C  N N 179 
GLY   C    C  N N 180 
GLY   O    O  N N 181 
GLY   OXT  O  N N 182 
GLY   H    H  N N 183 
GLY   H2   H  N N 184 
GLY   HA2  H  N N 185 
GLY   HA3  H  N N 186 
GLY   HXT  H  N N 187 
HIS   N    N  N N 188 
HIS   CA   C  N S 189 
HIS   C    C  N N 190 
HIS   O    O  N N 191 
HIS   CB   C  N N 192 
HIS   CG   C  Y N 193 
HIS   ND1  N  Y N 194 
HIS   CD2  C  Y N 195 
HIS   CE1  C  Y N 196 
HIS   NE2  N  Y N 197 
HIS   OXT  O  N N 198 
HIS   H    H  N N 199 
HIS   H2   H  N N 200 
HIS   HA   H  N N 201 
HIS   HB2  H  N N 202 
HIS   HB3  H  N N 203 
HIS   HD1  H  N N 204 
HIS   HD2  H  N N 205 
HIS   HE1  H  N N 206 
HIS   HE2  H  N N 207 
HIS   HXT  H  N N 208 
HOH   O    O  N N 209 
HOH   H1   H  N N 210 
HOH   H2   H  N N 211 
ILE   N    N  N N 212 
ILE   CA   C  N S 213 
ILE   C    C  N N 214 
ILE   O    O  N N 215 
ILE   CB   C  N S 216 
ILE   CG1  C  N N 217 
ILE   CG2  C  N N 218 
ILE   CD1  C  N N 219 
ILE   OXT  O  N N 220 
ILE   H    H  N N 221 
ILE   H2   H  N N 222 
ILE   HA   H  N N 223 
ILE   HB   H  N N 224 
ILE   HG12 H  N N 225 
ILE   HG13 H  N N 226 
ILE   HG21 H  N N 227 
ILE   HG22 H  N N 228 
ILE   HG23 H  N N 229 
ILE   HD11 H  N N 230 
ILE   HD12 H  N N 231 
ILE   HD13 H  N N 232 
ILE   HXT  H  N N 233 
LEU   N    N  N N 234 
LEU   CA   C  N S 235 
LEU   C    C  N N 236 
LEU   O    O  N N 237 
LEU   CB   C  N N 238 
LEU   CG   C  N N 239 
LEU   CD1  C  N N 240 
LEU   CD2  C  N N 241 
LEU   OXT  O  N N 242 
LEU   H    H  N N 243 
LEU   H2   H  N N 244 
LEU   HA   H  N N 245 
LEU   HB2  H  N N 246 
LEU   HB3  H  N N 247 
LEU   HG   H  N N 248 
LEU   HD11 H  N N 249 
LEU   HD12 H  N N 250 
LEU   HD13 H  N N 251 
LEU   HD21 H  N N 252 
LEU   HD22 H  N N 253 
LEU   HD23 H  N N 254 
LEU   HXT  H  N N 255 
LYS   N    N  N N 256 
LYS   CA   C  N S 257 
LYS   C    C  N N 258 
LYS   O    O  N N 259 
LYS   CB   C  N N 260 
LYS   CG   C  N N 261 
LYS   CD   C  N N 262 
LYS   CE   C  N N 263 
LYS   NZ   N  N N 264 
LYS   OXT  O  N N 265 
LYS   H    H  N N 266 
LYS   H2   H  N N 267 
LYS   HA   H  N N 268 
LYS   HB2  H  N N 269 
LYS   HB3  H  N N 270 
LYS   HG2  H  N N 271 
LYS   HG3  H  N N 272 
LYS   HD2  H  N N 273 
LYS   HD3  H  N N 274 
LYS   HE2  H  N N 275 
LYS   HE3  H  N N 276 
LYS   HZ1  H  N N 277 
LYS   HZ2  H  N N 278 
LYS   HZ3  H  N N 279 
LYS   HXT  H  N N 280 
MET   N    N  N N 281 
MET   CA   C  N S 282 
MET   C    C  N N 283 
MET   O    O  N N 284 
MET   CB   C  N N 285 
MET   CG   C  N N 286 
MET   SD   S  N N 287 
MET   CE   C  N N 288 
MET   OXT  O  N N 289 
MET   H    H  N N 290 
MET   H2   H  N N 291 
MET   HA   H  N N 292 
MET   HB2  H  N N 293 
MET   HB3  H  N N 294 
MET   HG2  H  N N 295 
MET   HG3  H  N N 296 
MET   HE1  H  N N 297 
MET   HE2  H  N N 298 
MET   HE3  H  N N 299 
MET   HXT  H  N N 300 
PHE   N    N  N N 301 
PHE   CA   C  N S 302 
PHE   C    C  N N 303 
PHE   O    O  N N 304 
PHE   CB   C  N N 305 
PHE   CG   C  Y N 306 
PHE   CD1  C  Y N 307 
PHE   CD2  C  Y N 308 
PHE   CE1  C  Y N 309 
PHE   CE2  C  Y N 310 
PHE   CZ   C  Y N 311 
PHE   OXT  O  N N 312 
PHE   H    H  N N 313 
PHE   H2   H  N N 314 
PHE   HA   H  N N 315 
PHE   HB2  H  N N 316 
PHE   HB3  H  N N 317 
PHE   HD1  H  N N 318 
PHE   HD2  H  N N 319 
PHE   HE1  H  N N 320 
PHE   HE2  H  N N 321 
PHE   HZ   H  N N 322 
PHE   HXT  H  N N 323 
PRO   N    N  N N 324 
PRO   CA   C  N S 325 
PRO   C    C  N N 326 
PRO   O    O  N N 327 
PRO   CB   C  N N 328 
PRO   CG   C  N N 329 
PRO   CD   C  N N 330 
PRO   OXT  O  N N 331 
PRO   H    H  N N 332 
PRO   HA   H  N N 333 
PRO   HB2  H  N N 334 
PRO   HB3  H  N N 335 
PRO   HG2  H  N N 336 
PRO   HG3  H  N N 337 
PRO   HD2  H  N N 338 
PRO   HD3  H  N N 339 
PRO   HXT  H  N N 340 
SER   N    N  N N 341 
SER   CA   C  N S 342 
SER   C    C  N N 343 
SER   O    O  N N 344 
SER   CB   C  N N 345 
SER   OG   O  N N 346 
SER   OXT  O  N N 347 
SER   H    H  N N 348 
SER   H2   H  N N 349 
SER   HA   H  N N 350 
SER   HB2  H  N N 351 
SER   HB3  H  N N 352 
SER   HG   H  N N 353 
SER   HXT  H  N N 354 
THR   N    N  N N 355 
THR   CA   C  N S 356 
THR   C    C  N N 357 
THR   O    O  N N 358 
THR   CB   C  N R 359 
THR   OG1  O  N N 360 
THR   CG2  C  N N 361 
THR   OXT  O  N N 362 
THR   H    H  N N 363 
THR   H2   H  N N 364 
THR   HA   H  N N 365 
THR   HB   H  N N 366 
THR   HG1  H  N N 367 
THR   HG21 H  N N 368 
THR   HG22 H  N N 369 
THR   HG23 H  N N 370 
THR   HXT  H  N N 371 
TRP   N    N  N N 372 
TRP   CA   C  N S 373 
TRP   C    C  N N 374 
TRP   O    O  N N 375 
TRP   CB   C  N N 376 
TRP   CG   C  Y N 377 
TRP   CD1  C  Y N 378 
TRP   CD2  C  Y N 379 
TRP   NE1  N  Y N 380 
TRP   CE2  C  Y N 381 
TRP   CE3  C  Y N 382 
TRP   CZ2  C  Y N 383 
TRP   CZ3  C  Y N 384 
TRP   CH2  C  Y N 385 
TRP   OXT  O  N N 386 
TRP   H    H  N N 387 
TRP   H2   H  N N 388 
TRP   HA   H  N N 389 
TRP   HB2  H  N N 390 
TRP   HB3  H  N N 391 
TRP   HD1  H  N N 392 
TRP   HE1  H  N N 393 
TRP   HE3  H  N N 394 
TRP   HZ2  H  N N 395 
TRP   HZ3  H  N N 396 
TRP   HH2  H  N N 397 
TRP   HXT  H  N N 398 
TYR   N    N  N N 399 
TYR   CA   C  N S 400 
TYR   C    C  N N 401 
TYR   O    O  N N 402 
TYR   CB   C  N N 403 
TYR   CG   C  Y N 404 
TYR   CD1  C  Y N 405 
TYR   CD2  C  Y N 406 
TYR   CE1  C  Y N 407 
TYR   CE2  C  Y N 408 
TYR   CZ   C  Y N 409 
TYR   OH   O  N N 410 
TYR   OXT  O  N N 411 
TYR   H    H  N N 412 
TYR   H2   H  N N 413 
TYR   HA   H  N N 414 
TYR   HB2  H  N N 415 
TYR   HB3  H  N N 416 
TYR   HD1  H  N N 417 
TYR   HD2  H  N N 418 
TYR   HE1  H  N N 419 
TYR   HE2  H  N N 420 
TYR   HH   H  N N 421 
TYR   HXT  H  N N 422 
VAL   N    N  N N 423 
VAL   CA   C  N S 424 
VAL   C    C  N N 425 
VAL   O    O  N N 426 
VAL   CB   C  N N 427 
VAL   CG1  C  N N 428 
VAL   CG2  C  N N 429 
VAL   OXT  O  N N 430 
VAL   H    H  N N 431 
VAL   H2   H  N N 432 
VAL   HA   H  N N 433 
VAL   HB   H  N N 434 
VAL   HG11 H  N N 435 
VAL   HG12 H  N N 436 
VAL   HG13 H  N N 437 
VAL   HG21 H  N N 438 
VAL   HG22 H  N N 439 
VAL   HG23 H  N N 440 
VAL   HXT  H  N N 441 
# 
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 
A1H5Y OAP CAO  sing N N 1   
A1H5Y OAQ CAN  sing N N 2   
A1H5Y CAN CAO  sing N N 3   
A1H5Y CAN CAM  sing N N 4   
A1H5Y CAM O1   sing N N 5   
A1H5Y O1  C1   sing N N 6   
A1H5Y C6  C5   sing N N 7   
A1H5Y C6  O6   sing N N 8   
A1H5Y C1  O5   sing N N 9   
A1H5Y C1  C2   sing N N 10  
A1H5Y C5  O5   sing N N 11  
A1H5Y C5  C4   sing N N 12  
A1H5Y C2  C3   sing N N 13  
A1H5Y C2  N2   sing N N 14  
A1H5Y C3  C4   sing N N 15  
A1H5Y C3  O3   sing N N 16  
A1H5Y O4  C4   sing N N 17  
A1H5Y N2  CAR  sing Y N 18  
A1H5Y N2  NAU  sing Y N 19  
A1H5Y CAR CAS  doub Y N 20  
A1H5Y NAU NAT  doub Y N 21  
A1H5Y CAS NAT  sing Y N 22  
A1H5Y CAS CAV  sing N N 23  
A1H5Y CBA CAV  doub Y N 24  
A1H5Y CBA CAZ  sing Y N 25  
A1H5Y CAV CAW  sing Y N 26  
A1H5Y CAZ CAY  doub Y N 27  
A1H5Y CAW CAX  doub Y N 28  
A1H5Y CAY CAX  sing Y N 29  
A1H5Y C4  H41  sing N N 30  
A1H5Y C5  H5   sing N N 31  
A1H5Y C6  H62  sing N N 32  
A1H5Y C6  H61  sing N N 33  
A1H5Y C3  H31  sing N N 34  
A1H5Y C1  H1   sing N N 35  
A1H5Y C2  H2   sing N N 36  
A1H5Y CAM HAM  sing N N 37  
A1H5Y CAM H63  sing N N 38  
A1H5Y CAN HAN  sing N N 39  
A1H5Y CAO HAO  sing N N 40  
A1H5Y CAO H64  sing N N 41  
A1H5Y CAR HAR  sing N N 42  
A1H5Y CAW HAW  sing N N 43  
A1H5Y CAX HAX  sing N N 44  
A1H5Y CAY HAY  sing N N 45  
A1H5Y CAZ HAZ  sing N N 46  
A1H5Y CBA HBA  sing N N 47  
A1H5Y O3  H32  sing N N 48  
A1H5Y O4  H42  sing N N 49  
A1H5Y O6  H65  sing N N 50  
A1H5Y OAP HAP  sing N N 51  
A1H5Y OAQ HAQ  sing N N 52  
ALA   N   CA   sing N N 53  
ALA   N   H    sing N N 54  
ALA   N   H2   sing N N 55  
ALA   CA  C    sing N N 56  
ALA   CA  CB   sing N N 57  
ALA   CA  HA   sing N N 58  
ALA   C   O    doub N N 59  
ALA   C   OXT  sing N N 60  
ALA   CB  HB1  sing N N 61  
ALA   CB  HB2  sing N N 62  
ALA   CB  HB3  sing N N 63  
ALA   OXT HXT  sing N N 64  
ARG   N   CA   sing N N 65  
ARG   N   H    sing N N 66  
ARG   N   H2   sing N N 67  
ARG   CA  C    sing N N 68  
ARG   CA  CB   sing N N 69  
ARG   CA  HA   sing N N 70  
ARG   C   O    doub N N 71  
ARG   C   OXT  sing N N 72  
ARG   CB  CG   sing N N 73  
ARG   CB  HB2  sing N N 74  
ARG   CB  HB3  sing N N 75  
ARG   CG  CD   sing N N 76  
ARG   CG  HG2  sing N N 77  
ARG   CG  HG3  sing N N 78  
ARG   CD  NE   sing N N 79  
ARG   CD  HD2  sing N N 80  
ARG   CD  HD3  sing N N 81  
ARG   NE  CZ   sing N N 82  
ARG   NE  HE   sing N N 83  
ARG   CZ  NH1  sing N N 84  
ARG   CZ  NH2  doub N N 85  
ARG   NH1 HH11 sing N N 86  
ARG   NH1 HH12 sing N N 87  
ARG   NH2 HH21 sing N N 88  
ARG   NH2 HH22 sing N N 89  
ARG   OXT HXT  sing N N 90  
ASN   N   CA   sing N N 91  
ASN   N   H    sing N N 92  
ASN   N   H2   sing N N 93  
ASN   CA  C    sing N N 94  
ASN   CA  CB   sing N N 95  
ASN   CA  HA   sing N N 96  
ASN   C   O    doub N N 97  
ASN   C   OXT  sing N N 98  
ASN   CB  CG   sing N N 99  
ASN   CB  HB2  sing N N 100 
ASN   CB  HB3  sing N N 101 
ASN   CG  OD1  doub N N 102 
ASN   CG  ND2  sing N N 103 
ASN   ND2 HD21 sing N N 104 
ASN   ND2 HD22 sing N N 105 
ASN   OXT HXT  sing N N 106 
ASP   N   CA   sing N N 107 
ASP   N   H    sing N N 108 
ASP   N   H2   sing N N 109 
ASP   CA  C    sing N N 110 
ASP   CA  CB   sing N N 111 
ASP   CA  HA   sing N N 112 
ASP   C   O    doub N N 113 
ASP   C   OXT  sing N N 114 
ASP   CB  CG   sing N N 115 
ASP   CB  HB2  sing N N 116 
ASP   CB  HB3  sing N N 117 
ASP   CG  OD1  doub N N 118 
ASP   CG  OD2  sing N N 119 
ASP   OD2 HD2  sing N N 120 
ASP   OXT HXT  sing N N 121 
CYS   N   CA   sing N N 122 
CYS   N   H    sing N N 123 
CYS   N   H2   sing N N 124 
CYS   CA  C    sing N N 125 
CYS   CA  CB   sing N N 126 
CYS   CA  HA   sing N N 127 
CYS   C   O    doub N N 128 
CYS   C   OXT  sing N N 129 
CYS   CB  SG   sing N N 130 
CYS   CB  HB2  sing N N 131 
CYS   CB  HB3  sing N N 132 
CYS   SG  HG   sing N N 133 
CYS   OXT HXT  sing N N 134 
GLN   N   CA   sing N N 135 
GLN   N   H    sing N N 136 
GLN   N   H2   sing N N 137 
GLN   CA  C    sing N N 138 
GLN   CA  CB   sing N N 139 
GLN   CA  HA   sing N N 140 
GLN   C   O    doub N N 141 
GLN   C   OXT  sing N N 142 
GLN   CB  CG   sing N N 143 
GLN   CB  HB2  sing N N 144 
GLN   CB  HB3  sing N N 145 
GLN   CG  CD   sing N N 146 
GLN   CG  HG2  sing N N 147 
GLN   CG  HG3  sing N N 148 
GLN   CD  OE1  doub N N 149 
GLN   CD  NE2  sing N N 150 
GLN   NE2 HE21 sing N N 151 
GLN   NE2 HE22 sing N N 152 
GLN   OXT HXT  sing N N 153 
GLU   N   CA   sing N N 154 
GLU   N   H    sing N N 155 
GLU   N   H2   sing N N 156 
GLU   CA  C    sing N N 157 
GLU   CA  CB   sing N N 158 
GLU   CA  HA   sing N N 159 
GLU   C   O    doub N N 160 
GLU   C   OXT  sing N N 161 
GLU   CB  CG   sing N N 162 
GLU   CB  HB2  sing N N 163 
GLU   CB  HB3  sing N N 164 
GLU   CG  CD   sing N N 165 
GLU   CG  HG2  sing N N 166 
GLU   CG  HG3  sing N N 167 
GLU   CD  OE1  doub N N 168 
GLU   CD  OE2  sing N N 169 
GLU   OE2 HE2  sing N N 170 
GLU   OXT HXT  sing N N 171 
GLY   N   CA   sing N N 172 
GLY   N   H    sing N N 173 
GLY   N   H2   sing N N 174 
GLY   CA  C    sing N N 175 
GLY   CA  HA2  sing N N 176 
GLY   CA  HA3  sing N N 177 
GLY   C   O    doub N N 178 
GLY   C   OXT  sing N N 179 
GLY   OXT HXT  sing N N 180 
HIS   N   CA   sing N N 181 
HIS   N   H    sing N N 182 
HIS   N   H2   sing N N 183 
HIS   CA  C    sing N N 184 
HIS   CA  CB   sing N N 185 
HIS   CA  HA   sing N N 186 
HIS   C   O    doub N N 187 
HIS   C   OXT  sing N N 188 
HIS   CB  CG   sing N N 189 
HIS   CB  HB2  sing N N 190 
HIS   CB  HB3  sing N N 191 
HIS   CG  ND1  sing Y N 192 
HIS   CG  CD2  doub Y N 193 
HIS   ND1 CE1  doub Y N 194 
HIS   ND1 HD1  sing N N 195 
HIS   CD2 NE2  sing Y N 196 
HIS   CD2 HD2  sing N N 197 
HIS   CE1 NE2  sing Y N 198 
HIS   CE1 HE1  sing N N 199 
HIS   NE2 HE2  sing N N 200 
HIS   OXT HXT  sing N N 201 
HOH   O   H1   sing N N 202 
HOH   O   H2   sing N N 203 
ILE   N   CA   sing N N 204 
ILE   N   H    sing N N 205 
ILE   N   H2   sing N N 206 
ILE   CA  C    sing N N 207 
ILE   CA  CB   sing N N 208 
ILE   CA  HA   sing N N 209 
ILE   C   O    doub N N 210 
ILE   C   OXT  sing N N 211 
ILE   CB  CG1  sing N N 212 
ILE   CB  CG2  sing N N 213 
ILE   CB  HB   sing N N 214 
ILE   CG1 CD1  sing N N 215 
ILE   CG1 HG12 sing N N 216 
ILE   CG1 HG13 sing N N 217 
ILE   CG2 HG21 sing N N 218 
ILE   CG2 HG22 sing N N 219 
ILE   CG2 HG23 sing N N 220 
ILE   CD1 HD11 sing N N 221 
ILE   CD1 HD12 sing N N 222 
ILE   CD1 HD13 sing N N 223 
ILE   OXT HXT  sing N N 224 
LEU   N   CA   sing N N 225 
LEU   N   H    sing N N 226 
LEU   N   H2   sing N N 227 
LEU   CA  C    sing N N 228 
LEU   CA  CB   sing N N 229 
LEU   CA  HA   sing N N 230 
LEU   C   O    doub N N 231 
LEU   C   OXT  sing N N 232 
LEU   CB  CG   sing N N 233 
LEU   CB  HB2  sing N N 234 
LEU   CB  HB3  sing N N 235 
LEU   CG  CD1  sing N N 236 
LEU   CG  CD2  sing N N 237 
LEU   CG  HG   sing N N 238 
LEU   CD1 HD11 sing N N 239 
LEU   CD1 HD12 sing N N 240 
LEU   CD1 HD13 sing N N 241 
LEU   CD2 HD21 sing N N 242 
LEU   CD2 HD22 sing N N 243 
LEU   CD2 HD23 sing N N 244 
LEU   OXT HXT  sing N N 245 
LYS   N   CA   sing N N 246 
LYS   N   H    sing N N 247 
LYS   N   H2   sing N N 248 
LYS   CA  C    sing N N 249 
LYS   CA  CB   sing N N 250 
LYS   CA  HA   sing N N 251 
LYS   C   O    doub N N 252 
LYS   C   OXT  sing N N 253 
LYS   CB  CG   sing N N 254 
LYS   CB  HB2  sing N N 255 
LYS   CB  HB3  sing N N 256 
LYS   CG  CD   sing N N 257 
LYS   CG  HG2  sing N N 258 
LYS   CG  HG3  sing N N 259 
LYS   CD  CE   sing N N 260 
LYS   CD  HD2  sing N N 261 
LYS   CD  HD3  sing N N 262 
LYS   CE  NZ   sing N N 263 
LYS   CE  HE2  sing N N 264 
LYS   CE  HE3  sing N N 265 
LYS   NZ  HZ1  sing N N 266 
LYS   NZ  HZ2  sing N N 267 
LYS   NZ  HZ3  sing N N 268 
LYS   OXT HXT  sing N N 269 
MET   N   CA   sing N N 270 
MET   N   H    sing N N 271 
MET   N   H2   sing N N 272 
MET   CA  C    sing N N 273 
MET   CA  CB   sing N N 274 
MET   CA  HA   sing N N 275 
MET   C   O    doub N N 276 
MET   C   OXT  sing N N 277 
MET   CB  CG   sing N N 278 
MET   CB  HB2  sing N N 279 
MET   CB  HB3  sing N N 280 
MET   CG  SD   sing N N 281 
MET   CG  HG2  sing N N 282 
MET   CG  HG3  sing N N 283 
MET   SD  CE   sing N N 284 
MET   CE  HE1  sing N N 285 
MET   CE  HE2  sing N N 286 
MET   CE  HE3  sing N N 287 
MET   OXT HXT  sing N N 288 
PHE   N   CA   sing N N 289 
PHE   N   H    sing N N 290 
PHE   N   H2   sing N N 291 
PHE   CA  C    sing N N 292 
PHE   CA  CB   sing N N 293 
PHE   CA  HA   sing N N 294 
PHE   C   O    doub N N 295 
PHE   C   OXT  sing N N 296 
PHE   CB  CG   sing N N 297 
PHE   CB  HB2  sing N N 298 
PHE   CB  HB3  sing N N 299 
PHE   CG  CD1  doub Y N 300 
PHE   CG  CD2  sing Y N 301 
PHE   CD1 CE1  sing Y N 302 
PHE   CD1 HD1  sing N N 303 
PHE   CD2 CE2  doub Y N 304 
PHE   CD2 HD2  sing N N 305 
PHE   CE1 CZ   doub Y N 306 
PHE   CE1 HE1  sing N N 307 
PHE   CE2 CZ   sing Y N 308 
PHE   CE2 HE2  sing N N 309 
PHE   CZ  HZ   sing N N 310 
PHE   OXT HXT  sing N N 311 
PRO   N   CA   sing N N 312 
PRO   N   CD   sing N N 313 
PRO   N   H    sing N N 314 
PRO   CA  C    sing N N 315 
PRO   CA  CB   sing N N 316 
PRO   CA  HA   sing N N 317 
PRO   C   O    doub N N 318 
PRO   C   OXT  sing N N 319 
PRO   CB  CG   sing N N 320 
PRO   CB  HB2  sing N N 321 
PRO   CB  HB3  sing N N 322 
PRO   CG  CD   sing N N 323 
PRO   CG  HG2  sing N N 324 
PRO   CG  HG3  sing N N 325 
PRO   CD  HD2  sing N N 326 
PRO   CD  HD3  sing N N 327 
PRO   OXT HXT  sing N N 328 
SER   N   CA   sing N N 329 
SER   N   H    sing N N 330 
SER   N   H2   sing N N 331 
SER   CA  C    sing N N 332 
SER   CA  CB   sing N N 333 
SER   CA  HA   sing N N 334 
SER   C   O    doub N N 335 
SER   C   OXT  sing N N 336 
SER   CB  OG   sing N N 337 
SER   CB  HB2  sing N N 338 
SER   CB  HB3  sing N N 339 
SER   OG  HG   sing N N 340 
SER   OXT HXT  sing N N 341 
THR   N   CA   sing N N 342 
THR   N   H    sing N N 343 
THR   N   H2   sing N N 344 
THR   CA  C    sing N N 345 
THR   CA  CB   sing N N 346 
THR   CA  HA   sing N N 347 
THR   C   O    doub N N 348 
THR   C   OXT  sing N N 349 
THR   CB  OG1  sing N N 350 
THR   CB  CG2  sing N N 351 
THR   CB  HB   sing N N 352 
THR   OG1 HG1  sing N N 353 
THR   CG2 HG21 sing N N 354 
THR   CG2 HG22 sing N N 355 
THR   CG2 HG23 sing N N 356 
THR   OXT HXT  sing N N 357 
TRP   N   CA   sing N N 358 
TRP   N   H    sing N N 359 
TRP   N   H2   sing N N 360 
TRP   CA  C    sing N N 361 
TRP   CA  CB   sing N N 362 
TRP   CA  HA   sing N N 363 
TRP   C   O    doub N N 364 
TRP   C   OXT  sing N N 365 
TRP   CB  CG   sing N N 366 
TRP   CB  HB2  sing N N 367 
TRP   CB  HB3  sing N N 368 
TRP   CG  CD1  doub Y N 369 
TRP   CG  CD2  sing Y N 370 
TRP   CD1 NE1  sing Y N 371 
TRP   CD1 HD1  sing N N 372 
TRP   CD2 CE2  doub Y N 373 
TRP   CD2 CE3  sing Y N 374 
TRP   NE1 CE2  sing Y N 375 
TRP   NE1 HE1  sing N N 376 
TRP   CE2 CZ2  sing Y N 377 
TRP   CE3 CZ3  doub Y N 378 
TRP   CE3 HE3  sing N N 379 
TRP   CZ2 CH2  doub Y N 380 
TRP   CZ2 HZ2  sing N N 381 
TRP   CZ3 CH2  sing Y N 382 
TRP   CZ3 HZ3  sing N N 383 
TRP   CH2 HH2  sing N N 384 
TRP   OXT HXT  sing N N 385 
TYR   N   CA   sing N N 386 
TYR   N   H    sing N N 387 
TYR   N   H2   sing N N 388 
TYR   CA  C    sing N N 389 
TYR   CA  CB   sing N N 390 
TYR   CA  HA   sing N N 391 
TYR   C   O    doub N N 392 
TYR   C   OXT  sing N N 393 
TYR   CB  CG   sing N N 394 
TYR   CB  HB2  sing N N 395 
TYR   CB  HB3  sing N N 396 
TYR   CG  CD1  doub Y N 397 
TYR   CG  CD2  sing Y N 398 
TYR   CD1 CE1  sing Y N 399 
TYR   CD1 HD1  sing N N 400 
TYR   CD2 CE2  doub Y N 401 
TYR   CD2 HD2  sing N N 402 
TYR   CE1 CZ   doub Y N 403 
TYR   CE1 HE1  sing N N 404 
TYR   CE2 CZ   sing Y N 405 
TYR   CE2 HE2  sing N N 406 
TYR   CZ  OH   sing N N 407 
TYR   OH  HH   sing N N 408 
TYR   OXT HXT  sing N N 409 
VAL   N   CA   sing N N 410 
VAL   N   H    sing N N 411 
VAL   N   H2   sing N N 412 
VAL   CA  C    sing N N 413 
VAL   CA  CB   sing N N 414 
VAL   CA  HA   sing N N 415 
VAL   C   O    doub N N 416 
VAL   C   OXT  sing N N 417 
VAL   CB  CG1  sing N N 418 
VAL   CB  CG2  sing N N 419 
VAL   CB  HB   sing N N 420 
VAL   CG1 HG11 sing N N 421 
VAL   CG1 HG12 sing N N 422 
VAL   CG1 HG13 sing N N 423 
VAL   CG2 HG21 sing N N 424 
VAL   CG2 HG22 sing N N 425 
VAL   CG2 HG23 sing N N 426 
VAL   OXT HXT  sing N N 427 
# 
_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                    9EMR 
_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]   0.009628 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000233 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.016704 
_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]   0.013297 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
_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   ? -39.892 18.159  -7.362 1.00 49.57  ? 253 CYS   A N    1 
ATOM   2    C  CA   . CYS   A 1 8   ? -39.920 18.023  -5.902 1.00 48.97  ? 253 CYS   A CA   1 
ATOM   3    C  C    . CYS   A 1 8   ? -38.951 16.959  -5.403 1.00 40.62  ? 253 CYS   A C    1 
ATOM   4    O  O    . CYS   A 1 8   ? -38.971 15.823  -5.883 1.00 36.69  ? 253 CYS   A O    1 
ATOM   5    C  CB   . CYS   A 1 8   ? -41.334 17.668  -5.414 1.00 57.53  ? 253 CYS   A CB   1 
ATOM   6    S  SG   . CYS   A 1 8   ? -41.543 17.733  -3.604 1.00 64.72  ? 253 CYS   A SG   1 
ATOM   7    H  HA   . CYS   A 1 8   ? -39.656 18.877  -5.526 1.00 58.79  ? 253 CYS   A HA   1 
ATOM   8    H  HB2  . CYS   A 1 8   ? -41.963 18.295  -5.805 1.00 69.06  ? 253 CYS   A HB2  1 
ATOM   9    H  HB3  . CYS   A 1 8   ? -41.543 16.766  -5.702 1.00 69.06  ? 253 CYS   A HB3  1 
ATOM   10   N  N    . HIS   A 1 9   ? -38.124 17.335  -4.431 1.00 36.04  ? 254 HIS   A N    1 
ATOM   11   C  CA   . HIS   A 1 9   ? -37.247 16.410  -3.722 1.00 29.69  ? 254 HIS   A CA   1 
ATOM   12   C  C    . HIS   A 1 9   ? -37.268 16.751  -2.233 1.00 22.64  ? 254 HIS   A C    1 
ATOM   13   O  O    . HIS   A 1 9   ? -37.528 17.898  -1.861 1.00 21.56  ? 254 HIS   A O    1 
ATOM   14   C  CB   . HIS   A 1 9   ? -35.814 16.472  -4.277 1.00 30.78  ? 254 HIS   A CB   1 
ATOM   15   C  CG   . HIS   A 1 9   ? -35.296 17.857  -4.470 1.00 33.00  ? 254 HIS   A CG   1 
ATOM   16   N  ND1  . HIS   A 1 9   ? -34.272 18.383  -3.713 1.00 32.28  ? 254 HIS   A ND1  1 
ATOM   17   C  CD2  . HIS   A 1 9   ? -35.662 18.830  -5.337 1.00 33.30  ? 254 HIS   A CD2  1 
ATOM   18   C  CE1  . HIS   A 1 9   ? -34.031 19.624  -4.097 1.00 32.69  ? 254 HIS   A CE1  1 
ATOM   19   N  NE2  . HIS   A 1 9   ? -34.850 19.917  -5.092 1.00 33.26  ? 254 HIS   A NE2  1 
ATOM   20   H  H    . HIS   A 1 9   ? -38.053 18.147  -4.158 1.00 43.28  ? 254 HIS   A H    1 
ATOM   21   H  HA   . HIS   A 1 9   ? -37.563 15.498  -3.817 1.00 35.66  ? 254 HIS   A HA   1 
ATOM   22   H  HB2  . HIS   A 1 9   ? -35.220 16.020  -3.658 1.00 36.96  ? 254 HIS   A HB2  1 
ATOM   23   H  HB3  . HIS   A 1 9   ? -35.795 16.027  -5.139 1.00 36.96  ? 254 HIS   A HB3  1 
ATOM   24   H  HD1  . HIS   A 1 9   ? -33.854 17.968  -3.087 1.00 38.77  ? 254 HIS   A HD1  1 
ATOM   25   H  HD2  . HIS   A 1 9   ? -36.334 18.776  -5.978 1.00 39.99  ? 254 HIS   A HD2  1 
ATOM   26   H  HE1  . HIS   A 1 9   ? -33.394 20.193  -3.730 1.00 39.26  ? 254 HIS   A HE1  1 
ATOM   27   N  N    . PRO   A 1 10  ? -37.013 15.786  -1.372 1.00 20.55  ? 255 PRO   A N    1 
ATOM   28   C  CA   . PRO   A 1 10  ? -37.265 16.002  0.056  1.00 20.97  ? 255 PRO   A CA   1 
ATOM   29   C  C    . PRO   A 1 10  ? -36.254 16.888  0.784  1.00 19.59  ? 255 PRO   A C    1 
ATOM   30   O  O    . PRO   A 1 10  ? -36.620 17.512  1.790  1.00 19.14  ? 255 PRO   A O    1 
ATOM   31   C  CB   . PRO   A 1 10  ? -37.264 14.582  0.636  1.00 21.87  ? 255 PRO   A CB   1 
ATOM   32   C  CG   . PRO   A 1 10  ? -36.419 13.784  -0.306 1.00 23.87  ? 255 PRO   A CG   1 
ATOM   33   C  CD   . PRO   A 1 10  ? -36.647 14.394  -1.682 1.00 22.69  ? 255 PRO   A CD   1 
ATOM   34   H  HA   . PRO   A 1 10  ? -38.138 16.414  0.145  1.00 25.20  ? 255 PRO   A HA   1 
ATOM   35   H  HB2  . PRO   A 1 10  ? -36.881 14.589  1.527  1.00 26.27  ? 255 PRO   A HB2  1 
ATOM   36   H  HB3  . PRO   A 1 10  ? -38.171 14.238  0.667  1.00 26.27  ? 255 PRO   A HB3  1 
ATOM   37   H  HG2  . PRO   A 1 10  ? -35.486 13.854  -0.050 1.00 28.68  ? 255 PRO   A HG2  1 
ATOM   38   H  HG3  . PRO   A 1 10  ? -36.699 12.855  -0.291 1.00 28.68  ? 255 PRO   A HG3  1 
ATOM   39   H  HD2  . PRO   A 1 10  ? -35.837 14.359  -2.215 1.00 27.25  ? 255 PRO   A HD2  1 
ATOM   40   H  HD3  . PRO   A 1 10  ? -37.369 13.941  -2.146 1.00 27.25  ? 255 PRO   A HD3  1 
ATOM   41   N  N    . CYS   A 1 11  ? -34.999 16.947  0.312  1.00 19.45  ? 256 CYS   A N    1 
ATOM   42   C  CA   . CYS   A 1 11  ? -33.949 17.685  1.012  1.00 21.11  ? 256 CYS   A CA   1 
ATOM   43   C  C    . CYS   A 1 11  ? -33.243 18.644  0.060  1.00 22.83  ? 256 CYS   A C    1 
ATOM   44   O  O    . CYS   A 1 11  ? -33.168 18.382  -1.159 1.00 24.71  ? 256 CYS   A O    1 
ATOM   45   C  CB   . CYS   A 1 11  ? -32.917 16.720  1.598  1.00 21.81  ? 256 CYS   A CB   1 
ATOM   46   S  SG   . CYS   A 1 11  ? -33.572 15.637  2.877  1.00 24.33  ? 256 CYS   A SG   1 
ATOM   47   H  H    . CYS   A 1 11  ? -34.738 16.565  -0.412 1.00 23.37  ? 256 CYS   A H    1 
ATOM   48   H  HA   . CYS   A 1 11  ? -34.343 18.208  1.727  1.00 25.36  ? 256 CYS   A HA   1 
ATOM   49   H  HB2  . CYS   A 1 11  ? -32.575 16.160  0.884  1.00 26.20  ? 256 CYS   A HB2  1 
ATOM   50   H  HB3  . CYS   A 1 11  ? -32.196 17.236  1.990  1.00 26.20  ? 256 CYS   A HB3  1 
ATOM   51   N  N    . PRO   A 1 12  ? -32.707 19.763  0.564  1.00 21.03  ? 257 PRO   A N    1 
ATOM   52   C  CA   . PRO   A 1 12  ? -31.915 20.646  -0.304 1.00 21.86  ? 257 PRO   A CA   1 
ATOM   53   C  C    . PRO   A 1 12  ? -30.666 19.930  -0.812 1.00 19.11  ? 257 PRO   A C    1 
ATOM   54   O  O    . PRO   A 1 12  ? -30.194 18.972  -0.209 1.00 16.48  ? 257 PRO   A O    1 
ATOM   55   C  CB   . PRO   A 1 12  ? -31.532 21.823  0.601  1.00 25.32  ? 257 PRO   A CB   1 
ATOM   56   C  CG   . PRO   A 1 12  ? -32.379 21.695  1.838  1.00 24.89  ? 257 PRO   A CG   1 
ATOM   57   C  CD   . PRO   A 1 12  ? -32.751 20.230  1.964  1.00 20.14  ? 257 PRO   A CD   1 
ATOM   58   H  HA   . PRO   A 1 12  ? -32.454 20.968  -1.043 1.00 26.26  ? 257 PRO   A HA   1 
ATOM   59   H  HB2  . PRO   A 1 12  ? -30.590 21.769  0.823  1.00 30.41  ? 257 PRO   A HB2  1 
ATOM   60   H  HB3  . PRO   A 1 12  ? -31.718 22.658  0.144  1.00 30.41  ? 257 PRO   A HB3  1 
ATOM   61   H  HG2  . PRO   A 1 12  ? -31.868 21.984  2.610  1.00 29.89  ? 257 PRO   A HG2  1 
ATOM   62   H  HG3  . PRO   A 1 12  ? -33.175 22.242  1.743  1.00 29.89  ? 257 PRO   A HG3  1 
ATOM   63   H  HD2  . PRO   A 1 12  ? -32.107 19.754  2.510  1.00 24.19  ? 257 PRO   A HD2  1 
ATOM   64   H  HD3  . PRO   A 1 12  ? -33.641 20.129  2.336  1.00 24.19  ? 257 PRO   A HD3  1 
ATOM   65   N  N    . TRP   A 1 13  ? -30.156 20.385  -1.963 1.00 18.89  ? 258 TRP   A N    1 
ATOM   66   C  CA   . TRP   A 1 13  ? -28.909 19.825  -2.478 1.00 18.41  ? 258 TRP   A CA   1 
ATOM   67   C  C    . TRP   A 1 13  ? -27.842 19.825  -1.378 1.00 19.94  ? 258 TRP   A C    1 
ATOM   68   O  O    . TRP   A 1 13  ? -27.709 20.794  -0.625 1.00 18.05  ? 258 TRP   A O    1 
ATOM   69   C  CB   . TRP   A 1 13  ? -28.401 20.638  -3.659 1.00 18.11  ? 258 TRP   A CB   1 
ATOM   70   C  CG   . TRP   A 1 13  ? -29.068 20.305  -4.972 1.00 18.04  ? 258 TRP   A CG   1 
ATOM   71   C  CD1  . TRP   A 1 13  ? -30.310 20.707  -5.383 1.00 19.66  ? 258 TRP   A CD1  1 
ATOM   72   C  CD2  . TRP   A 1 13  ? -28.522 19.527  -6.031 1.00 17.62  ? 258 TRP   A CD2  1 
ATOM   73   N  NE1  . TRP   A 1 13  ? -30.571 20.206  -6.648 1.00 19.82  ? 258 TRP   A NE1  1 
ATOM   74   C  CE2  . TRP   A 1 13  ? -29.484 19.475  -7.056 1.00 18.83  ? 258 TRP   A CE2  1 
ATOM   75   C  CE3  . TRP   A 1 13  ? -27.312 18.853  -6.214 1.00 16.98  ? 258 TRP   A CE3  1 
ATOM   76   C  CZ2  . TRP   A 1 13  ? -29.265 18.788  -8.246 1.00 19.07  ? 258 TRP   A CZ2  1 
ATOM   77   C  CZ3  . TRP   A 1 13  ? -27.103 18.180  -7.391 1.00 17.05  ? 258 TRP   A CZ3  1 
ATOM   78   C  CH2  . TRP   A 1 13  ? -28.079 18.147  -8.386 1.00 17.74  ? 258 TRP   A CH2  1 
ATOM   79   H  H    . TRP   A 1 13  ? -30.505 21.002  -2.450 1.00 22.70  ? 258 TRP   A H    1 
ATOM   80   H  HA   . TRP   A 1 13  ? -29.071 18.917  -2.779 1.00 22.12  ? 258 TRP   A HA   1 
ATOM   81   H  HB2  . TRP   A 1 13  ? -28.558 21.578  -3.479 1.00 21.77  ? 258 TRP   A HB2  1 
ATOM   82   H  HB3  . TRP   A 1 13  ? -27.450 20.474  -3.763 1.00 21.77  ? 258 TRP   A HB3  1 
ATOM   83   H  HD1  . TRP   A 1 13  ? -30.892 21.238  -4.888 1.00 23.62  ? 258 TRP   A HD1  1 
ATOM   84   H  HE1  . TRP   A 1 13  ? -31.292 20.331  -7.101 1.00 23.82  ? 258 TRP   A HE1  1 
ATOM   85   H  HE3  . TRP   A 1 13  ? -26.661 18.860  -5.550 1.00 20.30  ? 258 TRP   A HE3  1 
ATOM   86   H  HZ2  . TRP   A 1 13  ? -29.906 18.770  -8.918 1.00 22.91  ? 258 TRP   A HZ2  1 
ATOM   87   H  HZ3  . TRP   A 1 13  ? -26.296 17.738  -7.527 1.00 20.32  ? 258 TRP   A HZ3  1 
ATOM   88   H  HH2  . TRP   A 1 13  ? -27.913 17.671  -9.168 1.00 21.15  ? 258 TRP   A HH2  1 
ATOM   89   N  N    . GLU   A 1 14  ? -27.092 18.729  -1.301 1.00 23.51  ? 259 GLU   A N    1 
ATOM   90   C  CA   . GLU   A 1 14  ? -25.974 18.478  -0.398 1.00 25.51  ? 259 GLU   A CA   1 
ATOM   91   C  C    . GLU   A 1 14  ? -26.451 17.999  0.968  1.00 20.36  ? 259 GLU   A C    1 
ATOM   92   O  O    . GLU   A 1 14  ? -25.612 17.647  1.802  1.00 21.33  ? 259 GLU   A O    1 
ATOM   93   C  CB   . GLU   A 1 14  ? -25.058 19.698  -0.200 1.00 34.43  ? 259 GLU   A CB   1 
ATOM   94   C  CG   . GLU   A 1 14  ? -24.505 20.286  -1.471 1.00 44.25  ? 259 GLU   A CG   1 
ATOM   95   C  CD   . GLU   A 1 14  ? -23.804 21.613  -1.245 1.00 52.45  ? 259 GLU   A CD   1 
ATOM   96   O  OE1  . GLU   A 1 14  ? -23.874 22.491  -2.139 1.00 56.14  ? 259 GLU   A OE1  1 
ATOM   97   O  OE2  . GLU   A 1 14  ? -23.199 21.785  -0.169 1.00 54.60  ? 259 GLU   A OE2  1 
ATOM   98   H  H    . GLU   A 1 14  ? -27.220 18.057  -1.828 1.00 28.24  ? 259 GLU   A H    1 
ATOM   99   H  HA   . GLU   A 1 14  ? -25.430 17.777  -0.789 1.00 30.63  ? 259 GLU   A HA   1 
ATOM   100  H  HB2  . GLU   A 1 14  ? -25.564 20.394  0.247  1.00 41.34  ? 259 GLU   A HB2  1 
ATOM   101  H  HB3  . GLU   A 1 14  ? -24.304 19.431  0.350  1.00 41.34  ? 259 GLU   A HB3  1 
ATOM   102  H  HG2  . GLU   A 1 14  ? -23.861 19.668  -1.852 1.00 53.13  ? 259 GLU   A HG2  1 
ATOM   103  H  HG3  . GLU   A 1 14  ? -25.233 20.433  -2.094 1.00 53.13  ? 259 GLU   A HG3  1 
ATOM   104  N  N    . TRP   A 1 15  ? -27.754 17.962  1.237  1.00 16.40  ? 260 TRP   A N    1 
ATOM   105  C  CA   . TRP   A 1 15  ? -28.255 17.427  2.487  1.00 16.40  ? 260 TRP   A CA   1 
ATOM   106  C  C    . TRP   A 1 15  ? -28.623 15.950  2.303  1.00 17.54  ? 260 TRP   A C    1 
ATOM   107  O  O    . TRP   A 1 15  ? -29.021 15.511  1.215  1.00 20.90  ? 260 TRP   A O    1 
ATOM   108  C  CB   . TRP   A 1 15  ? -29.486 18.198  2.974  1.00 15.28  ? 260 TRP   A CB   1 
ATOM   109  C  CG   . TRP   A 1 15  ? -29.169 19.599  3.402  1.00 15.88  ? 260 TRP   A CG   1 
ATOM   110  C  CD1  . TRP   A 1 15  ? -28.631 20.599  2.617  1.00 17.86  ? 260 TRP   A CD1  1 
ATOM   111  C  CD2  . TRP   A 1 15  ? -29.331 20.160  4.699  1.00 15.09  ? 260 TRP   A CD2  1 
ATOM   112  N  NE1  . TRP   A 1 15  ? -28.473 21.752  3.354  1.00 17.76  ? 260 TRP   A NE1  1 
ATOM   113  C  CE2  . TRP   A 1 15  ? -28.894 21.502  4.637  1.00 17.30  ? 260 TRP   A CE2  1 
ATOM   114  C  CE3  . TRP   A 1 15  ? -29.803 19.666  5.914  1.00 15.15  ? 260 TRP   A CE3  1 
ATOM   115  C  CZ2  . TRP   A 1 15  ? -28.901 22.339  5.751  1.00 17.96  ? 260 TRP   A CZ2  1 
ATOM   116  C  CZ3  . TRP   A 1 15  ? -29.826 20.506  7.007  1.00 14.98  ? 260 TRP   A CZ3  1 
ATOM   117  C  CH2  . TRP   A 1 15  ? -29.383 21.823  6.929  1.00 15.74  ? 260 TRP   A CH2  1 
ATOM   118  H  H    . TRP   A 1 15  ? -28.367 18.244  0.704  1.00 19.71  ? 260 TRP   A H    1 
ATOM   119  H  HA   . TRP   A 1 15  ? -27.568 17.508  3.167  1.00 19.71  ? 260 TRP   A HA   1 
ATOM   120  H  HB2  . TRP   A 1 15  ? -30.133 18.245  2.253  1.00 18.37  ? 260 TRP   A HB2  1 
ATOM   121  H  HB3  . TRP   A 1 15  ? -29.868 17.733  3.734  1.00 18.37  ? 260 TRP   A HB3  1 
ATOM   122  H  HD1  . TRP   A 1 15  ? -28.407 20.507  1.719  1.00 21.46  ? 260 TRP   A HD1  1 
ATOM   123  H  HE1  . TRP   A 1 15  ? -28.164 22.499  3.061  1.00 21.33  ? 260 TRP   A HE1  1 
ATOM   124  H  HE3  . TRP   A 1 15  ? -30.097 18.787  5.986  1.00 18.21  ? 260 TRP   A HE3  1 
ATOM   125  H  HZ2  . TRP   A 1 15  ? -28.590 23.214  5.699  1.00 21.58  ? 260 TRP   A HZ2  1 
ATOM   126  H  HZ3  . TRP   A 1 15  ? -30.147 20.184  7.818  1.00 18.01  ? 260 TRP   A HZ3  1 
ATOM   127  H  HH2  . TRP   A 1 15  ? -29.415 22.362  7.686  1.00 18.92  ? 260 TRP   A HH2  1 
ATOM   128  N  N    . THR   A 1 16  ? -28.511 15.196  3.383  1.00 14.78  ? 261 THR   A N    1 
ATOM   129  C  CA   . THR   A 1 16  ? -28.721 13.752  3.362  1.00 14.34  ? 261 THR   A CA   1 
ATOM   130  C  C    . THR   A 1 16  ? -30.061 13.391  3.987  1.00 14.77  ? 261 THR   A C    1 
ATOM   131  O  O    . THR   A 1 16  ? -30.359 13.797  5.117  1.00 15.24  ? 261 THR   A O    1 
ATOM   132  C  CB   . THR   A 1 16  ? -27.577 13.049  4.099  1.00 17.12  ? 261 THR   A CB   1 
ATOM   133  O  OG1  . THR   A 1 16  ? -26.348 13.372  3.458  1.00 17.55  ? 261 THR   A OG1  1 
ATOM   134  C  CG2  . THR   A 1 16  ? -27.762 11.537  4.093  1.00 19.32  ? 261 THR   A CG2  1 
ATOM   135  H  H    . THR   A 1 16  ? -28.310 15.505  4.161  1.00 17.77  ? 261 THR   A H    1 
ATOM   136  H  HA   . THR   A 1 16  ? -28.750 13.444  2.443  1.00 17.24  ? 261 THR   A HA   1 
ATOM   137  H  HB   . THR   A 1 16  ? -27.562 13.342  5.024  1.00 20.57  ? 261 THR   A HB   1 
ATOM   138  H  HG1  . THR   A 1 16  ? -25.702 13.155  3.950  1.00 21.09  ? 261 THR   A HG1  1 
ATOM   139  H  HG21 . THR   A 1 16  ? -26.923 11.099  4.307  1.00 23.21  ? 261 THR   A HG21 1 
ATOM   140  H  HG22 . THR   A 1 16  ? -28.427 11.281  4.750  1.00 23.21  ? 261 THR   A HG22 1 
ATOM   141  H  HG23 . THR   A 1 16  ? -28.055 11.242  3.216  1.00 23.21  ? 261 THR   A HG23 1 
ATOM   142  N  N    . PHE   A 1 17  ? -30.876 12.655  3.235  1.00 14.61  ? 262 PHE   A N    1 
ATOM   143  C  CA   . PHE   A 1 17  ? -32.186 12.222  3.714  1.00 17.20  ? 262 PHE   A CA   1 
ATOM   144  C  C    . PHE   A 1 17  ? -32.096 10.959  4.576  1.00 17.14  ? 262 PHE   A C    1 
ATOM   145  O  O    . PHE   A 1 17  ? -31.518 9.949   4.155  1.00 17.24  ? 262 PHE   A O    1 
ATOM   146  C  CB   . PHE   A 1 17  ? -33.109 11.929  2.533  1.00 20.31  ? 262 PHE   A CB   1 
ATOM   147  C  CG   . PHE   A 1 17  ? -34.449 11.419  2.938  1.00 22.54  ? 262 PHE   A CG   1 
ATOM   148  C  CD1  . PHE   A 1 17  ? -34.671 10.048  3.104  1.00 24.80  ? 262 PHE   A CD1  1 
ATOM   149  C  CD2  . PHE   A 1 17  ? -35.491 12.289  3.186  1.00 20.27  ? 262 PHE   A CD2  1 
ATOM   150  C  CE1  . PHE   A 1 17  ? -35.914 9.571   3.492  1.00 25.23  ? 262 PHE   A CE1  1 
ATOM   151  C  CE2  . PHE   A 1 17  ? -36.743 11.818  3.550  1.00 19.39  ? 262 PHE   A CE2  1 
ATOM   152  C  CZ   . PHE   A 1 17  ? -36.957 10.464  3.710  1.00 23.01  ? 262 PHE   A CZ   1 
ATOM   153  H  H    . PHE   A 1 17  ? -30.692 12.391  2.437  1.00 17.56  ? 262 PHE   A H    1 
ATOM   154  H  HA   . PHE   A 1 17  ? -32.549 12.938  4.258  1.00 20.67  ? 262 PHE   A HA   1 
ATOM   155  H  HB2  . PHE   A 1 17  ? -33.243 12.748  2.030  1.00 24.40  ? 262 PHE   A HB2  1 
ATOM   156  H  HB3  . PHE   A 1 17  ? -32.693 11.258  1.969  1.00 24.40  ? 262 PHE   A HB3  1 
ATOM   157  H  HD1  . PHE   A 1 17  ? -33.976 9.449   2.952  1.00 29.78  ? 262 PHE   A HD1  1 
ATOM   158  H  HD2  . PHE   A 1 17  ? -35.352 13.205  3.108  1.00 24.35  ? 262 PHE   A HD2  1 
ATOM   159  H  HE1  . PHE   A 1 17  ? -36.050 8.658   3.607  1.00 30.30  ? 262 PHE   A HE1  1 
ATOM   160  H  HE2  . PHE   A 1 17  ? -37.441 12.416  3.687  1.00 23.29  ? 262 PHE   A HE2  1 
ATOM   161  H  HZ   . PHE   A 1 17  ? -37.796 10.150  3.962  1.00 27.64  ? 262 PHE   A HZ   1 
ATOM   162  N  N    . PHE   A 1 18  ? -32.708 11.005  5.756  1.00 17.17  ? 263 PHE   A N    1 
ATOM   163  C  CA   . PHE   A 1 18  ? -32.757 9.844   6.639  1.00 16.11  ? 263 PHE   A CA   1 
ATOM   164  C  C    . PHE   A 1 18  ? -34.052 9.905   7.436  1.00 14.38  ? 263 PHE   A C    1 
ATOM   165  O  O    . PHE   A 1 18  ? -34.264 10.833  8.223  1.00 13.52  ? 263 PHE   A O    1 
ATOM   166  C  CB   . PHE   A 1 18  ? -31.531 9.793   7.563  1.00 17.37  ? 263 PHE   A CB   1 
ATOM   167  C  CG   . PHE   A 1 18  ? -31.600 8.713   8.623  1.00 18.67  ? 263 PHE   A CG   1 
ATOM   168  C  CD1  . PHE   A 1 18  ? -31.312 7.402   8.300  1.00 21.41  ? 263 PHE   A CD1  1 
ATOM   169  C  CD2  . PHE   A 1 18  ? -31.970 9.012   9.909  1.00 17.90  ? 263 PHE   A CD2  1 
ATOM   170  C  CE1  . PHE   A 1 18  ? -31.390 6.390   9.267  1.00 23.61  ? 263 PHE   A CE1  1 
ATOM   171  C  CE2  . PHE   A 1 18  ? -32.073 8.003   10.886 1.00 17.89  ? 263 PHE   A CE2  1 
ATOM   172  C  CZ   . PHE   A 1 18  ? -31.772 6.713   10.564 1.00 20.78  ? 263 PHE   A CZ   1 
ATOM   173  H  H    . PHE   A 1 18  ? -33.104 11.701  6.069  1.00 20.63  ? 263 PHE   A H    1 
ATOM   174  H  HA   . PHE   A 1 18  ? -32.762 9.030   6.111  1.00 19.35  ? 263 PHE   A HA   1 
ATOM   175  H  HB2  . PHE   A 1 18  ? -30.742 9.626   7.024  1.00 20.88  ? 263 PHE   A HB2  1 
ATOM   176  H  HB3  . PHE   A 1 18  ? -31.448 10.646  8.017  1.00 20.88  ? 263 PHE   A HB3  1 
ATOM   177  H  HD1  . PHE   A 1 18  ? -31.064 7.187   7.430  1.00 25.72  ? 263 PHE   A HD1  1 
ATOM   178  H  HD2  . PHE   A 1 18  ? -32.156 9.893   10.139 1.00 21.50  ? 263 PHE   A HD2  1 
ATOM   179  H  HE1  . PHE   A 1 18  ? -31.187 5.510   9.043  1.00 28.36  ? 263 PHE   A HE1  1 
ATOM   180  H  HE2  . PHE   A 1 18  ? -32.345 8.217   11.749 1.00 21.50  ? 263 PHE   A HE2  1 
ATOM   181  H  HZ   . PHE   A 1 18  ? -31.823 6.048   11.212 1.00 24.97  ? 263 PHE   A HZ   1 
ATOM   182  N  N    . GLN   A 1 19  ? -34.933 8.929   7.207  1.00 14.61  ? 264 GLN   A N    1 
ATOM   183  C  CA   . GLN   A 1 19  ? -36.141 8.754   8.012  1.00 17.42  ? 264 GLN   A CA   1 
ATOM   184  C  C    . GLN   A 1 19  ? -36.881 10.076  8.213  1.00 18.72  ? 264 GLN   A C    1 
ATOM   185  O  O    . GLN   A 1 19  ? -37.200 10.485  9.331  1.00 21.01  ? 264 GLN   A O    1 
ATOM   186  C  CB   . GLN   A 1 19  ? -35.790 8.115   9.372  1.00 18.97  ? 264 GLN   A CB   1 
ATOM   187  C  CG   . GLN   A 1 19  ? -35.203 6.707   9.252  1.00 23.73  ? 264 GLN   A CG   1 
ATOM   188  C  CD   . GLN   A 1 19  ? -35.092 6.008   10.601 1.00 28.90  ? 264 GLN   A CD   1 
ATOM   189  O  OE1  . GLN   A 1 19  ? -35.262 6.638   11.666 1.00 32.51  ? 264 GLN   A OE1  1 
ATOM   190  N  NE2  . GLN   A 1 19  ? -34.805 4.717   10.574 1.00 29.00  ? 264 GLN   A NE2  1 
ATOM   191  H  H    . GLN   A 1 19  ? -34.849 8.345   6.581  1.00 17.56  ? 264 GLN   A H    1 
ATOM   192  H  HA   . GLN   A 1 19  ? -36.741 8.162   7.532  1.00 20.93  ? 264 GLN   A HA   1 
ATOM   193  H  HB2  . GLN   A 1 19  ? -35.134 8.673   9.820  1.00 22.80  ? 264 GLN   A HB2  1 
ATOM   194  H  HB3  . GLN   A 1 19  ? -36.596 8.056   9.908  1.00 22.80  ? 264 GLN   A HB3  1 
ATOM   195  H  HG2  . GLN   A 1 19  ? -35.777 6.172   8.681  1.00 28.50  ? 264 GLN   A HG2  1 
ATOM   196  H  HG3  . GLN   A 1 19  ? -34.314 6.765   8.868  1.00 28.50  ? 264 GLN   A HG3  1 
ATOM   197  H  HE21 . GLN   A 1 19  ? -34.692 4.317   9.821  1.00 34.83  ? 264 GLN   A HE21 1 
ATOM   198  H  HE22 . GLN   A 1 19  ? -34.731 4.277   11.309 1.00 34.83  ? 264 GLN   A HE22 1 
ATOM   199  N  N    . GLY   A 1 20  ? -37.166 10.754  7.106  1.00 17.95  ? 265 GLY   A N    1 
ATOM   200  C  CA   . GLY   A 1 20  ? -38.024 11.930  7.159  1.00 19.65  ? 265 GLY   A CA   1 
ATOM   201  C  C    . GLY   A 1 20  ? -37.348 13.237  7.548  1.00 19.26  ? 265 GLY   A C    1 
ATOM   202  O  O    . GLY   A 1 20  ? -38.021 14.267  7.610  1.00 19.08  ? 265 GLY   A O    1 
ATOM   203  H  H    . GLY   A 1 20  ? -36.878 10.553  6.321  1.00 21.57  ? 265 GLY   A H    1 
ATOM   204  H  HA2  . GLY   A 1 20  ? -38.421 12.058  6.283  1.00 23.61  ? 265 GLY   A HA2  1 
ATOM   205  H  HA3  . GLY   A 1 20  ? -38.729 11.764  7.804  1.00 23.61  ? 265 GLY   A HA3  1 
ATOM   206  N  N    . ASN   A 1 21  ? -36.039 13.245  7.762  1.00 17.62  ? 266 ASN   A N    1 
ATOM   207  C  CA   . ASN   A 1 21  ? -35.334 14.481  8.064  1.00 17.24  ? 266 ASN   A CA   1 
ATOM   208  C  C    . ASN   A 1 21  ? -34.153 14.607  7.116  1.00 15.35  ? 266 ASN   A C    1 
ATOM   209  O  O    . ASN   A 1 21  ? -33.788 13.637  6.408  1.00 15.65  ? 266 ASN   A O    1 
ATOM   210  C  CB   . ASN   A 1 21  ? -34.888 14.545  9.538  1.00 17.31  ? 266 ASN   A CB   1 
ATOM   211  C  CG   . ASN   A 1 21  ? -36.054 14.699  10.487 1.00 20.52  ? 266 ASN   A CG   1 
ATOM   212  O  OD1  . ASN   A 1 21  ? -36.693 15.755  10.521 1.00 20.95  ? 266 ASN   A OD1  1 
ATOM   213  N  ND2  . ASN   A 1 21  ? -36.365 13.648  11.237 1.00 22.54  ? 266 ASN   A ND2  1 
ATOM   214  H  H    . ASN   A 1 21  ? -35.540 12.546  7.736  1.00 21.17  ? 266 ASN   A H    1 
ATOM   215  H  HA   . ASN   A 1 21  ? -35.920 15.240  7.919  1.00 20.72  ? 266 ASN   A HA   1 
ATOM   216  H  HB2  . ASN   A 1 21  ? -34.421 13.725  9.765  1.00 20.80  ? 266 ASN   A HB2  1 
ATOM   217  H  HB3  . ASN   A 1 21  ? -34.298 15.306  9.659  1.00 20.80  ? 266 ASN   A HB3  1 
ATOM   218  H  HD21 . ASN   A 1 21  ? -37.022 13.693  11.790 1.00 27.07  ? 266 ASN   A HD21 1 
ATOM   219  H  HD22 . ASN   A 1 21  ? -35.909 12.921  11.169 1.00 27.07  ? 266 ASN   A HD22 1 
ATOM   220  N  N    . CYS   A 1 22  ? -33.581 15.823  7.098  1.00 14.33  ? 267 CYS   A N    1 
ATOM   221  C  CA   . CYS   A 1 22  ? -32.445 16.162  6.265  1.00 15.64  ? 267 CYS   A CA   1 
ATOM   222  C  C    . CYS   A 1 22  ? -31.271 16.539  7.159  1.00 14.31  ? 267 CYS   A C    1 
ATOM   223  O  O    . CYS   A 1 22  ? -31.441 17.270  8.132  1.00 13.94  ? 267 CYS   A O    1 
ATOM   224  C  CB   . CYS   A 1 22  ? -32.775 17.324  5.341  1.00 19.11  ? 267 CYS   A CB   1 
ATOM   225  S  SG   . CYS   A 1 22  ? -34.227 17.009  4.342  1.00 19.80  ? 267 CYS   A SG   1 
ATOM   226  H  H    . CYS   A 1 22  ? -33.854 16.480  7.581  1.00 17.23  ? 267 CYS   A H    1 
ATOM   227  H  HA   . CYS   A 1 22  ? -32.194 15.400  5.721  1.00 18.79  ? 267 CYS   A HA   1 
ATOM   228  H  HB2  . CYS   A 1 22  ? -32.942 18.116  5.874  1.00 22.97  ? 267 CYS   A HB2  1 
ATOM   229  H  HB3  . CYS   A 1 22  ? -32.026 17.477  4.744  1.00 22.97  ? 267 CYS   A HB3  1 
ATOM   230  N  N    . TYR   A 1 23  ? -30.083 16.071  6.798  1.00 12.59  ? 268 TYR   A N    1 
ATOM   231  C  CA   . TYR   A 1 23  ? -28.884 16.287  7.607  1.00 13.00  ? 268 TYR   A CA   1 
ATOM   232  C  C    . TYR   A 1 23  ? -27.751 16.866  6.766  1.00 15.06  ? 268 TYR   A C    1 
ATOM   233  O  O    . TYR   A 1 23  ? -27.604 16.536  5.583  1.00 16.06  ? 268 TYR   A O    1 
ATOM   234  C  CB   . TYR   A 1 23  ? -28.390 14.969  8.237  1.00 12.61  ? 268 TYR   A CB   1 
ATOM   235  C  CG   . TYR   A 1 23  ? -29.408 14.348  9.163  1.00 13.20  ? 268 TYR   A CG   1 
ATOM   236  C  CD1  . TYR   A 1 23  ? -30.455 13.572  8.657  1.00 13.30  ? 268 TYR   A CD1  1 
ATOM   237  C  CD2  . TYR   A 1 23  ? -29.316 14.529  10.550 1.00 12.60  ? 268 TYR   A CD2  1 
ATOM   238  C  CE1  . TYR   A 1 23  ? -31.374 12.975  9.496  1.00 13.19  ? 268 TYR   A CE1  1 
ATOM   239  C  CE2  . TYR   A 1 23  ? -30.255 13.939  11.414 1.00 12.00  ? 268 TYR   A CE2  1 
ATOM   240  C  CZ   . TYR   A 1 23  ? -31.271 13.181  10.878 1.00 13.79  ? 268 TYR   A CZ   1 
ATOM   241  O  OH   . TYR   A 1 23  ? -32.197 12.602  11.697 1.00 17.18  ? 268 TYR   A OH   1 
ATOM   242  H  H    . TYR   A 1 23  ? -29.942 15.620  6.079  1.00 14.97  ? 268 TYR   A H    1 
ATOM   243  H  HA   . TYR   A 1 23  ? -29.102 16.926  8.304  1.00 15.63  ? 268 TYR   A HA   1 
ATOM   244  H  HB2  . TYR   A 1 23  ? -28.199 14.333  7.530  1.00 15.16  ? 268 TYR   A HB2  1 
ATOM   245  H  HB3  . TYR   A 1 23  ? -27.586 15.146  8.750  1.00 15.16  ? 268 TYR   A HB3  1 
ATOM   246  H  HD1  . TYR   A 1 23  ? -30.535 13.457  7.738  1.00 15.99  ? 268 TYR   A HD1  1 
ATOM   247  H  HD2  . TYR   A 1 23  ? -28.626 15.044  10.903 1.00 15.15  ? 268 TYR   A HD2  1 
ATOM   248  H  HE1  . TYR   A 1 23  ? -32.053 12.443  9.149  1.00 15.86  ? 268 TYR   A HE1  1 
ATOM   249  H  HE2  . TYR   A 1 23  ? -30.190 14.060  12.334 1.00 14.43  ? 268 TYR   A HE2  1 
ATOM   250  H  HH   . TYR   A 1 23  ? -32.063 12.836  12.492 1.00 20.64  ? 268 TYR   A HH   1 
ATOM   251  N  N    . PHE   A 1 24  ? -26.950 17.739  7.392  1.00 14.63  ? 269 PHE   A N    1 
ATOM   252  C  CA   . PHE   A 1 24  ? -25.819 18.369  6.719  1.00 17.01  ? 269 PHE   A CA   1 
ATOM   253  C  C    . PHE   A 1 24  ? -24.619 18.378  7.648  1.00 17.35  ? 269 PHE   A C    1 
ATOM   254  O  O    . PHE   A 1 24  ? -24.720 18.842  8.786  1.00 16.64  ? 269 PHE   A O    1 
ATOM   255  C  CB   . PHE   A 1 24  ? -26.173 19.796  6.309  1.00 19.73  ? 269 PHE   A CB   1 
ATOM   256  C  CG   . PHE   A 1 24  ? -25.023 20.540  5.691  1.00 24.63  ? 269 PHE   A CG   1 
ATOM   257  C  CD1  . PHE   A 1 24  ? -24.741 20.399  4.350  1.00 28.18  ? 269 PHE   A CD1  1 
ATOM   258  C  CD2  . PHE   A 1 24  ? -24.254 21.377  6.450  1.00 28.00  ? 269 PHE   A CD2  1 
ATOM   259  C  CE1  . PHE   A 1 24  ? -23.673 21.084  3.778  1.00 31.23  ? 269 PHE   A CE1  1 
ATOM   260  C  CE2  . PHE   A 1 24  ? -23.195 22.062  5.890  1.00 32.78  ? 269 PHE   A CE2  1 
ATOM   261  C  CZ   . PHE   A 1 24  ? -22.909 21.908  4.554  1.00 32.50  ? 269 PHE   A CZ   1 
ATOM   262  H  H    . PHE   A 1 24  ? -27.047 17.980  8.212  1.00 17.58  ? 269 PHE   A H    1 
ATOM   263  H  HA   . PHE   A 1 24  ? -25.582 17.859  5.929  1.00 20.45  ? 269 PHE   A HA   1 
ATOM   264  H  HB2  . PHE   A 1 24  ? -26.892 19.766  5.659  1.00 23.71  ? 269 PHE   A HB2  1 
ATOM   265  H  HB3  . PHE   A 1 24  ? -26.457 20.287  7.095  1.00 23.71  ? 269 PHE   A HB3  1 
ATOM   266  H  HD1  . PHE   A 1 24  ? -25.267 19.841  3.823  1.00 33.84  ? 269 PHE   A HD1  1 
ATOM   267  H  HD2  . PHE   A 1 24  ? -24.447 21.487  7.353  1.00 33.63  ? 269 PHE   A HD2  1 
ATOM   268  H  HE1  . PHE   A 1 24  ? -23.481 20.982  2.874  1.00 37.50  ? 269 PHE   A HE1  1 
ATOM   269  H  HE2  . PHE   A 1 24  ? -22.676 22.627  6.416  1.00 39.36  ? 269 PHE   A HE2  1 
ATOM   270  H  HZ   . PHE   A 1 24  ? -22.193 22.367  4.177  1.00 39.03  ? 269 PHE   A HZ   1 
ATOM   271  N  N    . MET   A 1 25  ? -23.485 17.845  7.184  1.00 19.23  ? 270 MET   A N    1 
ATOM   272  C  CA   . MET   A 1 25  ? -22.238 17.939  7.937  1.00 20.40  ? 270 MET   A CA   1 
ATOM   273  C  C    . MET   A 1 25  ? -21.359 19.010  7.297  1.00 18.81  ? 270 MET   A C    1 
ATOM   274  O  O    . MET   A 1 25  ? -21.175 19.023  6.074  1.00 18.76  ? 270 MET   A O    1 
ATOM   275  C  CB   . MET   A 1 25  ? -21.511 16.591  7.993  1.00 25.99  ? 270 MET   A CB   1 
ATOM   276  C  CG   . MET   A 1 25  ? -20.212 16.638  8.868  1.00 33.80  ? 270 MET   A CG   1 
ATOM   277  S  SD   . MET   A 1 25  ? -19.378 15.033  9.184  1.00 39.47  ? 270 MET   A SD   1 
ATOM   278  C  CE   . MET   A 1 25  ? -18.816 14.577  7.586  1.00 43.09  ? 270 MET   A CE   1 
ATOM   279  H  H    . MET   A 1 25  ? -23.418 17.426  6.436  1.00 23.11  ? 270 MET   A H    1 
ATOM   280  H  HA   . MET   A 1 25  ? -22.431 18.187  8.854  1.00 24.51  ? 270 MET   A HA   1 
ATOM   281  H  HB2  . MET   A 1 25  ? -22.106 15.927  8.375  1.00 31.22  ? 270 MET   A HB2  1 
ATOM   282  H  HB3  . MET   A 1 25  ? -21.258 16.331  7.094  1.00 31.22  ? 270 MET   A HB3  1 
ATOM   283  H  HG2  . MET   A 1 25  ? -19.568 17.210  8.422  1.00 40.59  ? 270 MET   A HG2  1 
ATOM   284  H  HG3  . MET   A 1 25  ? -20.445 17.012  9.733  1.00 40.59  ? 270 MET   A HG3  1 
ATOM   285  H  HE1  . MET   A 1 25  ? -18.585 13.635  7.590  1.00 51.73  ? 270 MET   A HE1  1 
ATOM   286  H  HE2  . MET   A 1 25  ? -19.524 14.741  6.944  1.00 51.73  ? 270 MET   A HE2  1 
ATOM   287  H  HE3  . MET   A 1 25  ? -18.036 15.108  7.362  1.00 51.73  ? 270 MET   A HE3  1 
ATOM   288  N  N    . SER   A 1 26  ? -20.822 19.904  8.127  1.00 19.05  ? 271 SER   A N    1 
ATOM   289  C  CA   . SER   A 1 26  ? -20.024 21.037  7.651  1.00 19.07  ? 271 SER   A CA   1 
ATOM   290  C  C    . SER   A 1 26  ? -18.698 20.585  7.049  1.00 19.57  ? 271 SER   A C    1 
ATOM   291  O  O    . SER   A 1 26  ? -18.209 19.510  7.326  1.00 18.95  ? 271 SER   A O    1 
ATOM   292  C  CB   . SER   A 1 26  ? -19.765 22.014  8.806  1.00 18.56  ? 271 SER   A CB   1 
ATOM   293  O  OG   . SER   A 1 26  ? -18.985 21.394  9.813  1.00 17.58  ? 271 SER   A OG   1 
ATOM   294  H  H    . SER   A 1 26  ? -20.906 19.880  8.983  1.00 22.88  ? 271 SER   A H    1 
ATOM   295  H  HA   . SER   A 1 26  ? -20.515 21.495  6.951  1.00 22.91  ? 271 SER   A HA   1 
ATOM   296  H  HB2  . SER   A 1 26  ? -19.289 22.788  8.466  1.00 22.30  ? 271 SER   A HB2  1 
ATOM   297  H  HB3  . SER   A 1 26  ? -20.615 22.288  9.186  1.00 22.30  ? 271 SER   A HB3  1 
ATOM   298  H  HG   . SER   A 1 26  ? -18.282 21.079  9.479  1.00 21.12  ? 271 SER   A HG   1 
ATOM   299  N  N    . ASN   A 1 27  ? -18.124 21.443  6.218  1.00 22.96  ? 272 ASN   A N    1 
ATOM   300  C  CA   . ASN   A 1 27  ? -16.771 21.245  5.740  1.00 32.19  ? 272 ASN   A CA   1 
ATOM   301  C  C    . ASN   A 1 27  ? -15.797 22.267  6.337  1.00 29.76  ? 272 ASN   A C    1 
ATOM   302  O  O    . ASN   A 1 27  ? -14.656 22.369  5.870  1.00 30.46  ? 272 ASN   A O    1 
ATOM   303  C  CB   . ASN   A 1 27  ? -16.694 21.305  4.205  1.00 45.18  ? 272 ASN   A CB   1 
ATOM   304  C  CG   . ASN   A 1 27  ? -17.093 22.647  3.641  1.00 58.05  ? 272 ASN   A CG   1 
ATOM   305  O  OD1  . ASN   A 1 27  ? -17.533 23.545  4.364  1.00 64.50  ? 272 ASN   A OD1  1 
ATOM   306  N  ND2  . ASN   A 1 27  ? -16.839 22.833  2.345  1.00 61.54  ? 272 ASN   A ND2  1 
ATOM   307  H  H    . ASN   A 1 27  ? -18.505 22.152  5.916  1.00 27.58  ? 272 ASN   A H    1 
ATOM   308  H  HA   . ASN   A 1 27  ? -16.497 20.353  6.005  1.00 38.66  ? 272 ASN   A HA   1 
ATOM   309  H  HB2  . ASN   A 1 27  ? -15.782 21.125  3.928  1.00 54.25  ? 272 ASN   A HB2  1 
ATOM   310  H  HB3  . ASN   A 1 27  ? -17.291 20.636  3.834  1.00 54.25  ? 272 ASN   A HB3  1 
ATOM   311  H  HD21 . ASN   A 1 27  ? -16.469 22.208  1.885  1.00 73.87  ? 272 ASN   A HD21 1 
ATOM   312  H  HD22 . ASN   A 1 27  ? -17.044 23.579  1.970  1.00 73.87  ? 272 ASN   A HD22 1 
ATOM   313  N  N    . SER   A 1 28  ? -16.225 23.022  7.352  1.00 27.45  ? 273 SER   A N    1 
ATOM   314  C  CA   . SER   A 1 28  ? -15.382 23.934  8.114  1.00 24.78  ? 273 SER   A CA   1 
ATOM   315  C  C    . SER   A 1 28  ? -15.650 23.691  9.597  1.00 23.06  ? 273 SER   A C    1 
ATOM   316  O  O    . SER   A 1 28  ? -16.570 22.961  9.967  1.00 21.06  ? 273 SER   A O    1 
ATOM   317  C  CB   . SER   A 1 28  ? -15.669 25.399  7.762  1.00 25.65  ? 273 SER   A CB   1 
ATOM   318  O  OG   . SER   A 1 28  ? -16.969 25.753  8.179  1.00 31.14  ? 273 SER   A OG   1 
ATOM   319  H  H    . SER   A 1 28  ? -17.039 23.018  7.627  1.00 32.97  ? 273 SER   A H    1 
ATOM   320  H  HA   . SER   A 1 28  ? -14.447 23.761  7.919  1.00 29.77  ? 273 SER   A HA   1 
ATOM   321  H  HB2  . SER   A 1 28  ? -15.024 25.967  8.212  1.00 30.81  ? 273 SER   A HB2  1 
ATOM   322  H  HB3  . SER   A 1 28  ? -15.600 25.515  6.802  1.00 30.81  ? 273 SER   A HB3  1 
ATOM   323  H  HG   . SER   A 1 28  ? -17.075 26.584  8.115  1.00 37.39  ? 273 SER   A HG   1 
ATOM   324  N  N    . GLN   A 1 29  ? -14.845 24.318  10.459 1.00 21.81  ? 274 GLN   A N    1 
ATOM   325  C  CA   . GLN   A 1 29  ? -14.960 24.118  11.894 1.00 21.99  ? 274 GLN   A CA   1 
ATOM   326  C  C    . GLN   A 1 29  ? -15.266 25.429  12.611 1.00 19.50  ? 274 GLN   A C    1 
ATOM   327  O  O    . GLN   A 1 29  ? -14.691 26.489  12.284 1.00 18.10  ? 274 GLN   A O    1 
ATOM   328  C  CB   . GLN   A 1 29  ? -13.665 23.517  12.457 1.00 22.28  ? 274 GLN   A CB   1 
ATOM   329  C  CG   . GLN   A 1 29  ? -13.256 22.223  11.785 1.00 23.52  ? 274 GLN   A CG   1 
ATOM   330  C  CD   . GLN   A 1 29  ? -11.900 21.747  12.222 1.00 28.73  ? 274 GLN   A CD   1 
ATOM   331  O  OE1  . GLN   A 1 29  ? -11.769 20.934  13.151 1.00 32.24  ? 274 GLN   A OE1  1 
ATOM   332  N  NE2  . GLN   A 1 29  ? -10.892 22.234  11.577 1.00 30.67  ? 274 GLN   A NE2  1 
ATOM   333  H  H    . GLN   A 1 29  ? -14.223 24.864  10.227 1.00 26.21  ? 274 GLN   A H    1 
ATOM   334  H  HA   . GLN   A 1 29  ? -15.700 23.515  12.068 1.00 26.42  ? 274 GLN   A HA   1 
ATOM   335  H  HB2  . GLN   A 1 29  ? -12.945 24.156  12.336 1.00 26.77  ? 274 GLN   A HB2  1 
ATOM   336  H  HB3  . GLN   A 1 29  ? -13.791 23.334  13.402 1.00 26.77  ? 274 GLN   A HB3  1 
ATOM   337  H  HG2  . GLN   A 1 29  ? -13.901 21.534  12.005 1.00 28.26  ? 274 GLN   A HG2  1 
ATOM   338  H  HG3  . GLN   A 1 29  ? -13.231 22.360  10.825 1.00 28.26  ? 274 GLN   A HG3  1 
ATOM   339  H  HE21 . GLN   A 1 29  ? -11.021 22.797  10.939 1.00 36.83  ? 274 GLN   A HE21 1 
ATOM   340  H  HE22 . GLN   A 1 29  ? -10.092 21.996  11.785 1.00 36.83  ? 274 GLN   A HE22 1 
ATOM   341  N  N    . ARG   A 1 30  ? -16.149 25.338  13.604 1.00 17.61  ? 275 ARG   A N    1 
ATOM   342  C  CA   . ARG   A 1 30  ? -16.505 26.461  14.440 1.00 18.76  ? 275 ARG   A CA   1 
ATOM   343  C  C    . ARG   A 1 30  ? -16.688 25.993  15.875 1.00 16.52  ? 275 ARG   A C    1 
ATOM   344  O  O    . ARG   A 1 30  ? -16.881 24.794  16.147 1.00 16.21  ? 275 ARG   A O    1 
ATOM   345  C  CB   . ARG   A 1 30  ? -17.827 27.122  13.992 1.00 23.69  ? 275 ARG   A CB   1 
ATOM   346  C  CG   . ARG   A 1 30  ? -17.803 27.756  12.619 1.00 26.87  ? 275 ARG   A CG   1 
ATOM   347  C  CD   . ARG   A 1 30  ? -19.167 28.376  12.369 1.00 31.72  ? 275 ARG   A CD   1 
ATOM   348  N  NE   . ARG   A 1 30  ? -19.280 28.972  11.058 1.00 39.39  ? 275 ARG   A NE   1 
ATOM   349  C  CZ   . ARG   A 1 30  ? -20.166 29.925  10.755 1.00 44.89  ? 275 ARG   A CZ   1 
ATOM   350  N  NH1  . ARG   A 1 30  ? -21.003 30.402  11.699 1.00 43.57  ? 275 ARG   A NH1  1 
ATOM   351  N  NH2  . ARG   A 1 30  ? -20.195 30.411  9.528  1.00 48.95  ? 275 ARG   A NH2  1 
ATOM   352  H  H    . ARG   A 1 30  ? -16.563 24.612  13.812 1.00 21.16  ? 275 ARG   A H    1 
ATOM   353  H  HA   . ARG   A 1 30  ? -15.782 27.107  14.395 1.00 22.54  ? 275 ARG   A HA   1 
ATOM   354  H  HB2  . ARG   A 1 30  ? -18.520 26.443  13.984 1.00 28.45  ? 275 ARG   A HB2  1 
ATOM   355  H  HB3  . ARG   A 1 30  ? -18.052 27.819  14.628 1.00 28.45  ? 275 ARG   A HB3  1 
ATOM   356  H  HG2  . ARG   A 1 30  ? -17.125 28.448  12.582 1.00 32.27  ? 275 ARG   A HG2  1 
ATOM   357  H  HG3  . ARG   A 1 30  ? -17.628 27.083  11.942 1.00 32.27  ? 275 ARG   A HG3  1 
ATOM   358  H  HD2  . ARG   A 1 30  ? -19.846 27.688  12.445 1.00 38.10  ? 275 ARG   A HD2  1 
ATOM   359  H  HD3  . ARG   A 1 30  ? -19.323 29.071  13.028 1.00 38.10  ? 275 ARG   A HD3  1 
ATOM   360  H  HE   . ARG   A 1 30  ? -18.750 28.699  10.439 1.00 47.30  ? 275 ARG   A HE   1 
ATOM   361  H  HH11 . ARG   A 1 30  ? -20.969 30.093  12.500 1.00 52.32  ? 275 ARG   A HH11 1 
ATOM   362  H  HH12 . ARG   A 1 30  ? -21.571 31.016  11.498 1.00 52.32  ? 275 ARG   A HH12 1 
ATOM   363  H  HH21 . ARG   A 1 30  ? -19.649 30.113  8.934  1.00 58.77  ? 275 ARG   A HH21 1 
ATOM   364  H  HH22 . ARG   A 1 30  ? -20.762 31.025  9.322  1.00 58.77  ? 275 ARG   A HH22 1 
ATOM   365  N  N    . ASN   A 1 31  ? -16.690 26.949  16.803 1.00 17.48  ? 276 ASN   A N    1 
ATOM   366  C  CA   . ASN   A 1 31  ? -16.996 26.582  18.181 1.00 18.99  ? 276 ASN   A CA   1 
ATOM   367  C  C    . ASN   A 1 31  ? -18.496 26.305  18.318 1.00 18.10  ? 276 ASN   A C    1 
ATOM   368  O  O    . ASN   A 1 31  ? -19.297 26.521  17.396 1.00 18.53  ? 276 ASN   A O    1 
ATOM   369  C  CB   . ASN   A 1 31  ? -16.502 27.672  19.146 1.00 23.59  ? 276 ASN   A CB   1 
ATOM   370  C  CG   . ASN   A 1 31  ? -17.282 28.972  19.044 1.00 24.20  ? 276 ASN   A CG   1 
ATOM   371  O  OD1  . ASN   A 1 31  ? -18.493 29.010  18.744 1.00 21.69  ? 276 ASN   A OD1  1 
ATOM   372  N  ND2  . ASN   A 1 31  ? -16.584 30.071  19.319 1.00 25.72  ? 276 ASN   A ND2  1 
ATOM   373  H  H    . ASN   A 1 31  ? -16.524 27.781  16.667 1.00 21.00  ? 276 ASN   A H    1 
ATOM   374  H  HA   . ASN   A 1 31  ? -16.534 25.767  18.432 1.00 22.82  ? 276 ASN   A HA   1 
ATOM   375  H  HB2  . ASN   A 1 31  ? -16.586 27.347  20.056 1.00 28.33  ? 276 ASN   A HB2  1 
ATOM   376  H  HB3  . ASN   A 1 31  ? -15.573 27.868  18.947 1.00 28.33  ? 276 ASN   A HB3  1 
ATOM   377  H  HD21 . ASN   A 1 31  ? -16.963 30.842  19.281 1.00 30.90  ? 276 ASN   A HD21 1 
ATOM   378  H  HD22 . ASN   A 1 31  ? -15.754 30.010  19.535 1.00 30.90  ? 276 ASN   A HD22 1 
ATOM   379  N  N    . TRP   A 1 32  ? -18.882 25.823  19.489 1.00 16.21  ? 277 TRP   A N    1 
ATOM   380  C  CA   . TRP   A 1 32  ? -20.203 25.221  19.666 1.00 18.42  ? 277 TRP   A CA   1 
ATOM   381  C  C    . TRP   A 1 32  ? -21.298 26.260  19.476 1.00 18.73  ? 277 TRP   A C    1 
ATOM   382  O  O    . TRP   A 1 32  ? -22.293 26.023  18.770 1.00 16.85  ? 277 TRP   A O    1 
ATOM   383  C  CB   . TRP   A 1 32  ? -20.299 24.582  21.057 1.00 17.78  ? 277 TRP   A CB   1 
ATOM   384  C  CG   . TRP   A 1 32  ? -21.564 23.762  21.293 1.00 16.76  ? 277 TRP   A CG   1 
ATOM   385  C  CD1  . TRP   A 1 32  ? -21.819 22.468  20.856 1.00 15.95  ? 277 TRP   A CD1  1 
ATOM   386  C  CD2  . TRP   A 1 32  ? -22.712 24.167  22.029 1.00 15.60  ? 277 TRP   A CD2  1 
ATOM   387  N  NE1  . TRP   A 1 32  ? -23.064 22.065  21.296 1.00 14.25  ? 277 TRP   A NE1  1 
ATOM   388  C  CE2  . TRP   A 1 32  ? -23.630 23.090  22.007 1.00 15.70  ? 277 TRP   A CE2  1 
ATOM   389  C  CE3  . TRP   A 1 32  ? -23.065 25.347  22.699 1.00 16.15  ? 277 TRP   A CE3  1 
ATOM   390  C  CZ2  . TRP   A 1 32  ? -24.878 23.165  22.628 1.00 19.46  ? 277 TRP   A CZ2  1 
ATOM   391  C  CZ3  . TRP   A 1 32  ? -24.273 25.416  23.316 1.00 19.41  ? 277 TRP   A CZ3  1 
ATOM   392  C  CH2  . TRP   A 1 32  ? -25.173 24.323  23.296 1.00 20.87  ? 277 TRP   A CH2  1 
ATOM   393  H  H    . TRP   A 1 32  ? -18.402 25.828  20.203 1.00 19.48  ? 277 TRP   A H    1 
ATOM   394  H  HA   . TRP   A 1 32  ? -20.328 24.524  19.004 1.00 22.13  ? 277 TRP   A HA   1 
ATOM   395  H  HB2  . TRP   A 1 32  ? -19.540 23.990  21.178 1.00 21.37  ? 277 TRP   A HB2  1 
ATOM   396  H  HB3  . TRP   A 1 32  ? -20.278 25.287  21.723 1.00 21.37  ? 277 TRP   A HB3  1 
ATOM   397  H  HD1  . TRP   A 1 32  ? -21.239 21.952  20.345 1.00 19.17  ? 277 TRP   A HD1  1 
ATOM   398  H  HE1  . TRP   A 1 32  ? -23.425 21.298  21.149 1.00 17.13  ? 277 TRP   A HE1  1 
ATOM   399  H  HE3  . TRP   A 1 32  ? -22.482 26.072  22.719 1.00 19.40  ? 277 TRP   A HE3  1 
ATOM   400  H  HZ2  . TRP   A 1 32  ? -25.483 22.459  22.590 1.00 23.38  ? 277 TRP   A HZ2  1 
ATOM   401  H  HZ3  . TRP   A 1 32  ? -24.514 26.196  23.761 1.00 23.32  ? 277 TRP   A HZ3  1 
ATOM   402  H  HH2  . TRP   A 1 32  ? -25.983 24.393  23.747 1.00 25.07  ? 277 TRP   A HH2  1 
ATOM   403  N  N    . HIS   A 1 33  ? -21.136 27.429  20.105 1.00 20.71  ? 278 HIS   A N    1 
ATOM   404  C  CA   . HIS   A 1 33  ? -22.148 28.476  19.970 1.00 21.58  ? 278 HIS   A CA   1 
ATOM   405  C  C    . HIS   A 1 33  ? -22.246 28.998  18.545 1.00 20.86  ? 278 HIS   A C    1 
ATOM   406  O  O    . HIS   A 1 33  ? -23.341 29.322  18.077 1.00 18.72  ? 278 HIS   A O    1 
ATOM   407  C  CB   . HIS   A 1 33  ? -21.838 29.617  20.938 1.00 24.39  ? 278 HIS   A CB   1 
ATOM   408  C  CG   . HIS   A 1 33  ? -22.060 29.251  22.371 1.00 27.75  ? 278 HIS   A CG   1 
ATOM   409  N  ND1  . HIS   A 1 33  ? -21.045 28.777  23.181 1.00 28.51  ? 278 HIS   A ND1  1 
ATOM   410  C  CD2  . HIS   A 1 33  ? -23.183 29.267  23.132 1.00 30.00  ? 278 HIS   A CD2  1 
ATOM   411  C  CE1  . HIS   A 1 33  ? -21.531 28.533  24.387 1.00 29.22  ? 278 HIS   A CE1  1 
ATOM   412  N  NE2  . HIS   A 1 33  ? -22.828 28.817  24.382 1.00 28.95  ? 278 HIS   A NE2  1 
ATOM   413  H  H    . HIS   A 1 33  ? -20.467 27.637  20.603 1.00 24.88  ? 278 HIS   A H    1 
ATOM   414  H  HA   . HIS   A 1 33  ? -23.012 28.099  20.199 1.00 25.92  ? 278 HIS   A HA   1 
ATOM   415  H  HB2  . HIS   A 1 33  ? -20.908 29.871  20.835 1.00 29.30  ? 278 HIS   A HB2  1 
ATOM   416  H  HB3  . HIS   A 1 33  ? -22.413 30.370  20.730 1.00 29.30  ? 278 HIS   A HB3  1 
ATOM   417  H  HD2  . HIS   A 1 33  ? -24.032 29.532  22.860 1.00 36.03  ? 278 HIS   A HD2  1 
ATOM   418  H  HE1  . HIS   A 1 33  ? -21.046 28.216  25.115 1.00 35.09  ? 278 HIS   A HE1  1 
ATOM   419  H  HE2  . HIS   A 1 33  ? -23.360 28.733  25.052 1.00 34.77  ? 278 HIS   A HE2  1 
ATOM   420  N  N    . ASP   A 1 34  ? -21.117 29.115  17.852 1.00 21.60  ? 279 ASP   A N    1 
ATOM   421  C  CA   . ASP   A 1 34  ? -21.167 29.557  16.466 1.00 22.98  ? 279 ASP   A CA   1 
ATOM   422  C  C    . ASP   A 1 34  ? -21.772 28.492  15.566 1.00 18.10  ? 279 ASP   A C    1 
ATOM   423  O  O    . ASP   A 1 34  ? -22.347 28.817  14.519 1.00 17.42  ? 279 ASP   A O    1 
ATOM   424  C  CB   . ASP   A 1 34  ? -19.768 29.959  15.980 1.00 28.13  ? 279 ASP   A CB   1 
ATOM   425  C  CG   . ASP   A 1 34  ? -19.301 31.285  16.589 1.00 32.66  ? 279 ASP   A CG   1 
ATOM   426  O  OD1  . ASP   A 1 34  ? -20.143 32.001  17.171 1.00 33.78  ? 279 ASP   A OD1  1 
ATOM   427  O  OD2  . ASP   A 1 34  ? -18.087 31.604  16.501 1.00 33.93  ? 279 ASP   A OD2  1 
ATOM   428  H  H    . ASP   A 1 34  ? -20.328 28.950  18.152 1.00 25.94  ? 279 ASP   A H    1 
ATOM   429  H  HA   . ASP   A 1 34  ? -21.727 30.347  16.408 1.00 27.60  ? 279 ASP   A HA   1 
ATOM   430  H  HB2  . ASP   A 1 34  ? -19.133 29.270  16.233 1.00 33.78  ? 279 ASP   A HB2  1 
ATOM   431  H  HB3  . ASP   A 1 34  ? -19.783 30.059  15.015 1.00 33.78  ? 279 ASP   A HB3  1 
ATOM   432  N  N    . SER   A 1 35  ? -21.668 27.212  15.950 1.00 15.19  ? 280 SER   A N    1 
ATOM   433  C  CA   . SER   A 1 35  ? -22.302 26.152  15.193 1.00 16.45  ? 280 SER   A CA   1 
ATOM   434  C  C    . SER   A 1 35  ? -23.821 26.222  15.323 1.00 14.86  ? 280 SER   A C    1 
ATOM   435  O  O    . SER   A 1 35  ? -24.555 25.990  14.341 1.00 14.25  ? 280 SER   A O    1 
ATOM   436  C  CB   . SER   A 1 35  ? -21.804 24.777  15.692 1.00 18.28  ? 280 SER   A CB   1 
ATOM   437  O  OG   . SER   A 1 35  ? -20.421 24.601  15.384 1.00 17.43  ? 280 SER   A OG   1 
ATOM   438  H  H    . SER   A 1 35  ? -21.238 26.940  16.643 1.00 18.25  ? 280 SER   A H    1 
ATOM   439  H  HA   . SER   A 1 35  ? -22.061 26.251  14.258 1.00 19.77  ? 280 SER   A HA   1 
ATOM   440  H  HB2  . SER   A 1 35  ? -21.923 24.728  16.654 1.00 21.96  ? 280 SER   A HB2  1 
ATOM   441  H  HB3  . SER   A 1 35  ? -22.317 24.078  15.258 1.00 21.96  ? 280 SER   A HB3  1 
ATOM   442  H  HG   . SER   A 1 35  ? -19.960 25.173  15.791 1.00 20.95  ? 280 SER   A HG   1 
ATOM   443  N  N    . ILE   A 1 36  ? -24.315 26.537  16.530 1.00 14.75  ? 281 ILE   A N    1 
ATOM   444  C  CA   . ILE   A 1 36  ? -25.751 26.754  16.732 1.00 16.98  ? 281 ILE   A CA   1 
ATOM   445  C  C    . ILE   A 1 36  ? -26.265 27.794  15.749 1.00 17.31  ? 281 ILE   A C    1 
ATOM   446  O  O    . ILE   A 1 36  ? -27.266 27.576  15.041 1.00 19.60  ? 281 ILE   A O    1 
ATOM   447  C  CB   . ILE   A 1 36  ? -26.023 27.175  18.190 1.00 20.65  ? 281 ILE   A CB   1 
ATOM   448  C  CG1  . ILE   A 1 36  ? -25.797 25.967  19.111 1.00 24.59  ? 281 ILE   A CG1  1 
ATOM   449  C  CG2  . ILE   A 1 36  ? -27.456 27.724  18.341 1.00 24.20  ? 281 ILE   A CG2  1 
ATOM   450  C  CD1  . ILE   A 1 36  ? -26.058 26.222  20.544 1.00 28.85  ? 281 ILE   A CD1  1 
ATOM   451  H  H    . ILE   A 1 36  ? -23.843 26.631  17.242 1.00 17.73  ? 281 ILE   A H    1 
ATOM   452  H  HA   . ILE   A 1 36  ? -26.222 25.923  16.565 1.00 20.40  ? 281 ILE   A HA   1 
ATOM   453  H  HB   . ILE   A 1 36  ? -25.409 27.885  18.438 1.00 24.81  ? 281 ILE   A HB   1 
ATOM   454  H  HG12 . ILE   A 1 36  ? -26.388 25.251  18.830 1.00 29.54  ? 281 ILE   A HG12 1 
ATOM   455  H  HG13 . ILE   A 1 36  ? -24.872 25.686  19.029 1.00 29.54  ? 281 ILE   A HG13 1 
ATOM   456  H  HG21 . ILE   A 1 36  ? -27.641 27.869  19.282 1.00 29.07  ? 281 ILE   A HG21 1 
ATOM   457  H  HG22 . ILE   A 1 36  ? -27.526 28.561  17.857 1.00 29.07  ? 281 ILE   A HG22 1 
ATOM   458  H  HG23 . ILE   A 1 36  ? -28.081 27.078  17.977 1.00 29.07  ? 281 ILE   A HG23 1 
ATOM   459  H  HD11 . ILE   A 1 36  ? -25.777 25.449  21.059 1.00 34.64  ? 281 ILE   A HD11 1 
ATOM   460  H  HD12 . ILE   A 1 36  ? -25.555 27.004  20.822 1.00 34.64  ? 281 ILE   A HD12 1 
ATOM   461  H  HD13 . ILE   A 1 36  ? -27.007 26.377  20.670 1.00 34.64  ? 281 ILE   A HD13 1 
ATOM   462  N  N    . THR   A 1 37  ? -25.564 28.936  15.679 1.00 17.43  ? 282 THR   A N    1 
ATOM   463  C  CA   . THR   A 1 37  ? -25.966 30.020  14.782 1.00 19.06  ? 282 THR   A CA   1 
ATOM   464  C  C    . THR   A 1 37  ? -25.891 29.596  13.322 1.00 19.39  ? 282 THR   A C    1 
ATOM   465  O  O    . THR   A 1 37  ? -26.749 29.960  12.526 1.00 18.86  ? 282 THR   A O    1 
ATOM   466  C  CB   . THR   A 1 37  ? -25.068 31.244  15.029 1.00 23.28  ? 282 THR   A CB   1 
ATOM   467  O  OG1  . THR   A 1 37  ? -25.092 31.563  16.423 1.00 24.50  ? 282 THR   A OG1  1 
ATOM   468  C  CG2  . THR   A 1 37  ? -25.556 32.446  14.248 1.00 25.22  ? 282 THR   A CG2  1 
ATOM   469  H  H    . THR   A 1 37  ? -24.856 29.106  16.137 1.00 20.95  ? 282 THR   A H    1 
ATOM   470  H  HA   . THR   A 1 37  ? -26.886 30.262  14.973 1.00 22.90  ? 282 THR   A HA   1 
ATOM   471  H  HB   . THR   A 1 37  ? -24.165 31.041  14.740 1.00 27.96  ? 282 THR   A HB   1 
ATOM   472  H  HG1  . THR   A 1 37  ? -24.640 32.257  16.566 1.00 29.43  ? 282 THR   A HG1  1 
ATOM   473  H  HG21 . THR   A 1 37  ? -25.048 33.233  14.500 1.00 30.29  ? 282 THR   A HG21 1 
ATOM   474  H  HG22 . THR   A 1 37  ? -25.444 32.291  13.297 1.00 30.29  ? 282 THR   A HG22 1 
ATOM   475  H  HG23 . THR   A 1 37  ? -26.494 32.604  14.433 1.00 30.29  ? 282 THR   A HG23 1 
ATOM   476  N  N    . ALA   A 1 38  ? -24.866 28.836  12.948 1.00 20.69  ? 283 ALA   A N    1 
ATOM   477  C  CA   . ALA   A 1 38  ? -24.754 28.383  11.564 1.00 21.53  ? 283 ALA   A CA   1 
ATOM   478  C  C    . ALA   A 1 38  ? -25.965 27.569  11.137 1.00 19.22  ? 283 ALA   A C    1 
ATOM   479  O  O    . ALA   A 1 38  ? -26.449 27.713  9.998  1.00 18.52  ? 283 ALA   A O    1 
ATOM   480  C  CB   . ALA   A 1 38  ? -23.482 27.565  11.356 1.00 19.74  ? 283 ALA   A CB   1 
ATOM   481  H  H    . ALA   A 1 38  ? -24.231 28.571  13.463 1.00 24.85  ? 283 ALA   A H    1 
ATOM   482  H  HA   . ALA   A 1 38  ? -24.699 29.173  11.004 1.00 25.86  ? 283 ALA   A HA   1 
ATOM   483  H  HB1  . ALA   A 1 38  ? -23.426 27.301  10.424 1.00 23.72  ? 283 ALA   A HB1  1 
ATOM   484  H  HB2  . ALA   A 1 38  ? -22.715 28.109  11.593 1.00 23.72  ? 283 ALA   A HB2  1 
ATOM   485  H  HB3  . ALA   A 1 38  ? -23.517 26.778  11.921 1.00 23.72  ? 283 ALA   A HB3  1 
ATOM   486  N  N    . CYS   A 1 39  ? -26.456 26.683  12.014 1.00 16.24  ? 284 CYS   A N    1 
ATOM   487  C  CA   . CYS   A 1 39  ? -27.624 25.895  11.628 1.00 15.92  ? 284 CYS   A CA   1 
ATOM   488  C  C    . CYS   A 1 39  ? -28.865 26.766  11.530 1.00 16.18  ? 284 CYS   A C    1 
ATOM   489  O  O    . CYS   A 1 39  ? -29.642 26.635  10.581 1.00 16.16  ? 284 CYS   A O    1 
ATOM   490  C  CB   . CYS   A 1 39  ? -27.849 24.748  12.615 1.00 17.54  ? 284 CYS   A CB   1 
ATOM   491  S  SG   . CYS   A 1 39  ? -26.518 23.524  12.619 1.00 19.76  ? 284 CYS   A SG   1 
ATOM   492  H  H    . CYS   A 1 39  ? -26.145 26.527  12.800 1.00 19.52  ? 284 CYS   A H    1 
ATOM   493  H  HA   . CYS   A 1 39  ? -27.458 25.503  10.757 1.00 19.13  ? 284 CYS   A HA   1 
ATOM   494  H  HB2  . CYS   A 1 39  ? -27.917 25.115  13.510 1.00 21.07  ? 284 CYS   A HB2  1 
ATOM   495  H  HB3  . CYS   A 1 39  ? -28.671 24.290  12.380 1.00 21.07  ? 284 CYS   A HB3  1 
ATOM   496  N  N    . LYS   A 1 40  ? -29.051 27.676  12.482 1.00 15.69  ? 285 LYS   A N    1 
ATOM   497  C  CA   . LYS   A 1 40  ? -30.203 28.563  12.424 1.00 20.84  ? 285 LYS   A CA   1 
ATOM   498  C  C    . LYS   A 1 40  ? -30.219 29.386  11.145 1.00 22.00  ? 285 LYS   A C    1 
ATOM   499  O  O    . LYS   A 1 40  ? -31.295 29.667  10.613 1.00 24.81  ? 285 LYS   A O    1 
ATOM   500  C  CB   . LYS   A 1 40  ? -30.220 29.501  13.640 1.00 25.17  ? 285 LYS   A CB   1 
ATOM   501  C  CG   . LYS   A 1 40  ? -30.603 28.808  14.936 1.00 30.86  ? 285 LYS   A CG   1 
ATOM   502  C  CD   . LYS   A 1 40  ? -30.590 29.798  16.086 1.00 37.91  ? 285 LYS   A CD   1 
ATOM   503  C  CE   . LYS   A 1 40  ? -31.507 29.371  17.212 1.00 47.40  ? 285 LYS   A CE   1 
ATOM   504  N  NZ   . LYS   A 1 40  ? -32.559 30.444  17.362 1.00 55.59  ? 285 LYS   A NZ   1 
ATOM   505  H  H    . LYS   A 1 40  ? -28.536 27.798  13.159 1.00 18.85  ? 285 LYS   A H    1 
ATOM   506  H  HA   . LYS   A 1 40  ? -31.005 28.016  12.448 1.00 25.03  ? 285 LYS   A HA   1 
ATOM   507  H  HB2  . LYS   A 1 40  ? -29.334 29.879  13.756 1.00 30.23  ? 285 LYS   A HB2  1 
ATOM   508  H  HB3  . LYS   A 1 40  ? -30.863 30.209  13.480 1.00 30.23  ? 285 LYS   A HB3  1 
ATOM   509  H  HG2  . LYS   A 1 40  ? -31.496 28.438  14.856 1.00 37.06  ? 285 LYS   A HG2  1 
ATOM   510  H  HG3  . LYS   A 1 40  ? -29.967 28.101  15.128 1.00 37.06  ? 285 LYS   A HG3  1 
ATOM   511  H  HD2  . LYS   A 1 40  ? -29.689 29.866  16.438 1.00 45.53  ? 285 LYS   A HD2  1 
ATOM   512  H  HD3  . LYS   A 1 40  ? -30.887 30.664  15.765 1.00 45.53  ? 285 LYS   A HD3  1 
ATOM   513  H  HE2  . LYS   A 1 40  ? -31.934 28.527  16.997 1.00 56.91  ? 285 LYS   A HE2  1 
ATOM   514  H  HE3  . LYS   A 1 40  ? -31.008 29.289  18.040 1.00 56.91  ? 285 LYS   A HE3  1 
ATOM   515  H  HZ1  . LYS   A 1 40  ? -33.204 30.163  17.908 1.00 66.74  ? 285 LYS   A HZ1  1 
ATOM   516  H  HZ2  . LYS   A 1 40  ? -32.196 31.182  17.701 1.00 66.74  ? 285 LYS   A HZ2  1 
ATOM   517  H  HZ3  . LYS   A 1 40  ? -32.915 30.635  16.569 1.00 66.74  ? 285 LYS   A HZ3  1 
ATOM   518  N  N    . GLU   A 1 41  ? -29.043 29.767  10.627 1.00 19.53  ? 286 GLU   A N    1 
ATOM   519  C  CA   . GLU   A 1 41  ? -29.011 30.599  9.426  1.00 21.62  ? 286 GLU   A CA   1 
ATOM   520  C  C    . GLU   A 1 41  ? -29.537 29.866  8.193  1.00 23.04  ? 286 GLU   A C    1 
ATOM   521  O  O    . GLU   A 1 41  ? -29.927 30.531  7.210  1.00 26.58  ? 286 GLU   A O    1 
ATOM   522  C  CB   . GLU   A 1 41  ? -27.593 31.110  9.189  1.00 21.27  ? 286 GLU   A CB   1 
ATOM   523  C  CG   . GLU   A 1 41  ? -27.167 32.191  10.175 1.00 21.88  ? 286 GLU   A CG   1 
ATOM   524  C  CD   . GLU   A 1 41  ? -25.672 32.531  10.106 1.00 24.01  ? 286 GLU   A CD   1 
ATOM   525  O  OE1  . GLU   A 1 41  ? -24.949 31.881  9.336  1.00 26.03  ? 286 GLU   A OE1  1 
ATOM   526  O  OE2  . GLU   A 1 41  ? -25.233 33.462  10.819 1.00 24.47  ? 286 GLU   A OE2  1 
ATOM   527  H  H    . GLU   A 1 41  ? -28.271 29.561  10.945 1.00 23.46  ? 286 GLU   A H    1 
ATOM   528  H  HA   . GLU   A 1 41  ? -29.582 31.371  9.562  1.00 25.97  ? 286 GLU   A HA   1 
ATOM   529  H  HB2  . GLU   A 1 41  ? -26.974 30.368  9.275  1.00 25.55  ? 286 GLU   A HB2  1 
ATOM   530  H  HB3  . GLU   A 1 41  ? -27.541 31.484  8.296  1.00 25.55  ? 286 GLU   A HB3  1 
ATOM   531  H  HG2  . GLU   A 1 41  ? -27.664 33.002  9.984  1.00 26.29  ? 286 GLU   A HG2  1 
ATOM   532  H  HG3  . GLU   A 1 41  ? -27.360 31.887  11.075 1.00 26.29  ? 286 GLU   A HG3  1 
ATOM   533  N  N    . VAL   A 1 42  ? -29.603 28.542  8.228  1.00 21.00  ? 287 VAL   A N    1 
ATOM   534  C  CA   . VAL   A 1 42  ? -30.121 27.782  7.097  1.00 25.10  ? 287 VAL   A CA   1 
ATOM   535  C  C    . VAL   A 1 42  ? -31.415 27.083  7.493  1.00 26.09  ? 287 VAL   A C    1 
ATOM   536  O  O    . VAL   A 1 42  ? -31.778 26.050  6.911  1.00 27.81  ? 287 VAL   A O    1 
ATOM   537  C  CB   . VAL   A 1 42  ? -29.086 26.757  6.587  1.00 26.91  ? 287 VAL   A CB   1 
ATOM   538  C  CG1  . VAL   A 1 42  ? -27.848 27.484  6.038  1.00 28.75  ? 287 VAL   A CG1  1 
ATOM   539  C  CG2  . VAL   A 1 42  ? -28.689 25.790  7.680  1.00 24.87  ? 287 VAL   A CG2  1 
ATOM   540  H  H    . VAL   A 1 42  ? -29.354 28.060  8.895  1.00 25.23  ? 287 VAL   A H    1 
ATOM   541  H  HA   . VAL   A 1 42  ? -30.319 28.405  6.380  1.00 30.15  ? 287 VAL   A HA   1 
ATOM   542  H  HB   . VAL   A 1 42  ? -29.489 26.241  5.870  1.00 32.32  ? 287 VAL   A HB   1 
ATOM   543  H  HG11 . VAL   A 1 42  ? -27.223 26.827  5.694  1.00 34.52  ? 287 VAL   A HG11 1 
ATOM   544  H  HG12 . VAL   A 1 42  ? -28.124 28.083  5.327  1.00 34.52  ? 287 VAL   A HG12 1 
ATOM   545  H  HG13 . VAL   A 1 42  ? -27.436 27.990  6.756  1.00 34.52  ? 287 VAL   A HG13 1 
ATOM   546  H  HG21 . VAL   A 1 42  ? -28.054 25.150  7.321  1.00 29.87  ? 287 VAL   A HG21 1 
ATOM   547  H  HG22 . VAL   A 1 42  ? -28.284 26.285  8.408  1.00 29.87  ? 287 VAL   A HG22 1 
ATOM   548  H  HG23 . VAL   A 1 42  ? -29.481 25.327  7.995  1.00 29.87  ? 287 VAL   A HG23 1 
ATOM   549  N  N    . GLY   A 1 43  ? -32.127 27.652  8.461  1.00 23.99  ? 288 GLY   A N    1 
ATOM   550  C  CA   . GLY   A 1 43  ? -33.412 27.120  8.870  1.00 22.90  ? 288 GLY   A CA   1 
ATOM   551  C  C    . GLY   A 1 43  ? -33.339 25.723  9.459  1.00 21.28  ? 288 GLY   A C    1 
ATOM   552  O  O    . GLY   A 1 43  ? -34.239 24.904  9.229  1.00 23.70  ? 288 GLY   A O    1 
ATOM   553  H  H    . GLY   A 1 43  ? -31.884 28.351  8.899  1.00 28.82  ? 288 GLY   A H    1 
ATOM   554  H  HA2  . GLY   A 1 43  ? -33.798 27.707  9.539  1.00 27.50  ? 288 GLY   A HA2  1 
ATOM   555  H  HA3  . GLY   A 1 43  ? -34.001 27.091  8.099  1.00 27.50  ? 288 GLY   A HA3  1 
ATOM   556  N  N    . ALA   A 1 44  ? -32.296 25.435  10.236 1.00 17.22  ? 289 ALA   A N    1 
ATOM   557  C  CA   . ALA   A 1 44  ? -32.084 24.102  10.779 1.00 16.65  ? 289 ALA   A CA   1 
ATOM   558  C  C    . ALA   A 1 44  ? -31.655 24.247  12.235 1.00 16.23  ? 289 ALA   A C    1 
ATOM   559  O  O    . ALA   A 1 44  ? -31.629 25.356  12.799 1.00 16.22  ? 289 ALA   A O    1 
ATOM   560  C  CB   . ALA   A 1 44  ? -31.036 23.363  9.941  1.00 16.18  ? 289 ALA   A CB   1 
ATOM   561  H  H    . ALA   A 1 44  ? -31.693 26.004  10.463 1.00 20.53  ? 289 ALA   A H    1 
ATOM   562  H  HA   . ALA   A 1 44  ? -32.919 23.609  10.754 1.00 19.84  ? 289 ALA   A HA   1 
ATOM   563  H  HB1  . ALA   A 1 44  ? -30.912 22.472  10.304 1.00 19.28  ? 289 ALA   A HB1  1 
ATOM   564  H  HB2  . ALA   A 1 44  ? -31.348 23.306  9.024  1.00 19.28  ? 289 ALA   A HB2  1 
ATOM   565  H  HB3  . ALA   A 1 44  ? -30.200 23.854  9.976  1.00 19.28  ? 289 ALA   A HB3  1 
ATOM   566  N  N    . GLN   A 1 45  ? -31.259 23.127  12.827 1.00 17.48  ? 290 GLN   A N    1 
ATOM   567  C  CA   . GLN   A 1 45  ? -30.907 23.067  14.235 1.00 18.53  ? 290 GLN   A CA   1 
ATOM   568  C  C    . GLN   A 1 45  ? -29.694 22.169  14.422 1.00 14.22  ? 290 GLN   A C    1 
ATOM   569  O  O    . GLN   A 1 45  ? -29.633 21.088  13.857 1.00 14.03  ? 290 GLN   A O    1 
ATOM   570  C  CB   . GLN   A 1 45  ? -32.107 22.532  15.031 1.00 25.23  ? 290 GLN   A CB   1 
ATOM   571  C  CG   . GLN   A 1 45  ? -31.926 22.490  16.524 1.00 30.10  ? 290 GLN   A CG   1 
ATOM   572  C  CD   . GLN   A 1 45  ? -33.194 22.004  17.218 1.00 29.98  ? 290 GLN   A CD   1 
ATOM   573  O  OE1  . GLN   A 1 45  ? -33.579 20.835  17.088 1.00 30.03  ? 290 GLN   A OE1  1 
ATOM   574  N  NE2  . GLN   A 1 45  ? -33.861 22.902  17.916 1.00 27.63  ? 290 GLN   A NE2  1 
ATOM   575  H  H    . GLN   A 1 45  ? -31.185 22.372  12.422 1.00 21.00  ? 290 GLN   A H    1 
ATOM   576  H  HA   . GLN   A 1 45  ? -30.660 23.945  14.565 1.00 22.26  ? 290 GLN   A HA   1 
ATOM   577  H  HB2  . GLN   A 1 45  ? -32.872 23.100  14.848 1.00 30.30  ? 290 GLN   A HB2  1 
ATOM   578  H  HB3  . GLN   A 1 45  ? -32.289 21.626  14.736 1.00 30.30  ? 290 GLN   A HB3  1 
ATOM   579  H  HG2  . GLN   A 1 45  ? -31.203 21.882  16.745 1.00 36.15  ? 290 GLN   A HG2  1 
ATOM   580  H  HG3  . GLN   A 1 45  ? -31.721 23.381  16.849 1.00 36.15  ? 290 GLN   A HG3  1 
ATOM   581  H  HE21 . GLN   A 1 45  ? -33.574 23.711  17.962 1.00 33.19  ? 290 GLN   A HE21 1 
ATOM   582  H  HE22 . GLN   A 1 45  ? -34.583 22.678  18.326 1.00 33.19  ? 290 GLN   A HE22 1 
ATOM   583  N  N    . LEU   A 1 46  ? -28.735 22.606  15.230 1.00 14.34  ? 291 LEU   A N    1 
ATOM   584  C  CA   . LEU   A 1 46  ? -27.626 21.745  15.619 1.00 15.50  ? 291 LEU   A CA   1 
ATOM   585  C  C    . LEU   A 1 46  ? -28.175 20.438  16.175 1.00 14.93  ? 291 LEU   A C    1 
ATOM   586  O  O    . LEU   A 1 46  ? -29.002 20.445  17.083 1.00 15.95  ? 291 LEU   A O    1 
ATOM   587  C  CB   . LEU   A 1 46  ? -26.746 22.484  16.650 1.00 16.97  ? 291 LEU   A CB   1 
ATOM   588  C  CG   . LEU   A 1 46  ? -25.470 21.795  17.082 1.00 19.01  ? 291 LEU   A CG   1 
ATOM   589  C  CD1  . LEU   A 1 46  ? -24.530 21.537  15.898 1.00 18.77  ? 291 LEU   A CD1  1 
ATOM   590  C  CD2  . LEU   A 1 46  ? -24.744 22.575  18.176 1.00 20.87  ? 291 LEU   A CD2  1 
ATOM   591  H  H    . LEU   A 1 46  ? -28.702 23.397  15.566 1.00 17.24  ? 291 LEU   A H    1 
ATOM   592  H  HA   . LEU   A 1 46  ? -27.061 21.532  14.860 1.00 18.63  ? 291 LEU   A HA   1 
ATOM   593  H  HB2  . LEU   A 1 46  ? -26.492 23.338  16.267 1.00 20.39  ? 291 LEU   A HB2  1 
ATOM   594  H  HB3  . LEU   A 1 46  ? -27.277 22.624  17.449 1.00 20.39  ? 291 LEU   A HB3  1 
ATOM   595  H  HG   . LEU   A 1 46  ? -25.724 20.934  17.451 1.00 22.84  ? 291 LEU   A HG   1 
ATOM   596  H  HD11 . LEU   A 1 46  ? -23.685 21.199  16.234 1.00 22.55  ? 291 LEU   A HD11 1 
ATOM   597  H  HD12 . LEU   A 1 46  ? -24.937 20.883  15.308 1.00 22.55  ? 291 LEU   A HD12 1 
ATOM   598  H  HD13 . LEU   A 1 46  ? -24.387 22.369  15.420 1.00 22.55  ? 291 LEU   A HD13 1 
ATOM   599  H  HD21 . LEU   A 1 46  ? -23.955 22.080  18.446 1.00 25.07  ? 291 LEU   A HD21 1 
ATOM   600  H  HD22 . LEU   A 1 46  ? -24.486 23.443  17.826 1.00 25.07  ? 291 LEU   A HD22 1 
ATOM   601  H  HD23 . LEU   A 1 46  ? -25.340 22.687  18.932 1.00 25.07  ? 291 LEU   A HD23 1 
ATOM   602  N  N    . VAL   A 1 47  ? -27.707 19.307  15.620 1.00 12.80  ? 292 VAL   A N    1 
ATOM   603  C  CA   . VAL   A 1 47  ? -28.534 18.095  15.613 1.00 13.23  ? 292 VAL   A CA   1 
ATOM   604  C  C    . VAL   A 1 47  ? -28.935 17.665  17.022 1.00 13.35  ? 292 VAL   A C    1 
ATOM   605  O  O    . VAL   A 1 47  ? -28.091 17.525  17.929 1.00 13.06  ? 292 VAL   A O    1 
ATOM   606  C  CB   . VAL   A 1 47  ? -27.823 16.960  14.868 1.00 15.09  ? 292 VAL   A CB   1 
ATOM   607  C  CG1  . VAL   A 1 47  ? -26.489 16.541  15.530 1.00 14.55  ? 292 VAL   A CG1  1 
ATOM   608  C  CG2  . VAL   A 1 47  ? -28.761 15.725  14.742 1.00 17.54  ? 292 VAL   A CG2  1 
ATOM   609  H  H    . VAL   A 1 47  ? -26.936 19.219  15.251 1.00 15.39  ? 292 VAL   A H    1 
ATOM   610  H  HA   . VAL   A 1 47  ? -29.354 18.319  15.144 1.00 15.91  ? 292 VAL   A HA   1 
ATOM   611  H  HB   . VAL   A 1 47  ? -27.604 17.296  13.985 1.00 18.14  ? 292 VAL   A HB   1 
ATOM   612  H  HG11 . VAL   A 1 47  ? -26.041 15.898  14.959 1.00 17.49  ? 292 VAL   A HG11 1 
ATOM   613  H  HG12 . VAL   A 1 47  ? -25.932 17.327  15.643 1.00 17.49  ? 292 VAL   A HG12 1 
ATOM   614  H  HG13 . VAL   A 1 47  ? -26.677 16.142  16.394 1.00 17.49  ? 292 VAL   A HG13 1 
ATOM   615  H  HG21 . VAL   A 1 47  ? -28.369 15.093  14.119 1.00 21.08  ? 292 VAL   A HG21 1 
ATOM   616  H  HG22 . VAL   A 1 47  ? -28.858 15.312  15.614 1.00 21.08  ? 292 VAL   A HG22 1 
ATOM   617  H  HG23 . VAL   A 1 47  ? -29.626 16.017  14.416 1.00 21.08  ? 292 VAL   A HG23 1 
ATOM   618  N  N    . VAL   A 1 48  ? -30.242 17.469  17.204 1.00 13.81  ? 293 VAL   A N    1 
ATOM   619  C  CA   . VAL   A 1 48  ? -30.818 16.873  18.391 1.00 16.73  ? 293 VAL   A CA   1 
ATOM   620  C  C    . VAL   A 1 48  ? -31.236 15.459  18.038 1.00 16.32  ? 293 VAL   A C    1 
ATOM   621  O  O    . VAL   A 1 48  ? -32.043 15.262  17.118 1.00 17.53  ? 293 VAL   A O    1 
ATOM   622  C  CB   . VAL   A 1 48  ? -32.028 17.687  18.889 1.00 20.39  ? 293 VAL   A CB   1 
ATOM   623  C  CG1  . VAL   A 1 48  ? -32.808 16.922  19.928 1.00 21.78  ? 293 VAL   A CG1  1 
ATOM   624  C  CG2  . VAL   A 1 48  ? -31.561 19.059  19.394 1.00 20.50  ? 293 VAL   A CG2  1 
ATOM   625  H  H    . VAL   A 1 48  ? -30.835 17.687  16.620 1.00 16.60  ? 293 VAL   A H    1 
ATOM   626  H  HA   . VAL   A 1 48  ? -30.151 16.835  19.095 1.00 20.11  ? 293 VAL   A HA   1 
ATOM   627  H  HB   . VAL   A 1 48  ? -32.641 17.842  18.154 1.00 24.50  ? 293 VAL   A HB   1 
ATOM   628  H  HG11 . VAL   A 1 48  ? -33.391 17.536  20.401 1.00 26.17  ? 293 VAL   A HG11 1 
ATOM   629  H  HG12 . VAL   A 1 48  ? -33.336 16.238  19.487 1.00 26.17  ? 293 VAL   A HG12 1 
ATOM   630  H  HG13 . VAL   A 1 48  ? -32.187 16.510  20.550 1.00 26.17  ? 293 VAL   A HG13 1 
ATOM   631  H  HG21 . VAL   A 1 48  ? -32.332 19.567  19.690 1.00 24.63  ? 293 VAL   A HG21 1 
ATOM   632  H  HG22 . VAL   A 1 48  ? -30.946 18.931  20.133 1.00 24.63  ? 293 VAL   A HG22 1 
ATOM   633  H  HG23 . VAL   A 1 48  ? -31.115 19.527  18.670 1.00 24.63  ? 293 VAL   A HG23 1 
ATOM   634  N  N    . ILE   A 1 49  ? -30.723 14.476  18.783 1.00 16.12  ? 294 ILE   A N    1 
ATOM   635  C  CA   . ILE   A 1 49  ? -30.949 13.062  18.453 1.00 16.46  ? 294 ILE   A CA   1 
ATOM   636  C  C    . ILE   A 1 49  ? -32.187 12.558  19.190 1.00 17.06  ? 294 ILE   A C    1 
ATOM   637  O  O    . ILE   A 1 49  ? -32.292 12.711  20.415 1.00 20.12  ? 294 ILE   A O    1 
ATOM   638  C  CB   . ILE   A 1 49  ? -29.714 12.218  18.815 1.00 16.58  ? 294 ILE   A CB   1 
ATOM   639  C  CG1  . ILE   A 1 49  ? -28.457 12.820  18.191 1.00 18.48  ? 294 ILE   A CG1  1 
ATOM   640  C  CG2  . ILE   A 1 49  ? -29.866 10.791  18.324 1.00 15.68  ? 294 ILE   A CG2  1 
ATOM   641  C  CD1  . ILE   A 1 49  ? -27.167 12.066  18.499 1.00 16.86  ? 294 ILE   A CD1  1 
ATOM   642  H  H    . ILE   A 1 49  ? -30.241 14.601  19.485 1.00 19.37  ? 294 ILE   A H    1 
ATOM   643  H  HA   . ILE   A 1 49  ? -31.116 12.983  17.501 1.00 19.78  ? 294 ILE   A HA   1 
ATOM   644  H  HB   . ILE   A 1 49  ? -29.637 12.219  19.782 1.00 19.92  ? 294 ILE   A HB   1 
ATOM   645  H  HG12 . ILE   A 1 49  ? -28.566 12.830  17.227 1.00 22.21  ? 294 ILE   A HG12 1 
ATOM   646  H  HG13 . ILE   A 1 49  ? -28.352 13.725  18.523 1.00 22.21  ? 294 ILE   A HG13 1 
ATOM   647  H  HG21 . ILE   A 1 49  ? -29.177 10.242  18.730 1.00 18.84  ? 294 ILE   A HG21 1 
ATOM   648  H  HG22 . ILE   A 1 49  ? -30.743 10.462  18.576 1.00 18.84  ? 294 ILE   A HG22 1 
ATOM   649  H  HG23 . ILE   A 1 49  ? -29.773 10.778  17.358 1.00 18.84  ? 294 ILE   A HG23 1 
ATOM   650  H  HD11 . ILE   A 1 49  ? -26.410 12.617  18.243 1.00 20.26  ? 294 ILE   A HD11 1 
ATOM   651  H  HD12 . ILE   A 1 49  ? -27.131 11.876  19.449 1.00 20.26  ? 294 ILE   A HD12 1 
ATOM   652  H  HD13 . ILE   A 1 49  ? -27.158 11.237  17.995 1.00 20.26  ? 294 ILE   A HD13 1 
ATOM   653  N  N    . LYS   A 1 50  ? -33.109 11.925  18.465 1.00 14.25  ? 295 LYS   A N    1 
ATOM   654  C  CA   . LYS   A 1 50  ? -34.369 11.460  19.049 1.00 15.49  ? 295 LYS   A CA   1 
ATOM   655  C  C    . LYS   A 1 50  ? -34.514 9.939   19.108 1.00 17.31  ? 295 LYS   A C    1 
ATOM   656  O  O    . LYS   A 1 50  ? -35.457 9.453   19.748 1.00 19.28  ? 295 LYS   A O    1 
ATOM   657  C  CB   . LYS   A 1 50  ? -35.564 12.018  18.266 1.00 17.64  ? 295 LYS   A CB   1 
ATOM   658  C  CG   . LYS   A 1 50  ? -35.693 13.562  18.266 1.00 22.46  ? 295 LYS   A CG   1 
ATOM   659  C  CD   . LYS   A 1 50  ? -36.026 14.067  19.645 1.00 27.81  ? 295 LYS   A CD   1 
ATOM   660  C  CE   . LYS   A 1 50  ? -36.383 15.559  19.637 1.00 33.37  ? 295 LYS   A CE   1 
ATOM   661  N  NZ   . LYS   A 1 50  ? -36.373 16.113  21.024 1.00 35.34  ? 295 LYS   A NZ   1 
ATOM   662  H  H    . LYS   A 1 50  ? -33.028 11.752  17.626 1.00 17.13  ? 295 LYS   A H    1 
ATOM   663  H  HA   . LYS   A 1 50  ? -34.406 11.798  19.958 1.00 18.62  ? 295 LYS   A HA   1 
ATOM   664  H  HB2  . LYS   A 1 50  ? -35.483 11.735  17.342 1.00 21.19  ? 295 LYS   A HB2  1 
ATOM   665  H  HB3  . LYS   A 1 50  ? -36.378 11.659  18.653 1.00 21.19  ? 295 LYS   A HB3  1 
ATOM   666  H  HG2  . LYS   A 1 50  ? -34.853 13.958  17.987 1.00 26.98  ? 295 LYS   A HG2  1 
ATOM   667  H  HG3  . LYS   A 1 50  ? -36.403 13.828  17.661 1.00 26.98  ? 295 LYS   A HG3  1 
ATOM   668  H  HD2  . LYS   A 1 50  ? -36.787 13.575  19.991 1.00 33.40  ? 295 LYS   A HD2  1 
ATOM   669  H  HD3  . LYS   A 1 50  ? -35.258 13.943  20.225 1.00 33.40  ? 295 LYS   A HD3  1 
ATOM   670  H  HE2  . LYS   A 1 50  ? -35.733 16.045  19.106 1.00 40.07  ? 295 LYS   A HE2  1 
ATOM   671  H  HE3  . LYS   A 1 50  ? -37.271 15.677  19.264 1.00 40.07  ? 295 LYS   A HE3  1 
ATOM   672  H  HZ1  . LYS   A 1 50  ? -35.562 16.025  21.381 1.00 42.43  ? 295 LYS   A HZ1  1 
ATOM   673  H  HZ2  . LYS   A 1 50  ? -36.589 16.976  21.009 1.00 42.43  ? 295 LYS   A HZ2  1 
ATOM   674  H  HZ3  . LYS   A 1 50  ? -36.961 15.677  21.530 1.00 42.43  ? 295 LYS   A HZ3  1 
ATOM   675  N  N    . SER   A 1 51  ? -33.651 9.168   18.442 1.00 16.98  ? 296 SER   A N    1 
ATOM   676  C  CA   . SER   A 1 51  ? -33.784 7.728   18.463 1.00 16.80  ? 296 SER   A CA   1 
ATOM   677  C  C    . SER   A 1 51  ? -32.422 7.060   18.366 1.00 14.56  ? 296 SER   A C    1 
ATOM   678  O  O    . SER   A 1 51  ? -31.441 7.644   17.880 1.00 15.13  ? 296 SER   A O    1 
ATOM   679  C  CB   . SER   A 1 51  ? -34.676 7.218   17.305 1.00 19.96  ? 296 SER   A CB   1 
ATOM   680  O  OG   . SER   A 1 51  ? -33.993 7.295   16.072 1.00 19.46  ? 296 SER   A OG   1 
ATOM   681  H  H    . SER   A 1 51  ? -32.989 9.461   17.977 1.00 20.40  ? 296 SER   A H    1 
ATOM   682  H  HA   . SER   A 1 51  ? -34.180 7.484   19.314 1.00 20.18  ? 296 SER   A HA   1 
ATOM   683  H  HB2  . SER   A 1 51  ? -34.917 6.294   17.475 1.00 23.98  ? 296 SER   A HB2  1 
ATOM   684  H  HB3  . SER   A 1 51  ? -35.475 7.766   17.258 1.00 23.98  ? 296 SER   A HB3  1 
ATOM   685  H  HG   . SER   A 1 51  ? -33.785 8.092   15.908 1.00 23.37  ? 296 SER   A HG   1 
ATOM   686  N  N    . ALA   A 1 52  ? -32.381 5.788   18.794 1.00 16.89  ? 297 ALA   A N    1 
ATOM   687  C  CA   . ALA   A 1 52  ? -31.152 5.002   18.711 1.00 18.31  ? 297 ALA   A CA   1 
ATOM   688  C  C    . ALA   A 1 52  ? -30.692 4.832   17.262 1.00 17.70  ? 297 ALA   A C    1 
ATOM   689  O  O    . ALA   A 1 52  ? -29.500 4.949   16.964 1.00 17.98  ? 297 ALA   A O    1 
ATOM   690  C  CB   . ALA   A 1 52  ? -31.363 3.630   19.344 1.00 17.56  ? 297 ALA   A CB   1 
ATOM   691  H  H    . ALA   A 1 52  ? -33.047 5.362   19.133 1.00 20.29  ? 297 ALA   A H    1 
ATOM   692  H  HA   . ALA   A 1 52  ? -30.458 5.470   19.202 1.00 22.00  ? 297 ALA   A HA   1 
ATOM   693  H  HB1  . ALA   A 1 52  ? -30.553 3.107   19.241 1.00 21.10  ? 297 ALA   A HB1  1 
ATOM   694  H  HB2  . ALA   A 1 52  ? -31.565 3.745   20.286 1.00 21.10  ? 297 ALA   A HB2  1 
ATOM   695  H  HB3  . ALA   A 1 52  ? -32.102 3.187   18.898 1.00 21.10  ? 297 ALA   A HB3  1 
ATOM   696  N  N    . GLU   A 1 53  ? -31.627 4.547   16.344 1.00 14.38  ? 298 GLU   A N    1 
ATOM   697  C  CA   . GLU   A 1 53  ? -31.253 4.404   14.957 1.00 16.57  ? 298 GLU   A CA   1 
ATOM   698  C  C    . GLU   A 1 53  ? -30.642 5.689   14.418 1.00 15.91  ? 298 GLU   A C    1 
ATOM   699  O  O    . GLU   A 1 53  ? -29.689 5.660   13.616 1.00 17.12  ? 298 GLU   A O    1 
ATOM   700  C  CB   . GLU   A 1 53  ? -32.485 4.014   14.126 1.00 24.60  ? 298 GLU   A CB   1 
ATOM   701  C  CG   . GLU   A 1 53  ? -32.758 2.528   14.151 1.00 38.10  ? 298 GLU   A CG   1 
ATOM   702  C  CD   . GLU   A 1 53  ? -34.032 2.145   13.399 1.00 48.18  ? 298 GLU   A CD   1 
ATOM   703  O  OE1  . GLU   A 1 53  ? -34.561 2.994   12.647 1.00 49.11  ? 298 GLU   A OE1  1 
ATOM   704  O  OE2  . GLU   A 1 53  ? -34.493 0.991   13.571 1.00 52.94  ? 298 GLU   A OE2  1 
ATOM   705  H  H    . GLU   A 1 53  ? -32.465 4.436   16.505 1.00 17.28  ? 298 GLU   A H    1 
ATOM   706  H  HA   . GLU   A 1 53  ? -30.592 3.698   14.880 1.00 19.91  ? 298 GLU   A HA   1 
ATOM   707  H  HB2  . GLU   A 1 53  ? -33.264 4.469   14.483 1.00 29.55  ? 298 GLU   A HB2  1 
ATOM   708  H  HB3  . GLU   A 1 53  ? -32.341 4.278   13.204 1.00 29.55  ? 298 GLU   A HB3  1 
ATOM   709  H  HG2  . GLU   A 1 53  ? -32.014 2.063   13.736 1.00 45.75  ? 298 GLU   A HG2  1 
ATOM   710  H  HG3  . GLU   A 1 53  ? -32.857 2.240   15.072 1.00 45.75  ? 298 GLU   A HG3  1 
ATOM   711  N  N    . GLU   A 1 54  ? -31.193 6.826   14.816 1.00 15.14  ? 299 GLU   A N    1 
ATOM   712  C  CA   . GLU   A 1 54  ? -30.629 8.100   14.391 1.00 13.80  ? 299 GLU   A CA   1 
ATOM   713  C  C    . GLU   A 1 54  ? -29.212 8.293   14.921 1.00 12.80  ? 299 GLU   A C    1 
ATOM   714  O  O    . GLU   A 1 54  ? -28.311 8.731   14.187 1.00 12.79  ? 299 GLU   A O    1 
ATOM   715  C  CB   . GLU   A 1 54  ? -31.560 9.238   14.858 1.00 14.53  ? 299 GLU   A CB   1 
ATOM   716  C  CG   . GLU   A 1 54  ? -31.207 10.548  14.232 1.00 15.55  ? 299 GLU   A CG   1 
ATOM   717  C  CD   . GLU   A 1 54  ? -32.090 11.718  14.707 1.00 17.14  ? 299 GLU   A CD   1 
ATOM   718  O  OE1  . GLU   A 1 54  ? -31.922 12.820  14.138 1.00 18.26  ? 299 GLU   A OE1  1 
ATOM   719  O  OE2  . GLU   A 1 54  ? -32.903 11.538  15.634 1.00 17.36  ? 299 GLU   A OE2  1 
ATOM   720  H  H    . GLU   A 1 54  ? -31.883 6.891   15.325 1.00 18.20  ? 299 GLU   A H    1 
ATOM   721  H  HA   . GLU   A 1 54  ? -30.573 8.124   13.423 1.00 16.59  ? 299 GLU   A HA   1 
ATOM   722  H  HB2  . GLU   A 1 54  ? -32.473 9.022   14.614 1.00 17.46  ? 299 GLU   A HB2  1 
ATOM   723  H  HB3  . GLU   A 1 54  ? -31.487 9.333   15.821 1.00 17.46  ? 299 GLU   A HB3  1 
ATOM   724  H  HG2  . GLU   A 1 54  ? -30.287 10.763  14.453 1.00 18.68  ? 299 GLU   A HG2  1 
ATOM   725  H  HG3  . GLU   A 1 54  ? -31.309 10.472  13.271 1.00 18.68  ? 299 GLU   A HG3  1 
ATOM   726  N  N    . GLN   A 1 55  ? -28.980 7.949   16.186 1.00 12.87  ? 300 GLN   A N    1 
ATOM   727  C  CA   . GLN   A 1 55  ? -27.639 8.016   16.754 1.00 14.40  ? 300 GLN   A CA   1 
ATOM   728  C  C    . GLN   A 1 55  ? -26.670 7.149   15.979 1.00 14.98  ? 300 GLN   A C    1 
ATOM   729  O  O    . GLN   A 1 55  ? -25.543 7.577   15.672 1.00 15.96  ? 300 GLN   A O    1 
ATOM   730  C  CB   . GLN   A 1 55  ? -27.690 7.611   18.235 1.00 16.46  ? 300 GLN   A CB   1 
ATOM   731  C  CG   . GLN   A 1 55  ? -26.414 6.966   18.803 1.00 18.25  ? 300 GLN   A CG   1 
ATOM   732  C  CD   . GLN   A 1 55  ? -25.185 7.904   18.793 1.00 18.93  ? 300 GLN   A CD   1 
ATOM   733  O  OE1  . GLN   A 1 55  ? -25.288 9.139   18.682 1.00 18.16  ? 300 GLN   A OE1  1 
ATOM   734  N  NE2  . GLN   A 1 55  ? -24.010 7.301   18.923 1.00 20.10  ? 300 GLN   A NE2  1 
ATOM   735  H  H    . GLN   A 1 55  ? -29.580 7.673   16.737 1.00 15.47  ? 300 GLN   A H    1 
ATOM   736  H  HA   . GLN   A 1 55  ? -27.314 8.929   16.703 1.00 17.31  ? 300 GLN   A HA   1 
ATOM   737  H  HB2  . GLN   A 1 55  ? -27.867 8.407   18.761 1.00 19.78  ? 300 GLN   A HB2  1 
ATOM   738  H  HB3  . GLN   A 1 55  ? -28.410 6.971   18.350 1.00 19.78  ? 300 GLN   A HB3  1 
ATOM   739  H  HG2  . GLN   A 1 55  ? -26.578 6.704   19.722 1.00 21.93  ? 300 GLN   A HG2  1 
ATOM   740  H  HG3  . GLN   A 1 55  ? -26.195 6.186   18.270 1.00 21.93  ? 300 GLN   A HG3  1 
ATOM   741  H  HE21 . GLN   A 1 55  ? -23.973 6.446   19.005 1.00 24.15  ? 300 GLN   A HE21 1 
ATOM   742  H  HE22 . GLN   A 1 55  ? -23.287 7.765   18.925 1.00 24.15  ? 300 GLN   A HE22 1 
ATOM   743  N  N    . ASN   A 1 56  ? -27.076 5.911   15.650 1.00 14.83  ? 301 ASN   A N    1 
ATOM   744  C  CA   . ASN   A 1 56  ? -26.158 5.034   14.922 1.00 15.71  ? 301 ASN   A CA   1 
ATOM   745  C  C    . ASN   A 1 56  ? -25.804 5.634   13.570 1.00 15.09  ? 301 ASN   A C    1 
ATOM   746  O  O    . ASN   A 1 56  ? -24.629 5.626   13.153 1.00 14.54  ? 301 ASN   A O    1 
ATOM   747  C  CB   . ASN   A 1 56  ? -26.774 3.645   14.741 1.00 18.38  ? 301 ASN   A CB   1 
ATOM   748  C  CG   . ASN   A 1 56  ? -27.016 2.927   16.066 1.00 20.83  ? 301 ASN   A CG   1 
ATOM   749  O  OD1  . ASN   A 1 56  ? -26.423 3.267   17.099 1.00 20.76  ? 301 ASN   A OD1  1 
ATOM   750  N  ND2  . ASN   A 1 56  ? -27.894 1.934   16.044 1.00 21.84  ? 301 ASN   A ND2  1 
ATOM   751  H  H    . ASN   A 1 56  ? -27.845 5.571   15.829 1.00 17.83  ? 301 ASN   A H    1 
ATOM   752  H  HA   . ASN   A 1 56  ? -25.345 4.931   15.441 1.00 18.88  ? 301 ASN   A HA   1 
ATOM   753  H  HB2  . ASN   A 1 56  ? -27.627 3.734   14.289 1.00 22.08  ? 301 ASN   A HB2  1 
ATOM   754  H  HB3  . ASN   A 1 56  ? -26.173 3.099   14.210 1.00 22.08  ? 301 ASN   A HB3  1 
ATOM   755  H  HD21 . ASN   A 1 56  ? -28.066 1.496   16.764 1.00 26.24  ? 301 ASN   A HD21 1 
ATOM   756  H  HD22 . ASN   A 1 56  ? -28.290 1.727   15.310 1.00 26.24  ? 301 ASN   A HD22 1 
ATOM   757  N  N    . PHE   A 1 57  ? -26.811 6.185   12.881 1.00 15.69  ? 302 PHE   A N    1 
ATOM   758  C  CA   . PHE   A 1 57  ? -26.597 6.815   11.573 1.00 15.38  ? 302 PHE   A CA   1 
ATOM   759  C  C    . PHE   A 1 57  ? -25.585 7.947   11.663 1.00 16.72  ? 302 PHE   A C    1 
ATOM   760  O  O    . PHE   A 1 57  ? -24.642 8.032   10.848 1.00 17.39  ? 302 PHE   A O    1 
ATOM   761  C  CB   . PHE   A 1 57  ? -27.979 7.283   11.053 1.00 14.77  ? 302 PHE   A CB   1 
ATOM   762  C  CG   . PHE   A 1 57  ? -27.953 8.348   9.977  1.00 17.18  ? 302 PHE   A CG   1 
ATOM   763  C  CD1  . PHE   A 1 57  ? -27.653 8.029   8.662  1.00 18.01  ? 302 PHE   A CD1  1 
ATOM   764  C  CD2  . PHE   A 1 57  ? -28.313 9.662   10.277 1.00 18.57  ? 302 PHE   A CD2  1 
ATOM   765  C  CE1  . PHE   A 1 57  ? -27.661 9.023   7.667  1.00 18.23  ? 302 PHE   A CE1  1 
ATOM   766  C  CE2  . PHE   A 1 57  ? -28.334 10.663  9.287  1.00 18.79  ? 302 PHE   A CE2  1 
ATOM   767  C  CZ   . PHE   A 1 57  ? -28.004 10.332  7.986  1.00 17.96  ? 302 PHE   A CZ   1 
ATOM   768  H  H    . PHE   A 1 57  ? -27.629 6.208   13.146 1.00 18.85  ? 302 PHE   A H    1 
ATOM   769  H  HA   . PHE   A 1 57  ? -26.226 6.185   10.935 1.00 18.49  ? 302 PHE   A HA   1 
ATOM   770  H  HB2  . PHE   A 1 57  ? -28.441 6.514   10.685 1.00 17.75  ? 302 PHE   A HB2  1 
ATOM   771  H  HB3  . PHE   A 1 57  ? -28.480 7.643   11.802 1.00 17.75  ? 302 PHE   A HB3  1 
ATOM   772  H  HD1  . PHE   A 1 57  ? -27.446 7.151   8.436  1.00 21.64  ? 302 PHE   A HD1  1 
ATOM   773  H  HD2  . PHE   A 1 57  ? -28.545 9.882   11.151 1.00 22.31  ? 302 PHE   A HD2  1 
ATOM   774  H  HE1  . PHE   A 1 57  ? -27.436 8.803   6.791  1.00 21.90  ? 302 PHE   A HE1  1 
ATOM   775  H  HE2  . PHE   A 1 57  ? -28.568 11.536  9.506  1.00 22.58  ? 302 PHE   A HE2  1 
ATOM   776  H  HZ   . PHE   A 1 57  ? -28.011 10.986  7.325  1.00 21.59  ? 302 PHE   A HZ   1 
ATOM   777  N  N    . LEU   A 1 58  ? -25.761 8.849   12.633 1.00 16.07  ? 303 LEU   A N    1 
ATOM   778  C  CA   . LEU   A 1 58  ? -24.843 9.982   12.764 1.00 14.05  ? 303 LEU   A CA   1 
ATOM   779  C  C    . LEU   A 1 58  ? -23.449 9.528   13.205 1.00 13.82  ? 303 LEU   A C    1 
ATOM   780  O  O    . LEU   A 1 58  ? -22.427 10.021  12.705 1.00 13.26  ? 303 LEU   A O    1 
ATOM   781  C  CB   . LEU   A 1 58  ? -25.411 10.987  13.763 1.00 12.95  ? 303 LEU   A CB   1 
ATOM   782  C  CG   . LEU   A 1 58  ? -26.745 11.639  13.356 1.00 15.24  ? 303 LEU   A CG   1 
ATOM   783  C  CD1  . LEU   A 1 58  ? -27.432 12.295  14.539 1.00 15.99  ? 303 LEU   A CD1  1 
ATOM   784  C  CD2  . LEU   A 1 58  ? -26.551 12.631  12.233 1.00 16.00  ? 303 LEU   A CD2  1 
ATOM   785  H  H    . LEU   A 1 58  ? -26.391 8.831   13.218 1.00 19.31  ? 303 LEU   A H    1 
ATOM   786  H  HA   . LEU   A 1 58  ? -24.756 10.416  11.901 1.00 16.88  ? 303 LEU   A HA   1 
ATOM   787  H  HB2  . LEU   A 1 58  ? -25.556 10.530  14.606 1.00 15.57  ? 303 LEU   A HB2  1 
ATOM   788  H  HB3  . LEU   A 1 58  ? -24.763 11.700  13.880 1.00 15.57  ? 303 LEU   A HB3  1 
ATOM   789  H  HG   . LEU   A 1 58  ? -27.330 10.935  13.034 1.00 18.31  ? 303 LEU   A HG   1 
ATOM   790  H  HD11 . LEU   A 1 58  ? -28.257 12.707  14.237 1.00 19.22  ? 303 LEU   A HD11 1 
ATOM   791  H  HD12 . LEU   A 1 58  ? -27.626 11.619  15.207 1.00 19.22  ? 303 LEU   A HD12 1 
ATOM   792  H  HD13 . LEU   A 1 58  ? -26.844 12.970  14.912 1.00 19.22  ? 303 LEU   A HD13 1 
ATOM   793  H  HD21 . LEU   A 1 58  ? -27.397 13.069  12.049 1.00 19.23  ? 303 LEU   A HD21 1 
ATOM   794  H  HD22 . LEU   A 1 58  ? -25.891 13.288  12.503 1.00 19.23  ? 303 LEU   A HD22 1 
ATOM   795  H  HD23 . LEU   A 1 58  ? -26.244 12.158  11.444 1.00 19.23  ? 303 LEU   A HD23 1 
ATOM   796  N  N    . GLN   A 1 59  ? -23.380 8.609   14.169 1.00 14.57  ? 304 GLN   A N    1 
ATOM   797  C  CA   . GLN   A 1 59  ? -22.073 8.165   14.668 1.00 14.22  ? 304 GLN   A CA   1 
ATOM   798  C  C    . GLN   A 1 59  ? -21.259 7.487   13.571 1.00 14.94  ? 304 GLN   A C    1 
ATOM   799  O  O    . GLN   A 1 59  ? -20.034 7.648   13.499 1.00 17.93  ? 304 GLN   A O    1 
ATOM   800  C  CB   . GLN   A 1 59  ? -22.264 7.213   15.843 1.00 16.01  ? 304 GLN   A CB   1 
ATOM   801  C  CG   . GLN   A 1 59  ? -20.954 6.928   16.626 1.00 18.04  ? 304 GLN   A CG   1 
ATOM   802  C  CD   . GLN   A 1 59  ? -20.572 8.074   17.523 1.00 17.90  ? 304 GLN   A CD   1 
ATOM   803  O  OE1  . GLN   A 1 59  ? -21.367 8.504   18.342 1.00 16.95  ? 304 GLN   A OE1  1 
ATOM   804  N  NE2  . GLN   A 1 59  ? -19.313 8.545   17.418 1.00 18.08  ? 304 GLN   A NE2  1 
ATOM   805  H  H    . GLN   A 1 59  ? -24.055 8.232   14.545 1.00 17.52  ? 304 GLN   A H    1 
ATOM   806  H  HA   . GLN   A 1 59  ? -21.578 8.941   14.975 1.00 17.09  ? 304 GLN   A HA   1 
ATOM   807  H  HB2  . GLN   A 1 59  ? -22.901 7.604   16.462 1.00 19.24  ? 304 GLN   A HB2  1 
ATOM   808  H  HB3  . GLN   A 1 59  ? -22.602 6.367   15.510 1.00 19.24  ? 304 GLN   A HB3  1 
ATOM   809  H  HG2  . GLN   A 1 59  ? -21.077 6.139   17.177 1.00 21.67  ? 304 GLN   A HG2  1 
ATOM   810  H  HG3  . GLN   A 1 59  ? -20.232 6.783   15.995 1.00 21.67  ? 304 GLN   A HG3  1 
ATOM   811  H  HE21 . GLN   A 1 59  ? -18.767 8.190   16.855 1.00 21.72  ? 304 GLN   A HE21 1 
ATOM   812  H  HE22 . GLN   A 1 59  ? -19.056 9.199   17.913 1.00 21.72  ? 304 GLN   A HE22 1 
ATOM   813  N  N    . LEU   A 1 60  ? -21.911 6.706   12.730 1.00 14.97  ? 305 LEU   A N    1 
ATOM   814  C  CA   . LEU   A 1 60  ? -21.218 6.022   11.639 1.00 18.57  ? 305 LEU   A CA   1 
ATOM   815  C  C    . LEU   A 1 60  ? -20.524 7.019   10.724 1.00 16.21  ? 305 LEU   A C    1 
ATOM   816  O  O    . LEU   A 1 60  ? -19.396 6.777   10.273 1.00 17.54  ? 305 LEU   A O    1 
ATOM   817  C  CB   . LEU   A 1 60  ? -22.206 5.183   10.820 1.00 27.70  ? 305 LEU   A CB   1 
ATOM   818  C  CG   . LEU   A 1 60  ? -22.458 3.751   11.322 1.00 39.08  ? 305 LEU   A CG   1 
ATOM   819  C  CD1  . LEU   A 1 60  ? -23.786 3.200   10.812 1.00 44.48  ? 305 LEU   A CD1  1 
ATOM   820  C  CD2  . LEU   A 1 60  ? -21.292 2.857   10.910 1.00 42.53  ? 305 LEU   A CD2  1 
ATOM   821  H  H    . LEU   A 1 60  ? -22.756 6.549   12.761 1.00 17.99  ? 305 LEU   A H    1 
ATOM   822  H  HA   . LEU   A 1 60  ? -20.554 5.429   12.024 1.00 22.31  ? 305 LEU   A HA   1 
ATOM   823  H  HB2  . LEU   A 1 60  ? -23.062 5.641   10.818 1.00 33.27  ? 305 LEU   A HB2  1 
ATOM   824  H  HB3  . LEU   A 1 60  ? -21.866 5.114   9.914  1.00 33.27  ? 305 LEU   A HB3  1 
ATOM   825  H  HG   . LEU   A 1 60  ? -22.519 3.757   12.290 1.00 46.93  ? 305 LEU   A HG   1 
ATOM   826  H  HD11 . LEU   A 1 60  ? -23.920 2.311   11.176 1.00 53.40  ? 305 LEU   A HD11 1 
ATOM   827  H  HD12 . LEU   A 1 60  ? -24.503 3.787   11.101 1.00 53.40  ? 305 LEU   A HD12 1 
ATOM   828  H  HD13 . LEU   A 1 60  ? -23.761 3.161   9.843  1.00 53.40  ? 305 LEU   A HD13 1 
ATOM   829  H  HD21 . LEU   A 1 60  ? -21.474 1.948   11.197 1.00 51.07  ? 305 LEU   A HD21 1 
ATOM   830  H  HD22 . LEU   A 1 60  ? -21.198 2.886   9.945  1.00 51.07  ? 305 LEU   A HD22 1 
ATOM   831  H  HD23 . LEU   A 1 60  ? -20.481 3.181   11.332 1.00 51.07  ? 305 LEU   A HD23 1 
ATOM   832  N  N    . GLN   A 1 61  ? -21.187 8.143   10.449 1.00 14.37  ? 306 GLN   A N    1 
ATOM   833  C  CA   . GLN   A 1 61  ? -20.625 9.153   9.550  1.00 16.35  ? 306 GLN   A CA   1 
ATOM   834  C  C    . GLN   A 1 61  ? -19.443 9.883   10.206 1.00 15.74  ? 306 GLN   A C    1 
ATOM   835  O  O    . GLN   A 1 61  ? -18.420 10.137  9.561  1.00 14.91  ? 306 GLN   A O    1 
ATOM   836  C  CB   . GLN   A 1 61  ? -21.717 10.137  9.162  1.00 18.70  ? 306 GLN   A CB   1 
ATOM   837  C  CG   . GLN   A 1 61  ? -21.265 11.351  8.351  1.00 20.35  ? 306 GLN   A CG   1 
ATOM   838  C  CD   . GLN   A 1 61  ? -20.653 10.978  7.013  1.00 22.96  ? 306 GLN   A CD   1 
ATOM   839  O  OE1  . GLN   A 1 61  ? -20.674 9.823   6.578  1.00 20.75  ? 306 GLN   A OE1  1 
ATOM   840  N  NE2  . GLN   A 1 61  ? -20.090 11.978  6.344  1.00 26.90  ? 306 GLN   A NE2  1 
ATOM   841  H  H    . GLN   A 1 61  ? -21.960 8.347   10.766 1.00 17.28  ? 306 GLN   A H    1 
ATOM   842  H  HA   . GLN   A 1 61  ? -20.296 8.723   8.745  1.00 19.64  ? 306 GLN   A HA   1 
ATOM   843  H  HB2  . GLN   A 1 61  ? -22.376 9.665   8.629  1.00 22.47  ? 306 GLN   A HB2  1 
ATOM   844  H  HB3  . GLN   A 1 61  ? -22.127 10.472  9.976  1.00 22.47  ? 306 GLN   A HB3  1 
ATOM   845  H  HG2  . GLN   A 1 61  ? -22.032 11.919  8.180  1.00 24.45  ? 306 GLN   A HG2  1 
ATOM   846  H  HG3  . GLN   A 1 61  ? -20.598 11.839  8.859  1.00 24.45  ? 306 GLN   A HG3  1 
ATOM   847  H  HE21 . GLN   A 1 61  ? -20.091 12.772  6.675  1.00 32.30  ? 306 GLN   A HE21 1 
ATOM   848  H  HE22 . GLN   A 1 61  ? -19.725 11.832  5.579  1.00 32.30  ? 306 GLN   A HE22 1 
ATOM   849  N  N    . SER   A 1 62  ? -19.582 10.264  11.472 1.00 17.45  ? 307 SER   A N    1 
ATOM   850  C  CA   A SER   A 1 62  ? -18.464 10.890  12.166 0.45 20.09  ? 307 SER   A CA   1 
ATOM   851  C  CA   B SER   A 1 62  ? -18.463 10.887  12.168 0.55 20.43  ? 307 SER   A CA   1 
ATOM   852  C  C    . SER   A 1 62  ? -17.284 9.933   12.274 1.00 18.45  ? 307 SER   A C    1 
ATOM   853  O  O    . SER   A 1 62  ? -16.133 10.334  12.099 1.00 15.96  ? 307 SER   A O    1 
ATOM   854  C  CB   A SER   A 1 62  ? -18.910 11.366  13.552 0.45 26.59  ? 307 SER   A CB   1 
ATOM   855  C  CB   B SER   A 1 62  ? -18.897 11.350  13.563 0.55 27.36  ? 307 SER   A CB   1 
ATOM   856  O  OG   A SER   A 1 62  ? -19.483 10.316  14.303 0.45 30.14  ? 307 SER   A OG   1 
ATOM   857  O  OG   B SER   A 1 62  ? -17.764 11.795  14.312 0.55 31.70  ? 307 SER   A OG   1 
ATOM   858  H  H    . SER   A 1 62  ? -20.296 10.176  11.943 1.00 20.97  ? 307 SER   A H    1 
ATOM   859  H  HA   . SER   A 1 62  ? -18.173 11.667  11.664 1.00 24.54  ? 307 SER   A HA   1 
ATOM   860  H  HB2  A SER   A 1 62  ? -18.137 11.706  14.029 0.45 31.94  ? 307 SER   A HB2  1 
ATOM   861  H  HB2  B SER   A 1 62  ? -19.526 12.082  13.473 0.55 32.86  ? 307 SER   A HB2  1 
ATOM   862  H  HB3  A SER   A 1 62  ? -19.568 12.070  13.444 0.45 31.94  ? 307 SER   A HB3  1 
ATOM   863  H  HB3  B SER   A 1 62  ? -19.314 10.608  14.028 0.55 32.86  ? 307 SER   A HB3  1 
ATOM   864  H  HG   A SER   A 1 62  ? -18.920 9.704   14.417 0.45 36.20  ? 307 SER   A HG   1 
ATOM   865  H  HG   B SER   A 1 62  ? -17.419 12.464  13.940 0.55 38.06  ? 307 SER   A HG   1 
ATOM   866  N  N    . SER   A 1 63  ? -17.550 8.670   12.569 1.00 18.56  ? 308 SER   A N    1 
ATOM   867  C  CA   . SER   A 1 63  ? -16.488 7.669   12.676 1.00 22.28  ? 308 SER   A CA   1 
ATOM   868  C  C    . SER   A 1 63  ? -15.741 7.477   11.362 1.00 21.05  ? 308 SER   A C    1 
ATOM   869  O  O    . SER   A 1 63  ? -14.510 7.585   11.315 1.00 20.76  ? 308 SER   A O    1 
ATOM   870  C  CB   . SER   A 1 63  ? -17.104 6.326   13.138 1.00 27.38  ? 308 SER   A CB   1 
ATOM   871  O  OG   . SER   A 1 63  ? -16.123 5.323   13.184 1.00 30.93  ? 308 SER   A OG   1 
ATOM   872  H  H    . SER   A 1 63  ? -18.338 8.358   12.714 1.00 22.30  ? 308 SER   A H    1 
ATOM   873  H  HA   . SER   A 1 63  ? -15.843 7.974   13.333 1.00 26.76  ? 308 SER   A HA   1 
ATOM   874  H  HB2  . SER   A 1 63  ? -17.484 6.439   14.023 1.00 32.89  ? 308 SER   A HB2  1 
ATOM   875  H  HB3  . SER   A 1 63  ? -17.796 6.063   12.511 1.00 32.89  ? 308 SER   A HB3  1 
ATOM   876  H  HG   . SER   A 1 63  ? -16.461 4.604   13.458 1.00 37.15  ? 308 SER   A HG   1 
ATOM   877  N  N    . ARG   A 1 64  ? -16.475 7.212   10.280 1.00 20.71  ? 309 ARG   A N    1 
ATOM   878  C  CA   . ARG   A 1 64  ? -15.857 6.908   8.996  1.00 23.81  ? 309 ARG   A CA   1 
ATOM   879  C  C    . ARG   A 1 64  ? -15.090 8.102   8.442  1.00 21.63  ? 309 ARG   A C    1 
ATOM   880  O  O    . ARG   A 1 64  ? -14.082 7.928   7.741  1.00 21.71  ? 309 ARG   A O    1 
ATOM   881  C  CB   . ARG   A 1 64  ? -16.930 6.479   7.981  1.00 30.14  ? 309 ARG   A CB   1 
ATOM   882  C  CG   . ARG   A 1 64  ? -17.510 5.091   8.204  1.00 40.86  ? 309 ARG   A CG   1 
ATOM   883  C  CD   . ARG   A 1 64  ? -18.623 4.791   7.166  1.00 51.45  ? 309 ARG   A CD   1 
ATOM   884  N  NE   . ARG   A 1 64  ? -19.549 5.927   7.065  1.00 56.77  ? 309 ARG   A NE   1 
ATOM   885  C  CZ   . ARG   A 1 64  ? -20.882 5.842   6.993  1.00 54.80  ? 309 ARG   A CZ   1 
ATOM   886  N  NH1  . ARG   A 1 64  ? -21.486 4.652   6.988  1.00 57.37  ? 309 ARG   A NH1  1 
ATOM   887  N  NH2  . ARG   A 1 64  ? -21.611 6.962   6.931  1.00 47.59  ? 309 ARG   A NH2  1 
ATOM   888  H  H    . ARG   A 1 64  ? -17.334 7.202   10.262 1.00 24.88  ? 309 ARG   A H    1 
ATOM   889  H  HA   . ARG   A 1 64  ? -15.236 6.175   9.129  1.00 28.60  ? 309 ARG   A HA   1 
ATOM   890  H  HB2  . ARG   A 1 64  ? -17.664 7.112   8.025  1.00 36.20  ? 309 ARG   A HB2  1 
ATOM   891  H  HB3  . ARG   A 1 64  ? -16.535 6.491   7.095  1.00 36.20  ? 309 ARG   A HB3  1 
ATOM   892  H  HG2  . ARG   A 1 64  ? -16.809 4.427   8.106  1.00 49.07  ? 309 ARG   A HG2  1 
ATOM   893  H  HG3  . ARG   A 1 64  ? -17.894 5.039   9.093  1.00 49.07  ? 309 ARG   A HG3  1 
ATOM   894  H  HD2  . ARG   A 1 64  ? -18.224 4.639   6.295  1.00 61.77  ? 309 ARG   A HD2  1 
ATOM   895  H  HD3  . ARG   A 1 64  ? -19.123 4.007   7.443  1.00 61.77  ? 309 ARG   A HD3  1 
ATOM   896  H  HE   . ARG   A 1 64  ? -19.204 6.714   7.051  1.00 68.15  ? 309 ARG   A HE   1 
ATOM   897  H  HH11 . ARG   A 1 64  ? -21.018 3.932   7.032  1.00 68.88  ? 309 ARG   A HH11 1 
ATOM   898  H  HH12 . ARG   A 1 64  ? -22.344 4.605   6.942  1.00 68.88  ? 309 ARG   A HH12 1 
ATOM   899  H  HH21 . ARG   A 1 64  ? -21.222 7.729   6.938  1.00 57.13  ? 309 ARG   A HH21 1 
ATOM   900  H  HH22 . ARG   A 1 64  ? -22.469 6.915   6.885  1.00 57.13  ? 309 ARG   A HH22 1 
ATOM   901  N  N    . SER   A 1 65  ? -15.605 9.297   8.646  1.00 19.92  ? 310 SER   A N    1 
ATOM   902  C  CA   . SER   A 1 65  ? -14.955 10.503  8.134  1.00 19.59  ? 310 SER   A CA   1 
ATOM   903  C  C    . SER   A 1 65  ? -13.799 10.949  9.027  1.00 18.23  ? 310 SER   A C    1 
ATOM   904  O  O    . SER   A 1 65  ? -13.025 11.802  8.626  1.00 17.50  ? 310 SER   A O    1 
ATOM   905  C  CB   . SER   A 1 65  ? -15.978 11.633  8.008  1.00 22.42  ? 310 SER   A CB   1 
ATOM   906  O  OG   . SER   A 1 65  ? -16.351 12.122  9.292  1.00 24.97  ? 310 SER   A OG   1 
ATOM   907  H  H    . SER   A 1 65  ? -16.334 9.446   9.078  1.00 23.93  ? 310 SER   A H    1 
ATOM   908  H  HA   . SER   A 1 65  ? -14.604 10.328  7.247  1.00 23.53  ? 310 SER   A HA   1 
ATOM   909  H  HB2  . SER   A 1 65  ? -15.586 12.358  7.496  1.00 26.93  ? 310 SER   A HB2  1 
ATOM   910  H  HB3  . SER   A 1 65  ? -16.767 11.296  7.556  1.00 26.93  ? 310 SER   A HB3  1 
ATOM   911  H  HG   . SER   A 1 65  ? -16.671 11.498  9.754  1.00 29.99  ? 310 SER   A HG   1 
ATOM   912  N  N    . ASN   A 1 66  ? -13.689 10.395  10.229 1.00 18.04  ? 311 ASN   A N    1 
ATOM   913  C  CA   . ASN   A 1 66  ? -12.655 10.755  11.194 1.00 19.76  ? 311 ASN   A CA   1 
ATOM   914  C  C    . ASN   A 1 66  ? -12.741 12.250  11.512 1.00 18.51  ? 311 ASN   A C    1 
ATOM   915  O  O    . ASN   A 1 66  ? -11.736 12.960  11.529 1.00 19.81  ? 311 ASN   A O    1 
ATOM   916  C  CB   . ASN   A 1 66  ? -11.266 10.376  10.675 1.00 21.98  ? 311 ASN   A CB   1 
ATOM   917  C  CG   . ASN   A 1 66  ? -10.221 10.269  11.804 1.00 21.92  ? 311 ASN   A CG   1 
ATOM   918  O  OD1  . ASN   A 1 66  ? -10.476 10.614  12.954 1.00 20.80  ? 311 ASN   A OD1  1 
ATOM   919  N  ND2  . ASN   A 1 66  ? -9.044  9.807   11.452 1.00 21.10  ? 311 ASN   A ND2  1 
ATOM   920  H  H    . ASN   A 1 66  ? -14.222 9.786   10.520 1.00 21.68  ? 311 ASN   A H    1 
ATOM   921  H  HA   . ASN   A 1 66  ? -12.800 10.262  12.017 1.00 23.74  ? 311 ASN   A HA   1 
ATOM   922  H  HB2  . ASN   A 1 66  ? -11.317 9.516   10.231 1.00 26.41  ? 311 ASN   A HB2  1 
ATOM   923  H  HB3  . ASN   A 1 66  ? -10.965 11.055  10.051 1.00 26.41  ? 311 ASN   A HB3  1 
ATOM   924  H  HD21 . ASN   A 1 66  ? -8.421  9.725   12.039 1.00 25.35  ? 311 ASN   A HD21 1 
ATOM   925  H  HD22 . ASN   A 1 66  ? -8.896  9.586   10.634 1.00 25.35  ? 311 ASN   A HD22 1 
ATOM   926  N  N    . ARG   A 1 67  ? -13.964 12.724  11.761 1.00 16.54  ? 312 ARG   A N    1 
ATOM   927  C  CA   . ARG   A 1 67  ? -14.199 14.132  12.087 1.00 18.35  ? 312 ARG   A CA   1 
ATOM   928  C  C    . ARG   A 1 67  ? -14.819 14.259  13.467 1.00 18.19  ? 312 ARG   A C    1 
ATOM   929  O  O    . ARG   A 1 67  ? -15.892 13.691  13.719 1.00 20.50  ? 312 ARG   A O    1 
ATOM   930  C  CB   . ARG   A 1 67  ? -15.125 14.781  11.057 1.00 22.64  ? 312 ARG   A CB   1 
ATOM   931  C  CG   . ARG   A 1 67  ? -14.437 15.082  9.730  1.00 27.36  ? 312 ARG   A CG   1 
ATOM   932  C  CD   . ARG   A 1 67  ? -15.445 15.626  8.742  1.00 29.88  ? 312 ARG   A CD   1 
ATOM   933  N  NE   . ARG   A 1 67  ? -14.811 16.083  7.521  1.00 31.75  ? 312 ARG   A NE   1 
ATOM   934  C  CZ   . ARG   A 1 67  ? -15.434 16.779  6.577  1.00 38.00  ? 312 ARG   A CZ   1 
ATOM   935  N  NH1  . ARG   A 1 67  ? -16.714 17.108  6.722  1.00 40.30  ? 312 ARG   A NH1  1 
ATOM   936  N  NH2  . ARG   A 1 67  ? -14.773 17.147  5.489  1.00 42.18  ? 312 ARG   A NH2  1 
ATOM   937  H  H    . ARG   A 1 67  ? -14.677 12.243  11.747 1.00 19.88  ? 312 ARG   A H    1 
ATOM   938  H  HA   . ARG   A 1 67  ? -13.342 14.587  12.096 1.00 22.04  ? 312 ARG   A HA   1 
ATOM   939  H  HB2  . ARG   A 1 67  ? -15.866 14.181  10.879 1.00 27.19  ? 312 ARG   A HB2  1 
ATOM   940  H  HB3  . ARG   A 1 67  ? -15.456 15.619  11.417 1.00 27.19  ? 312 ARG   A HB3  1 
ATOM   941  H  HG2  . ARG   A 1 67  ? -13.743 15.746  9.864  1.00 32.86  ? 312 ARG   A HG2  1 
ATOM   942  H  HG3  . ARG   A 1 67  ? -14.054 14.268  9.368  1.00 32.86  ? 312 ARG   A HG3  1 
ATOM   943  H  HD2  . ARG   A 1 67  ? -16.078 14.927  8.513  1.00 35.88  ? 312 ARG   A HD2  1 
ATOM   944  H  HD3  . ARG   A 1 67  ? -15.911 16.377  9.142  1.00 35.88  ? 312 ARG   A HD3  1 
ATOM   945  H  HE   . ARG   A 1 67  ? -13.981 15.892  7.400  1.00 38.12  ? 312 ARG   A HE   1 
ATOM   946  H  HH11 . ARG   A 1 67  ? -17.142 16.870  7.429  1.00 48.38  ? 312 ARG   A HH11 1 
ATOM   947  H  HH12 . ARG   A 1 67  ? -17.114 17.558  6.108  1.00 48.38  ? 312 ARG   A HH12 1 
ATOM   948  H  HH21 . ARG   A 1 67  ? -13.945 16.935  5.397  1.00 50.64  ? 312 ARG   A HH21 1 
ATOM   949  H  HH22 . ARG   A 1 67  ? -15.173 17.598  4.875  1.00 50.64  ? 312 ARG   A HH22 1 
ATOM   950  N  N    . PHE   A 1 68  ? -14.163 15.016  14.351 1.00 15.49  ? 313 PHE   A N    1 
ATOM   951  C  CA   . PHE   A 1 68  ? -14.768 15.375  15.632 1.00 16.23  ? 313 PHE   A CA   1 
ATOM   952  C  C    . PHE   A 1 68  ? -15.846 16.426  15.398 1.00 16.11  ? 313 PHE   A C    1 
ATOM   953  O  O    . PHE   A 1 68  ? -15.576 17.465  14.793 1.00 17.42  ? 313 PHE   A O    1 
ATOM   954  C  CB   . PHE   A 1 68  ? -13.687 15.885  16.583 1.00 18.84  ? 313 PHE   A CB   1 
ATOM   955  C  CG   . PHE   A 1 68  ? -12.610 14.865  16.882 1.00 22.59  ? 313 PHE   A CG   1 
ATOM   956  C  CD1  . PHE   A 1 68  ? -12.902 13.733  17.603 1.00 22.92  ? 313 PHE   A CD1  1 
ATOM   957  C  CD2  . PHE   A 1 68  ? -11.321 15.051  16.434 1.00 26.02  ? 313 PHE   A CD2  1 
ATOM   958  C  CE1  . PHE   A 1 68  ? -11.909 12.770  17.891 1.00 25.57  ? 313 PHE   A CE1  1 
ATOM   959  C  CE2  . PHE   A 1 68  ? -10.328 14.095  16.697 1.00 29.26  ? 313 PHE   A CE2  1 
ATOM   960  C  CZ   . PHE   A 1 68  ? -10.636 12.963  17.437 1.00 28.26  ? 313 PHE   A CZ   1 
ATOM   961  H  H    . PHE   A 1 68  ? -13.371 15.331  14.233 1.00 18.61  ? 313 PHE   A H    1 
ATOM   962  H  HA   . PHE   A 1 68  ? -15.184 14.600  16.042 1.00 19.50  ? 313 PHE   A HA   1 
ATOM   963  H  HB2  . PHE   A 1 68  ? -13.260 16.659  16.183 1.00 22.64  ? 313 PHE   A HB2  1 
ATOM   964  H  HB3  . PHE   A 1 68  ? -14.103 16.133  17.423 1.00 22.64  ? 313 PHE   A HB3  1 
ATOM   965  H  HD1  . PHE   A 1 68  ? -13.771 13.599  17.907 1.00 27.54  ? 313 PHE   A HD1  1 
ATOM   966  H  HD2  . PHE   A 1 68  ? -11.107 15.817  15.952 1.00 31.25  ? 313 PHE   A HD2  1 
ATOM   967  H  HE1  . PHE   A 1 68  ? -12.121 12.011  18.386 1.00 30.71  ? 313 PHE   A HE1  1 
ATOM   968  H  HE2  . PHE   A 1 68  ? -9.464  14.221  16.377 1.00 35.14  ? 313 PHE   A HE2  1 
ATOM   969  H  HZ   . PHE   A 1 68  ? -9.976  12.335  17.623 1.00 33.94  ? 313 PHE   A HZ   1 
ATOM   970  N  N    . THR   A 1 69  ? -17.077 16.160  15.863 1.00 16.07  ? 314 THR   A N    1 
ATOM   971  C  CA   . THR   A 1 69  ? -18.239 16.879  15.366 1.00 14.79  ? 314 THR   A CA   1 
ATOM   972  C  C    . THR   A 1 69  ? -19.201 17.225  16.480 1.00 14.30  ? 314 THR   A C    1 
ATOM   973  O  O    . THR   A 1 69  ? -19.607 16.342  17.235 1.00 14.29  ? 314 THR   A O    1 
ATOM   974  C  CB   . THR   A 1 69  ? -18.972 16.043  14.319 1.00 14.83  ? 314 THR   A CB   1 
ATOM   975  O  OG1  . THR   A 1 69  ? -18.074 15.723  13.243 1.00 14.83  ? 314 THR   A OG1  1 
ATOM   976  C  CG2  . THR   A 1 69  ? -20.169 16.803  13.774 1.00 15.10  ? 314 THR   A CG2  1 
ATOM   977  H  H    . THR   A 1 69  ? -17.253 15.569  16.462 1.00 19.32  ? 314 THR   A H    1 
ATOM   978  H  HA   . THR   A 1 69  ? -17.932 17.716  14.984 1.00 17.77  ? 314 THR   A HA   1 
ATOM   979  H  HB   . THR   A 1 69  ? -19.292 15.223  14.725 1.00 17.82  ? 314 THR   A HB   1 
ATOM   980  H  HG1  . THR   A 1 69  ? -17.451 15.234  13.524 1.00 17.83  ? 314 THR   A HG1  1 
ATOM   981  H  HG21 . THR   A 1 69  ? -20.476 16.392  12.951 1.00 18.15  ? 314 THR   A HG21 1 
ATOM   982  H  HG22 . THR   A 1 69  ? -20.892 16.790  14.421 1.00 18.15  ? 314 THR   A HG22 1 
ATOM   983  H  HG23 . THR   A 1 69  ? -19.924 17.724  13.594 1.00 18.15  ? 314 THR   A HG23 1 
ATOM   984  N  N    . TRP   A 1 70  ? -19.567 18.508  16.570 1.00 14.11  ? 315 TRP   A N    1 
ATOM   985  C  CA   . TRP   A 1 70  ? -20.523 18.939  17.604 1.00 13.89  ? 315 TRP   A CA   1 
ATOM   986  C  C    . TRP   A 1 70  ? -21.923 18.390  17.348 1.00 13.84  ? 315 TRP   A C    1 
ATOM   987  O  O    . TRP   A 1 70  ? -22.369 18.309  16.203 1.00 14.41  ? 315 TRP   A O    1 
ATOM   988  C  CB   . TRP   A 1 70  ? -20.653 20.479  17.639 1.00 13.72  ? 315 TRP   A CB   1 
ATOM   989  C  CG   . TRP   A 1 70  ? -19.466 21.238  18.119 1.00 15.90  ? 315 TRP   A CG   1 
ATOM   990  C  CD1  . TRP   A 1 70  ? -18.827 22.249  17.458 1.00 18.01  ? 315 TRP   A CD1  1 
ATOM   991  C  CD2  . TRP   A 1 70  ? -18.820 21.107  19.370 1.00 16.45  ? 315 TRP   A CD2  1 
ATOM   992  N  NE1  . TRP   A 1 70  ? -17.803 22.735  18.222 1.00 17.75  ? 315 TRP   A NE1  1 
ATOM   993  C  CE2  . TRP   A 1 70  ? -17.774 22.052  19.402 1.00 17.06  ? 315 TRP   A CE2  1 
ATOM   994  C  CE3  . TRP   A 1 70  ? -19.000 20.266  20.468 1.00 17.45  ? 315 TRP   A CE3  1 
ATOM   995  C  CZ2  . TRP   A 1 70  ? -16.925 22.192  20.493 1.00 17.87  ? 315 TRP   A CZ2  1 
ATOM   996  C  CZ3  . TRP   A 1 70  ? -18.133 20.405  21.548 1.00 18.52  ? 315 TRP   A CZ3  1 
ATOM   997  C  CH2  . TRP   A 1 70  ? -17.123 21.345  21.552 1.00 18.28  ? 315 TRP   A CH2  1 
ATOM   998  H  H    . TRP   A 1 70  ? -19.285 19.139  16.057 1.00 16.80  ? 315 TRP   A H    1 
ATOM   999  H  HA   . TRP   A 1 70  ? -20.188 18.609  18.452 1.00 16.52  ? 315 TRP   A HA   1 
ATOM   1000 H  HB2  . TRP   A 1 70  ? -20.840 20.786  16.738 1.00 16.32  ? 315 TRP   A HB2  1 
ATOM   1001 H  HB3  . TRP   A 1 70  ? -21.391 20.706  18.227 1.00 16.32  ? 315 TRP   A HB3  1 
ATOM   1002 H  HD1  . TRP   A 1 70  ? -19.055 22.561  16.612 1.00 21.64  ? 315 TRP   A HD1  1 
ATOM   1003 H  HE1  . TRP   A 1 70  ? -17.266 23.367  17.995 1.00 21.33  ? 315 TRP   A HE1  1 
ATOM   1004 H  HE3  . TRP   A 1 70  ? -19.679 19.630  20.479 1.00 20.97  ? 315 TRP   A HE3  1 
ATOM   1005 H  HZ2  . TRP   A 1 70  ? -16.251 22.834  20.504 1.00 21.47  ? 315 TRP   A HZ2  1 
ATOM   1006 H  HZ3  . TRP   A 1 70  ? -18.238 19.850  22.287 1.00 22.25  ? 315 TRP   A HZ3  1 
ATOM   1007 H  HH2  . TRP   A 1 70  ? -16.562 21.404  22.291 1.00 21.97  ? 315 TRP   A HH2  1 
ATOM   1008 N  N    . MET   A 1 71  ? -22.647 18.119  18.435 1.00 13.63  ? 316 MET   A N    1 
ATOM   1009 C  CA   . MET   A 1 71  ? -24.089 17.926  18.427 1.00 13.69  ? 316 MET   A CA   1 
ATOM   1010 C  C    . MET   A 1 71  ? -24.758 18.945  19.339 1.00 13.73  ? 316 MET   A C    1 
ATOM   1011 O  O    . MET   A 1 71  ? -24.106 19.670  20.111 1.00 13.21  ? 316 MET   A O    1 
ATOM   1012 C  CB   . MET   A 1 71  ? -24.455 16.482  18.856 1.00 15.18  ? 316 MET   A CB   1 
ATOM   1013 C  CG   . MET   A 1 71  ? -24.343 16.234  20.352 1.00 15.49  ? 316 MET   A CG   1 
ATOM   1014 S  SD   . MET   A 1 71  ? -24.559 14.474  20.770 1.00 16.78  ? 316 MET   A SD   1 
ATOM   1015 C  CE   . MET   A 1 71  ? -22.935 13.878  20.331 1.00 20.18  ? 316 MET   A CE   1 
ATOM   1016 H  H    . MET   A 1 71  ? -22.305 18.041  19.220 1.00 16.22  ? 316 MET   A H    1 
ATOM   1017 H  HA   . MET   A 1 71  ? -24.421 18.060  17.525 1.00 16.46  ? 316 MET   A HA   1 
ATOM   1018 H  HB2  . MET   A 1 71  ? -25.372 16.303  18.594 1.00 18.25  ? 316 MET   A HB2  1 
ATOM   1019 H  HB3  . MET   A 1 71  ? -23.856 15.863  18.409 1.00 18.25  ? 316 MET   A HB3  1 
ATOM   1020 H  HG2  . MET   A 1 71  ? -23.466 16.513  20.657 1.00 18.62  ? 316 MET   A HG2  1 
ATOM   1021 H  HG3  . MET   A 1 71  ? -25.031 16.742  20.812 1.00 18.62  ? 316 MET   A HG3  1 
ATOM   1022 H  HE1  . MET   A 1 71  ? -22.896 12.922  20.489 1.00 24.24  ? 316 MET   A HE1  1 
ATOM   1023 H  HE2  . MET   A 1 71  ? -22.773 14.064  19.393 1.00 24.24  ? 316 MET   A HE2  1 
ATOM   1024 H  HE3  . MET   A 1 71  ? -22.274 14.331  20.877 1.00 24.24  ? 316 MET   A HE3  1 
ATOM   1025 N  N    . GLY   A 1 72  ? -26.090 19.007  19.280 1.00 16.55  ? 317 GLY   A N    1 
ATOM   1026 C  CA   . GLY   A 1 72  ? -26.814 20.016  20.034 1.00 18.64  ? 317 GLY   A CA   1 
ATOM   1027 C  C    . GLY   A 1 72  ? -27.119 19.607  21.472 1.00 17.86  ? 317 GLY   A C    1 
ATOM   1028 O  O    . GLY   A 1 72  ? -28.296 19.515  21.861 1.00 17.74  ? 317 GLY   A O    1 
ATOM   1029 H  H    . GLY   A 1 72  ? -26.587 18.480  18.816 1.00 19.89  ? 317 GLY   A H    1 
ATOM   1030 H  HA2  . GLY   A 1 72  ? -26.288 20.831  20.058 1.00 22.40  ? 317 GLY   A HA2  1 
ATOM   1031 H  HA3  . GLY   A 1 72  ? -27.657 20.199  19.589 1.00 22.40  ? 317 GLY   A HA3  1 
ATOM   1032 N  N    . LEU   A 1 73  ? -26.079 19.397  22.274 1.00 15.39  ? 318 LEU   A N    1 
ATOM   1033 C  CA   . LEU   A 1 73  ? -26.233 18.899  23.646 1.00 14.20  ? 318 LEU   A CA   1 
ATOM   1034 C  C    . LEU   A 1 73  ? -25.172 19.517  24.537 1.00 14.22  ? 318 LEU   A C    1 
ATOM   1035 O  O    . LEU   A 1 73  ? -24.000 19.535  24.152 1.00 14.09  ? 318 LEU   A O    1 
ATOM   1036 C  CB   . LEU   A 1 73  ? -26.102 17.371  23.628 1.00 16.09  ? 318 LEU   A CB   1 
ATOM   1037 C  CG   . LEU   A 1 73  ? -26.217 16.612  24.956 1.00 17.80  ? 318 LEU   A CG   1 
ATOM   1038 C  CD1  . LEU   A 1 73  ? -27.655 16.691  25.440 1.00 16.21  ? 318 LEU   A CD1  1 
ATOM   1039 C  CD2  . LEU   A 1 73  ? -25.769 15.167  24.741 1.00 19.94  ? 318 LEU   A CD2  1 
ATOM   1040 H  H    . LEU   A 1 73  ? -25.261 19.537  22.047 1.00 18.49  ? 318 LEU   A H    1 
ATOM   1041 H  HA   . LEU   A 1 73  ? -27.093 19.158  24.012 1.00 17.07  ? 318 LEU   A HA   1 
ATOM   1042 H  HB2  . LEU   A 1 73  ? -26.800 17.024  23.050 1.00 19.34  ? 318 LEU   A HB2  1 
ATOM   1043 H  HB3  . LEU   A 1 73  ? -25.231 17.156  23.261 1.00 19.34  ? 318 LEU   A HB3  1 
ATOM   1044 H  HG   . LEU   A 1 73  ? -25.650 16.999  25.641 1.00 21.39  ? 318 LEU   A HG   1 
ATOM   1045 H  HD11 . LEU   A 1 73  ? -27.676 16.521  26.395 1.00 19.49  ? 318 LEU   A HD11 1 
ATOM   1046 H  HD12 . LEU   A 1 73  ? -28.002 17.577  25.254 1.00 19.49  ? 318 LEU   A HD12 1 
ATOM   1047 H  HD13 . LEU   A 1 73  ? -28.182 16.024  24.974 1.00 19.49  ? 318 LEU   A HD13 1 
ATOM   1048 H  HD21 . LEU   A 1 73  ? -25.869 14.678  25.573 1.00 23.96  ? 318 LEU   A HD21 1 
ATOM   1049 H  HD22 . LEU   A 1 73  ? -26.321 14.764  24.053 1.00 23.96  ? 318 LEU   A HD22 1 
ATOM   1050 H  HD23 . LEU   A 1 73  ? -24.839 15.163  24.465 1.00 23.96  ? 318 LEU   A HD23 1 
ATOM   1051 N  N    . SER   A 1 74  ? -25.575 19.990  25.732 1.00 15.28  ? 319 SER   A N    1 
ATOM   1052 C  CA   . SER   A 1 74  ? -24.642 20.630  26.643 1.00 18.12  ? 319 SER   A CA   1 
ATOM   1053 C  C    . SER   A 1 74  ? -25.101 20.468  28.089 1.00 16.66  ? 319 SER   A C    1 
ATOM   1054 O  O    . SER   A 1 74  ? -26.263 20.120  28.370 1.00 18.34  ? 319 SER   A O    1 
ATOM   1055 C  CB   . SER   A 1 74  ? -24.498 22.139  26.337 1.00 22.04  ? 319 SER   A CB   1 
ATOM   1056 O  OG   . SER   A 1 74  ? -25.606 22.886  26.863 1.00 22.47  ? 319 SER   A OG   1 
ATOM   1057 H  H    . SER   A 1 74  ? -26.382 19.947  26.025 1.00 18.36  ? 319 SER   A H    1 
ATOM   1058 H  HA   . SER   A 1 74  ? -23.785 20.186  26.545 1.00 21.77  ? 319 SER   A HA   1 
ATOM   1059 H  HB2  . SER   A 1 74  ? -23.679 22.464  26.742 1.00 26.47  ? 319 SER   A HB2  1 
ATOM   1060 H  HB3  . SER   A 1 74  ? -24.465 22.262  25.375 1.00 26.47  ? 319 SER   A HB3  1 
ATOM   1061 H  HG   . SER   A 1 74  ? -26.323 22.621  26.515 1.00 26.99  ? 319 SER   A HG   1 
ATOM   1062 N  N    . ASP   A 1 75  ? -24.152 20.684  29.015 1.00 16.92  ? 320 ASP   A N    1 
ATOM   1063 C  CA   . ASP   A 1 75  ? -24.479 20.864  30.439 1.00 18.65  ? 320 ASP   A CA   1 
ATOM   1064 C  C    . ASP   A 1 75  ? -24.022 22.255  30.901 1.00 22.42  ? 320 ASP   A C    1 
ATOM   1065 O  O    . ASP   A 1 75  ? -23.562 22.455  32.035 1.00 22.77  ? 320 ASP   A O    1 
ATOM   1066 C  CB   . ASP   A 1 75  ? -23.893 19.754  31.314 1.00 18.84  ? 320 ASP   A CB   1 
ATOM   1067 C  CG   . ASP   A 1 75  ? -22.374 19.824  31.460 1.00 19.89  ? 320 ASP   A CG   1 
ATOM   1068 O  OD1  . ASP   A 1 75  ? -21.720 20.502  30.675 1.00 21.14  ? 320 ASP   A OD1  1 
ATOM   1069 O  OD2  . ASP   A 1 75  ? -21.820 19.170  32.384 1.00 20.65  ? 320 ASP   A OD2  1 
ATOM   1070 H  H    . ASP   A 1 75  ? -23.312 20.729  28.838 1.00 20.33  ? 320 ASP   A H    1 
ATOM   1071 H  HA   . ASP   A 1 75  ? -25.441 20.804  30.547 1.00 22.41  ? 320 ASP   A HA   1 
ATOM   1072 H  HB2  . ASP   A 1 75  ? -24.279 19.820  32.202 1.00 22.63  ? 320 ASP   A HB2  1 
ATOM   1073 H  HB3  . ASP   A 1 75  ? -24.113 18.896  30.920 1.00 22.63  ? 320 ASP   A HB3  1 
ATOM   1074 N  N    . LEU   A 1 76  ? -24.156 23.230  30.010 1.00 28.56  ? 321 LEU   A N    1 
ATOM   1075 C  CA   . LEU   A 1 76  ? -23.732 24.599  30.324 1.00 27.41  ? 321 LEU   A CA   1 
ATOM   1076 C  C    . LEU   A 1 76  ? -24.543 25.207  31.458 1.00 27.94  ? 321 LEU   A C    1 
ATOM   1077 O  O    . LEU   A 1 76  ? -23.986 25.875  32.343 1.00 29.22  ? 321 LEU   A O    1 
ATOM   1078 C  CB   . LEU   A 1 76  ? -23.858 25.462  29.075 1.00 24.67  ? 321 LEU   A CB   1 
ATOM   1079 C  CG   . LEU   A 1 76  ? -22.739 25.288  28.072 1.00 23.81  ? 321 LEU   A CG   1 
ATOM   1080 C  CD1  . LEU   A 1 76  ? -23.235 25.757  26.704 1.00 23.68  ? 321 LEU   A CD1  1 
ATOM   1081 C  CD2  . LEU   A 1 76  ? -21.528 26.086  28.496 1.00 25.05  ? 321 LEU   A CD2  1 
ATOM   1082 H  H    . LEU   A 1 76  ? -24.485 23.136  29.221 1.00 34.30  ? 321 LEU   A H    1 
ATOM   1083 H  HA   . LEU   A 1 76  ? -22.805 24.575  30.609 1.00 32.92  ? 321 LEU   A HA   1 
ATOM   1084 H  HB2  . LEU   A 1 76  ? -24.689 25.237  28.629 1.00 29.63  ? 321 LEU   A HB2  1 
ATOM   1085 H  HB3  . LEU   A 1 76  ? -23.868 26.393  29.345 1.00 29.63  ? 321 LEU   A HB3  1 
ATOM   1086 H  HG   . LEU   A 1 76  ? -22.474 24.357  28.018 1.00 28.60  ? 321 LEU   A HG   1 
ATOM   1087 H  HD11 . LEU   A 1 76  ? -22.525 25.641  26.054 1.00 28.44  ? 321 LEU   A HD11 1 
ATOM   1088 H  HD12 . LEU   A 1 76  ? -24.007 25.228  26.450 1.00 28.44  ? 321 LEU   A HD12 1 
ATOM   1089 H  HD13 . LEU   A 1 76  ? -23.480 26.694  26.761 1.00 28.44  ? 321 LEU   A HD13 1 
ATOM   1090 H  HD21 . LEU   A 1 76  ? -20.818 25.950  27.848 1.00 30.09  ? 321 LEU   A HD21 1 
ATOM   1091 H  HD22 . LEU   A 1 76  ? -21.766 27.025  28.534 1.00 30.09  ? 321 LEU   A HD22 1 
ATOM   1092 H  HD23 . LEU   A 1 76  ? -21.240 25.782  29.371 1.00 30.09  ? 321 LEU   A HD23 1 
ATOM   1093 N  N    . ASN   A 1 77  ? -25.863 25.018  31.442 1.00 26.70  ? 322 ASN   A N    1 
ATOM   1094 C  CA   . ASN   A 1 77  ? -26.696 25.681  32.451 1.00 34.59  ? 322 ASN   A CA   1 
ATOM   1095 C  C    . ASN   A 1 77  ? -26.514 25.063  33.837 1.00 31.55  ? 322 ASN   A C    1 
ATOM   1096 O  O    . ASN   A 1 77  ? -26.498 25.778  34.845 1.00 29.27  ? 322 ASN   A O    1 
ATOM   1097 C  CB   . ASN   A 1 77  ? -28.170 25.639  32.035 1.00 44.62  ? 322 ASN   A CB   1 
ATOM   1098 C  CG   . ASN   A 1 77  ? -28.482 26.598  30.884 1.00 54.38  ? 322 ASN   A CG   1 
ATOM   1099 O  OD1  . ASN   A 1 77  ? -27.741 27.560  30.628 1.00 58.32  ? 322 ASN   A OD1  1 
ATOM   1100 N  ND2  . ASN   A 1 77  ? -29.591 26.344  30.186 1.00 57.60  ? 322 ASN   A ND2  1 
ATOM   1101 H  H    . ASN   A 1 77  ? -26.291 24.528  30.879 1.00 32.07  ? 322 ASN   A H    1 
ATOM   1102 H  HA   . ASN   A 1 77  ? -26.423 26.610  32.505 1.00 41.54  ? 322 ASN   A HA   1 
ATOM   1103 H  HB2  . ASN   A 1 77  ? -28.392 24.740  31.746 1.00 53.57  ? 322 ASN   A HB2  1 
ATOM   1104 H  HB3  . ASN   A 1 77  ? -28.721 25.889  32.793 1.00 53.57  ? 322 ASN   A HB3  1 
ATOM   1105 H  HD21 . ASN   A 1 77  ? -30.085 25.671  30.394 1.00 69.15  ? 322 ASN   A HD21 1 
ATOM   1106 H  HD22 . ASN   A 1 77  ? -29.812 26.853  29.529 1.00 69.15  ? 322 ASN   A HD22 1 
ATOM   1107 N  N    . GLN   A 1 78  ? -26.389 23.737  33.921 1.00 29.55  ? 323 GLN   A N    1 
ATOM   1108 C  CA   . GLN   A 1 78  ? -26.197 23.079  35.208 1.00 31.11  ? 323 GLN   A CA   1 
ATOM   1109 C  C    . GLN   A 1 78  ? -25.231 21.913  35.015 1.00 27.63  ? 323 GLN   A C    1 
ATOM   1110 O  O    . GLN   A 1 78  ? -25.583 20.928  34.360 1.00 26.26  ? 323 GLN   A O    1 
ATOM   1111 C  CB   . GLN   A 1 78  ? -27.536 22.595  35.765 1.00 40.87  ? 323 GLN   A CB   1 
ATOM   1112 C  CG   . GLN   A 1 78  ? -27.567 22.486  37.274 1.00 51.34  ? 323 GLN   A CG   1 
ATOM   1113 C  CD   . GLN   A 1 78  ? -28.964 22.185  37.785 1.00 57.97  ? 323 GLN   A CD   1 
ATOM   1114 O  OE1  . GLN   A 1 78  ? -29.608 23.019  38.424 1.00 60.92  ? 323 GLN   A OE1  1 
ATOM   1115 N  NE2  . GLN   A 1 78  ? -29.419 20.958  37.545 1.00 58.61  ? 323 GLN   A NE2  1 
ATOM   1116 H  H    . GLN   A 1 78  ? -26.413 23.203  33.247 1.00 35.48  ? 323 GLN   A H    1 
ATOM   1117 H  HA   . GLN   A 1 78  ? -25.796 23.698  35.838 1.00 37.35  ? 323 GLN   A HA   1 
ATOM   1118 H  HB2  . GLN   A 1 78  ? -28.228 23.219  35.499 1.00 49.07  ? 323 GLN   A HB2  1 
ATOM   1119 H  HB3  . GLN   A 1 78  ? -27.724 21.715  35.402 1.00 49.07  ? 323 GLN   A HB3  1 
ATOM   1120 H  HG2  . GLN   A 1 78  ? -26.978 21.769  37.557 1.00 61.64  ? 323 GLN   A HG2  1 
ATOM   1121 H  HG3  . GLN   A 1 78  ? -27.276 23.327  37.662 1.00 61.64  ? 323 GLN   A HG3  1 
ATOM   1122 H  HE21 . GLN   A 1 78  ? -28.928 20.392  37.122 1.00 70.37  ? 323 GLN   A HE21 1 
ATOM   1123 H  HE22 . GLN   A 1 78  ? -30.204 20.731  37.811 1.00 70.37  ? 323 GLN   A HE22 1 
ATOM   1124 N  N    . GLU   A 1 79  ? -24.023 22.028  35.568 1.00 29.31  ? 324 GLU   A N    1 
ATOM   1125 C  CA   . GLU   A 1 79  ? -23.004 20.997  35.410 1.00 29.48  ? 324 GLU   A CA   1 
ATOM   1126 C  C    . GLU   A 1 79  ? -23.546 19.634  35.806 1.00 26.02  ? 324 GLU   A C    1 
ATOM   1127 O  O    . GLU   A 1 79  ? -24.111 19.469  36.895 1.00 25.82  ? 324 GLU   A O    1 
ATOM   1128 C  CB   . GLU   A 1 79  ? -21.774 21.349  36.270 1.00 30.71  ? 324 GLU   A CB   1 
ATOM   1129 C  CG   . GLU   A 1 79  ? -20.653 20.303  36.246 1.00 28.13  ? 324 GLU   A CG   1 
ATOM   1130 C  CD   . GLU   A 1 79  ? -20.050 20.113  34.851 1.00 24.05  ? 324 GLU   A CD   1 
ATOM   1131 O  OE1  . GLU   A 1 79  ? -19.980 21.109  34.100 1.00 21.52  ? 324 GLU   A OE1  1 
ATOM   1132 O  OE2  . GLU   A 1 79  ? -19.668 18.964  34.514 1.00 22.30  ? 324 GLU   A OE2  1 
ATOM   1133 H  H    . GLU   A 1 79  ? -23.768 22.698  36.043 1.00 35.20  ? 324 GLU   A H    1 
ATOM   1134 H  HA   . GLU   A 1 79  ? -22.731 20.956  34.480 1.00 35.40  ? 324 GLU   A HA   1 
ATOM   1135 H  HB2  . GLU   A 1 79  ? -21.401 22.184  35.947 1.00 36.88  ? 324 GLU   A HB2  1 
ATOM   1136 H  HB3  . GLU   A 1 79  ? -22.061 21.448  37.191 1.00 36.88  ? 324 GLU   A HB3  1 
ATOM   1137 H  HG2  . GLU   A 1 79  ? -19.943 20.587  36.843 1.00 33.79  ? 324 GLU   A HG2  1 
ATOM   1138 H  HG3  . GLU   A 1 79  ? -21.010 19.450  36.537 1.00 33.79  ? 324 GLU   A HG3  1 
ATOM   1139 N  N    . GLY   A 1 80  ? -23.344 18.646  34.923 1.00 21.87  ? 325 GLY   A N    1 
ATOM   1140 C  CA   . GLY   A 1 80  ? -23.816 17.292  35.158 1.00 22.03  ? 325 GLY   A CA   1 
ATOM   1141 C  C    . GLY   A 1 80  ? -25.223 17.005  34.657 1.00 25.82  ? 325 GLY   A C    1 
ATOM   1142 O  O    . GLY   A 1 80  ? -25.604 15.835  34.571 1.00 25.39  ? 325 GLY   A O    1 
ATOM   1143 H  H    . GLY   A 1 80  ? -22.931 18.746  34.175 1.00 26.10  ? 325 GLY   A H    1 
ATOM   1144 H  HA2  . GLY   A 1 80  ? -23.214 16.673  34.716 1.00 26.30  ? 325 GLY   A HA2  1 
ATOM   1145 H  HA3  . GLY   A 1 80  ? -23.802 17.120  36.112 1.00 26.30  ? 325 GLY   A HA3  1 
ATOM   1146 N  N    . THR   A 1 81  ? -26.010 18.030  34.333 1.00 29.65  ? 326 THR   A N    1 
ATOM   1147 C  CA   . THR   A 1 81  ? -27.351 17.850  33.775 1.00 30.76  ? 326 THR   A CA   1 
ATOM   1148 C  C    . THR   A 1 81  ? -27.289 18.170  32.281 1.00 26.05  ? 326 THR   A C    1 
ATOM   1149 O  O    . THR   A 1 81  ? -27.124 19.338  31.890 1.00 23.49  ? 326 THR   A O    1 
ATOM   1150 C  CB   . THR   A 1 81  ? -28.366 18.731  34.488 1.00 34.34  ? 326 THR   A CB   1 
ATOM   1151 O  OG1  . THR   A 1 81  ? -28.417 18.363  35.877 1.00 34.78  ? 326 THR   A OG1  1 
ATOM   1152 C  CG2  . THR   A 1 81  ? -29.745 18.553  33.874 1.00 37.41  ? 326 THR   A CG2  1 
ATOM   1153 H  H    . THR   A 1 81  ? -25.783 18.853  34.430 1.00 35.61  ? 326 THR   A H    1 
ATOM   1154 H  HA   . THR   A 1 81  ? -27.626 16.926  33.883 1.00 36.94  ? 326 THR   A HA   1 
ATOM   1155 H  HB   . THR   A 1 81  ? -28.109 19.662  34.403 1.00 41.23  ? 326 THR   A HB   1 
ATOM   1156 H  HG1  . THR   A 1 81  ? -29.022 18.796  36.266 1.00 41.76  ? 326 THR   A HG1  1 
ATOM   1157 H  HG21 . THR   A 1 81  ? -30.417 18.961  34.444 1.00 44.92  ? 326 THR   A HG21 1 
ATOM   1158 H  HG22 . THR   A 1 81  ? -29.776 18.974  33.001 1.00 44.92  ? 326 THR   A HG22 1 
ATOM   1159 H  HG23 . THR   A 1 81  ? -29.946 17.610  33.777 1.00 44.92  ? 326 THR   A HG23 1 
ATOM   1160 N  N    . TRP   A 1 82  ? -27.414 17.138  31.458 1.00 24.62  ? 327 TRP   A N    1 
ATOM   1161 C  CA   . TRP   A 1 82  ? -27.255 17.281  30.016 1.00 22.33  ? 327 TRP   A CA   1 
ATOM   1162 C  C    . TRP   A 1 82  ? -28.617 17.519  29.364 1.00 21.71  ? 327 TRP   A C    1 
ATOM   1163 O  O    . TRP   A 1 82  ? -29.598 16.846  29.679 1.00 22.79  ? 327 TRP   A O    1 
ATOM   1164 C  CB   . TRP   A 1 82  ? -26.543 16.047  29.447 1.00 19.96  ? 327 TRP   A CB   1 
ATOM   1165 C  CG   . TRP   A 1 82  ? -25.086 16.049  29.832 1.00 19.19  ? 327 TRP   A CG   1 
ATOM   1166 C  CD1  . TRP   A 1 82  ? -24.538 15.536  30.960 1.00 21.56  ? 327 TRP   A CD1  1 
ATOM   1167 C  CD2  . TRP   A 1 82  ? -24.013 16.669  29.106 1.00 19.24  ? 327 TRP   A CD2  1 
ATOM   1168 N  NE1  . TRP   A 1 82  ? -23.170 15.774  30.979 1.00 24.19  ? 327 TRP   A NE1  1 
ATOM   1169 C  CE2  . TRP   A 1 82  ? -22.833 16.482  29.855 1.00 23.08  ? 327 TRP   A CE2  1 
ATOM   1170 C  CE3  . TRP   A 1 82  ? -23.932 17.341  27.883 1.00 17.47  ? 327 TRP   A CE3  1 
ATOM   1171 C  CZ2  . TRP   A 1 82  ? -21.597 16.923  29.412 1.00 23.36  ? 327 TRP   A CZ2  1 
ATOM   1172 C  CZ3  . TRP   A 1 82  ? -22.707 17.800  27.449 1.00 17.24  ? 327 TRP   A CZ3  1 
ATOM   1173 C  CH2  . TRP   A 1 82  ? -21.545 17.590  28.229 1.00 19.94  ? 327 TRP   A CH2  1 
ATOM   1174 H  H    . TRP   A 1 82  ? -27.593 16.336  31.712 1.00 29.57  ? 327 TRP   A H    1 
ATOM   1175 H  HA   . TRP   A 1 82  ? -26.709 18.055  29.806 1.00 26.82  ? 327 TRP   A HA   1 
ATOM   1176 H  HB2  . TRP   A 1 82  ? -26.955 15.244  29.801 1.00 23.98  ? 327 TRP   A HB2  1 
ATOM   1177 H  HB3  . TRP   A 1 82  ? -26.607 16.054  28.479 1.00 23.98  ? 327 TRP   A HB3  1 
ATOM   1178 H  HD1  . TRP   A 1 82  ? -25.010 15.090  31.625 1.00 25.89  ? 327 TRP   A HD1  1 
ATOM   1179 H  HE1  . TRP   A 1 82  ? -22.625 15.519  31.593 1.00 29.06  ? 327 TRP   A HE1  1 
ATOM   1180 H  HE3  . TRP   A 1 82  ? -24.696 17.478  27.370 1.00 20.99  ? 327 TRP   A HE3  1 
ATOM   1181 H  HZ2  . TRP   A 1 82  ? -20.827 16.768  29.909 1.00 28.06  ? 327 TRP   A HZ2  1 
ATOM   1182 H  HZ3  . TRP   A 1 82  ? -22.644 18.250  26.638 1.00 20.72  ? 327 TRP   A HZ3  1 
ATOM   1183 H  HH2  . TRP   A 1 82  ? -20.728 17.915  27.925 1.00 23.96  ? 327 TRP   A HH2  1 
ATOM   1184 N  N    . GLN   A 1 83  ? -28.671 18.502  28.473 1.00 19.34  ? 328 GLN   A N    1 
ATOM   1185 C  CA   . GLN   A 1 83  ? -29.905 18.971  27.872 1.00 20.40  ? 328 GLN   A CA   1 
ATOM   1186 C  C    . GLN   A 1 83  ? -29.676 19.276  26.399 1.00 17.43  ? 328 GLN   A C    1 
ATOM   1187 O  O    . GLN   A 1 83  ? -28.677 19.902  26.039 1.00 17.06  ? 328 GLN   A O    1 
ATOM   1188 C  CB   . GLN   A 1 83  ? -30.406 20.249  28.576 1.00 28.82  ? 328 GLN   A CB   1 
ATOM   1189 C  CG   . GLN   A 1 83  ? -31.791 20.700  28.145 1.00 39.90  ? 328 GLN   A CG   1 
ATOM   1190 C  CD   . GLN   A 1 83  ? -32.212 22.017  28.788 1.00 50.94  ? 328 GLN   A CD   1 
ATOM   1191 O  OE1  . GLN   A 1 83  ? -32.758 22.884  28.123 1.00 57.77  ? 328 GLN   A OE1  1 
ATOM   1192 N  NE2  . GLN   A 1 83  ? -31.961 22.160  30.077 1.00 52.38  ? 328 GLN   A NE2  1 
ATOM   1193 H  H    . GLN   A 1 83  ? -27.978 18.926  28.193 1.00 23.24  ? 328 GLN   A H    1 
ATOM   1194 H  HA   . GLN   A 1 83  ? -30.580 18.278  27.941 1.00 24.50  ? 328 GLN   A HA   1 
ATOM   1195 H  HB2  . GLN   A 1 83  ? -30.435 20.085  29.532 1.00 34.61  ? 328 GLN   A HB2  1 
ATOM   1196 H  HB3  . GLN   A 1 83  ? -29.788 20.971  28.383 1.00 34.61  ? 328 GLN   A HB3  1 
ATOM   1197 H  HG2  . GLN   A 1 83  ? -31.798 20.821  27.183 1.00 47.91  ? 328 GLN   A HG2  1 
ATOM   1198 H  HG3  . GLN   A 1 83  ? -32.437 20.022  28.399 1.00 47.91  ? 328 GLN   A HG3  1 
ATOM   1199 H  HE21 . GLN   A 1 83  ? -31.577 21.526  30.513 1.00 62.88  ? 328 GLN   A HE21 1 
ATOM   1200 H  HE22 . GLN   A 1 83  ? -32.182 22.887  30.480 1.00 62.88  ? 328 GLN   A HE22 1 
ATOM   1201 N  N    . TRP   A 1 84  ? -30.602 18.832  25.554 1.00 18.11  ? 329 TRP   A N    1 
ATOM   1202 C  CA   . TRP   A 1 84  ? -30.554 19.151  24.142 1.00 16.57  ? 329 TRP   A CA   1 
ATOM   1203 C  C    . TRP   A 1 84  ? -30.956 20.609  23.915 1.00 16.24  ? 329 TRP   A C    1 
ATOM   1204 O  O    . TRP   A 1 84  ? -31.627 21.240  24.741 1.00 17.43  ? 329 TRP   A O    1 
ATOM   1205 C  CB   . TRP   A 1 84  ? -31.481 18.234  23.357 1.00 16.60  ? 329 TRP   A CB   1 
ATOM   1206 C  CG   . TRP   A 1 84  ? -31.127 16.782  23.457 1.00 16.29  ? 329 TRP   A CG   1 
ATOM   1207 C  CD1  . TRP   A 1 84  ? -31.690 15.843  24.282 1.00 17.75  ? 329 TRP   A CD1  1 
ATOM   1208 C  CD2  . TRP   A 1 84  ? -30.110 16.096  22.702 1.00 14.60  ? 329 TRP   A CD2  1 
ATOM   1209 N  NE1  . TRP   A 1 84  ? -31.080 14.603  24.075 1.00 16.32  ? 329 TRP   A NE1  1 
ATOM   1210 C  CE2  . TRP   A 1 84  ? -30.116 14.747  23.112 1.00 15.49  ? 329 TRP   A CE2  1 
ATOM   1211 C  CE3  . TRP   A 1 84  ? -29.197 16.505  21.716 1.00 13.78  ? 329 TRP   A CE3  1 
ATOM   1212 C  CZ2  . TRP   A 1 84  ? -29.253 13.808  22.576 1.00 17.20  ? 329 TRP   A CZ2  1 
ATOM   1213 C  CZ3  . TRP   A 1 84  ? -28.341 15.556  21.178 1.00 12.97  ? 329 TRP   A CZ3  1 
ATOM   1214 C  CH2  . TRP   A 1 84  ? -28.385 14.229  21.611 1.00 15.43  ? 329 TRP   A CH2  1 
ATOM   1215 H  H    . TRP   A 1 84  ? -31.271 18.341  25.779 1.00 21.76  ? 329 TRP   A H    1 
ATOM   1216 H  HA   . TRP   A 1 84  ? -29.652 19.023  23.811 1.00 19.92  ? 329 TRP   A HA   1 
ATOM   1217 H  HB2  . TRP   A 1 84  ? -32.384 18.342  23.695 1.00 19.95  ? 329 TRP   A HB2  1 
ATOM   1218 H  HB3  . TRP   A 1 84  ? -31.445 18.483  22.420 1.00 19.95  ? 329 TRP   A HB3  1 
ATOM   1219 H  HD1  . TRP   A 1 84  ? -32.376 16.007  24.888 1.00 21.33  ? 329 TRP   A HD1  1 
ATOM   1220 H  HE1  . TRP   A 1 84  ? -31.276 13.872  24.483 1.00 19.61  ? 329 TRP   A HE1  1 
ATOM   1221 H  HE3  . TRP   A 1 84  ? -29.167 17.390  21.432 1.00 16.56  ? 329 TRP   A HE3  1 
ATOM   1222 H  HZ2  . TRP   A 1 84  ? -29.265 12.923  22.862 1.00 20.67  ? 329 TRP   A HZ2  1 
ATOM   1223 H  HZ3  . TRP   A 1 84  ? -27.731 15.805  20.522 1.00 15.59  ? 329 TRP   A HZ3  1 
ATOM   1224 H  HH2  . TRP   A 1 84  ? -27.803 13.612  21.230 1.00 18.54  ? 329 TRP   A HH2  1 
ATOM   1225 N  N    . VAL   A 1 85  ? -30.546 21.150  22.766 1.00 16.82  ? 330 VAL   A N    1 
ATOM   1226 C  CA   . VAL   A 1 85  ? -30.782 22.573  22.517 1.00 20.35  ? 330 VAL   A CA   1 
ATOM   1227 C  C    . VAL   A 1 85  ? -32.247 22.903  22.288 1.00 23.47  ? 330 VAL   A C    1 
ATOM   1228 O  O    . VAL   A 1 85  ? -32.621 24.074  22.324 1.00 26.65  ? 330 VAL   A O    1 
ATOM   1229 C  CB   . VAL   A 1 85  ? -29.942 23.082  21.330 1.00 21.52  ? 330 VAL   A CB   1 
ATOM   1230 C  CG1  . VAL   A 1 85  ? -28.476 23.054  21.688 1.00 23.53  ? 330 VAL   A CG1  1 
ATOM   1231 C  CG2  . VAL   A 1 85  ? -30.227 22.238  20.063 1.00 19.49  ? 330 VAL   A CG2  1 
ATOM   1232 H  H    . VAL   A 1 85  ? -30.142 20.728  22.134 1.00 20.22  ? 330 VAL   A H    1 
ATOM   1233 H  HA   . VAL   A 1 85  ? -30.492 23.050  23.310 1.00 24.44  ? 330 VAL   A HA   1 
ATOM   1234 H  HB   . VAL   A 1 85  ? -30.187 23.999  21.130 1.00 25.85  ? 330 VAL   A HB   1 
ATOM   1235 H  HG11 . VAL   A 1 85  ? -27.959 23.372  20.932 1.00 28.27  ? 330 VAL   A HG11 1 
ATOM   1236 H  HG12 . VAL   A 1 85  ? -28.327 23.628  22.456 1.00 28.27  ? 330 VAL   A HG12 1 
ATOM   1237 H  HG13 . VAL   A 1 85  ? -28.221 22.143  21.903 1.00 28.27  ? 330 VAL   A HG13 1 
ATOM   1238 H  HG21 . VAL   A 1 85  ? -29.808 22.664  19.299 1.00 23.42  ? 330 VAL   A HG21 1 
ATOM   1239 H  HG22 . VAL   A 1 85  ? -29.860 21.348  20.188 1.00 23.42  ? 330 VAL   A HG22 1 
ATOM   1240 H  HG23 . VAL   A 1 85  ? -31.186 22.185  19.928 1.00 23.42  ? 330 VAL   A HG23 1 
ATOM   1241 N  N    . ASP   A 1 86  ? -33.098 21.912  22.049 1.00 19.01  ? 331 ASP   A N    1 
ATOM   1242 C  CA   . ASP   A 1 86  ? -34.541 22.145  21.986 1.00 20.64  ? 331 ASP   A CA   1 
ATOM   1243 C  C    . ASP   A 1 86  ? -35.200 22.092  23.355 1.00 23.36  ? 331 ASP   A C    1 
ATOM   1244 O  O    . ASP   A 1 86  ? -36.429 22.151  23.447 1.00 25.37  ? 331 ASP   A O    1 
ATOM   1245 C  CB   . ASP   A 1 86  ? -35.204 21.146  21.028 1.00 22.31  ? 331 ASP   A CB   1 
ATOM   1246 C  CG   . ASP   A 1 86  ? -35.182 19.722  21.537 1.00 23.26  ? 331 ASP   A CG   1 
ATOM   1247 O  OD1  . ASP   A 1 86  ? -34.568 19.428  22.597 1.00 22.45  ? 331 ASP   A OD1  1 
ATOM   1248 O  OD2  . ASP   A 1 86  ? -35.774 18.870  20.842 1.00 23.94  ? 331 ASP   A OD2  1 
ATOM   1249 H  H    . ASP   A 1 86  ? -32.865 21.095  21.919 1.00 22.84  ? 331 ASP   A H    1 
ATOM   1250 H  HA   . ASP   A 1 86  ? -34.696 23.031  21.623 1.00 24.80  ? 331 ASP   A HA   1 
ATOM   1251 H  HB2  . ASP   A 1 86  ? -36.131 21.402  20.900 1.00 26.81  ? 331 ASP   A HB2  1 
ATOM   1252 H  HB3  . ASP   A 1 86  ? -34.734 21.166  20.180 1.00 26.81  ? 331 ASP   A HB3  1 
ATOM   1253 N  N    . GLY   A 1 87  ? -34.410 21.980  24.422 1.00 25.22  ? 332 GLY   A N    1 
ATOM   1254 C  CA   . GLY   A 1 87  ? -34.929 21.926  25.776 1.00 26.43  ? 332 GLY   A CA   1 
ATOM   1255 C  C    . GLY   A 1 87  ? -35.156 20.529  26.303 1.00 25.80  ? 332 GLY   A C    1 
ATOM   1256 O  O    . GLY   A 1 87  ? -35.342 20.374  27.511 1.00 30.13  ? 332 GLY   A O    1 
ATOM   1257 H  H    . GLY   A 1 87  ? -33.553 21.934  24.380 1.00 30.30  ? 332 GLY   A H    1 
ATOM   1258 H  HA2  . GLY   A 1 87  ? -34.302 22.369  26.369 1.00 31.74  ? 332 GLY   A HA2  1 
ATOM   1259 H  HA3  . GLY   A 1 87  ? -35.777 22.396  25.805 1.00 31.74  ? 332 GLY   A HA3  1 
ATOM   1260 N  N    . SER   A 1 88  ? -35.150 19.506  25.444 1.00 20.12  ? 333 SER   A N    1 
ATOM   1261 C  CA   . SER   A 1 88  ? -35.449 18.159  25.923 1.00 19.96  ? 333 SER   A CA   1 
ATOM   1262 C  C    . SER   A 1 88  ? -34.287 17.634  26.776 1.00 19.95  ? 333 SER   A C    1 
ATOM   1263 O  O    . SER   A 1 88  ? -33.128 17.958  26.533 1.00 21.20  ? 333 SER   A O    1 
ATOM   1264 C  CB   . SER   A 1 88  ? -35.713 17.229  24.740 1.00 23.34  ? 333 SER   A CB   1 
ATOM   1265 O  OG   . SER   A 1 88  ? -34.613 17.178  23.854 1.00 26.25  ? 333 SER   A OG   1 
ATOM   1266 H  H    . SER   A 1 88  ? -34.980 19.564  24.603 1.00 24.18  ? 333 SER   A H    1 
ATOM   1267 H  HA   . SER   A 1 88  ? -36.245 18.166  26.478 1.00 23.98  ? 333 SER   A HA   1 
ATOM   1268 H  HB2  . SER   A 1 88  ? -35.883 16.336  25.077 1.00 28.04  ? 333 SER   A HB2  1 
ATOM   1269 H  HB3  . SER   A 1 88  ? -36.488 17.554  24.256 1.00 28.04  ? 333 SER   A HB3  1 
ATOM   1270 H  HG   . SER   A 1 88  ? -34.796 16.686  23.197 1.00 31.53  ? 333 SER   A HG   1 
ATOM   1271 N  N    . PRO   A 1 89  ? -34.575 16.846  27.811 1.00 20.17  ? 334 PRO   A N    1 
ATOM   1272 C  CA   . PRO   A 1 89  ? -33.504 16.288  28.635 1.00 21.70  ? 334 PRO   A CA   1 
ATOM   1273 C  C    . PRO   A 1 89  ? -32.871 15.070  27.977 1.00 19.86  ? 334 PRO   A C    1 
ATOM   1274 O  O    . PRO   A 1 89  ? -33.517 14.351  27.198 1.00 20.81  ? 334 PRO   A O    1 
ATOM   1275 C  CB   . PRO   A 1 89  ? -34.231 15.871  29.919 1.00 25.60  ? 334 PRO   A CB   1 
ATOM   1276 C  CG   . PRO   A 1 89  ? -35.557 15.446  29.417 1.00 25.87  ? 334 PRO   A CG   1 
ATOM   1277 C  CD   . PRO   A 1 89  ? -35.904 16.435  28.309 1.00 22.83  ? 334 PRO   A CD   1 
ATOM   1278 H  HA   . PRO   A 1 89  ? -32.831 16.959  28.829 1.00 26.07  ? 334 PRO   A HA   1 
ATOM   1279 H  HB2  . PRO   A 1 89  ? -33.763 15.139  30.351 1.00 30.75  ? 334 PRO   A HB2  1 
ATOM   1280 H  HB3  . PRO   A 1 89  ? -34.304 16.623  30.527 1.00 30.75  ? 334 PRO   A HB3  1 
ATOM   1281 H  HG2  . PRO   A 1 89  ? -35.503 14.542  29.069 1.00 31.08  ? 334 PRO   A HG2  1 
ATOM   1282 H  HG3  . PRO   A 1 89  ? -36.209 15.488  30.134 1.00 31.08  ? 334 PRO   A HG3  1 
ATOM   1283 H  HD2  . PRO   A 1 89  ? -36.420 16.005  27.608 1.00 27.43  ? 334 PRO   A HD2  1 
ATOM   1284 H  HD3  . PRO   A 1 89  ? -36.393 17.195  28.662 1.00 27.43  ? 334 PRO   A HD3  1 
ATOM   1285 N  N    . LEU   A 1 90  ? -31.595 14.849  28.301 1.00 20.01  ? 335 LEU   A N    1 
ATOM   1286 C  CA   . LEU   A 1 90  ? -30.914 13.634  27.850 1.00 19.80  ? 335 LEU   A CA   1 
ATOM   1287 C  C    . LEU   A 1 90  ? -31.492 12.452  28.616 1.00 22.13  ? 335 LEU   A C    1 
ATOM   1288 O  O    . LEU   A 1 90  ? -31.452 12.455  29.847 1.00 25.68  ? 335 LEU   A O    1 
ATOM   1289 C  CB   . LEU   A 1 90  ? -29.412 13.721  28.084 1.00 18.81  ? 335 LEU   A CB   1 
ATOM   1290 C  CG   . LEU   A 1 90  ? -28.600 12.503  27.618 1.00 18.72  ? 335 LEU   A CG   1 
ATOM   1291 C  CD1  . LEU   A 1 90  ? -28.689 12.344  26.118 1.00 18.38  ? 335 LEU   A CD1  1 
ATOM   1292 C  CD2  . LEU   A 1 90  ? -27.133 12.601  28.070 1.00 19.56  ? 335 LEU   A CD2  1 
ATOM   1293 H  H    . LEU   A 1 90  ? -31.108 15.378  28.773 1.00 24.04  ? 335 LEU   A H    1 
ATOM   1294 H  HA   . LEU   A 1 90  ? -31.053 13.521  26.896 1.00 23.79  ? 335 LEU   A HA   1 
ATOM   1295 H  HB2  . LEU   A 1 90  ? -29.074 14.495  27.605 1.00 22.60  ? 335 LEU   A HB2  1 
ATOM   1296 H  HB3  . LEU   A 1 90  ? -29.257 13.826  29.035 1.00 22.60  ? 335 LEU   A HB3  1 
ATOM   1297 H  HG   . LEU   A 1 90  ? -28.976 11.709  28.029 1.00 22.49  ? 335 LEU   A HG   1 
ATOM   1298 H  HD11 . LEU   A 1 90  ? -28.100 11.625  25.841 1.00 22.09  ? 335 LEU   A HD11 1 
ATOM   1299 H  HD12 . LEU   A 1 90  ? -29.604 12.133  25.876 1.00 22.09  ? 335 LEU   A HD12 1 
ATOM   1300 H  HD13 . LEU   A 1 90  ? -28.419 13.175  25.696 1.00 22.09  ? 335 LEU   A HD13 1 
ATOM   1301 H  HD21 . LEU   A 1 90  ? -26.674 11.781  27.833 1.00 23.50  ? 335 LEU   A HD21 1 
ATOM   1302 H  HD22 . LEU   A 1 90  ? -26.716 13.355  27.625 1.00 23.50  ? 335 LEU   A HD22 1 
ATOM   1303 H  HD23 . LEU   A 1 90  ? -27.107 12.729  29.031 1.00 23.50  ? 335 LEU   A HD23 1 
ATOM   1304 N  N    . LEU   A 1 91  ? -32.010 11.488  27.921 1.00 18.55  ? 336 LEU   A N    1 
ATOM   1305 C  CA   . LEU   A 1 91  ? -32.681 10.349  28.566 1.00 19.85  ? 336 LEU   A CA   1 
ATOM   1306 C  C    . LEU   A 1 91  ? -31.686 9.258   28.966 1.00 20.00  ? 336 LEU   A C    1 
ATOM   1307 O  O    . LEU   A 1 91  ? -30.604 9.149   28.378 1.00 18.97  ? 336 LEU   A O    1 
ATOM   1308 C  CB   . LEU   A 1 91  ? -33.735 9.745   27.619 1.00 24.22  ? 336 LEU   A CB   1 
ATOM   1309 C  CG   . LEU   A 1 91  ? -34.888 10.658  27.199 1.00 27.36  ? 336 LEU   A CG   1 
ATOM   1310 C  CD1  . LEU   A 1 91  ? -35.730 10.003  26.099 1.00 28.25  ? 336 LEU   A CD1  1 
ATOM   1311 C  CD2  . LEU   A 1 91  ? -35.760 11.036  28.400 1.00 29.02  ? 336 LEU   A CD2  1 
ATOM   1312 H  H    . LEU   A 1 91  ? -31.998 11.446  27.062 1.00 22.29  ? 336 LEU   A H    1 
ATOM   1313 H  HA   . LEU   A 1 91  ? -33.121 10.660  29.373 1.00 23.84  ? 336 LEU   A HA   1 
ATOM   1314 H  HB2  . LEU   A 1 91  ? -33.282 9.467   26.807 1.00 29.09  ? 336 LEU   A HB2  1 
ATOM   1315 H  HB3  . LEU   A 1 91  ? -34.128 8.976   28.060 1.00 29.09  ? 336 LEU   A HB3  1 
ATOM   1316 H  HG   . LEU   A 1 91  ? -34.515 11.478  26.840 1.00 32.87  ? 336 LEU   A HG   1 
ATOM   1317 H  HD11 . LEU   A 1 91  ? -36.453 10.602  25.855 1.00 33.92  ? 336 LEU   A HD11 1 
ATOM   1318 H  HD12 . LEU   A 1 91  ? -35.166 9.834   25.328 1.00 33.92  ? 336 LEU   A HD12 1 
ATOM   1319 H  HD13 . LEU   A 1 91  ? -36.092 9.167   26.434 1.00 33.92  ? 336 LEU   A HD13 1 
ATOM   1320 H  HD21 . LEU   A 1 91  ? -36.518 11.555  28.089 1.00 34.85  ? 336 LEU   A HD21 1 
ATOM   1321 H  HD22 . LEU   A 1 91  ? -36.069 10.225  28.833 1.00 34.85  ? 336 LEU   A HD22 1 
ATOM   1322 H  HD23 . LEU   A 1 91  ? -35.232 11.561  29.021 1.00 34.85  ? 336 LEU   A HD23 1 
ATOM   1323 N  N    . PRO   A 1 92  ? -32.022 8.462   29.985 1.00 23.02  ? 337 PRO   A N    1 
ATOM   1324 C  CA   . PRO   A 1 92  ? -31.093 7.415   30.437 1.00 24.89  ? 337 PRO   A CA   1 
ATOM   1325 C  C    . PRO   A 1 92  ? -30.769 6.395   29.367 1.00 21.83  ? 337 PRO   A C    1 
ATOM   1326 O  O    . PRO   A 1 92  ? -29.700 5.774   29.415 1.00 20.54  ? 337 PRO   A O    1 
ATOM   1327 C  CB   . PRO   A 1 92  ? -31.845 6.747   31.606 1.00 30.74  ? 337 PRO   A CB   1 
ATOM   1328 C  CG   . PRO   A 1 92  ? -32.874 7.722   32.031 1.00 32.20  ? 337 PRO   A CG   1 
ATOM   1329 C  CD   . PRO   A 1 92  ? -33.219 8.568   30.835 1.00 27.88  ? 337 PRO   A CD   1 
ATOM   1330 H  HA   . PRO   A 1 92  ? -30.277 7.829   30.761 1.00 29.89  ? 337 PRO   A HA   1 
ATOM   1331 H  HB2  . PRO   A 1 92  ? -32.256 5.923   31.302 1.00 36.92  ? 337 PRO   A HB2  1 
ATOM   1332 H  HB3  . PRO   A 1 92  ? -31.226 6.562   32.330 1.00 36.92  ? 337 PRO   A HB3  1 
ATOM   1333 H  HG2  . PRO   A 1 92  ? -33.658 7.243   32.343 1.00 38.66  ? 337 PRO   A HG2  1 
ATOM   1334 H  HG3  . PRO   A 1 92  ? -32.517 8.274   32.743 1.00 38.66  ? 337 PRO   A HG3  1 
ATOM   1335 H  HD2  . PRO   A 1 92  ? -33.999 8.216   30.378 1.00 33.48  ? 337 PRO   A HD2  1 
ATOM   1336 H  HD3  . PRO   A 1 92  ? -33.375 9.488   31.098 1.00 33.48  ? 337 PRO   A HD3  1 
ATOM   1337 N  N    . SER   A 1 93  ? -31.684 6.190   28.411 1.00 21.71  ? 338 SER   A N    1 
ATOM   1338 C  CA   . SER   A 1 93  ? -31.491 5.274   27.294 1.00 21.52  ? 338 SER   A CA   1 
ATOM   1339 C  C    . SER   A 1 93  ? -30.365 5.715   26.370 1.00 18.93  ? 338 SER   A C    1 
ATOM   1340 O  O    . SER   A 1 93  ? -29.997 4.961   25.459 1.00 20.46  ? 338 SER   A O    1 
ATOM   1341 C  CB   . SER   A 1 93  ? -32.787 5.189   26.501 1.00 23.79  ? 338 SER   A CB   1 
ATOM   1342 O  OG   . SER   A 1 93  ? -33.221 6.506   26.135 1.00 25.25  ? 338 SER   A OG   1 
ATOM   1343 H  H    . SER   A 1 93  ? -32.448 6.585   28.388 1.00 26.09  ? 338 SER   A H    1 
ATOM   1344 H  HA   . SER   A 1 93  ? -31.269 4.393   27.634 1.00 25.86  ? 338 SER   A HA   1 
ATOM   1345 H  HB2  . SER   A 1 93  ? -32.638 4.667   25.697 1.00 28.58  ? 338 SER   A HB2  1 
ATOM   1346 H  HB3  . SER   A 1 93  ? -33.469 4.769   27.048 1.00 28.58  ? 338 SER   A HB3  1 
ATOM   1347 H  HG   . SER   A 1 93  ? -33.917 6.460   25.667 1.00 30.33  ? 338 SER   A HG   1 
ATOM   1348 N  N    . PHE   A 1 94  ? -29.818 6.915   26.577 1.00 17.24  ? 339 PHE   A N    1 
ATOM   1349 C  CA   . PHE   A 1 94  ? -28.715 7.409   25.774 1.00 16.74  ? 339 PHE   A CA   1 
ATOM   1350 C  C    . PHE   A 1 94  ? -27.377 7.401   26.499 1.00 17.44  ? 339 PHE   A C    1 
ATOM   1351 O  O    . PHE   A 1 94  ? -26.348 7.685   25.868 1.00 20.04  ? 339 PHE   A O    1 
ATOM   1352 C  CB   . PHE   A 1 94  ? -29.025 8.852   25.296 1.00 18.68  ? 339 PHE   A CB   1 
ATOM   1353 C  CG   . PHE   A 1 94  ? -30.028 8.921   24.184 1.00 21.73  ? 339 PHE   A CG   1 
ATOM   1354 C  CD1  . PHE   A 1 94  ? -31.372 8.712   24.422 1.00 24.92  ? 339 PHE   A CD1  1 
ATOM   1355 C  CD2  . PHE   A 1 94  ? -29.607 9.182   22.887 1.00 22.75  ? 339 PHE   A CD2  1 
ATOM   1356 C  CE1  . PHE   A 1 94  ? -32.303 8.782   23.387 1.00 25.33  ? 339 PHE   A CE1  1 
ATOM   1357 C  CE2  . PHE   A 1 94  ? -30.529 9.243   21.844 1.00 24.71  ? 339 PHE   A CE2  1 
ATOM   1358 C  CZ   . PHE   A 1 94  ? -31.881 9.055   22.103 1.00 24.62  ? 339 PHE   A CZ   1 
ATOM   1359 H  H    . PHE   A 1 94  ? -30.076 7.463   27.187 1.00 20.71  ? 339 PHE   A H    1 
ATOM   1360 H  HA   . PHE   A 1 94  ? -28.621 6.842   24.993 1.00 20.11  ? 339 PHE   A HA   1 
ATOM   1361 H  HB2  . PHE   A 1 94  ? -29.377 9.358   26.044 1.00 22.44  ? 339 PHE   A HB2  1 
ATOM   1362 H  HB3  . PHE   A 1 94  ? -28.203 9.257   24.978 1.00 22.44  ? 339 PHE   A HB3  1 
ATOM   1363 H  HD1  . PHE   A 1 94  ? -31.660 8.521   25.286 1.00 29.93  ? 339 PHE   A HD1  1 
ATOM   1364 H  HD2  . PHE   A 1 94  ? -28.704 9.316   22.713 1.00 27.33  ? 339 PHE   A HD2  1 
ATOM   1365 H  HE1  . PHE   A 1 94  ? -33.207 8.646   23.562 1.00 30.42  ? 339 PHE   A HE1  1 
ATOM   1366 H  HE2  . PHE   A 1 94  ? -30.240 9.410   20.976 1.00 29.68  ? 339 PHE   A HE2  1 
ATOM   1367 H  HZ   . PHE   A 1 94  ? -32.500 9.112   21.411 1.00 29.57  ? 339 PHE   A HZ   1 
ATOM   1368 N  N    . LYS   A 1 95  ? -27.344 7.078   27.793 1.00 16.43  ? 340 LYS   A N    1 
ATOM   1369 C  CA   . LYS   A 1 95  ? -26.083 7.135   28.521 1.00 20.32  ? 340 LYS   A CA   1 
ATOM   1370 C  C    . LYS   A 1 95  ? -25.064 6.168   27.945 1.00 17.15  ? 340 LYS   A C    1 
ATOM   1371 O  O    . LYS   A 1 95  ? -23.859 6.434   28.006 1.00 17.23  ? 340 LYS   A O    1 
ATOM   1372 C  CB   . LYS   A 1 95  ? -26.298 6.860   30.007 1.00 30.08  ? 340 LYS   A CB   1 
ATOM   1373 C  CG   . LYS   A 1 95  ? -27.166 7.919   30.713 1.00 41.75  ? 340 LYS   A CG   1 
ATOM   1374 C  CD   . LYS   A 1 95  ? -26.349 8.930   31.545 1.00 49.29  ? 340 LYS   A CD   1 
ATOM   1375 C  CE   . LYS   A 1 95  ? -25.779 10.091  30.699 1.00 49.26  ? 340 LYS   A CE   1 
ATOM   1376 N  NZ   . LYS   A 1 95  ? -24.943 11.056  31.480 1.00 47.25  ? 340 LYS   A NZ   1 
ATOM   1377 H  H    . LYS   A 1 95  ? -28.021 6.828   28.262 1.00 19.75  ? 340 LYS   A H    1 
ATOM   1378 H  HA   . LYS   A 1 95  ? -25.728 8.034   28.442 1.00 24.41  ? 340 LYS   A HA   1 
ATOM   1379 H  HB2  . LYS   A 1 95  ? -26.739 6.002   30.105 1.00 36.12  ? 340 LYS   A HB2  1 
ATOM   1380 H  HB3  . LYS   A 1 95  ? -25.434 6.842   30.449 1.00 36.12  ? 340 LYS   A HB3  1 
ATOM   1381 H  HG2  . LYS   A 1 95  ? -27.660 8.417   30.043 1.00 50.13  ? 340 LYS   A HG2  1 
ATOM   1382 H  HG3  . LYS   A 1 95  ? -27.782 7.470   31.313 1.00 50.13  ? 340 LYS   A HG3  1 
ATOM   1383 H  HD2  . LYS   A 1 95  ? -26.922 9.312   32.228 1.00 59.18  ? 340 LYS   A HD2  1 
ATOM   1384 H  HD3  . LYS   A 1 95  ? -25.603 8.468   31.958 1.00 59.18  ? 340 LYS   A HD3  1 
ATOM   1385 H  HE2  . LYS   A 1 95  ? -25.223 9.721   29.996 1.00 59.13  ? 340 LYS   A HE2  1 
ATOM   1386 H  HE3  . LYS   A 1 95  ? -26.518 10.586  30.312 1.00 59.13  ? 340 LYS   A HE3  1 
ATOM   1387 H  HZ1  . LYS   A 1 95  ? -24.619 11.685  30.939 1.00 56.73  ? 340 LYS   A HZ1  1 
ATOM   1388 H  HZ2  . LYS   A 1 95  ? -25.436 11.445  32.111 1.00 56.73  ? 340 LYS   A HZ2  1 
ATOM   1389 H  HZ3  . LYS   A 1 95  ? -24.265 10.629  31.865 1.00 56.73  ? 340 LYS   A HZ3  1 
ATOM   1390 N  N    . GLN   A 1 96  ? -25.520 5.065   27.338 1.00 16.54  ? 341 GLN   A N    1 
ATOM   1391 C  CA   . GLN   A 1 96  ? -24.606 4.107   26.743 1.00 18.46  ? 341 GLN   A CA   1 
ATOM   1392 C  C    . GLN   A 1 96  ? -23.670 4.715   25.695 1.00 17.99  ? 341 GLN   A C    1 
ATOM   1393 O  O    . GLN   A 1 96  ? -22.635 4.116   25.387 1.00 19.03  ? 341 GLN   A O    1 
ATOM   1394 C  CB   . GLN   A 1 96  ? -25.408 3.004   26.035 1.00 19.05  ? 341 GLN   A CB   1 
ATOM   1395 C  CG   . GLN   A 1 96  ? -26.385 3.527   25.019 1.00 19.47  ? 341 GLN   A CG   1 
ATOM   1396 C  CD   . GLN   A 1 96  ? -27.105 2.414   24.275 1.00 22.31  ? 341 GLN   A CD   1 
ATOM   1397 O  OE1  . GLN   A 1 96  ? -26.470 1.472   23.778 1.00 23.48  ? 341 GLN   A OE1  1 
ATOM   1398 N  NE2  . GLN   A 1 96  ? -28.431 2.515   24.187 1.00 24.23  ? 341 GLN   A NE2  1 
ATOM   1399 H  H    . GLN   A 1 96  ? -26.351 4.854   27.260 1.00 19.88  ? 341 GLN   A H    1 
ATOM   1400 H  HA   . GLN   A 1 96  ? -24.070 3.743   27.465 1.00 22.18  ? 341 GLN   A HA   1 
ATOM   1401 H  HB2  . GLN   A 1 96  ? -24.790 2.414   25.576 1.00 22.89  ? 341 GLN   A HB2  1 
ATOM   1402 H  HB3  . GLN   A 1 96  ? -25.910 2.507   26.700 1.00 22.89  ? 341 GLN   A HB3  1 
ATOM   1403 H  HG2  . GLN   A 1 96  ? -27.052 4.068   25.470 1.00 23.39  ? 341 GLN   A HG2  1 
ATOM   1404 H  HG3  . GLN   A 1 96  ? -25.907 4.064   24.368 1.00 23.39  ? 341 GLN   A HG3  1 
ATOM   1405 H  HE21 . GLN   A 1 96  ? -28.836 3.186   24.541 1.00 29.11  ? 341 GLN   A HE21 1 
ATOM   1406 H  HE22 . GLN   A 1 96  ? -28.882 1.909   23.775 1.00 29.11  ? 341 GLN   A HE22 1 
ATOM   1407 N  N    . TYR   A 1 97  ? -24.025 5.865   25.108 1.00 16.97  ? 342 TYR   A N    1 
ATOM   1408 C  CA   . TYR   A 1 97  ? -23.263 6.363   23.964 1.00 14.91  ? 342 TYR   A CA   1 
ATOM   1409 C  C    . TYR   A 1 97  ? -22.010 7.143   24.362 1.00 15.48  ? 342 TYR   A C    1 
ATOM   1410 O  O    . TYR   A 1 97  ? -21.118 7.315   23.522 1.00 15.04  ? 342 TYR   A O    1 
ATOM   1411 C  CB   . TYR   A 1 97  ? -24.162 7.220   23.077 1.00 14.12  ? 342 TYR   A CB   1 
ATOM   1412 C  CG   . TYR   A 1 97  ? -25.368 6.434   22.540 1.00 15.06  ? 342 TYR   A CG   1 
ATOM   1413 C  CD1  . TYR   A 1 97  ? -25.195 5.215   21.898 1.00 18.14  ? 342 TYR   A CD1  1 
ATOM   1414 C  CD2  . TYR   A 1 97  ? -26.662 6.907   22.718 1.00 14.54  ? 342 TYR   A CD2  1 
ATOM   1415 C  CE1  . TYR   A 1 97  ? -26.282 4.490   21.423 1.00 19.45  ? 342 TYR   A CE1  1 
ATOM   1416 C  CE2  . TYR   A 1 97  ? -27.754 6.208   22.247 1.00 16.54  ? 342 TYR   A CE2  1 
ATOM   1417 C  CZ   . TYR   A 1 97  ? -27.569 4.993   21.602 1.00 17.87  ? 342 TYR   A CZ   1 
ATOM   1418 O  OH   . TYR   A 1 97  ? -28.663 4.276   21.139 1.00 16.48  ? 342 TYR   A OH   1 
ATOM   1419 H  H    . TYR   A 1 97  ? -24.685 6.361   25.348 1.00 20.40  ? 342 TYR   A H    1 
ATOM   1420 H  HA   . TYR   A 1 97  ? -22.963 5.605   23.439 1.00 17.93  ? 342 TYR   A HA   1 
ATOM   1421 H  HB2  . TYR   A 1 97  ? -24.496 7.970   23.593 1.00 16.81  ? 342 TYR   A HB2  1 
ATOM   1422 H  HB3  . TYR   A 1 97  ? -23.648 7.541   22.319 1.00 16.81  ? 342 TYR   A HB3  1 
ATOM   1423 H  HD1  . TYR   A 1 97  ? -24.336 4.877   21.784 1.00 21.80  ? 342 TYR   A HD1  1 
ATOM   1424 H  HD2  . TYR   A 1 97  ? -26.795 7.712   23.164 1.00 17.48  ? 342 TYR   A HD2  1 
ATOM   1425 H  HE1  . TYR   A 1 97  ? -26.151 3.677   20.991 1.00 23.36  ? 342 TYR   A HE1  1 
ATOM   1426 H  HE2  . TYR   A 1 97  ? -28.612 6.549   22.361 1.00 19.87  ? 342 TYR   A HE2  1 
ATOM   1427 H  HH   . TYR   A 1 97  ? -28.408 3.552   20.797 1.00 19.81  ? 342 TYR   A HH   1 
ATOM   1428 N  N    . TRP   A 1 98  ? -21.892 7.569   25.606 1.00 16.20  ? 343 TRP   A N    1 
ATOM   1429 C  CA   . TRP   A 1 98  ? -20.667 8.214   26.066 1.00 16.55  ? 343 TRP   A CA   1 
ATOM   1430 C  C    . TRP   A 1 98  ? -19.473 7.267   25.961 1.00 15.61  ? 343 TRP   A C    1 
ATOM   1431 O  O    . TRP   A 1 98  ? -19.540 6.089   26.358 1.00 17.09  ? 343 TRP   A O    1 
ATOM   1432 C  CB   . TRP   A 1 98  ? -20.785 8.669   27.530 1.00 18.16  ? 343 TRP   A CB   1 
ATOM   1433 C  CG   . TRP   A 1 98  ? -21.727 9.773   27.813 1.00 18.10  ? 343 TRP   A CG   1 
ATOM   1434 C  CD1  . TRP   A 1 98  ? -22.919 9.682   28.495 1.00 18.51  ? 343 TRP   A CD1  1 
ATOM   1435 C  CD2  . TRP   A 1 98  ? -21.588 11.145  27.446 1.00 18.35  ? 343 TRP   A CD2  1 
ATOM   1436 N  NE1  . TRP   A 1 98  ? -23.506 10.920  28.580 1.00 18.02  ? 343 TRP   A NE1  1 
ATOM   1437 C  CE2  . TRP   A 1 98  ? -22.724 11.828  27.929 1.00 17.94  ? 343 TRP   A CE2  1 
ATOM   1438 C  CE3  . TRP   A 1 98  ? -20.614 11.873  26.765 1.00 18.13  ? 343 TRP   A CE3  1 
ATOM   1439 C  CZ2  . TRP   A 1 98  ? -22.905 13.206  27.755 1.00 20.07  ? 343 TRP   A CZ2  1 
ATOM   1440 C  CZ3  . TRP   A 1 98  ? -20.811 13.239  26.574 1.00 17.39  ? 343 TRP   A CZ3  1 
ATOM   1441 C  CH2  . TRP   A 1 98  ? -21.933 13.877  27.074 1.00 19.14  ? 343 TRP   A CH2  1 
ATOM   1442 H  H    . TRP   A 1 98  ? -22.502 7.500   26.209 1.00 19.47  ? 343 TRP   A H    1 
ATOM   1443 H  HA   . TRP   A 1 98  ? -20.521 8.991   25.505 1.00 19.89  ? 343 TRP   A HA   1 
ATOM   1444 H  HB2  . TRP   A 1 98  ? -21.075 7.908   28.058 1.00 21.82  ? 343 TRP   A HB2  1 
ATOM   1445 H  HB3  . TRP   A 1 98  ? -19.909 8.962   27.824 1.00 21.82  ? 343 TRP   A HB3  1 
ATOM   1446 H  HD1  . TRP   A 1 98  ? -23.274 8.897   28.847 1.00 22.24  ? 343 TRP   A HD1  1 
ATOM   1447 H  HE1  . TRP   A 1 98  ? -24.247 11.095  28.980 1.00 21.65  ? 343 TRP   A HE1  1 
ATOM   1448 H  HE3  . TRP   A 1 98  ? -19.847 11.456  26.444 1.00 21.78  ? 343 TRP   A HE3  1 
ATOM   1449 H  HZ2  . TRP   A 1 98  ? -23.654 13.644  28.089 1.00 24.12  ? 343 TRP   A HZ2  1 
ATOM   1450 H  HZ3  . TRP   A 1 98  ? -20.178 13.731  26.102 1.00 20.90  ? 343 TRP   A HZ3  1 
ATOM   1451 H  HH2  . TRP   A 1 98  ? -22.027 14.793  26.941 1.00 22.99  ? 343 TRP   A HH2  1 
ATOM   1452 N  N    . ASN   A 1 99  ? -18.350 7.789   25.470 1.00 15.04  ? 344 ASN   A N    1 
ATOM   1453 C  CA   . ASN   A 1 99  ? -17.131 6.998   25.436 1.00 16.13  ? 344 ASN   A CA   1 
ATOM   1454 C  C    . ASN   A 1 99  ? -16.734 6.623   26.866 1.00 18.65  ? 344 ASN   A C    1 
ATOM   1455 O  O    . ASN   A 1 99  ? -17.133 7.277   27.832 1.00 18.94  ? 344 ASN   A O    1 
ATOM   1456 C  CB   . ASN   A 1 99  ? -15.986 7.758   24.770 1.00 16.70  ? 344 ASN   A CB   1 
ATOM   1457 C  CG   . ASN   A 1 99  ? -16.172 7.918   23.262 1.00 17.86  ? 344 ASN   A CG   1 
ATOM   1458 O  OD1  . ASN   A 1 99  ? -16.743 7.047   22.585 1.00 18.77  ? 344 ASN   A OD1  1 
ATOM   1459 N  ND2  . ASN   A 1 99  ? -15.677 9.031   22.724 1.00 17.59  ? 344 ASN   A ND2  1 
ATOM   1460 H  H    . ASN   A 1 99  ? -18.271 8.586   25.157 1.00 18.08  ? 344 ASN   A H    1 
ATOM   1461 H  HA   . ASN   A 1 99  ? -17.284 6.195   24.914 1.00 19.39  ? 344 ASN   A HA   1 
ATOM   1462 H  HB2  . ASN   A 1 99  ? -15.928 8.645   25.159 1.00 20.07  ? 344 ASN   A HB2  1 
ATOM   1463 H  HB3  . ASN   A 1 99  ? -15.158 7.275   24.919 1.00 20.07  ? 344 ASN   A HB3  1 
ATOM   1464 H  HD21 . ASN   A 1 99  ? -15.754 9.171   21.879 1.00 21.14  ? 344 ASN   A HD21 1 
ATOM   1465 H  HD22 . ASN   A 1 99  ? -15.280 9.609   23.221 1.00 21.14  ? 344 ASN   A HD22 1 
ATOM   1466 N  N    . ARG   A 1 100 ? -15.922 5.576   26.976 1.00 19.29  ? 345 ARG   A N    1 
ATOM   1467 C  CA   . ARG   A 1 100 ? -15.451 5.092   28.270 1.00 23.66  ? 345 ARG   A CA   1 
ATOM   1468 C  C    . ARG   A 1 100 ? -14.769 6.222   29.029 1.00 21.58  ? 345 ARG   A C    1 
ATOM   1469 O  O    . ARG   A 1 100 ? -13.884 6.883   28.490 1.00 22.40  ? 345 ARG   A O    1 
ATOM   1470 C  CB   . ARG   A 1 100 ? -14.482 3.932   28.064 1.00 35.49  ? 345 ARG   A CB   1 
ATOM   1471 C  CG   . ARG   A 1 100 ? -13.972 3.305   29.357 1.00 49.62  ? 345 ARG   A CG   1 
ATOM   1472 C  CD   . ARG   A 1 100 ? -13.118 2.069   29.088 1.00 61.54  ? 345 ARG   A CD   1 
ATOM   1473 N  NE   . ARG   A 1 100 ? -12.651 1.456   30.331 1.00 72.60  ? 345 ARG   A NE   1 
ATOM   1474 C  CZ   . ARG   A 1 100 ? -11.916 0.351   30.399 1.00 81.85  ? 345 ARG   A CZ   1 
ATOM   1475 N  NH1  . ARG   A 1 100 ? -11.546 -0.126  31.581 1.00 85.25  ? 345 ARG   A NH1  1 
ATOM   1476 N  NH2  . ARG   A 1 100 ? -11.552 -0.277  29.292 1.00 85.07  ? 345 ARG   A NH2  1 
ATOM   1477 H  H    . ARG   A 1 100 ? -15.624 5.122   26.310 1.00 23.17  ? 345 ARG   A H    1 
ATOM   1478 H  HA   . ARG   A 1 100 ? -16.200 4.773   28.797 1.00 28.43  ? 345 ARG   A HA   1 
ATOM   1479 H  HB2  . ARG   A 1 100 ? -14.933 3.238   27.558 1.00 42.61  ? 345 ARG   A HB2  1 
ATOM   1480 H  HB3  . ARG   A 1 100 ? -13.712 4.256   27.570 1.00 42.61  ? 345 ARG   A HB3  1 
ATOM   1481 H  HG2  . ARG   A 1 100 ? -13.429 3.952   29.834 1.00 59.57  ? 345 ARG   A HG2  1 
ATOM   1482 H  HG3  . ARG   A 1 100 ? -14.728 3.040   29.904 1.00 59.57  ? 345 ARG   A HG3  1 
ATOM   1483 H  HD2  . ARG   A 1 100 ? -13.645 1.414   28.605 1.00 73.88  ? 345 ARG   A HD2  1 
ATOM   1484 H  HD3  . ARG   A 1 100 ? -12.342 2.323   28.564 1.00 73.88  ? 345 ARG   A HD3  1 
ATOM   1485 H  HE   . ARG   A 1 100 ? -12.868 1.837   31.070 1.00 87.14  ? 345 ARG   A HE   1 
ATOM   1486 H  HH11 . ARG   A 1 100 ? -11.781 0.280   32.301 1.00 102.32 ? 345 ARG   A HH11 1 
ATOM   1487 H  HH12 . ARG   A 1 100 ? -11.070 -0.841  31.626 1.00 102.32 ? 345 ARG   A HH12 1 
ATOM   1488 H  HH21 . ARG   A 1 100 ? -11.790 0.030   28.525 1.00 102.11 ? 345 ARG   A HH21 1 
ATOM   1489 H  HH22 . ARG   A 1 100 ? -11.076 -0.991  29.340 1.00 102.11 ? 345 ARG   A HH22 1 
ATOM   1490 N  N    . GLY   A 1 101 ? -15.185 6.429   30.269 1.00 21.49  ? 346 GLY   A N    1 
ATOM   1491 C  CA   . GLY   A 1 101 ? -14.664 7.490   31.111 1.00 22.77  ? 346 GLY   A CA   1 
ATOM   1492 C  C    . GLY   A 1 101 ? -15.351 8.833   30.960 1.00 21.93  ? 346 GLY   A C    1 
ATOM   1493 O  O    . GLY   A 1 101 ? -15.064 9.745   31.738 1.00 22.29  ? 346 GLY   A O    1 
ATOM   1494 H  H    . GLY   A 1 101 ? -15.787 5.952   30.656 1.00 25.82  ? 346 GLY   A H    1 
ATOM   1495 H  HA2  . GLY   A 1 101 ? -14.748 7.219   32.038 1.00 27.35  ? 346 GLY   A HA2  1 
ATOM   1496 H  HA3  . GLY   A 1 101 ? -13.724 7.616   30.903 1.00 27.35  ? 346 GLY   A HA3  1 
ATOM   1497 N  N    . GLU   A 1 102 ? -16.234 8.994   29.988 1.00 20.01  ? 347 GLU   A N    1 
ATOM   1498 C  CA   . GLU   A 1 102 ? -16.907 10.255  29.742 1.00 19.23  ? 347 GLU   A CA   1 
ATOM   1499 C  C    . GLU   A 1 102 ? -18.314 10.242  30.331 1.00 19.66  ? 347 GLU   A C    1 
ATOM   1500 O  O    . GLU   A 1 102 ? -18.900 9.171   30.523 1.00 18.35  ? 347 GLU   A O    1 
ATOM   1501 C  CB   . GLU   A 1 102 ? -16.991 10.515  28.225 1.00 20.60  ? 347 GLU   A CB   1 
ATOM   1502 C  CG   . GLU   A 1 102 ? -15.658 10.337  27.480 1.00 23.70  ? 347 GLU   A CG   1 
ATOM   1503 C  CD   . GLU   A 1 102 ? -14.594 11.381  27.823 1.00 24.03  ? 347 GLU   A CD   1 
ATOM   1504 O  OE1  . GLU   A 1 102 ? -14.924 12.427  28.483 1.00 24.41  ? 347 GLU   A OE1  1 
ATOM   1505 O  OE2  . GLU   A 1 102 ? -13.414 11.176  27.416 1.00 21.70  ? 347 GLU   A OE2  1 
ATOM   1506 H  H    . GLU   A 1 102 ? -16.464 8.368   29.444 1.00 24.04  ? 347 GLU   A H    1 
ATOM   1507 H  HA   . GLU   A 1 102 ? -16.410 10.977  30.156 1.00 23.10  ? 347 GLU   A HA   1 
ATOM   1508 H  HB2  . GLU   A 1 102 ? -17.628 9.894   27.838 1.00 24.75  ? 347 GLU   A HB2  1 
ATOM   1509 H  HB3  . GLU   A 1 102 ? -17.288 11.427  28.082 1.00 24.75  ? 347 GLU   A HB3  1 
ATOM   1510 H  HG2  . GLU   A 1 102 ? -15.294 9.466   27.702 1.00 28.47  ? 347 GLU   A HG2  1 
ATOM   1511 H  HG3  . GLU   A 1 102 ? -15.826 10.394  26.527 1.00 28.47  ? 347 GLU   A HG3  1 
ATOM   1512 N  N    . PRO   A 1 103 ? -18.900 11.404  30.618 1.00 22.23  ? 348 PRO   A N    1 
ATOM   1513 C  CA   . PRO   A 1 103 ? -18.326 12.761  30.501 1.00 23.89  ? 348 PRO   A CA   1 
ATOM   1514 C  C    . PRO   A 1 103 ? -17.464 13.068  31.695 1.00 23.37  ? 348 PRO   A C    1 
ATOM   1515 O  O    . PRO   A 1 103 ? -17.938 12.851  32.796 1.00 22.83  ? 348 PRO   A O    1 
ATOM   1516 C  CB   . PRO   A 1 103 ? -19.551 13.665  30.449 1.00 24.93  ? 348 PRO   A CB   1 
ATOM   1517 C  CG   . PRO   A 1 103 ? -20.581 12.935  31.214 1.00 24.90  ? 348 PRO   A CG   1 
ATOM   1518 C  CD   . PRO   A 1 103 ? -20.317 11.450  31.042 1.00 23.89  ? 348 PRO   A CD   1 
ATOM   1519 H  HA   . PRO   A 1 103 ? -17.825 12.881  29.679 1.00 28.69  ? 348 PRO   A HA   1 
ATOM   1520 H  HB2  . PRO   A 1 103 ? -19.350 14.520  30.860 1.00 29.95  ? 348 PRO   A HB2  1 
ATOM   1521 H  HB3  . PRO   A 1 103 ? -19.828 13.797  29.528 1.00 29.95  ? 348 PRO   A HB3  1 
ATOM   1522 H  HG2  . PRO   A 1 103 ? -20.519 13.182  32.150 1.00 29.91  ? 348 PRO   A HG2  1 
ATOM   1523 H  HG3  . PRO   A 1 103 ? -21.458 13.164  30.868 1.00 29.91  ? 348 PRO   A HG3  1 
ATOM   1524 H  HD2  . PRO   A 1 103 ? -20.442 10.978  31.880 1.00 28.69  ? 348 PRO   A HD2  1 
ATOM   1525 H  HD3  . PRO   A 1 103 ? -20.894 11.073  30.360 1.00 28.69  ? 348 PRO   A HD3  1 
ATOM   1526 N  N    . ASN   A 1 104 ? -16.244 13.581  31.489 1.00 20.80  ? 349 ASN   A N    1 
ATOM   1527 C  CA   . ASN   A 1 104 ? -15.326 13.765  32.604 1.00 21.22  ? 349 ASN   A CA   1 
ATOM   1528 C  C    . ASN   A 1 104 ? -15.038 15.218  32.945 1.00 22.03  ? 349 ASN   A C    1 
ATOM   1529 O  O    . ASN   A 1 104 ? -14.373 15.471  33.957 1.00 21.70  ? 349 ASN   A O    1 
ATOM   1530 C  CB   . ASN   A 1 104 ? -14.016 13.020  32.339 1.00 21.01  ? 349 ASN   A CB   1 
ATOM   1531 C  CG   . ASN   A 1 104 ? -13.319 13.453  31.060 1.00 22.04  ? 349 ASN   A CG   1 
ATOM   1532 O  OD1  . ASN   A 1 104 ? -13.698 14.441  30.403 1.00 18.84  ? 349 ASN   A OD1  1 
ATOM   1533 N  ND2  . ASN   A 1 104 ? -12.252 12.725  30.707 1.00 24.41  ? 349 ASN   A ND2  1 
ATOM   1534 H  H    . ASN   A 1 104 ? -15.938 13.824  30.723 1.00 24.99  ? 349 ASN   A H    1 
ATOM   1535 H  HA   . ASN   A 1 104 ? -15.727 13.373  33.396 1.00 25.50  ? 349 ASN   A HA   1 
ATOM   1536 H  HB2  . ASN   A 1 104 ? -13.408 13.182  33.077 1.00 25.24  ? 349 ASN   A HB2  1 
ATOM   1537 H  HB3  . ASN   A 1 104 ? -14.205 12.071  32.266 1.00 25.24  ? 349 ASN   A HB3  1 
ATOM   1538 H  HD21 . ASN   A 1 104 ? -11.815 12.921  29.993 1.00 29.32  ? 349 ASN   A HD21 1 
ATOM   1539 H  HD22 . ASN   A 1 104 ? -12.004 12.061  31.194 1.00 29.32  ? 349 ASN   A HD22 1 
ATOM   1540 N  N    . ASN   A 1 105 ? -15.554 16.170  32.164 1.00 23.60  ? 350 ASN   A N    1 
ATOM   1541 C  CA   . ASN   A 1 105 ? -15.469 17.604  32.484 1.00 24.62  ? 350 ASN   A CA   1 
ATOM   1542 C  C    . ASN   A 1 105 ? -14.027 18.069  32.728 1.00 27.47  ? 350 ASN   A C    1 
ATOM   1543 O  O    . ASN   A 1 105 ? -13.789 18.957  33.536 1.00 31.14  ? 350 ASN   A O    1 
ATOM   1544 C  CB   . ASN   A 1 105 ? -16.339 17.952  33.701 1.00 24.53  ? 350 ASN   A CB   1 
ATOM   1545 C  CG   . ASN   A 1 105 ? -16.671 19.447  33.778 1.00 25.24  ? 350 ASN   A CG   1 
ATOM   1546 O  OD1  . ASN   A 1 105 ? -17.063 20.063  32.763 1.00 24.68  ? 350 ASN   A OD1  1 
ATOM   1547 N  ND2  . ASN   A 1 105 ? -16.533 20.031  34.967 1.00 26.46  ? 350 ASN   A ND2  1 
ATOM   1548 H  H    . ASN   A 1 105 ? -15.968 16.010  31.427 1.00 28.35  ? 350 ASN   A H    1 
ATOM   1549 H  HA   . ASN   A 1 105 ? -15.800 18.089  31.711 1.00 29.57  ? 350 ASN   A HA   1 
ATOM   1550 H  HB2  . ASN   A 1 105 ? -17.174 17.461  33.644 1.00 29.46  ? 350 ASN   A HB2  1 
ATOM   1551 H  HB3  . ASN   A 1 105 ? -15.865 17.707  34.510 1.00 29.46  ? 350 ASN   A HB3  1 
ATOM   1552 H  HD21 . ASN   A 1 105 ? -16.708 20.868  35.058 1.00 31.78  ? 350 ASN   A HD21 1 
ATOM   1553 H  HD22 . ASN   A 1 105 ? -16.270 19.571  35.644 1.00 31.78  ? 350 ASN   A HD22 1 
ATOM   1554 N  N    . VAL   A 1 106 ? -13.049 17.458  32.055 1.00 25.75  ? 351 VAL   A N    1 
ATOM   1555 C  CA   . VAL   A 1 106 ? -11.649 17.745  32.370 1.00 30.16  ? 351 VAL   A CA   1 
ATOM   1556 C  C    . VAL   A 1 106 ? -11.288 19.127  31.836 1.00 28.48  ? 351 VAL   A C    1 
ATOM   1557 O  O    . VAL   A 1 106 ? -11.342 19.378  30.626 1.00 26.26  ? 351 VAL   A O    1 
ATOM   1558 C  CB   . VAL   A 1 106 ? -10.722 16.648  31.825 1.00 35.66  ? 351 VAL   A CB   1 
ATOM   1559 C  CG1  . VAL   A 1 106 ? -10.901 16.438  30.345 1.00 34.99  ? 351 VAL   A CG1  1 
ATOM   1560 C  CG2  . VAL   A 1 106 ? -9.271  17.007  32.115 1.00 40.30  ? 351 VAL   A CG2  1 
ATOM   1561 H  H    . VAL   A 1 106 ? -13.168 16.886  31.424 1.00 30.93  ? 351 VAL   A H    1 
ATOM   1562 H  HA   . VAL   A 1 106 ? -11.540 17.767  33.334 1.00 36.22  ? 351 VAL   A HA   1 
ATOM   1563 H  HB   . VAL   A 1 106 ? -10.952 15.817  32.269 1.00 42.82  ? 351 VAL   A HB   1 
ATOM   1564 H  HG11 . VAL   A 1 106 ? -10.266 15.770  30.042 1.00 42.01  ? 351 VAL   A HG11 1 
ATOM   1565 H  HG12 . VAL   A 1 106 ? -11.807 16.134  30.177 1.00 42.01  ? 351 VAL   A HG12 1 
ATOM   1566 H  HG13 . VAL   A 1 106 ? -10.743 17.277  29.886 1.00 42.01  ? 351 VAL   A HG13 1 
ATOM   1567 H  HG21 . VAL   A 1 106 ? -8.715  16.229  31.955 1.00 48.39  ? 351 VAL   A HG21 1 
ATOM   1568 H  HG22 . VAL   A 1 106 ? -9.002  17.732  31.528 1.00 48.39  ? 351 VAL   A HG22 1 
ATOM   1569 H  HG23 . VAL   A 1 106 ? -9.193  17.285  33.041 1.00 48.39  ? 351 VAL   A HG23 1 
ATOM   1570 N  N    . GLY   A 1 107 ? -10.925 20.037  32.743 1.00 31.44  ? 352 GLY   A N    1 
ATOM   1571 C  CA   . GLY   A 1 107 ? -10.712 21.426  32.363 1.00 35.00  ? 352 GLY   A CA   1 
ATOM   1572 C  C    . GLY   A 1 107 ? -11.969 22.206  32.015 1.00 36.26  ? 352 GLY   A C    1 
ATOM   1573 O  O    . GLY   A 1 107 ? -11.889 23.201  31.286 1.00 39.11  ? 352 GLY   A O    1 
ATOM   1574 H  H    . GLY   A 1 107 ? -10.797 19.875  33.578 1.00 37.76  ? 352 GLY   A H    1 
ATOM   1575 H  HA2  . GLY   A 1 107 ? -10.276 21.884  33.098 1.00 42.02  ? 352 GLY   A HA2  1 
ATOM   1576 H  HA3  . GLY   A 1 107 ? -10.129 21.448  31.588 1.00 42.02  ? 352 GLY   A HA3  1 
ATOM   1577 N  N    . GLU   A 1 108 ? -13.132 21.778  32.519 1.00 32.12  ? 353 GLU   A N    1 
ATOM   1578 C  CA   . GLU   A 1 108 ? -14.431 22.370  32.231 1.00 31.43  ? 353 GLU   A CA   1 
ATOM   1579 C  C    . GLU   A 1 108 ? -14.846 22.133  30.784 1.00 25.71  ? 353 GLU   A C    1 
ATOM   1580 O  O    . GLU   A 1 108 ? -14.460 22.889  29.870 1.00 25.88  ? 353 GLU   A O    1 
ATOM   1581 C  CB   . GLU   A 1 108 ? -14.460 23.861  32.556 1.00 41.85  ? 353 GLU   A CB   1 
ATOM   1582 C  CG   . GLU   A 1 108 ? -14.668 24.134  34.051 1.00 54.05  ? 353 GLU   A CG   1 
ATOM   1583 C  CD   . GLU   A 1 108 ? -15.987 23.582  34.574 1.00 59.42  ? 353 GLU   A CD   1 
ATOM   1584 O  OE1  . GLU   A 1 108 ? -16.975 23.566  33.807 1.00 59.50  ? 353 GLU   A OE1  1 
ATOM   1585 O  OE2  . GLU   A 1 108 ? -16.035 23.162  35.750 1.00 61.16  ? 353 GLU   A OE2  1 
ATOM   1586 H  H    . GLU   A 1 108 ? -13.193 21.112  33.059 1.00 38.57  ? 353 GLU   A H    1 
ATOM   1587 H  HA   . GLU   A 1 108 ? -15.083 21.937  32.803 1.00 37.75  ? 353 GLU   A HA   1 
ATOM   1588 H  HB2  . GLU   A 1 108 ? -13.616 24.259  32.292 1.00 50.25  ? 353 GLU   A HB2  1 
ATOM   1589 H  HB3  . GLU   A 1 108 ? -15.189 24.277  32.070 1.00 50.25  ? 353 GLU   A HB3  1 
ATOM   1590 H  HG2  . GLU   A 1 108 ? -13.949 23.717  34.551 1.00 64.88  ? 353 GLU   A HG2  1 
ATOM   1591 H  HG3  . GLU   A 1 108 ? -14.664 25.092  34.201 1.00 64.88  ? 353 GLU   A HG3  1 
ATOM   1592 N  N    . GLU   A 1 109 ? -15.660 21.102  30.587 1.00 23.23  ? 354 GLU   A N    1 
ATOM   1593 C  CA   . GLU   A 1 109 ? -16.121 20.676  29.262 1.00 21.66  ? 354 GLU   A CA   1 
ATOM   1594 C  C    . GLU   A 1 109 ? -17.646 20.576  29.325 1.00 22.19  ? 354 GLU   A C    1 
ATOM   1595 O  O    . GLU   A 1 109 ? -18.201 19.693  30.001 1.00 21.61  ? 354 GLU   A O    1 
ATOM   1596 C  CB   . GLU   A 1 109 ? -15.500 19.339  28.876 1.00 19.49  ? 354 GLU   A CB   1 
ATOM   1597 C  CG   . GLU   A 1 109 ? -13.958 19.323  28.926 1.00 20.07  ? 354 GLU   A CG   1 
ATOM   1598 C  CD   . GLU   A 1 109 ? -13.352 17.997  28.500 1.00 21.83  ? 354 GLU   A CD   1 
ATOM   1599 O  OE1  . GLU   A 1 109 ? -13.762 16.938  29.012 1.00 21.31  ? 354 GLU   A OE1  1 
ATOM   1600 O  OE2  . GLU   A 1 109 ? -12.452 18.020  27.631 1.00 23.20  ? 354 GLU   A OE2  1 
ATOM   1601 H  H    . GLU   A 1 109 ? -15.970 20.616  31.225 1.00 27.90  ? 354 GLU   A H    1 
ATOM   1602 H  HA   . GLU   A 1 109 ? -15.873 21.330  28.591 1.00 26.02  ? 354 GLU   A HA   1 
ATOM   1603 H  HB2  . GLU   A 1 109 ? -15.821 18.659  29.489 1.00 23.41  ? 354 GLU   A HB2  1 
ATOM   1604 H  HB3  . GLU   A 1 109 ? -15.768 19.123  27.970 1.00 23.41  ? 354 GLU   A HB3  1 
ATOM   1605 H  HG2  . GLU   A 1 109 ? -13.618 20.010  28.330 1.00 24.11  ? 354 GLU   A HG2  1 
ATOM   1606 H  HG3  . GLU   A 1 109 ? -13.672 19.502  29.835 1.00 24.11  ? 354 GLU   A HG3  1 
ATOM   1607 N  N    . ASP   A 1 110 ? -18.337 21.417  28.559 1.00 20.62  ? 355 ASP   A N    1 
ATOM   1608 C  CA   . ASP   A 1 110 ? -19.781 21.536  28.712 1.00 20.48  ? 355 ASP   A CA   1 
ATOM   1609 C  C    . ASP   A 1 110 ? -20.562 21.295  27.417 1.00 19.62  ? 355 ASP   A C    1 
ATOM   1610 O  O    . ASP   A 1 110 ? -21.783 21.463  27.412 1.00 21.83  ? 355 ASP   A O    1 
ATOM   1611 C  CB   . ASP   A 1 110 ? -20.123 22.912  29.279 1.00 22.03  ? 355 ASP   A CB   1 
ATOM   1612 C  CG   . ASP   A 1 110 ? -19.532 23.138  30.686 1.00 21.43  ? 355 ASP   A CG   1 
ATOM   1613 O  OD1  . ASP   A 1 110 ? -19.180 22.154  31.393 1.00 18.85  ? 355 ASP   A OD1  1 
ATOM   1614 O  OD2  . ASP   A 1 110 ? -19.450 24.315  31.093 1.00 20.87  ? 355 ASP   A OD2  1 
ATOM   1615 H  H    . ASP   A 1 110 ? -17.993 21.921  27.952 1.00 24.77  ? 355 ASP   A H    1 
ATOM   1616 H  HA   . ASP   A 1 110 ? -20.075 20.857  29.339 1.00 24.60  ? 355 ASP   A HA   1 
ATOM   1617 H  HB2  . ASP   A 1 110 ? -19.765 23.595  28.690 1.00 26.46  ? 355 ASP   A HB2  1 
ATOM   1618 H  HB3  . ASP   A 1 110 ? -21.087 22.998  29.341 1.00 26.46  ? 355 ASP   A HB3  1 
ATOM   1619 N  N    . CYS   A 1 111 ? -19.907 20.849  26.343 1.00 16.91  ? 356 CYS   A N    1 
ATOM   1620 C  CA   . CYS   A 1 111 ? -20.535 20.652  25.049 1.00 15.64  ? 356 CYS   A CA   1 
ATOM   1621 C  C    . CYS   A 1 111 ? -20.175 19.263  24.541 1.00 15.03  ? 356 CYS   A C    1 
ATOM   1622 O  O    . CYS   A 1 111 ? -19.040 18.819  24.730 1.00 15.25  ? 356 CYS   A O    1 
ATOM   1623 C  CB   . CYS   A 1 111 ? -20.053 21.723  24.072 1.00 16.84  ? 356 CYS   A CB   1 
ATOM   1624 S  SG   . CYS   A 1 111 ? -20.702 23.406  24.528 1.00 24.22  ? 356 CYS   A SG   1 
ATOM   1625 H  H    . CYS   A 1 111 ? -19.071 20.650  26.348 1.00 20.32  ? 356 CYS   A H    1 
ATOM   1626 H  HA   . CYS   A 1 111 ? -21.501 20.705  25.113 1.00 18.80  ? 356 CYS   A HA   1 
ATOM   1627 H  HB2  . CYS   A 1 111 ? -19.084 21.756  24.084 1.00 20.24  ? 356 CYS   A HB2  1 
ATOM   1628 H  HB3  . CYS   A 1 111 ? -20.367 21.507  23.179 1.00 20.24  ? 356 CYS   A HB3  1 
ATOM   1629 N  N    . ALA   A 1 112 ? -21.151 18.582  23.903 1.00 14.70  ? 357 ALA   A N    1 
ATOM   1630 C  CA   . ALA   A 1 112 ? -20.974 17.211  23.461 1.00 14.95  ? 357 ALA   A CA   1 
ATOM   1631 C  C    . ALA   A 1 112 ? -20.605 17.120  21.991 1.00 15.58  ? 357 ALA   A C    1 
ATOM   1632 O  O    . ALA   A 1 112 ? -21.118 17.898  21.158 1.00 13.54  ? 357 ALA   A O    1 
ATOM   1633 C  CB   . ALA   A 1 112 ? -22.249 16.390  23.682 1.00 15.41  ? 357 ALA   A CB   1 
ATOM   1634 H  H    . ALA   A 1 112 ? -21.925 18.910  23.720 1.00 17.50  ? 357 ALA   A H    1 
ATOM   1635 H  HA   . ALA   A 1 112 ? -20.243 16.838  23.978 1.00 17.96  ? 357 ALA   A HA   1 
ATOM   1636 H  HB1  . ALA   A 1 112 ? -22.090 15.476  23.399 1.00 18.52  ? 357 ALA   A HB1  1 
ATOM   1637 H  HB2  . ALA   A 1 112 ? -22.478 16.410  24.624 1.00 18.52  ? 357 ALA   A HB2  1 
ATOM   1638 H  HB3  . ALA   A 1 112 ? -22.968 16.778  23.159 1.00 18.52  ? 357 ALA   A HB3  1 
ATOM   1639 N  N    . GLU   A 1 113 ? -19.751 16.123  21.672 1.00 18.54  ? 358 GLU   A N    1 
ATOM   1640 C  CA   . GLU   A 1 113 ? -19.275 15.876  20.306 1.00 18.36  ? 358 GLU   A CA   1 
ATOM   1641 C  C    . GLU   A 1 113 ? -19.291 14.380  19.997 1.00 17.34  ? 358 GLU   A C    1 
ATOM   1642 O  O    . GLU   A 1 113 ? -19.201 13.537  20.902 1.00 19.45  ? 358 GLU   A O    1 
ATOM   1643 C  CB   . GLU   A 1 113 ? -17.814 16.395  20.111 1.00 18.91  ? 358 GLU   A CB   1 
ATOM   1644 C  CG   . GLU   A 1 113 ? -16.833 15.774  21.111 1.00 20.00  ? 358 GLU   A CG   1 
ATOM   1645 C  CD   . GLU   A 1 113 ? -15.380 15.774  20.643 1.00 21.22  ? 358 GLU   A CD   1 
ATOM   1646 O  OE1  . GLU   A 1 113 ? -14.479 15.486  21.479 1.00 22.31  ? 358 GLU   A OE1  1 
ATOM   1647 O  OE2  . GLU   A 1 113 ? -15.113 16.076  19.461 1.00 21.00  ? 358 GLU   A OE2  1 
ATOM   1648 H  H    . GLU   A 1 113 ? -19.432 15.570  22.247 1.00 22.28  ? 358 GLU   A H    1 
ATOM   1649 H  HA   . GLU   A 1 113 ? -19.874 16.325  19.690 1.00 22.06  ? 358 GLU   A HA   1 
ATOM   1650 H  HB2  . GLU   A 1 113 ? -17.514 16.171  19.216 1.00 22.72  ? 358 GLU   A HB2  1 
ATOM   1651 H  HB3  . GLU   A 1 113 ? -17.801 17.358  20.234 1.00 22.72  ? 358 GLU   A HB3  1 
ATOM   1652 H  HG2  . GLU   A 1 113 ? -16.874 16.276  21.940 1.00 24.03  ? 358 GLU   A HG2  1 
ATOM   1653 H  HG3  . GLU   A 1 113 ? -17.091 14.852  21.269 1.00 24.03  ? 358 GLU   A HG3  1 
ATOM   1654 N  N    . PHE   A 1 114 ? -19.424 14.057  18.718 1.00 14.41  ? 359 PHE   A N    1 
ATOM   1655 C  CA   . PHE   A 1 114 ? -19.123 12.725  18.224 1.00 15.36  ? 359 PHE   A CA   1 
ATOM   1656 C  C    . PHE   A 1 114 ? -17.611 12.584  18.132 1.00 16.24  ? 359 PHE   A C    1 
ATOM   1657 O  O    . PHE   A 1 114 ? -16.949 13.414  17.501 1.00 17.66  ? 359 PHE   A O    1 
ATOM   1658 C  CB   . PHE   A 1 114 ? -19.739 12.492  16.831 1.00 15.20  ? 359 PHE   A CB   1 
ATOM   1659 C  CG   . PHE   A 1 114 ? -21.234 12.665  16.789 1.00 16.62  ? 359 PHE   A CG   1 
ATOM   1660 C  CD1  . PHE   A 1 114 ? -22.065 11.627  17.138 1.00 17.61  ? 359 PHE   A CD1  1 
ATOM   1661 C  CD2  . PHE   A 1 114 ? -21.795 13.860  16.374 1.00 15.38  ? 359 PHE   A CD2  1 
ATOM   1662 C  CE1  . PHE   A 1 114 ? -23.452 11.787  17.082 1.00 17.85  ? 359 PHE   A CE1  1 
ATOM   1663 C  CE2  . PHE   A 1 114 ? -23.145 14.039  16.338 1.00 15.41  ? 359 PHE   A CE2  1 
ATOM   1664 C  CZ   . PHE   A 1 114 ? -23.981 13.011  16.687 1.00 17.01  ? 359 PHE   A CZ   1 
ATOM   1665 H  H    . PHE   A 1 114 ? -19.691 14.601  18.108 1.00 17.32  ? 359 PHE   A H    1 
ATOM   1666 H  HA   . PHE   A 1 114 ? -19.495 12.062  18.827 1.00 18.46  ? 359 PHE   A HA   1 
ATOM   1667 H  HB2  . PHE   A 1 114 ? -19.350 13.127  16.209 1.00 18.27  ? 359 PHE   A HB2  1 
ATOM   1668 H  HB3  . PHE   A 1 114 ? -19.538 11.586  16.550 1.00 18.27  ? 359 PHE   A HB3  1 
ATOM   1669 H  HD1  . PHE   A 1 114 ? -21.702 10.816  17.412 1.00 21.17  ? 359 PHE   A HD1  1 
ATOM   1670 H  HD2  . PHE   A 1 114 ? -21.237 14.557  16.113 1.00 18.48  ? 359 PHE   A HD2  1 
ATOM   1671 H  HE1  . PHE   A 1 114 ? -24.016 11.083  17.308 1.00 21.44  ? 359 PHE   A HE1  1 
ATOM   1672 H  HE2  . PHE   A 1 114 ? -23.499 14.859  16.078 1.00 18.52  ? 359 PHE   A HE2  1 
ATOM   1673 H  HZ   . PHE   A 1 114 ? -24.903 13.131  16.658 1.00 20.45  ? 359 PHE   A HZ   1 
ATOM   1674 N  N    . SER   A 1 115 ? -17.074 11.546  18.763 1.00 16.90  ? 360 SER   A N    1 
ATOM   1675 C  CA   . SER   A 1 115 ? -15.635 11.333  18.854 1.00 19.01  ? 360 SER   A CA   1 
ATOM   1676 C  C    . SER   A 1 115 ? -15.373 9.838   18.759 1.00 19.96  ? 360 SER   A C    1 
ATOM   1677 O  O    . SER   A 1 115 ? -15.622 9.094   19.718 1.00 19.33  ? 360 SER   A O    1 
ATOM   1678 C  CB   . SER   A 1 115 ? -15.086 11.888  20.165 1.00 20.74  ? 360 SER   A CB   1 
ATOM   1679 O  OG   . SER   A 1 115 ? -13.732 11.449  20.382 1.00 22.00  ? 360 SER   A OG   1 
ATOM   1680 H  H    . SER   A 1 115 ? -17.536 10.936  19.156 1.00 20.31  ? 360 SER   A H    1 
ATOM   1681 H  HA   . SER   A 1 115 ? -15.193 11.776  18.113 1.00 22.84  ? 360 SER   A HA   1 
ATOM   1682 H  HB2  . SER   A 1 115 ? -15.101 12.857  20.128 1.00 24.92  ? 360 SER   A HB2  1 
ATOM   1683 H  HB3  . SER   A 1 115 ? -15.640 11.576  20.897 1.00 24.92  ? 360 SER   A HB3  1 
ATOM   1684 H  HG   . SER   A 1 115 ? -13.593 11.345  21.204 1.00 26.43  ? 360 SER   A HG   1 
ATOM   1685 N  N    . GLY   A 1 116 ? -14.865 9.398   17.614 1.00 19.77  ? 361 GLY   A N    1 
ATOM   1686 C  CA   . GLY   A 1 116 ? -14.621 7.970   17.438 1.00 19.67  ? 361 GLY   A CA   1 
ATOM   1687 C  C    . GLY   A 1 116 ? -15.897 7.171   17.407 1.00 19.87  ? 361 GLY   A C    1 
ATOM   1688 O  O    . GLY   A 1 116 ? -16.753 7.394   16.554 1.00 19.40  ? 361 GLY   A O    1 
ATOM   1689 H  H    . GLY   A 1 116 ? -14.658 9.891   16.941 1.00 23.76  ? 361 GLY   A H    1 
ATOM   1690 H  HA2  . GLY   A 1 116 ? -14.148 7.825   16.604 1.00 23.63  ? 361 GLY   A HA2  1 
ATOM   1691 H  HA3  . GLY   A 1 116 ? -14.074 7.645   18.171 1.00 23.63  ? 361 GLY   A HA3  1 
ATOM   1692 N  N    . ASN   A 1 117 ? -16.052 6.232   18.335 1.00 20.63  ? 362 ASN   A N    1 
ATOM   1693 C  CA   . ASN   A 1 117 ? -17.238 5.376   18.337 1.00 23.03  ? 362 ASN   A CA   1 
ATOM   1694 C  C    . ASN   A 1 117 ? -18.363 5.895   19.221 1.00 19.25  ? 362 ASN   A C    1 
ATOM   1695 O  O    . ASN   A 1 117 ? -19.426 5.271   19.271 1.00 18.37  ? 362 ASN   A O    1 
ATOM   1696 C  CB   . ASN   A 1 117 ? -16.858 3.971   18.830 1.00 32.67  ? 362 ASN   A CB   1 
ATOM   1697 C  CG   . ASN   A 1 117 ? -15.852 3.288   17.918 1.00 42.63  ? 362 ASN   A CG   1 
ATOM   1698 O  OD1  . ASN   A 1 117 ? -16.037 3.230   16.699 1.00 50.18  ? 362 ASN   A OD1  1 
ATOM   1699 N  ND2  . ASN   A 1 117 ? -14.770 2.802   18.505 1.00 41.94  ? 362 ASN   A ND2  1 
ATOM   1700 H  H    . ASN   A 1 117 ? -15.491 6.071   18.967 1.00 24.78  ? 362 ASN   A H    1 
ATOM   1701 H  HA   . ASN   A 1 117 ? -17.572 5.321   17.428 1.00 27.66  ? 362 ASN   A HA   1 
ATOM   1702 H  HB2  . ASN   A 1 117 ? -16.464 4.041   19.714 1.00 39.23  ? 362 ASN   A HB2  1 
ATOM   1703 H  HB3  . ASN   A 1 117 ? -17.655 3.420   18.865 1.00 39.23  ? 362 ASN   A HB3  1 
ATOM   1704 H  HD21 . ASN   A 1 117 ? -14.669 2.883   19.356 1.00 50.36  ? 362 ASN   A HD21 1 
ATOM   1705 H  HD22 . ASN   A 1 117 ? -14.168 2.406   18.037 1.00 50.36  ? 362 ASN   A HD22 1 
ATOM   1706 N  N    . GLY   A 1 118 ? -18.143 6.956   19.980 1.00 17.91  ? 363 GLY   A N    1 
ATOM   1707 C  CA   . GLY   A 1 118 ? -19.144 7.434   20.918 1.00 15.95  ? 363 GLY   A CA   1 
ATOM   1708 C  C    . GLY   A 1 118 ? -19.100 8.922   21.090 1.00 15.33  ? 363 GLY   A C    1 
ATOM   1709 O  O    . GLY   A 1 118 ? -18.681 9.655   20.185 1.00 14.96  ? 363 GLY   A O    1 
ATOM   1710 H  H    . GLY   A 1 118 ? -17.418 7.418   19.968 1.00 21.52  ? 363 GLY   A H    1 
ATOM   1711 H  HA2  . GLY   A 1 118 ? -20.026 7.189   20.599 1.00 19.17  ? 363 GLY   A HA2  1 
ATOM   1712 H  HA3  . GLY   A 1 118 ? -18.995 7.022   21.784 1.00 19.17  ? 363 GLY   A HA3  1 
ATOM   1713 N  N    . TRP   A 1 119 ? -19.541 9.371   22.268 1.00 15.21  ? 364 TRP   A N    1 
ATOM   1714 C  CA   . TRP   A 1 119 ? -19.615 10.791  22.588 1.00 14.86  ? 364 TRP   A CA   1 
ATOM   1715 C  C    . TRP   A 1 119 ? -18.552 11.194  23.597 1.00 16.65  ? 364 TRP   A C    1 
ATOM   1716 O  O    . TRP   A 1 119 ? -18.193 10.404  24.477 1.00 17.88  ? 364 TRP   A O    1 
ATOM   1717 C  CB   . TRP   A 1 119 ? -20.973 11.136  23.188 1.00 14.34  ? 364 TRP   A CB   1 
ATOM   1718 C  CG   . TRP   A 1 119 ? -22.187 10.835  22.380 1.00 14.40  ? 364 TRP   A CG   1 
ATOM   1719 C  CD1  . TRP   A 1 119 ? -22.253 10.363  21.096 1.00 15.61  ? 364 TRP   A CD1  1 
ATOM   1720 C  CD2  . TRP   A 1 119 ? -23.554 10.975  22.828 1.00 14.23  ? 364 TRP   A CD2  1 
ATOM   1721 N  NE1  . TRP   A 1 119 ? -23.570 10.235  20.726 1.00 15.74  ? 364 TRP   A NE1  1 
ATOM   1722 C  CE2  . TRP   A 1 119 ? -24.380 10.606  21.764 1.00 15.50  ? 364 TRP   A CE2  1 
ATOM   1723 C  CE3  . TRP   A 1 119 ? -24.141 11.391  24.028 1.00 14.24  ? 364 TRP   A CE3  1 
ATOM   1724 C  CZ2  . TRP   A 1 119 ? -25.763 10.607  21.864 1.00 16.35  ? 364 TRP   A CZ2  1 
ATOM   1725 C  CZ3  . TRP   A 1 119 ? -25.512 11.399  24.124 1.00 14.70  ? 364 TRP   A CZ3  1 
ATOM   1726 C  CH2  . TRP   A 1 119 ? -26.305 11.023  23.033 1.00 15.99  ? 364 TRP   A CH2  1 
ATOM   1727 H  H    . TRP   A 1 119 ? -19.806 8.858   22.906 1.00 18.28  ? 364 TRP   A H    1 
ATOM   1728 H  HA   . TRP   A 1 119 ? -19.468 11.290  21.769 1.00 17.85  ? 364 TRP   A HA   1 
ATOM   1729 H  HB2  . TRP   A 1 119 ? -21.063 10.644  24.019 1.00 17.23  ? 364 TRP   A HB2  1 
ATOM   1730 H  HB3  . TRP   A 1 119 ? -20.985 12.089  23.364 1.00 17.23  ? 364 TRP   A HB3  1 
ATOM   1731 H  HD1  . TRP   A 1 119 ? -21.521 10.160  20.559 1.00 18.76  ? 364 TRP   A HD1  1 
ATOM   1732 H  HE1  . TRP   A 1 119 ? -23.844 9.964   19.957 1.00 18.92  ? 364 TRP   A HE1  1 
ATOM   1733 H  HE3  . TRP   A 1 119 ? -23.614 11.658  24.746 1.00 17.11  ? 364 TRP   A HE3  1 
ATOM   1734 H  HZ2  . TRP   A 1 119 ? -26.299 10.333  21.155 1.00 19.65  ? 364 TRP   A HZ2  1 
ATOM   1735 H  HZ3  . TRP   A 1 119 ? -25.917 11.656  24.921 1.00 17.67  ? 364 TRP   A HZ3  1 
ATOM   1736 H  HH2  . TRP   A 1 119 ? -27.231 11.059  23.113 1.00 19.21  ? 364 TRP   A HH2  1 
ATOM   1737 N  N    . ASN   A 1 120 ? -18.102 12.464  23.506 1.00 15.87  ? 365 ASN   A N    1 
ATOM   1738 C  CA   . ASN   A 1 120 ? -17.197 13.073  24.481 1.00 14.62  ? 365 ASN   A CA   1 
ATOM   1739 C  C    . ASN   A 1 120 ? -17.685 14.478  24.836 1.00 14.85  ? 365 ASN   A C    1 
ATOM   1740 O  O    . ASN   A 1 120 ? -18.259 15.165  24.008 1.00 15.15  ? 365 ASN   A O    1 
ATOM   1741 C  CB   . ASN   A 1 120 ? -15.761 13.179  23.948 1.00 14.53  ? 365 ASN   A CB   1 
ATOM   1742 C  CG   . ASN   A 1 120 ? -14.852 13.958  24.855 1.00 16.45  ? 365 ASN   A CG   1 
ATOM   1743 O  OD1  . ASN   A 1 120 ? -14.749 13.668  26.059 1.00 15.53  ? 365 ASN   A OD1  1 
ATOM   1744 N  ND2  . ASN   A 1 120 ? -14.181 14.980  24.297 1.00 16.97  ? 365 ASN   A ND2  1 
ATOM   1745 H  H    . ASN   A 1 120 ? -18.318 12.999  22.868 1.00 19.07  ? 365 ASN   A H    1 
ATOM   1746 H  HA   . ASN   A 1 120 ? -17.199 12.526  25.282 1.00 17.41  ? 365 ASN   A HA   1 
ATOM   1747 H  HB2  . ASN   A 1 120 ? -15.395 12.286  23.853 1.00 17.47  ? 365 ASN   A HB2  1 
ATOM   1748 H  HB3  . ASN   A 1 120 ? -15.777 13.624  23.087 1.00 17.47  ? 365 ASN   A HB3  1 
ATOM   1749 H  HD21 . ASN   A 1 120 ? -13.648 15.457  24.775 1.00 20.40  ? 365 ASN   A HD21 1 
ATOM   1750 H  HD22 . ASN   A 1 120 ? -14.285 15.158  23.462 1.00 20.40  ? 365 ASN   A HD22 1 
ATOM   1751 N  N    . ASP   A 1 121 ? -17.457 14.900  26.078 1.00 15.39  ? 366 ASP   A N    1 
ATOM   1752 C  CA   . ASP   A 1 121 ? -17.627 16.307  26.426 1.00 16.41  ? 366 ASP   A CA   1 
ATOM   1753 C  C    . ASP   A 1 121 ? -16.297 17.020  26.181 1.00 18.10  ? 366 ASP   A C    1 
ATOM   1754 O  O    . ASP   A 1 121 ? -15.234 16.522  26.574 1.00 17.63  ? 366 ASP   A O    1 
ATOM   1755 C  CB   . ASP   A 1 121 ? -18.112 16.493  27.869 1.00 17.85  ? 366 ASP   A CB   1 
ATOM   1756 C  CG   . ASP   A 1 121 ? -17.198 15.861  28.912 1.00 18.29  ? 366 ASP   A CG   1 
ATOM   1757 O  OD1  . ASP   A 1 121 ? -16.442 14.881  28.603 1.00 16.48  ? 366 ASP   A OD1  1 
ATOM   1758 O  OD2  . ASP   A 1 121 ? -17.251 16.337  30.078 1.00 18.34  ? 366 ASP   A OD2  1 
ATOM   1759 H  H    . ASP   A 1 121 ? -17.207 14.395  26.728 1.00 18.33  ? 366 ASP   A H    1 
ATOM   1760 H  HA   . ASP   A 1 121 ? -18.312 16.707  25.868 1.00 19.72  ? 366 ASP   A HA   1 
ATOM   1761 H  HB2  . ASP   A 1 121 ? -18.166 17.442  28.060 1.00 21.45  ? 366 ASP   A HB2  1 
ATOM   1762 H  HB3  . ASP   A 1 121 ? -18.988 16.086  27.958 1.00 21.45  ? 366 ASP   A HB3  1 
ATOM   1763 N  N    . ASP   A 1 122 ? -16.357 18.171  25.496 1.00 17.99  ? 367 ASP   A N    1 
ATOM   1764 C  CA   . ASP   A 1 122 ? -15.156 18.952  25.207 1.00 16.36  ? 367 ASP   A CA   1 
ATOM   1765 C  C    . ASP   A 1 122 ? -15.435 20.428  25.512 1.00 16.32  ? 367 ASP   A C    1 
ATOM   1766 O  O    . ASP   A 1 122 ? -16.563 20.818  25.856 1.00 16.25  ? 367 ASP   A O    1 
ATOM   1767 C  CB   . ASP   A 1 122 ? -14.730 18.764  23.754 1.00 16.79  ? 367 ASP   A CB   1 
ATOM   1768 C  CG   . ASP   A 1 122 ? -13.203 18.816  23.557 1.00 20.92  ? 367 ASP   A CG   1 
ATOM   1769 O  OD1  . ASP   A 1 122 ? -12.514 19.458  24.393 1.00 23.48  ? 367 ASP   A OD1  1 
ATOM   1770 O  OD2  . ASP   A 1 122 ? -12.701 18.244  22.552 1.00 20.99  ? 367 ASP   A OD2  1 
ATOM   1771 H  H    . ASP   A 1 122 ? -17.085 18.514  25.191 1.00 21.61  ? 367 ASP   A H    1 
ATOM   1772 H  HA   . ASP   A 1 122 ? -14.431 18.658  25.781 1.00 19.66  ? 367 ASP   A HA   1 
ATOM   1773 H  HB2  . ASP   A 1 122 ? -15.041 17.899  23.445 1.00 20.18  ? 367 ASP   A HB2  1 
ATOM   1774 H  HB3  . ASP   A 1 122 ? -15.124 19.469  23.217 1.00 20.18  ? 367 ASP   A HB3  1 
ATOM   1775 N  N    . LYS   A 1 123 ? -14.406 21.255  25.328 1.00 18.64  ? 368 LYS   A N    1 
ATOM   1776 C  CA   . LYS   A 1 123 ? -14.509 22.688  25.604 1.00 20.83  ? 368 LYS   A CA   1 
ATOM   1777 C  C    . LYS   A 1 123 ? -15.309 23.394  24.508 1.00 19.44  ? 368 LYS   A C    1 
ATOM   1778 O  O    . LYS   A 1 123 ? -15.009 23.256  23.308 1.00 17.80  ? 368 LYS   A O    1 
ATOM   1779 C  CB   . LYS   A 1 123 ? -13.126 23.309  25.708 1.00 24.30  ? 368 LYS   A CB   1 
ATOM   1780 C  CG   . LYS   A 1 123 ? -12.334 22.881  26.942 1.00 33.69  ? 368 LYS   A CG   1 
ATOM   1781 C  CD   . LYS   A 1 123 ? -11.460 21.662  26.668 1.00 44.10  ? 368 LYS   A CD   1 
ATOM   1782 C  CE   . LYS   A 1 123 ? -10.765 21.154  27.947 1.00 49.53  ? 368 LYS   A CE   1 
ATOM   1783 N  NZ   . LYS   A 1 123 ? -10.216 19.774  27.782 1.00 49.42  ? 368 LYS   A NZ   1 
ATOM   1784 H  H    . LYS   A 1 123 ? -13.633 21.010  25.042 1.00 22.39  ? 368 LYS   A H    1 
ATOM   1785 H  HA   . LYS   A 1 123 ? -14.973 22.810  26.447 1.00 25.02  ? 368 LYS   A HA   1 
ATOM   1786 H  HB2  . LYS   A 1 123 ? -12.612 23.053  24.927 1.00 29.19  ? 368 LYS   A HB2  1 
ATOM   1787 H  HB3  . LYS   A 1 123 ? -13.221 24.273  25.741 1.00 29.19  ? 368 LYS   A HB3  1 
ATOM   1788 H  HG2  . LYS   A 1 123 ? -11.758 23.610  27.220 1.00 40.45  ? 368 LYS   A HG2  1 
ATOM   1789 H  HG3  . LYS   A 1 123 ? -12.952 22.655  27.655 1.00 40.45  ? 368 LYS   A HG3  1 
ATOM   1790 H  HD2  . LYS   A 1 123 ? -12.011 20.945  26.318 1.00 52.95  ? 368 LYS   A HD2  1 
ATOM   1791 H  HD3  . LYS   A 1 123 ? -10.774 21.898  26.024 1.00 52.95  ? 368 LYS   A HD3  1 
ATOM   1792 H  HE2  . LYS   A 1 123 ? -10.030 21.747  28.167 1.00 59.47  ? 368 LYS   A HE2  1 
ATOM   1793 H  HE3  . LYS   A 1 123 ? -11.408 21.138  28.674 1.00 59.47  ? 368 LYS   A HE3  1 
ATOM   1794 H  HZ1  . LYS   A 1 123 ? -9.833  19.507  28.539 1.00 59.34  ? 368 LYS   A HZ1  1 
ATOM   1795 H  HZ2  . LYS   A 1 123 ? -10.871 19.209  27.574 1.00 59.34  ? 368 LYS   A HZ2  1 
ATOM   1796 H  HZ3  . LYS   A 1 123 ? -9.609  19.764  27.131 1.00 59.34  ? 368 LYS   A HZ3  1 
ATOM   1797 N  N    . CYS   A 1 124 ? -16.293 24.190  24.929 1.00 21.99  ? 369 CYS   A N    1 
ATOM   1798 C  CA   . CYS   A 1 124 ? -17.212 24.806  23.984 1.00 26.07  ? 369 CYS   A CA   1 
ATOM   1799 C  C    . CYS   A 1 124 ? -16.532 25.811  23.063 1.00 23.26  ? 369 CYS   A C    1 
ATOM   1800 O  O    . CYS   A 1 124 ? -17.054 26.076  21.975 1.00 19.66  ? 369 CYS   A O    1 
ATOM   1801 C  CB   . CYS   A 1 124 ? -18.361 25.468  24.756 1.00 34.93  ? 369 CYS   A CB   1 
ATOM   1802 S  SG   . CYS   A 1 124 ? -19.328 24.246  25.780 1.00 40.66  ? 369 CYS   A SG   1 
ATOM   1803 H  H    . CYS   A 1 124 ? -16.448 24.387  25.752 1.00 26.42  ? 369 CYS   A H    1 
ATOM   1804 H  HA   . CYS   A 1 124 ? -17.586 24.117  23.413 1.00 31.31  ? 369 CYS   A HA   1 
ATOM   1805 H  HB2  . CYS   A 1 124 ? -17.995 26.140  25.353 1.00 41.95  ? 369 CYS   A HB2  1 
ATOM   1806 H  HB3  . CYS   A 1 124 ? -18.970 25.882  24.124 1.00 41.95  ? 369 CYS   A HB3  1 
ATOM   1807 N  N    . ASN   A 1 125 ? -15.385 26.362  23.471 1.00 23.01  ? 370 ASN   A N    1 
ATOM   1808 C  CA   . ASN   A 1 125 ? -14.660 27.322  22.650 1.00 22.99  ? 370 ASN   A CA   1 
ATOM   1809 C  C    . ASN   A 1 125 ? -13.819 26.684  21.566 1.00 21.23  ? 370 ASN   A C    1 
ATOM   1810 O  O    . ASN   A 1 125 ? -13.269 27.404  20.734 1.00 21.29  ? 370 ASN   A O    1 
ATOM   1811 C  CB   . ASN   A 1 125 ? -13.738 28.190  23.534 1.00 30.76  ? 370 ASN   A CB   1 
ATOM   1812 C  CG   . ASN   A 1 125 ? -12.761 27.347  24.342 1.00 42.15  ? 370 ASN   A CG   1 
ATOM   1813 O  OD1  . ASN   A 1 125 ? -13.154 26.386  25.009 1.00 43.02  ? 370 ASN   A OD1  1 
ATOM   1814 N  ND2  . ASN   A 1 125 ? -11.495 27.696  24.283 1.00 50.84  ? 370 ASN   A ND2  1 
ATOM   1815 H  H    . ASN   A 1 125 ? -15.007 26.192  24.224 1.00 27.64  ? 370 ASN   A H    1 
ATOM   1816 H  HA   . ASN   A 1 125 ? -15.316 27.895  22.223 1.00 27.62  ? 370 ASN   A HA   1 
ATOM   1817 H  HB2  . ASN   A 1 125 ? -13.225 28.788  22.968 1.00 36.95  ? 370 ASN   A HB2  1 
ATOM   1818 H  HB3  . ASN   A 1 125 ? -14.280 28.703  24.154 1.00 36.95  ? 370 ASN   A HB3  1 
ATOM   1819 H  HD21 . ASN   A 1 125 ? -11.257 28.369  23.805 1.00 61.04  ? 370 ASN   A HD21 1 
ATOM   1820 H  HD22 . ASN   A 1 125 ? -10.905 27.250  24.722 1.00 61.04  ? 370 ASN   A HD22 1 
ATOM   1821 N  N    . LEU   A 1 126 ? -13.722 25.362  21.529 1.00 22.57  ? 371 LEU   A N    1 
ATOM   1822 C  CA   . LEU   A 1 126 ? -12.896 24.681  20.542 1.00 26.61  ? 371 LEU   A CA   1 
ATOM   1823 C  C    . LEU   A 1 126 ? -13.643 24.590  19.218 1.00 21.59  ? 371 LEU   A C    1 
ATOM   1824 O  O    . LEU   A 1 126 ? -14.870 24.394  19.188 1.00 19.18  ? 371 LEU   A O    1 
ATOM   1825 C  CB   . LEU   A 1 126 ? -12.524 23.281  21.031 1.00 36.62  ? 371 LEU   A CB   1 
ATOM   1826 C  CG   . LEU   A 1 126 ? -11.432 22.552  20.252 1.00 48.74  ? 371 LEU   A CG   1 
ATOM   1827 C  CD1  . LEU   A 1 126 ? -10.118 23.322  20.278 1.00 51.88  ? 371 LEU   A CD1  1 
ATOM   1828 C  CD2  . LEU   A 1 126 ? -11.228 21.142  20.804 1.00 55.41  ? 371 LEU   A CD2  1 
ATOM   1829 H  H    . LEU   A 1 126 ? -14.130 24.831  22.068 1.00 27.11  ? 371 LEU   A H    1 
ATOM   1830 H  HA   . LEU   A 1 126 ? -12.074 25.177  20.403 1.00 31.96  ? 371 LEU   A HA   1 
ATOM   1831 H  HB2  . LEU   A 1 126 ? -12.218 23.355  21.949 1.00 43.97  ? 371 LEU   A HB2  1 
ATOM   1832 H  HB3  . LEU   A 1 126 ? -13.320 22.728  20.991 1.00 43.97  ? 371 LEU   A HB3  1 
ATOM   1833 H  HG   . LEU   A 1 126 ? -11.715 22.485  19.327 1.00 58.51  ? 371 LEU   A HG   1 
ATOM   1834 H  HD11 . LEU   A 1 126 ? -9.425  22.777  19.872 1.00 62.29  ? 371 LEU   A HD11 1 
ATOM   1835 H  HD12 . LEU   A 1 126 ? -10.225 24.146  19.778 1.00 62.29  ? 371 LEU   A HD12 1 
ATOM   1836 H  HD13 . LEU   A 1 126 ? -9.886  23.521  21.198 1.00 62.29  ? 371 LEU   A HD13 1 
ATOM   1837 H  HD21 . LEU   A 1 126 ? -10.533 20.700  20.293 1.00 66.52  ? 371 LEU   A HD21 1 
ATOM   1838 H  HD22 . LEU   A 1 126 ? -10.966 21.203  21.736 1.00 66.52  ? 371 LEU   A HD22 1 
ATOM   1839 H  HD23 . LEU   A 1 126 ? -12.060 20.649  20.727 1.00 66.52  ? 371 LEU   A HD23 1 
ATOM   1840 N  N    . ALA   A 1 127 ? -12.898 24.765  18.117 1.00 19.81  ? 372 ALA   A N    1 
ATOM   1841 C  CA   . ALA   A 1 127 ? -13.480 24.651  16.786 1.00 20.04  ? 372 ALA   A CA   1 
ATOM   1842 C  C    . ALA   A 1 127 ? -13.591 23.181  16.376 1.00 17.95  ? 372 ALA   A C    1 
ATOM   1843 O  O    . ALA   A 1 127 ? -12.590 22.440  16.399 1.00 16.96  ? 372 ALA   A O    1 
ATOM   1844 C  CB   . ALA   A 1 127 ? -12.615 25.408  15.784 1.00 22.33  ? 372 ALA   A CB   1 
ATOM   1845 H  H    . ALA   A 1 127 ? -12.058 24.949  18.120 1.00 23.81  ? 372 ALA   A H    1 
ATOM   1846 H  HA   . ALA   A 1 127 ? -14.373 25.030  16.787 1.00 24.07  ? 372 ALA   A HA   1 
ATOM   1847 H  HB1  . ALA   A 1 127 ? -13.007 25.324  14.901 1.00 26.83  ? 372 ALA   A HB1  1 
ATOM   1848 H  HB2  . ALA   A 1 127 ? -12.577 26.342  16.042 1.00 26.83  ? 372 ALA   A HB2  1 
ATOM   1849 H  HB3  . ALA   A 1 127 ? -11.722 25.028  15.786 1.00 26.83  ? 372 ALA   A HB3  1 
ATOM   1850 N  N    . LYS   A 1 128 ? -14.789 22.775  15.956 1.00 18.53  ? 373 LYS   A N    1 
ATOM   1851 C  CA   . LYS   A 1 128 ? -15.031 21.430  15.454 1.00 16.55  ? 373 LYS   A CA   1 
ATOM   1852 C  C    . LYS   A 1 128 ? -15.994 21.512  14.273 1.00 16.11  ? 373 LYS   A C    1 
ATOM   1853 O  O    . LYS   A 1 128 ? -16.618 22.552  14.024 1.00 15.33  ? 373 LYS   A O    1 
ATOM   1854 C  CB   . LYS   A 1 128 ? -15.648 20.481  16.508 1.00 15.93  ? 373 LYS   A CB   1 
ATOM   1855 C  CG   . LYS   A 1 128 ? -14.797 20.271  17.774 1.00 16.43  ? 373 LYS   A CG   1 
ATOM   1856 C  CD   . LYS   A 1 128 ? -15.536 19.354  18.755 1.00 18.45  ? 373 LYS   A CD   1 
ATOM   1857 C  CE   . LYS   A 1 128 ? -14.759 19.190  20.082 1.00 23.01  ? 373 LYS   A CE   1 
ATOM   1858 N  NZ   . LYS   A 1 128 ? -13.529 18.364  19.917 1.00 25.61  ? 373 LYS   A NZ   1 
ATOM   1859 H  H    . LYS   A 1 128 ? -15.490 23.274  15.954 1.00 22.26  ? 373 LYS   A H    1 
ATOM   1860 H  HA   . LYS   A 1 128 ? -14.174 21.070  15.177 1.00 19.89  ? 373 LYS   A HA   1 
ATOM   1861 H  HB2  . LYS   A 1 128 ? -16.501 20.848  16.789 1.00 18.97  ? 373 LYS   A HB2  1 
ATOM   1862 H  HB3  . LYS   A 1 128 ? -15.779 19.612  16.099 1.00 18.97  ? 373 LYS   A HB3  1 
ATOM   1863 H  HG2  . LYS   A 1 128 ? -13.953 19.856  17.536 1.00 19.69  ? 373 LYS   A HG2  1 
ATOM   1864 H  HG3  . LYS   A 1 128 ? -14.637 21.124  18.206 1.00 19.69  ? 373 LYS   A HG3  1 
ATOM   1865 H  HD2  . LYS   A 1 128 ? -16.405 19.734  18.957 1.00 22.17  ? 373 LYS   A HD2  1 
ATOM   1866 H  HD3  . LYS   A 1 128 ? -15.642 18.477  18.356 1.00 22.17  ? 373 LYS   A HD3  1 
ATOM   1867 H  HE2  . LYS   A 1 128 ? -14.493 20.065  20.406 1.00 27.64  ? 373 LYS   A HE2  1 
ATOM   1868 H  HE3  . LYS   A 1 128 ? -15.330 18.755  20.734 1.00 27.64  ? 373 LYS   A HE3  1 
ATOM   1869 H  HZ1  . LYS   A 1 128 ? -12.983 18.746  19.328 1.00 30.77  ? 373 LYS   A HZ1  1 
ATOM   1870 H  HZ2  . LYS   A 1 128 ? -13.107 18.288  20.697 1.00 30.77  ? 373 LYS   A HZ2  1 
ATOM   1871 H  HZ3  . LYS   A 1 128 ? -13.746 17.551  19.626 1.00 30.77  ? 373 LYS   A HZ3  1 
ATOM   1872 N  N    . PHE   A 1 129 ? -16.123 20.392  13.549 1.00 16.49  ? 374 PHE   A N    1 
ATOM   1873 C  CA   . PHE   A 1 129 ? -17.204 20.269  12.568 1.00 15.05  ? 374 PHE   A CA   1 
ATOM   1874 C  C    . PHE   A 1 129 ? -18.544 20.195  13.297 1.00 14.38  ? 374 PHE   A C    1 
ATOM   1875 O  O    . PHE   A 1 129 ? -18.605 20.045  14.517 1.00 14.86  ? 374 PHE   A O    1 
ATOM   1876 C  CB   . PHE   A 1 129 ? -16.977 19.029  11.691 1.00 14.63  ? 374 PHE   A CB   1 
ATOM   1877 C  CG   . PHE   A 1 129 ? -15.692 19.085  10.883 1.00 16.83  ? 374 PHE   A CG   1 
ATOM   1878 C  CD1  . PHE   A 1 129 ? -15.660 19.727  9.651  1.00 18.88  ? 374 PHE   A CD1  1 
ATOM   1879 C  CD2  . PHE   A 1 129 ? -14.534 18.514  11.362 1.00 18.23  ? 374 PHE   A CD2  1 
ATOM   1880 C  CE1  . PHE   A 1 129 ? -14.485 19.794  8.916  1.00 20.70  ? 374 PHE   A CE1  1 
ATOM   1881 C  CE2  . PHE   A 1 129 ? -13.338 18.563  10.628 1.00 20.15  ? 374 PHE   A CE2  1 
ATOM   1882 C  CZ   . PHE   A 1 129 ? -13.315 19.210  9.404  1.00 20.81  ? 374 PHE   A CZ   1 
ATOM   1883 H  H    . PHE   A 1 129 ? -15.608 19.706  13.606 1.00 19.82  ? 374 PHE   A H    1 
ATOM   1884 H  HA   . PHE   A 1 129 ? -17.223 21.041  11.981 1.00 18.09  ? 374 PHE   A HA   1 
ATOM   1885 H  HB2  . PHE   A 1 129 ? -16.935 18.246  12.262 1.00 17.58  ? 374 PHE   A HB2  1 
ATOM   1886 H  HB3  . PHE   A 1 129 ? -17.716 18.946  11.068 1.00 17.58  ? 374 PHE   A HB3  1 
ATOM   1887 H  HD1  . PHE   A 1 129 ? -16.434 20.117  9.315  1.00 22.69  ? 374 PHE   A HD1  1 
ATOM   1888 H  HD2  . PHE   A 1 129 ? -14.544 18.087  12.188 1.00 21.90  ? 374 PHE   A HD2  1 
ATOM   1889 H  HE1  . PHE   A 1 129 ? -14.477 20.230  8.094  1.00 24.87  ? 374 PHE   A HE1  1 
ATOM   1890 H  HE2  . PHE   A 1 129 ? -12.567 18.164  10.961 1.00 24.21  ? 374 PHE   A HE2  1 
ATOM   1891 H  HZ   . PHE   A 1 129 ? -12.527 19.256  8.912  1.00 25.00  ? 374 PHE   A HZ   1 
ATOM   1892 N  N    . TRP   A 1 130 ? -19.630 20.350  12.545 1.00 14.43  ? 375 TRP   A N    1 
ATOM   1893 C  CA   . TRP   A 1 130 ? -20.981 20.288  13.134 1.00 14.95  ? 375 TRP   A CA   1 
ATOM   1894 C  C    . TRP   A 1 130 ? -21.943 19.661  12.130 1.00 14.74  ? 375 TRP   A C    1 
ATOM   1895 O  O    . TRP   A 1 130 ? -21.641 19.563  10.928 1.00 15.25  ? 375 TRP   A O    1 
ATOM   1896 C  CB   . TRP   A 1 130 ? -21.436 21.685  13.581 1.00 13.91  ? 375 TRP   A CB   1 
ATOM   1897 C  CG   . TRP   A 1 130 ? -21.728 22.658  12.475 1.00 14.69  ? 375 TRP   A CG   1 
ATOM   1898 C  CD1  . TRP   A 1 130 ? -22.944 22.871  11.872 1.00 16.18  ? 375 TRP   A CD1  1 
ATOM   1899 C  CD2  . TRP   A 1 130 ? -20.813 23.563  11.845 1.00 17.40  ? 375 TRP   A CD2  1 
ATOM   1900 N  NE1  . TRP   A 1 130 ? -22.833 23.818  10.900 1.00 18.54  ? 375 TRP   A NE1  1 
ATOM   1901 C  CE2  . TRP   A 1 130 ? -21.536 24.262  10.856 1.00 17.87  ? 375 TRP   A CE2  1 
ATOM   1902 C  CE3  . TRP   A 1 130 ? -19.454 23.842  12.009 1.00 18.41  ? 375 TRP   A CE3  1 
ATOM   1903 C  CZ2  . TRP   A 1 130 ? -20.948 25.234  10.042 1.00 18.79  ? 375 TRP   A CZ2  1 
ATOM   1904 C  CZ3  . TRP   A 1 130 ? -18.863 24.797  11.185 1.00 20.47  ? 375 TRP   A CZ3  1 
ATOM   1905 C  CH2  . TRP   A 1 130 ? -19.616 25.475  10.219 1.00 20.66  ? 375 TRP   A CH2  1 
ATOM   1906 H  H    . TRP   A 1 130 ? -19.619 20.491  11.697 1.00 17.34  ? 375 TRP   A H    1 
ATOM   1907 H  HA   . TRP   A 1 130 ? -20.986 19.709  13.913 1.00 17.97  ? 375 TRP   A HA   1 
ATOM   1908 H  HB2  . TRP   A 1 130 ? -22.249 21.589  14.102 1.00 16.73  ? 375 TRP   A HB2  1 
ATOM   1909 H  HB3  . TRP   A 1 130 ? -20.735 22.073  14.129 1.00 16.73  ? 375 TRP   A HB3  1 
ATOM   1910 H  HD1  . TRP   A 1 130 ? -23.732 22.431  12.096 1.00 19.45  ? 375 TRP   A HD1  1 
ATOM   1911 H  HE1  . TRP   A 1 130 ? -23.473 24.093  10.396 1.00 22.27  ? 375 TRP   A HE1  1 
ATOM   1912 H  HE3  . TRP   A 1 130 ? -18.954 23.399  12.656 1.00 22.12  ? 375 TRP   A HE3  1 
ATOM   1913 H  HZ2  . TRP   A 1 130 ? -21.444 25.698  9.406  1.00 22.58  ? 375 TRP   A HZ2  1 
ATOM   1914 H  HZ3  . TRP   A 1 130 ? -17.957 24.986  11.277 1.00 24.60  ? 375 TRP   A HZ3  1 
ATOM   1915 H  HH2  . TRP   A 1 130 ? -19.197 26.108  9.683  1.00 24.82  ? 375 TRP   A HH2  1 
ATOM   1916 N  N    . ILE   A 1 131 ? -23.077 19.187  12.649 1.00 15.28  ? 376 ILE   A N    1 
ATOM   1917 C  CA   . ILE   A 1 131 ? -24.147 18.598  11.842 1.00 16.03  ? 376 ILE   A CA   1 
ATOM   1918 C  C    . ILE   A 1 131 ? -25.452 19.340  12.122 1.00 17.02  ? 376 ILE   A C    1 
ATOM   1919 O  O    . ILE   A 1 131 ? -25.835 19.504  13.288 1.00 14.07  ? 376 ILE   A O    1 
ATOM   1920 C  CB   . ILE   A 1 131 ? -24.325 17.101  12.143 1.00 17.51  ? 376 ILE   A CB   1 
ATOM   1921 C  CG1  . ILE   A 1 131 ? -23.114 16.312  11.601 1.00 17.85  ? 376 ILE   A CG1  1 
ATOM   1922 C  CG2  . ILE   A 1 131 ? -25.608 16.574  11.532 1.00 16.52  ? 376 ILE   A CG2  1 
ATOM   1923 C  CD1  . ILE   A 1 131 ? -23.068 14.879  12.109 1.00 18.47  ? 376 ILE   A CD1  1 
ATOM   1924 H  H    . ILE   A 1 131 ? -23.252 19.198  13.491 1.00 18.36  ? 376 ILE   A H    1 
ATOM   1925 H  HA   . ILE   A 1 131 ? -23.922 18.713  10.906 1.00 19.26  ? 376 ILE   A HA   1 
ATOM   1926 H  HB   . ILE   A 1 131 ? -24.378 16.987  13.105 1.00 21.04  ? 376 ILE   A HB   1 
ATOM   1927 H  HG12 . ILE   A 1 131 ? -23.162 16.286  10.632 1.00 21.45  ? 376 ILE   A HG12 1 
ATOM   1928 H  HG13 . ILE   A 1 131 ? -22.297 16.756  11.879 1.00 21.45  ? 376 ILE   A HG13 1 
ATOM   1929 H  HG21 . ILE   A 1 131 ? -25.586 15.604  11.539 1.00 19.85  ? 376 ILE   A HG21 1 
ATOM   1930 H  HG22 . ILE   A 1 131 ? -26.361 16.892  12.054 1.00 19.85  ? 376 ILE   A HG22 1 
ATOM   1931 H  HG23 . ILE   A 1 131 ? -25.678 16.896  10.619 1.00 19.85  ? 376 ILE   A HG23 1 
ATOM   1932 H  HD11 . ILE   A 1 131 ? -22.183 14.515  11.949 1.00 22.19  ? 376 ILE   A HD11 1 
ATOM   1933 H  HD12 . ILE   A 1 131 ? -23.260 14.875  13.060 1.00 22.19  ? 376 ILE   A HD12 1 
ATOM   1934 H  HD13 . ILE   A 1 131 ? -23.732 14.354  11.635 1.00 22.19  ? 376 ILE   A HD13 1 
ATOM   1935 N  N    . CYS   A 1 132 ? -26.139 19.770  11.059 1.00 19.68  ? 377 CYS   A N    1 
ATOM   1936 C  CA   . CYS   A 1 132 ? -27.451 20.377  11.183 1.00 20.80  ? 377 CYS   A CA   1 
ATOM   1937 C  C    . CYS   A 1 132 ? -28.547 19.400  10.774 1.00 18.46  ? 377 CYS   A C    1 
ATOM   1938 O  O    . CYS   A 1 132 ? -28.344 18.508  9.944  1.00 17.76  ? 377 CYS   A O    1 
ATOM   1939 C  CB   . CYS   A 1 132 ? -27.568 21.645  10.306 1.00 25.09  ? 377 CYS   A CB   1 
ATOM   1940 S  SG   . CYS   A 1 132 ? -26.346 22.950  10.569 1.00 27.09  ? 377 CYS   A SG   1 
ATOM   1941 H  H    . CYS   A 1 132 ? -25.855 19.715  10.249 1.00 23.64  ? 377 CYS   A H    1 
ATOM   1942 H  HA   . CYS   A 1 132 ? -27.584 20.623  12.112 1.00 24.99  ? 377 CYS   A HA   1 
ATOM   1943 H  HB2  . CYS   A 1 132 ? -27.494 21.373  9.378  1.00 30.13  ? 377 CYS   A HB2  1 
ATOM   1944 H  HB3  . CYS   A 1 132 ? -28.440 22.039  10.467 1.00 30.13  ? 377 CYS   A HB3  1 
ATOM   1945 N  N    . LYS   A 1 133 ? -29.749 19.622  11.310 1.00 14.91  ? 378 LYS   A N    1 
ATOM   1946 C  CA   . LYS   A 1 133 ? -30.899 18.773  11.027 1.00 15.42  ? 378 LYS   A CA   1 
ATOM   1947 C  C    . LYS   A 1 133 ? -32.121 19.624  10.775 1.00 15.15  ? 378 LYS   A C    1 
ATOM   1948 O  O    . LYS   A 1 133 ? -32.336 20.626  11.456 1.00 15.43  ? 378 LYS   A O    1 
ATOM   1949 C  CB   . LYS   A 1 133 ? -31.157 17.821  12.200 1.00 17.51  ? 378 LYS   A CB   1 
ATOM   1950 C  CG   . LYS   A 1 133 ? -32.408 16.984  12.083 1.00 18.52  ? 378 LYS   A CG   1 
ATOM   1951 C  CD   . LYS   A 1 133 ? -32.592 16.204  13.386 1.00 19.70  ? 378 LYS   A CD   1 
ATOM   1952 C  CE   . LYS   A 1 133 ? -33.891 15.438  13.408 1.00 21.51  ? 378 LYS   A CE   1 
ATOM   1953 N  NZ   . LYS   A 1 133 ? -34.006 14.679  14.686 1.00 22.92  ? 378 LYS   A NZ   1 
ATOM   1954 H  H    . LYS   A 1 133 ? -29.921 20.270  11.848 1.00 17.92  ? 378 LYS   A H    1 
ATOM   1955 H  HA   . LYS   A 1 133 ? -30.737 18.255  10.223 1.00 18.53  ? 378 LYS   A HA   1 
ATOM   1956 H  HB2  . LYS   A 1 133 ? -30.406 17.211  12.271 1.00 21.05  ? 378 LYS   A HB2  1 
ATOM   1957 H  HB3  . LYS   A 1 133 ? -31.235 18.347  13.011 1.00 21.05  ? 378 LYS   A HB3  1 
ATOM   1958 H  HG2  . LYS   A 1 133 ? -33.179 17.555  11.943 1.00 22.25  ? 378 LYS   A HG2  1 
ATOM   1959 H  HG3  . LYS   A 1 133 ? -32.322 16.357  11.347 1.00 22.25  ? 378 LYS   A HG3  1 
ATOM   1960 H  HD2  . LYS   A 1 133 ? -31.865 15.569  13.484 1.00 23.67  ? 378 LYS   A HD2  1 
ATOM   1961 H  HD3  . LYS   A 1 133 ? -32.594 16.824  14.132 1.00 23.67  ? 378 LYS   A HD3  1 
ATOM   1962 H  HE2  . LYS   A 1 133 ? -34.637 16.055  13.343 1.00 25.84  ? 378 LYS   A HE2  1 
ATOM   1963 H  HE3  . LYS   A 1 133 ? -33.915 14.810  12.669 1.00 25.84  ? 378 LYS   A HE3  1 
ATOM   1964 H  HZ1  . LYS   A 1 133 ? -33.305 14.140  14.784 1.00 27.53  ? 378 LYS   A HZ1  1 
ATOM   1965 H  HZ2  . LYS   A 1 133 ? -34.034 15.244  15.374 1.00 27.53  ? 378 LYS   A HZ2  1 
ATOM   1966 H  HZ3  . LYS   A 1 133 ? -34.749 14.190  14.684 1.00 27.53  ? 378 LYS   A HZ3  1 
ATOM   1967 N  N    . LYS   A 1 134 ? -32.925 19.225  9.783  1.00 15.21  ? 379 LYS   A N    1 
ATOM   1968 C  CA   . LYS   A 1 134 ? -34.219 19.869  9.538  1.00 15.63  ? 379 LYS   A CA   1 
ATOM   1969 C  C    . LYS   A 1 134 ? -35.148 18.856  8.899  1.00 16.77  ? 379 LYS   A C    1 
ATOM   1970 O  O    . LYS   A 1 134 ? -34.716 17.846  8.322  1.00 19.02  ? 379 LYS   A O    1 
ATOM   1971 C  CB   . LYS   A 1 134 ? -34.028 21.115  8.649  1.00 20.95  ? 379 LYS   A CB   1 
ATOM   1972 C  CG   . LYS   A 1 134 ? -33.495 20.745  7.271  1.00 28.90  ? 379 LYS   A CG   1 
ATOM   1973 C  CD   . LYS   A 1 134 ? -32.999 21.937  6.465  1.00 36.98  ? 379 LYS   A CD   1 
ATOM   1974 C  CE   . LYS   A 1 134 ? -34.002 23.012  6.265  1.00 44.38  ? 379 LYS   A CE   1 
ATOM   1975 N  NZ   . LYS   A 1 134 ? -33.390 24.076  5.384  1.00 49.07  ? 379 LYS   A NZ   1 
ATOM   1976 H  H    . LYS   A 1 134 ? -32.743 18.584  9.240  1.00 18.11  ? 379 LYS   A H    1 
ATOM   1977 H  HA   . LYS   A 1 134 ? -34.634 20.150  10.369 1.00 18.62  ? 379 LYS   A HA   1 
ATOM   1978 H  HB2  . LYS   A 1 134 ? -34.881 21.562  8.537  1.00 25.17  ? 379 LYS   A HB2  1 
ATOM   1979 H  HB3  . LYS   A 1 134 ? -33.392 21.714  9.071  1.00 25.17  ? 379 LYS   A HB3  1 
ATOM   1980 H  HG2  . LYS   A 1 134 ? -32.752 20.130  7.377  1.00 34.70  ? 379 LYS   A HG2  1 
ATOM   1981 H  HG3  . LYS   A 1 134 ? -34.206 20.321  6.764  1.00 34.70  ? 379 LYS   A HG3  1 
ATOM   1982 H  HD2  . LYS   A 1 134 ? -32.241 22.328  6.926  1.00 44.41  ? 379 LYS   A HD2  1 
ATOM   1983 H  HD3  . LYS   A 1 134 ? -32.729 21.625  5.587  1.00 44.41  ? 379 LYS   A HD3  1 
ATOM   1984 H  HE2  . LYS   A 1 134 ? -34.792 22.655  5.831  1.00 53.29  ? 379 LYS   A HE2  1 
ATOM   1985 H  HE3  . LYS   A 1 134 ? -34.242 23.406  7.119  1.00 53.29  ? 379 LYS   A HE3  1 
ATOM   1986 H  HZ1  . LYS   A 1 134 ? -33.184 23.731  4.590  1.00 58.91  ? 379 LYS   A HZ1  1 
ATOM   1987 H  HZ2  . LYS   A 1 134 ? -33.967 24.744  5.268  1.00 58.91  ? 379 LYS   A HZ2  1 
ATOM   1988 H  HZ3  . LYS   A 1 134 ? -32.650 24.396  5.761  1.00 58.91  ? 379 LYS   A HZ3  1 
ATOM   1989 N  N    . SER   A 1 135 ? -36.435 19.120  8.999  1.00 19.15  ? 380 SER   A N    1 
ATOM   1990 C  CA   . SER   A 1 135 ? -37.413 18.156  8.502  1.00 22.83  ? 380 SER   A CA   1 
ATOM   1991 C  C    . SER   A 1 135 ? -37.393 18.157  6.978  1.00 21.92  ? 380 SER   A C    1 
ATOM   1992 O  O    . SER   A 1 135 ? -37.046 19.148  6.338  1.00 22.37  ? 380 SER   A O    1 
ATOM   1993 C  CB   . SER   A 1 135 ? -38.806 18.460  9.057  1.00 27.04  ? 380 SER   A CB   1 
ATOM   1994 O  OG   . SER   A 1 135 ? -39.329 19.663  8.561  1.00 30.41  ? 380 SER   A OG   1 
ATOM   1995 H  H    . SER   A 1 135 ? -36.769 19.833  9.344  1.00 23.01  ? 380 SER   A H    1 
ATOM   1996 H  HA   . SER   A 1 135 ? -37.195 17.260  8.801  1.00 27.43  ? 380 SER   A HA   1 
ATOM   1997 H  HB2  . SER   A 1 135 ? -39.403 17.737  8.809  1.00 32.48  ? 380 SER   A HB2  1 
ATOM   1998 H  HB3  . SER   A 1 135 ? -38.747 18.524  10.023 1.00 32.48  ? 380 SER   A HB3  1 
ATOM   1999 H  HG   . SER   A 1 135 ? -40.048 19.848  8.954  1.00 36.52  ? 380 SER   A HG   1 
ATOM   2000 N  N    . ALA   A 1 136 ? -37.733 17.008  6.396  1.00 19.64  ? 381 ALA   A N    1 
ATOM   2001 C  CA   . ALA   A 1 136 ? -37.769 16.837  4.966  1.00 19.27  ? 381 ALA   A CA   1 
ATOM   2002 C  C    . ALA   A 1 136 ? -39.112 17.298  4.410  1.00 23.31  ? 381 ALA   A C    1 
ATOM   2003 O  O    . ALA   A 1 136 ? -40.134 17.333  5.104  1.00 23.39  ? 381 ALA   A O    1 
ATOM   2004 C  CB   . ALA   A 1 136 ? -37.539 15.364  4.606  1.00 16.11  ? 381 ALA   A CB   1 
ATOM   2005 H  H    . ALA   A 1 136 ? -37.951 16.297  6.828  1.00 23.60  ? 381 ALA   A H    1 
ATOM   2006 H  HA   . ALA   A 1 136 ? -37.069 17.369  4.556  1.00 23.15  ? 381 ALA   A HA   1 
ATOM   2007 H  HB1  . ALA   A 1 136 ? -37.538 15.271  3.641  1.00 19.37  ? 381 ALA   A HB1  1 
ATOM   2008 H  HB2  . ALA   A 1 136 ? -36.684 15.081  4.967  1.00 19.37  ? 381 ALA   A HB2  1 
ATOM   2009 H  HB3  . ALA   A 1 136 ? -38.253 14.830  4.989  1.00 19.37  ? 381 ALA   A HB3  1 
ATOM   2010 N  N    . ALA   A 1 137 ? -39.095 17.684  3.142  1.00 27.39  ? 382 ALA   A N    1 
ATOM   2011 C  CA   . ALA   A 1 137 ? -40.318 18.014  2.441  1.00 29.93  ? 382 ALA   A CA   1 
ATOM   2012 C  C    . ALA   A 1 137 ? -41.011 16.756  1.942  1.00 34.64  ? 382 ALA   A C    1 
ATOM   2013 O  O    . ALA   A 1 137 ? -40.380 15.750  1.612  1.00 31.05  ? 382 ALA   A O    1 
ATOM   2014 C  CB   . ALA   A 1 137 ? -40.017 18.941  1.263  1.00 28.21  ? 382 ALA   A CB   1 
ATOM   2015 H  H    . ALA   A 1 137 ? -38.384 17.763  2.666  1.00 32.90  ? 382 ALA   A H    1 
ATOM   2016 H  HA   . ALA   A 1 137 ? -40.925 18.470  3.046  1.00 35.94  ? 382 ALA   A HA   1 
ATOM   2017 H  HB1  . ALA   A 1 137 ? -40.847 19.157  0.810  1.00 33.88  ? 382 ALA   A HB1  1 
ATOM   2018 H  HB2  . ALA   A 1 137 ? -39.602 19.752  1.597  1.00 33.88  ? 382 ALA   A HB2  1 
ATOM   2019 H  HB3  . ALA   A 1 137 ? -39.414 18.490  0.652  1.00 33.88  ? 382 ALA   A HB3  1 
ATOM   2020 N  N    . SER   A 1 138 ? -42.334 16.819  1.873  1.00 45.48  ? 383 SER   A N    1 
ATOM   2021 C  CA   . SER   A 1 138 ? -43.134 15.717  1.348  1.00 54.43  ? 383 SER   A CA   1 
ATOM   2022 C  C    . SER   A 1 138 ? -43.409 15.970  -0.130 1.00 61.53  ? 383 SER   A C    1 
ATOM   2023 O  O    . SER   A 1 138 ? -43.754 17.091  -0.517 1.00 62.90  ? 383 SER   A O    1 
ATOM   2024 C  CB   . SER   A 1 138 ? -44.439 15.570  2.131  1.00 57.39  ? 383 SER   A CB   1 
ATOM   2025 O  OG   . SER   A 1 138 ? -45.267 14.582  1.543  1.00 59.29  ? 383 SER   A OG   1 
ATOM   2026 H  H    . SER   A 1 138 ? -42.797 17.498  2.127  1.00 54.61  ? 383 SER   A H    1 
ATOM   2027 H  HA   . SER   A 1 138 ? -42.648 14.881  1.430  1.00 65.35  ? 383 SER   A HA   1 
ATOM   2028 H  HB2  . SER   A 1 138 ? -44.233 15.310  3.042  1.00 68.90  ? 383 SER   A HB2  1 
ATOM   2029 H  HB3  . SER   A 1 138 ? -44.907 16.419  2.126  1.00 68.90  ? 383 SER   A HB3  1 
ATOM   2030 H  HG   . SER   A 1 138 ? -45.923 14.423  2.042  1.00 71.18  ? 383 SER   A HG   1 
ATOM   2031 N  N    . CYS   A 1 139 ? -43.235 14.941  -0.949 1.00 67.54  ? 384 CYS   A N    1 
ATOM   2032 C  CA   . CYS   A 1 139 ? -43.506 15.060  -2.382 1.00 73.50  ? 384 CYS   A CA   1 
ATOM   2033 C  C    . CYS   A 1 139 ? -44.610 14.084  -2.804 1.00 74.57  ? 384 CYS   A C    1 
ATOM   2034 O  O    . CYS   A 1 139 ? -44.345 12.923  -3.109 1.00 73.57  ? 384 CYS   A O    1 
ATOM   2035 C  CB   . CYS   A 1 139 ? -42.232 14.798  -3.199 1.00 74.68  ? 384 CYS   A CB   1 
ATOM   2036 S  SG   . CYS   A 1 139 ? -40.845 15.937  -2.881 1.00 69.45  ? 384 CYS   A SG   1 
ATOM   2037 H  H    . CYS   A 1 139 ? -42.962 14.163  -0.704 1.00 81.08  ? 384 CYS   A H    1 
ATOM   2038 H  HA   . CYS   A 1 139 ? -43.802 15.963  -2.576 1.00 88.22  ? 384 CYS   A HA   1 
ATOM   2039 H  HB2  . CYS   A 1 139 ? -41.921 13.902  -2.998 1.00 89.65  ? 384 CYS   A HB2  1 
ATOM   2040 H  HB3  . CYS   A 1 139 ? -42.454 14.869  -4.141 1.00 89.65  ? 384 CYS   A HB3  1 
ATOM   2041 N  N    . CYS   B 1 8   ? -20.959 -27.362 -7.444 1.00 32.20  ? 253 CYS   B N    1 
ATOM   2042 C  CA   . CYS   B 1 8   ? -20.844 -27.315 -5.982 1.00 35.53  ? 253 CYS   B CA   1 
ATOM   2043 C  C    . CYS   B 1 8   ? -20.489 -25.916 -5.501 1.00 30.04  ? 253 CYS   B C    1 
ATOM   2044 O  O    . CYS   B 1 8   ? -19.543 -25.300 -6.011 1.00 24.71  ? 253 CYS   B O    1 
ATOM   2045 C  CB   . CYS   B 1 8   ? -19.775 -28.292 -5.480 1.00 42.81  ? 253 CYS   B CB   1 
ATOM   2046 S  SG   . CYS   B 1 8   ? -19.740 -28.522 -3.682 1.00 49.09  ? 253 CYS   B SG   1 
ATOM   2047 H  HA   . CYS   B 1 8   ? -21.701 -27.571 -5.608 1.00 42.66  ? 253 CYS   B HA   1 
ATOM   2048 H  HB2  . CYS   B 1 8   ? -19.939 -29.160 -5.882 1.00 51.40  ? 253 CYS   B HB2  1 
ATOM   2049 H  HB3  . CYS   B 1 8   ? -18.904 -27.961 -5.749 1.00 51.40  ? 253 CYS   B HB3  1 
ATOM   2050 N  N    . HIS   B 1 9   ? -21.247 -25.418 -4.527 1.00 29.45  ? 254 HIS   B N    1 
ATOM   2051 C  CA   . HIS   B 1 9   ? -20.899 -24.170 -3.856 1.00 25.86  ? 254 HIS   B CA   1 
ATOM   2052 C  C    . HIS   B 1 9   ? -21.155 -24.342 -2.365 1.00 21.29  ? 254 HIS   B C    1 
ATOM   2053 O  O    . HIS   B 1 9   ? -22.007 -25.140 -1.960 1.00 20.78  ? 254 HIS   B O    1 
ATOM   2054 C  CB   . HIS   B 1 9   ? -21.676 -22.956 -4.411 1.00 27.44  ? 254 HIS   B CB   1 
ATOM   2055 C  CG   . HIS   B 1 9   ? -23.133 -23.183 -4.598 1.00 29.40  ? 254 HIS   B CG   1 
ATOM   2056 N  ND1  . HIS   B 1 9   ? -24.083 -22.572 -3.814 1.00 29.13  ? 254 HIS   B ND1  1 
ATOM   2057 C  CD2  . HIS   B 1 9   ? -23.815 -23.919 -5.507 1.00 29.82  ? 254 HIS   B CD2  1 
ATOM   2058 C  CE1  . HIS   B 1 9   ? -25.289 -22.942 -4.214 1.00 30.22  ? 254 HIS   B CE1  1 
ATOM   2059 N  NE2  . HIS   B 1 9   ? -25.155 -23.762 -5.241 1.00 30.05  ? 254 HIS   B NE2  1 
ATOM   2060 H  H    . HIS   B 1 9   ? -21.968 -25.788 -4.239 1.00 35.37  ? 254 HIS   B H    1 
ATOM   2061 H  HA   . HIS   B 1 9   ? -19.958 -23.974 -3.987 1.00 31.06  ? 254 HIS   B HA   1 
ATOM   2062 H  HB2  . HIS   B 1 9   ? -21.572 -22.215 -3.794 1.00 32.96  ? 254 HIS   B HB2  1 
ATOM   2063 H  HB3  . HIS   B 1 9   ? -21.304 -22.722 -5.276 1.00 32.96  ? 254 HIS   B HB3  1 
ATOM   2064 H  HD1  . HIS   B 1 9   ? -23.918 -22.033 -3.165 1.00 34.98  ? 254 HIS   B HD1  1 
ATOM   2065 H  HD2  . HIS   B 1 9   ? -23.445 -24.436 -6.186 1.00 35.81  ? 254 HIS   B HD2  1 
ATOM   2066 H  HE1  . HIS   B 1 9   ? -26.094 -22.671 -3.835 1.00 36.29  ? 254 HIS   B HE1  1 
ATOM   2067 N  N    . PRO   B 1 10  ? -20.440 -23.612 -1.525 1.00 19.11  ? 255 PRO   B N    1 
ATOM   2068 C  CA   . PRO   B 1 10  ? -20.483 -23.938 -0.085 1.00 20.11  ? 255 PRO   B CA   1 
ATOM   2069 C  C    . PRO   B 1 10  ? -21.764 -23.529 0.622  1.00 19.20  ? 255 PRO   B C    1 
ATOM   2070 O  O    . PRO   B 1 10  ? -22.171 -24.237 1.571  1.00 20.38  ? 255 PRO   B O    1 
ATOM   2071 C  CB   . PRO   B 1 10  ? -19.265 -23.194 0.481  1.00 19.55  ? 255 PRO   B CB   1 
ATOM   2072 C  CG   . PRO   B 1 10  ? -19.031 -22.067 -0.498 1.00 19.59  ? 255 PRO   B CG   1 
ATOM   2073 C  CD   . PRO   B 1 10  ? -19.429 -22.582 -1.838 1.00 18.75  ? 255 PRO   B CD   1 
ATOM   2074 H  HA   . PRO   B 1 10  ? -20.365 -24.895 0.026  1.00 24.16  ? 255 PRO   B HA   1 
ATOM   2075 H  HB2  . PRO   B 1 10  ? -19.466 -22.853 1.367  1.00 23.48  ? 255 PRO   B HB2  1 
ATOM   2076 H  HB3  . PRO   B 1 10  ? -18.500 -23.789 0.520  1.00 23.48  ? 255 PRO   B HB3  1 
ATOM   2077 H  HG2  . PRO   B 1 10  ? -19.575 -21.303 -0.251 1.00 23.54  ? 255 PRO   B HG2  1 
ATOM   2078 H  HG3  . PRO   B 1 10  ? -18.093 -21.821 -0.492 1.00 23.54  ? 255 PRO   B HG3  1 
ATOM   2079 H  HD2  . PRO   B 1 10  ? -19.814 -21.875 -2.378 1.00 22.53  ? 255 PRO   B HD2  1 
ATOM   2080 H  HD3  . PRO   B 1 10  ? -18.669 -22.974 -2.296 1.00 22.53  ? 255 PRO   B HD3  1 
ATOM   2081 N  N    . CYS   B 1 11  ? -22.447 -22.471 0.166  1.00 15.17  ? 256 CYS   B N    1 
ATOM   2082 C  CA   . CYS   B 1 11  ? -23.616 -21.954 0.884  1.00 15.65  ? 256 CYS   B CA   1 
ATOM   2083 C  C    . CYS   B 1 11  ? -24.819 -21.814 -0.042 1.00 17.31  ? 256 CYS   B C    1 
ATOM   2084 O  O    . CYS   B 1 11  ? -24.666 -21.671 -1.256 1.00 19.76  ? 256 CYS   B O    1 
ATOM   2085 C  CB   . CYS   B 1 11  ? -23.305 -20.584 1.514  1.00 18.91  ? 256 CYS   B CB   1 
ATOM   2086 S  SG   . CYS   B 1 11  ? -22.035 -20.632 2.796  1.00 22.77  ? 256 CYS   B SG   1 
ATOM   2087 H  H    . CYS   B 1 11  ? -22.250 -22.041 -0.553 1.00 18.23  ? 256 CYS   B H    1 
ATOM   2088 H  HA   . CYS   B 1 11  ? -23.857 -22.582 1.582  1.00 18.81  ? 256 CYS   B HA   1 
ATOM   2089 H  HB2  . CYS   B 1 11  ? -22.997 -19.985 0.817  1.00 22.71  ? 256 CYS   B HB2  1 
ATOM   2090 H  HB3  . CYS   B 1 11  ? -24.116 -20.237 1.916  1.00 22.71  ? 256 CYS   B HB3  1 
ATOM   2091 N  N    . PRO   B 1 12  ? -26.030 -21.874 0.491  1.00 18.46  ? 257 PRO   B N    1 
ATOM   2092 C  CA   . PRO   B 1 12  ? -27.212 -21.603 -0.358 1.00 20.39  ? 257 PRO   B CA   1 
ATOM   2093 C  C    . PRO   B 1 12  ? -27.202 -20.161 -0.869 1.00 16.60  ? 257 PRO   B C    1 
ATOM   2094 O  O    . PRO   B 1 12  ? -26.570 -19.280 -0.303 1.00 13.40  ? 257 PRO   B O    1 
ATOM   2095 C  CB   . PRO   B 1 12  ? -28.412 -21.850 0.571  1.00 24.03  ? 257 PRO   B CB   1 
ATOM   2096 C  CG   . PRO   B 1 12  ? -27.847 -22.579 1.801  1.00 22.53  ? 257 PRO   B CG   1 
ATOM   2097 C  CD   . PRO   B 1 12  ? -26.377 -22.199 1.888  1.00 18.59  ? 257 PRO   B CD   1 
ATOM   2098 H  HA   . PRO   B 1 12  ? -27.247 -22.226 -1.101 1.00 24.50  ? 257 PRO   B HA   1 
ATOM   2099 H  HB2  . PRO   B 1 12  ? -28.808 -21.002 0.825  1.00 28.86  ? 257 PRO   B HB2  1 
ATOM   2100 H  HB3  . PRO   B 1 12  ? -29.069 -22.400 0.116  1.00 28.86  ? 257 PRO   B HB3  1 
ATOM   2101 H  HG2  . PRO   B 1 12  ? -28.322 -22.291 2.596  1.00 27.07  ? 257 PRO   B HG2  1 
ATOM   2102 H  HG3  . PRO   B 1 12  ? -27.946 -23.537 1.684  1.00 27.07  ? 257 PRO   B HG3  1 
ATOM   2103 H  HD2  . PRO   B 1 12  ? -26.253 -21.428 2.463  1.00 22.34  ? 257 PRO   B HD2  1 
ATOM   2104 H  HD3  . PRO   B 1 12  ? -25.847 -22.944 2.212  1.00 22.34  ? 257 PRO   B HD3  1 
ATOM   2105 N  N    . TRP   B 1 13  ? -27.878 -19.942 -1.997 1.00 15.90  ? 258 TRP   B N    1 
ATOM   2106 C  CA   . TRP   B 1 13  ? -28.010 -18.595 -2.518 1.00 16.34  ? 258 TRP   B CA   1 
ATOM   2107 C  C    . TRP   B 1 13  ? -28.531 -17.661 -1.433 1.00 17.79  ? 258 TRP   B C    1 
ATOM   2108 O  O    . TRP   B 1 13  ? -29.456 -18.007 -0.696 1.00 16.77  ? 258 TRP   B O    1 
ATOM   2109 C  CB   . TRP   B 1 13  ? -28.962 -18.562 -3.703 1.00 16.45  ? 258 TRP   B CB   1 
ATOM   2110 C  CG   . TRP   B 1 13  ? -28.338 -18.984 -4.982 1.00 17.14  ? 258 TRP   B CG   1 
ATOM   2111 C  CD1  . TRP   B 1 13  ? -28.072 -20.247 -5.375 1.00 17.22  ? 258 TRP   B CD1  1 
ATOM   2112 C  CD2  . TRP   B 1 13  ? -27.926 -18.135 -6.063 1.00 17.08  ? 258 TRP   B CD2  1 
ATOM   2113 N  NE1  . TRP   B 1 13  ? -27.506 -20.251 -6.634 1.00 15.42  ? 258 TRP   B NE1  1 
ATOM   2114 C  CE2  . TRP   B 1 13  ? -27.410 -18.960 -7.072 1.00 15.42  ? 258 TRP   B CE2  1 
ATOM   2115 C  CE3  . TRP   B 1 13  ? -27.940 -16.763 -6.270 1.00 18.31  ? 258 TRP   B CE3  1 
ATOM   2116 C  CZ2  . TRP   B 1 13  ? -26.913 -18.452 -8.265 1.00 15.64  ? 258 TRP   B CZ2  1 
ATOM   2117 C  CZ3  . TRP   B 1 13  ? -27.447 -16.267 -7.446 1.00 17.23  ? 258 TRP   B CZ3  1 
ATOM   2118 C  CH2  . TRP   B 1 13  ? -26.934 -17.113 -8.422 1.00 15.95  ? 258 TRP   B CH2  1 
ATOM   2119 H  H    . TRP   B 1 13  ? -28.262 -20.550 -2.469 1.00 19.11  ? 258 TRP   B H    1 
ATOM   2120 H  HA   . TRP   B 1 13  ? -27.141 -18.290 -2.820 1.00 19.63  ? 258 TRP   B HA   1 
ATOM   2121 H  HB2  . TRP   B 1 13  ? -29.704 -19.161 -3.524 1.00 19.77  ? 258 TRP   B HB2  1 
ATOM   2122 H  HB3  . TRP   B 1 13  ? -29.287 -17.655 -3.817 1.00 19.77  ? 258 TRP   B HB3  1 
ATOM   2123 H  HD1  . TRP   B 1 13  ? -28.246 -21.008 -4.869 1.00 20.70  ? 258 TRP   B HD1  1 
ATOM   2124 H  HE1  . TRP   B 1 13  ? -27.255 -20.948 -7.070 1.00 18.54  ? 258 TRP   B HE1  1 
ATOM   2125 H  HE3  . TRP   B 1 13  ? -28.278 -16.190 -5.621 1.00 21.99  ? 258 TRP   B HE3  1 
ATOM   2126 H  HZ2  . TRP   B 1 13  ? -26.579 -19.012 -8.928 1.00 18.80  ? 258 TRP   B HZ2  1 
ATOM   2127 H  HZ3  . TRP   B 1 13  ? -27.456 -15.349 -7.595 1.00 20.70  ? 258 TRP   B HZ3  1 
ATOM   2128 H  HH2  . TRP   B 1 13  ? -26.595 -16.744 -9.206 1.00 19.17  ? 258 TRP   B HH2  1 
ATOM   2129 N  N    . GLU   B 1 14  ? -27.946 -16.464 -1.378 1.00 22.41  ? 259 GLU   B N    1 
ATOM   2130 C  CA   . GLU   B 1 14  ? -28.276 -15.372 -0.486 1.00 26.03  ? 259 GLU   B CA   1 
ATOM   2131 C  C    . GLU   B 1 14  ? -27.586 -15.536 0.869  1.00 21.67  ? 259 GLU   B C    1 
ATOM   2132 O  O    . GLU   B 1 14  ? -27.690 -14.621 1.695  1.00 24.51  ? 259 GLU   B O    1 
ATOM   2133 C  CB   . GLU   B 1 14  ? -29.787 -15.206 -0.252 1.00 36.16  ? 259 GLU   B CB   1 
ATOM   2134 C  CG   . GLU   B 1 14  ? -30.613 -15.093 -1.524 1.00 47.16  ? 259 GLU   B CG   1 
ATOM   2135 C  CD   . GLU   B 1 14  ? -32.117 -15.201 -1.265 1.00 54.52  ? 259 GLU   B CD   1 
ATOM   2136 O  OE1  . GLU   B 1 14  ? -32.573 -14.767 -0.188 1.00 55.95  ? 259 GLU   B OE1  1 
ATOM   2137 O  OE2  . GLU   B 1 14  ? -32.839 -15.723 -2.140 1.00 57.26  ? 259 GLU   B OE2  1 
ATOM   2138 H  H    . GLU   B 1 14  ? -27.300 -16.249 -1.909 1.00 26.92  ? 259 GLU   B H    1 
ATOM   2139 H  HA   . GLU   B 1 14  ? -27.964 -14.547 -0.889 1.00 31.26  ? 259 GLU   B HA   1 
ATOM   2140 H  HB2  . GLU   B 1 14  ? -30.110 -15.978 0.239  1.00 43.42  ? 259 GLU   B HB2  1 
ATOM   2141 H  HB3  . GLU   B 1 14  ? -29.934 -14.399 0.266  1.00 43.42  ? 259 GLU   B HB3  1 
ATOM   2142 H  HG2  . GLU   B 1 14  ? -30.441 -14.232 -1.937 1.00 56.62  ? 259 GLU   B HG2  1 
ATOM   2143 H  HG3  . GLU   B 1 14  ? -30.361 -15.808 -2.130 1.00 56.62  ? 259 GLU   B HG3  1 
ATOM   2144 N  N    . TRP   B 1 15  ? -26.877 -16.639 1.130  1.00 14.84  ? 260 TRP   B N    1 
ATOM   2145 C  CA   . TRP   B 1 15  ? -26.156 -16.825 2.380  1.00 14.80  ? 260 TRP   B CA   1 
ATOM   2146 C  C    . TRP   B 1 15  ? -24.687 -16.432 2.202  1.00 18.24  ? 260 TRP   B C    1 
ATOM   2147 O  O    . TRP   B 1 15  ? -24.106 -16.577 1.112  1.00 22.60  ? 260 TRP   B O    1 
ATOM   2148 C  CB   . TRP   B 1 15  ? -26.239 -18.284 2.870  1.00 13.50  ? 260 TRP   B CB   1 
ATOM   2149 C  CG   . TRP   B 1 15  ? -27.612 -18.683 3.279  1.00 13.66  ? 260 TRP   B CG   1 
ATOM   2150 C  CD1  . TRP   B 1 15  ? -28.733 -18.702 2.495  1.00 14.48  ? 260 TRP   B CD1  1 
ATOM   2151 C  CD2  . TRP   B 1 15  ? -28.019 -19.152 4.568  1.00 13.32  ? 260 TRP   B CD2  1 
ATOM   2152 N  NE1  . TRP   B 1 15  ? -29.823 -19.115 3.224  1.00 15.05  ? 260 TRP   B NE1  1 
ATOM   2153 C  CE2  . TRP   B 1 15  ? -29.410 -19.400 4.500  1.00 15.62  ? 260 TRP   B CE2  1 
ATOM   2154 C  CE3  . TRP   B 1 15  ? -27.358 -19.374 5.758  1.00 12.63  ? 260 TRP   B CE3  1 
ATOM   2155 C  CZ2  . TRP   B 1 15  ? -30.136 -19.866 5.588  1.00 16.97  ? 260 TRP   B CZ2  1 
ATOM   2156 C  CZ3  . TRP   B 1 15  ? -28.082 -19.827 6.855  1.00 12.85  ? 260 TRP   B CZ3  1 
ATOM   2157 C  CH2  . TRP   B 1 15  ? -29.456 -20.071 6.758  1.00 15.12  ? 260 TRP   B CH2  1 
ATOM   2158 H  H    . TRP   B 1 15  ? -26.803 -17.300 0.585  1.00 17.84  ? 260 TRP   B H    1 
ATOM   2159 H  HA   . TRP   B 1 15  ? -26.553 -16.258 3.060  1.00 17.79  ? 260 TRP   B HA   1 
ATOM   2160 H  HB2  . TRP   B 1 15  ? -25.957 -18.873 2.153  1.00 16.23  ? 260 TRP   B HB2  1 
ATOM   2161 H  HB3  . TRP   B 1 15  ? -25.655 -18.392 3.638  1.00 16.23  ? 260 TRP   B HB3  1 
ATOM   2162 H  HD1  . TRP   B 1 15  ? -28.755 -18.469 1.595  1.00 17.40  ? 260 TRP   B HD1  1 
ATOM   2163 H  HE1  . TRP   B 1 15  ? -30.628 -19.183 2.929  1.00 18.09  ? 260 TRP   B HE1  1 
ATOM   2164 H  HE3  . TRP   B 1 15  ? -26.443 -19.223 5.825  1.00 15.01  ? 260 TRP   B HE3  1 
ATOM   2165 H  HZ2  . TRP   B 1 15  ? -31.049 -20.032 5.524  1.00 20.39  ? 260 TRP   B HZ2  1 
ATOM   2166 H  HZ3  . TRP   B 1 15  ? -27.647 -19.969 7.664  1.00 15.44  ? 260 TRP   B HZ3  1 
ATOM   2167 H  HH2  . TRP   B 1 15  ? -29.917 -20.380 7.504  1.00 18.17  ? 260 TRP   B HH2  1 
ATOM   2168 N  N    . THR   B 1 16  ? -24.088 -15.964 3.282  1.00 17.41  ? 261 THR   B N    1 
ATOM   2169 C  CA   . THR   B 1 16  ? -22.730 -15.429 3.254  1.00 16.31  ? 261 THR   B CA   1 
ATOM   2170 C  C    . THR   B 1 16  ? -21.766 -16.415 3.888  1.00 15.62  ? 261 THR   B C    1 
ATOM   2171 O  O    . THR   B 1 16  ? -21.956 -16.835 5.039  1.00 15.57  ? 261 THR   B O    1 
ATOM   2172 C  CB   . THR   B 1 16  ? -22.678 -14.080 3.985  1.00 19.03  ? 261 THR   B CB   1 
ATOM   2173 O  OG1  . THR   B 1 16  ? -23.585 -13.174 3.350  1.00 21.23  ? 261 THR   B OG1  1 
ATOM   2174 C  CG2  . THR   B 1 16  ? -21.272 -13.523 3.971  1.00 20.16  ? 261 THR   B CG2  1 
ATOM   2175 H  H    . THR   B 1 16  ? -24.453 -15.944 4.060  1.00 20.92  ? 261 THR   B H    1 
ATOM   2176 H  HA   . THR   B 1 16  ? -22.455 -15.309 2.332  1.00 19.61  ? 261 THR   B HA   1 
ATOM   2177 H  HB   . THR   B 1 16  ? -22.936 -14.188 4.914  1.00 22.86  ? 261 THR   B HB   1 
ATOM   2178 H  HG1  . THR   B 1 16  ? -23.768 -12.540 3.870  1.00 25.50  ? 261 THR   B HG1  1 
ATOM   2179 H  HG21 . THR   B 1 16  ? -20.757 -13.904 4.700  1.00 24.22  ? 261 THR   B HG21 1 
ATOM   2180 H  HG22 . THR   B 1 16  ? -20.837 -13.739 3.132  1.00 24.22  ? 261 THR   B HG22 1 
ATOM   2181 H  HG23 . THR   B 1 16  ? -21.296 -12.559 4.074  1.00 24.22  ? 261 THR   B HG23 1 
ATOM   2182 N  N    . PHE   B 1 17  ? -20.723 -16.790 3.133  1.00 14.89  ? 262 PHE   B N    1 
ATOM   2183 C  CA   . PHE   B 1 17  ? -19.717 -17.728 3.619  1.00 15.09  ? 262 PHE   B CA   1 
ATOM   2184 C  C    . PHE   B 1 17  ? -18.681 -17.000 4.479  1.00 14.76  ? 262 PHE   B C    1 
ATOM   2185 O  O    . PHE   B 1 17  ? -18.130 -15.951 4.064  1.00 15.41  ? 262 PHE   B O    1 
ATOM   2186 C  CB   . PHE   B 1 17  ? -18.989 -18.375 2.438  1.00 17.12  ? 262 PHE   B CB   1 
ATOM   2187 C  CG   . PHE   B 1 17  ? -17.877 -19.311 2.855  1.00 22.83  ? 262 PHE   B CG   1 
ATOM   2188 C  CD1  . PHE   B 1 17  ? -16.582 -18.825 3.074  1.00 29.22  ? 262 PHE   B CD1  1 
ATOM   2189 C  CD2  . PHE   B 1 17  ? -18.106 -20.657 3.019  1.00 22.78  ? 262 PHE   B CD2  1 
ATOM   2190 C  CE1  . PHE   B 1 17  ? -15.569 -19.673 3.461  1.00 31.29  ? 262 PHE   B CE1  1 
ATOM   2191 C  CE2  . PHE   B 1 17  ? -17.082 -21.522 3.388  1.00 26.14  ? 262 PHE   B CE2  1 
ATOM   2192 C  CZ   . PHE   B 1 17  ? -15.817 -21.035 3.611  1.00 30.17  ? 262 PHE   B CZ   1 
ATOM   2193 H  H    . PHE   B 1 17  ? -20.579 -16.510 2.333  1.00 17.90  ? 262 PHE   B H    1 
ATOM   2194 H  HA   . PHE   B 1 17  ? -20.157 -18.410 4.151  1.00 18.14  ? 262 PHE   B HA   1 
ATOM   2195 H  HB2  . PHE   B 1 17  ? -19.628 -18.886 1.918  1.00 20.57  ? 262 PHE   B HB2  1 
ATOM   2196 H  HB3  . PHE   B 1 17  ? -18.599 -17.676 1.890  1.00 20.57  ? 262 PHE   B HB3  1 
ATOM   2197 H  HD1  . PHE   B 1 17  ? -16.405 -17.920 2.956  1.00 35.09  ? 262 PHE   B HD1  1 
ATOM   2198 H  HD2  . PHE   B 1 17  ? -18.961 -20.995 2.880  1.00 27.37  ? 262 PHE   B HD2  1 
ATOM   2199 H  HE1  . PHE   B 1 17  ? -14.717 -19.336 3.623  1.00 37.58  ? 262 PHE   B HE1  1 
ATOM   2200 H  HE2  . PHE   B 1 17  ? -17.253 -22.431 3.484  1.00 31.40  ? 262 PHE   B HE2  1 
ATOM   2201 H  HZ   . PHE   B 1 17  ? -15.131 -21.611 3.860  1.00 36.23  ? 262 PHE   B HZ   1 
ATOM   2202 N  N    . PHE   B 1 18  ? -18.408 -17.551 5.657  1.00 15.93  ? 263 PHE   B N    1 
ATOM   2203 C  CA   . PHE   B 1 18  ? -17.372 -17.015 6.531  1.00 16.04  ? 263 PHE   B CA   1 
ATOM   2204 C  C    . PHE   B 1 18  ? -16.796 -18.154 7.355  1.00 16.33  ? 263 PHE   B C    1 
ATOM   2205 O  O    . PHE   B 1 18  ? -17.502 -18.745 8.173  1.00 14.93  ? 263 PHE   B O    1 
ATOM   2206 C  CB   . PHE   B 1 18  ? -17.928 -15.913 7.460  1.00 15.23  ? 263 PHE   B CB   1 
ATOM   2207 C  CG   . PHE   B 1 18  ? -16.949 -15.434 8.500  1.00 16.39  ? 263 PHE   B CG   1 
ATOM   2208 C  CD1  . PHE   B 1 18  ? -15.977 -14.524 8.168  1.00 18.92  ? 263 PHE   B CD1  1 
ATOM   2209 C  CD2  . PHE   B 1 18  ? -17.025 -15.882 9.791  1.00 15.75  ? 263 PHE   B CD2  1 
ATOM   2210 C  CE1  . PHE   B 1 18  ? -15.062 -14.066 9.121  1.00 20.07  ? 263 PHE   B CE1  1 
ATOM   2211 C  CE2  . PHE   B 1 18  ? -16.095 -15.422 10.765 1.00 15.65  ? 263 PHE   B CE2  1 
ATOM   2212 C  CZ   . PHE   B 1 18  ? -15.140 -14.519 10.420 1.00 16.71  ? 263 PHE   B CZ   1 
ATOM   2213 H  H    . PHE   B 1 18  ? -18.812 -18.240 5.975  1.00 19.15  ? 263 PHE   B H    1 
ATOM   2214 H  HA   . PHE   B 1 18  ? -16.667 -16.632 5.986  1.00 19.27  ? 263 PHE   B HA   1 
ATOM   2215 H  HB2  . PHE   B 1 18  ? -18.181 -15.149 6.919  1.00 18.31  ? 263 PHE   B HB2  1 
ATOM   2216 H  HB3  . PHE   B 1 18  ? -18.705 -16.262 7.925  1.00 18.31  ? 263 PHE   B HB3  1 
ATOM   2217 H  HD1  . PHE   B 1 18  ? -15.926 -14.207 7.295  1.00 22.73  ? 263 PHE   B HD1  1 
ATOM   2218 H  HD2  . PHE   B 1 18  ? -17.686 -16.490 10.033 1.00 18.93  ? 263 PHE   B HD2  1 
ATOM   2219 H  HE1  . PHE   B 1 18  ? -14.402 -13.458 8.878  1.00 24.11  ? 263 PHE   B HE1  1 
ATOM   2220 H  HE2  . PHE   B 1 18  ? -16.141 -15.740 11.638 1.00 18.81  ? 263 PHE   B HE2  1 
ATOM   2221 H  HZ   . PHE   B 1 18  ? -14.541 -14.207 11.060 1.00 20.07  ? 263 PHE   B HZ   1 
ATOM   2222 N  N    . GLN   B 1 19  ? -15.515 -18.448 7.138  1.00 17.86  ? 264 GLN   B N    1 
ATOM   2223 C  CA   . GLN   B 1 19  ? -14.762 -19.414 7.933  1.00 20.36  ? 264 GLN   B CA   1 
ATOM   2224 C  C    . GLN   B 1 19  ? -15.539 -20.716 8.114  1.00 18.67  ? 264 GLN   B C    1 
ATOM   2225 O  O    . GLN   B 1 19  ? -15.752 -21.212 9.234  1.00 19.87  ? 264 GLN   B O    1 
ATOM   2226 C  CB   . GLN   B 1 19  ? -14.372 -18.805 9.286  1.00 24.84  ? 264 GLN   B CB   1 
ATOM   2227 C  CG   . GLN   B 1 19  ? -13.424 -17.621 9.153  1.00 31.34  ? 264 GLN   B CG   1 
ATOM   2228 C  CD   . GLN   B 1 19  ? -12.822 -17.183 10.485 1.00 34.68  ? 264 GLN   B CD   1 
ATOM   2229 O  OE1  . GLN   B 1 19  ? -13.253 -17.626 11.560 1.00 33.85  ? 264 GLN   B OE1  1 
ATOM   2230 N  NE2  . GLN   B 1 19  ? -11.812 -16.321 10.417 1.00 36.63  ? 264 GLN   B NE2  1 
ATOM   2231 H  H    . GLN   B 1 19  ? -15.046 -18.087 6.514  1.00 21.46  ? 264 GLN   B H    1 
ATOM   2232 H  HA   . GLN   B 1 19  ? -13.949 -19.638 7.453  1.00 24.47  ? 264 GLN   B HA   1 
ATOM   2233 H  HB2  . GLN   B 1 19  ? -15.174 -18.498 9.736  1.00 29.83  ? 264 GLN   B HB2  1 
ATOM   2234 H  HB3  . GLN   B 1 19  ? -13.930 -19.483 9.821  1.00 29.83  ? 264 GLN   B HB3  1 
ATOM   2235 H  HG2  . GLN   B 1 19  ? -12.695 -17.866 8.562  1.00 37.64  ? 264 GLN   B HG2  1 
ATOM   2236 H  HG3  . GLN   B 1 19  ? -13.911 -16.868 8.783  1.00 37.64  ? 264 GLN   B HG3  1 
ATOM   2237 H  HE21 . GLN   B 1 19  ? -11.535 -16.043 9.652  1.00 43.98  ? 264 GLN   B HE21 1 
ATOM   2238 H  HE22 . GLN   B 1 19  ? -11.436 -16.041 11.138 1.00 43.98  ? 264 GLN   B HE22 1 
ATOM   2239 N  N    . GLY   B 1 20  ? -15.974 -21.286 6.993  1.00 17.56  ? 265 GLY   B N    1 
ATOM   2240 C  CA   . GLY   B 1 20  ? -16.536 -22.627 7.028  1.00 19.51  ? 265 GLY   B CA   1 
ATOM   2241 C  C    . GLY   B 1 20  ? -17.988 -22.724 7.421  1.00 20.35  ? 265 GLY   B C    1 
ATOM   2242 O  O    . GLY   B 1 20  ? -18.506 -23.845 7.553  1.00 20.16  ? 265 GLY   B O    1 
ATOM   2243 H  H    . GLY   B 1 20  ? -15.952 -20.921 6.214  1.00 21.10  ? 265 GLY   B H    1 
ATOM   2244 H  HA2  . GLY   B 1 20  ? -16.447 -23.019 6.145  1.00 23.45  ? 265 GLY   B HA2  1 
ATOM   2245 H  HA3  . GLY   B 1 20  ? -16.027 -23.156 7.662  1.00 23.45  ? 265 GLY   B HA3  1 
ATOM   2246 N  N    . ASN   B 1 21  ? -18.664 -21.590 7.633  1.00 19.22  ? 266 ASN   B N    1 
ATOM   2247 C  CA   . ASN   B 1 21  ? -20.078 -21.580 7.962  1.00 17.14  ? 266 ASN   B CA   1 
ATOM   2248 C  C    . ASN   B 1 21  ? -20.797 -20.619 7.024  1.00 15.25  ? 266 ASN   B C    1 
ATOM   2249 O  O    . ASN   B 1 21  ? -20.167 -19.819 6.318  1.00 14.95  ? 266 ASN   B O    1 
ATOM   2250 C  CB   . ASN   B 1 21  ? -20.318 -21.190 9.427  1.00 16.75  ? 266 ASN   B CB   1 
ATOM   2251 C  CG   . ASN   B 1 21  ? -19.866 -22.262 10.381 1.00 20.65  ? 266 ASN   B CG   1 
ATOM   2252 O  OD1  . ASN   B 1 21  ? -20.485 -23.311 10.466 1.00 22.34  ? 266 ASN   B OD1  1 
ATOM   2253 N  ND2  . ASN   B 1 21  ? -18.769 -22.014 11.090 1.00 22.92  ? 266 ASN   B ND2  1 
ATOM   2254 H  H    . ASN   B 1 21  ? -18.311 -20.807 7.589  1.00 23.09  ? 266 ASN   B H    1 
ATOM   2255 H  HA   . ASN   B 1 21  ? -20.445 -22.468 7.832  1.00 20.59  ? 266 ASN   B HA   1 
ATOM   2256 H  HB2  . ASN   B 1 21  ? -19.824 -20.380 9.626  1.00 20.13  ? 266 ASN   B HB2  1 
ATOM   2257 H  HB3  . ASN   B 1 21  ? -21.267 -21.042 9.565  1.00 20.13  ? 266 ASN   B HB3  1 
ATOM   2258 H  HD21 . ASN   B 1 21  ? -18.476 -22.600 11.647 1.00 27.53  ? 266 ASN   B HD21 1 
ATOM   2259 H  HD22 . ASN   B 1 21  ? -18.354 -21.267 10.992 1.00 27.53  ? 266 ASN   B HD22 1 
ATOM   2260 N  N    . CYS   B 1 22  ? -22.135 -20.718 7.027  1.00 13.33  ? 267 CYS   B N    1 
ATOM   2261 C  CA   . CYS   B 1 22  ? -23.003 -19.915 6.200  1.00 14.39  ? 267 CYS   B CA   1 
ATOM   2262 C  C    . CYS   B 1 22  ? -23.910 -19.069 7.084  1.00 12.22  ? 267 CYS   B C    1 
ATOM   2263 O  O    . CYS   B 1 22  ? -24.449 -19.566 8.074  1.00 12.47  ? 267 CYS   B O    1 
ATOM   2264 C  CB   . CYS   B 1 22  ? -23.850 -20.799 5.288  1.00 18.50  ? 267 CYS   B CB   1 
ATOM   2265 S  SG   . CYS   B 1 22  ? -22.877 -21.932 4.281  1.00 20.09  ? 267 CYS   B SG   1 
ATOM   2266 H  H    . CYS   B 1 22  ? -22.565 -21.271 7.526  1.00 16.02  ? 267 CYS   B H    1 
ATOM   2267 H  HA   . CYS   B 1 22  ? -22.473 -19.319 5.647  1.00 17.30  ? 267 CYS   B HA   1 
ATOM   2268 H  HB2  . CYS   B 1 22  ? -24.451 -21.328 5.836  1.00 22.22  ? 267 CYS   B HB2  1 
ATOM   2269 H  HB3  . CYS   B 1 22  ? -24.361 -20.231 4.689  1.00 22.22  ? 267 CYS   B HB3  1 
ATOM   2270 N  N    . TYR   B 1 23  ? -24.090 -17.804 6.710  1.00 11.39  ? 268 TYR   B N    1 
ATOM   2271 C  CA   . TYR   B 1 23  ? -24.890 -16.860 7.511  1.00 11.49  ? 268 TYR   B CA   1 
ATOM   2272 C  C    . TYR   B 1 23  ? -25.955 -16.174 6.675  1.00 13.80  ? 268 TYR   B C    1 
ATOM   2273 O  O    . TYR   B 1 23  ? -25.766 -15.903 5.482  1.00 15.57  ? 268 TYR   B O    1 
ATOM   2274 C  CB   . TYR   B 1 23  ? -24.022 -15.796 8.143  1.00 11.87  ? 268 TYR   B CB   1 
ATOM   2275 C  CG   . TYR   B 1 23  ? -22.959 -16.393 9.053  1.00 13.74  ? 268 TYR   B CG   1 
ATOM   2276 C  CD1  . TYR   B 1 23  ? -21.789 -16.910 8.525  1.00 14.67  ? 268 TYR   B CD1  1 
ATOM   2277 C  CD2  . TYR   B 1 23  ? -23.133 -16.400 10.430 1.00 13.43  ? 268 TYR   B CD2  1 
ATOM   2278 C  CE1  . TYR   B 1 23  ? -20.792 -17.429 9.366  1.00 14.16  ? 268 TYR   B CE1  1 
ATOM   2279 C  CE2  . TYR   B 1 23  ? -22.153 -16.945 11.283 1.00 12.06  ? 268 TYR   B CE2  1 
ATOM   2280 C  CZ   . TYR   B 1 23  ? -20.996 -17.436 10.732 1.00 13.65  ? 268 TYR   B CZ   1 
ATOM   2281 O  OH   . TYR   B 1 23  ? -20.036 -17.968 11.540 1.00 16.07  ? 268 TYR   B OH   1 
ATOM   2282 H  H    . TYR   B 1 23  ? -23.760 -17.463 5.993  1.00 13.52  ? 268 TYR   B H    1 
ATOM   2283 H  HA   . TYR   B 1 23  ? -25.340 -17.372 8.201  1.00 13.65  ? 268 TYR   B HA   1 
ATOM   2284 H  HB2  . TYR   B 1 23  ? -23.576 -15.293 7.444  1.00 14.27  ? 268 TYR   B HB2  1 
ATOM   2285 H  HB3  . TYR   B 1 23  ? -24.579 -15.205 8.674  1.00 14.27  ? 268 TYR   B HB3  1 
ATOM   2286 H  HD1  . TYR   B 1 23  ? -21.661 -16.912 7.604  1.00 17.64  ? 268 TYR   B HD1  1 
ATOM   2287 H  HD2  . TYR   B 1 23  ? -23.908 -16.040 10.795 1.00 16.14  ? 268 TYR   B HD2  1 
ATOM   2288 H  HE1  . TYR   B 1 23  ? -20.003 -17.765 9.007  1.00 17.02  ? 268 TYR   B HE1  1 
ATOM   2289 H  HE2  . TYR   B 1 23  ? -22.287 -16.971 12.202 1.00 14.50  ? 268 TYR   B HE2  1 
ATOM   2290 H  HH   . TYR   B 1 23  ? -20.310 -17.993 12.334 1.00 19.32  ? 268 TYR   B HH   1 
ATOM   2291 N  N    . PHE   B 1 24  ? -27.081 -15.889 7.315  1.00 13.58  ? 269 PHE   B N    1 
ATOM   2292 C  CA   . PHE   B 1 24  ? -28.205 -15.220 6.652  1.00 15.60  ? 269 PHE   B CA   1 
ATOM   2293 C  C    . PHE   B 1 24  ? -28.800 -14.203 7.601  1.00 15.64  ? 269 PHE   B C    1 
ATOM   2294 O  O    . PHE   B 1 24  ? -29.147 -14.549 8.721  1.00 15.91  ? 269 PHE   B O    1 
ATOM   2295 C  CB   . PHE   B 1 24  ? -29.245 -16.247 6.215  1.00 19.23  ? 269 PHE   B CB   1 
ATOM   2296 C  CG   . PHE   B 1 24  ? -30.496 -15.639 5.629  1.00 24.61  ? 269 PHE   B CG   1 
ATOM   2297 C  CD1  . PHE   B 1 24  ? -30.537 -15.269 4.301  1.00 29.51  ? 269 PHE   B CD1  1 
ATOM   2298 C  CD2  . PHE   B 1 24  ? -31.621 -15.488 6.408  1.00 27.39  ? 269 PHE   B CD2  1 
ATOM   2299 C  CE1  . PHE   B 1 24  ? -31.692 -14.712 3.762  1.00 33.05  ? 269 PHE   B CE1  1 
ATOM   2300 C  CE2  . PHE   B 1 24  ? -32.779 -14.937 5.871  1.00 32.68  ? 269 PHE   B CE2  1 
ATOM   2301 C  CZ   . PHE   B 1 24  ? -32.806 -14.552 4.550  1.00 33.96  ? 269 PHE   B CZ   1 
ATOM   2302 H  H    . PHE   B 1 24  ? -27.223 -16.073 8.143  1.00 16.32  ? 269 PHE   B H    1 
ATOM   2303 H  HA   . PHE   B 1 24  ? -27.903 -14.739 5.866  1.00 18.74  ? 269 PHE   B HA   1 
ATOM   2304 H  HB2  . PHE   B 1 24  ? -28.851 -16.821 5.540  1.00 23.10  ? 269 PHE   B HB2  1 
ATOM   2305 H  HB3  . PHE   B 1 24  ? -29.506 -16.774 6.987  1.00 23.10  ? 269 PHE   B HB3  1 
ATOM   2306 H  HD1  . PHE   B 1 24  ? -29.789 -15.393 3.763  1.00 35.44  ? 269 PHE   B HD1  1 
ATOM   2307 H  HD2  . PHE   B 1 24  ? -31.607 -15.757 7.299  1.00 32.90  ? 269 PHE   B HD2  1 
ATOM   2308 H  HE1  . PHE   B 1 24  ? -31.710 -14.449 2.870  1.00 39.69  ? 269 PHE   B HE1  1 
ATOM   2309 H  HE2  . PHE   B 1 24  ? -33.534 -14.828 6.403  1.00 39.25  ? 269 PHE   B HE2  1 
ATOM   2310 H  HZ   . PHE   B 1 24  ? -33.580 -14.183 4.191  1.00 40.78  ? 269 PHE   B HZ   1 
ATOM   2311 N  N    . MET   B 1 25  ? -28.895 -12.957 7.157  1.00 16.58  ? 270 MET   B N    1 
ATOM   2312 C  CA   . MET   B 1 25  ? -29.580 -11.899 7.888  1.00 18.01  ? 270 MET   B CA   1 
ATOM   2313 C  C    . MET   B 1 25  ? -30.962 -11.693 7.280  1.00 16.48  ? 270 MET   B C    1 
ATOM   2314 O  O    . MET   B 1 25  ? -31.089 -11.531 6.061  1.00 18.16  ? 270 MET   B O    1 
ATOM   2315 C  CB   . MET   B 1 25  ? -28.794 -10.582 7.836  1.00 22.88  ? 270 MET   B CB   1 
ATOM   2316 C  CG   . MET   B 1 25  ? -29.450 -9.436  8.651  1.00 29.38  ? 270 MET   B CG   1 
ATOM   2317 S  SD   . MET   B 1 25  ? -28.496 -7.885  8.672  1.00 34.07  ? 270 MET   B SD   1 
ATOM   2318 C  CE   . MET   B 1 25  ? -28.394 -7.581  10.415 1.00 34.66  ? 270 MET   B CE   1 
ATOM   2319 H  H    . MET   B 1 25  ? -28.560 -12.692 6.410  1.00 19.92  ? 270 MET   B H    1 
ATOM   2320 H  HA   . MET   B 1 25  ? -29.661 -12.159 8.819  1.00 21.64  ? 270 MET   B HA   1 
ATOM   2321 H  HB2  . MET   B 1 25  ? -27.907 -10.734 8.197  1.00 27.49  ? 270 MET   B HB2  1 
ATOM   2322 H  HB3  . MET   B 1 25  ? -28.732 -10.292 6.913  1.00 27.49  ? 270 MET   B HB3  1 
ATOM   2323 H  HG2  . MET   B 1 25  ? -30.318 -9.240  8.266  1.00 35.29  ? 270 MET   B HG2  1 
ATOM   2324 H  HG3  . MET   B 1 25  ? -29.552 -9.729  9.570  1.00 35.29  ? 270 MET   B HG3  1 
ATOM   2325 H  HE1  . MET   B 1 25  ? -27.930 -6.743  10.562 1.00 41.63  ? 270 MET   B HE1  1 
ATOM   2326 H  HE2  . MET   B 1 25  ? -29.292 -7.531  10.779 1.00 41.63  ? 270 MET   B HE2  1 
ATOM   2327 H  HE3  . MET   B 1 25  ? -27.907 -8.308  10.834 1.00 41.63  ? 270 MET   B HE3  1 
ATOM   2328 N  N    . SER   B 1 26  ? -31.989 -11.656 8.128  1.00 16.56  ? 271 SER   B N    1 
ATOM   2329 C  CA   . SER   B 1 26  ? -33.362 -11.530 7.656  1.00 19.49  ? 271 SER   B CA   1 
ATOM   2330 C  C    . SER   B 1 26  ? -33.629 -10.147 7.043  1.00 22.95  ? 271 SER   B C    1 
ATOM   2331 O  O    . SER   B 1 26  ? -32.947 -9.173  7.333  1.00 22.20  ? 271 SER   B O    1 
ATOM   2332 C  CB   . SER   B 1 26  ? -34.350 -11.758 8.805  1.00 17.77  ? 271 SER   B CB   1 
ATOM   2333 O  OG   . SER   B 1 26  ? -34.216 -10.734 9.796  1.00 15.76  ? 271 SER   B OG   1 
ATOM   2334 H  H    . SER   B 1 26  ? -31.917 -11.702 8.984  1.00 19.91  ? 271 SER   B H    1 
ATOM   2335 H  HA   . SER   B 1 26  ? -33.506 -12.201 6.970  1.00 23.41  ? 271 SER   B HA   1 
ATOM   2336 H  HB2  . SER   B 1 26  ? -35.254 -11.742 8.453  1.00 21.35  ? 271 SER   B HB2  1 
ATOM   2337 H  HB3  . SER   B 1 26  ? -34.168 -12.619 9.213  1.00 21.35  ? 271 SER   B HB3  1 
ATOM   2338 H  HG   . SER   B 1 26  ? -34.351 -9.980  9.451  1.00 18.94  ? 271 SER   B HG   1 
ATOM   2339 N  N    . ASN   B 1 27  ? -34.672 -10.084 6.224  1.00 26.45  ? 272 ASN   B N    1 
ATOM   2340 C  CA   . ASN   B 1 27  ? -35.193 -8.821  5.720  1.00 35.60  ? 272 ASN   B CA   1 
ATOM   2341 C  C    . ASN   B 1 27  ? -36.555 -8.494  6.318  1.00 33.83  ? 272 ASN   B C    1 
ATOM   2342 O  O    . ASN   B 1 27  ? -37.195 -7.537  5.885  1.00 34.52  ? 272 ASN   B O    1 
ATOM   2343 C  CB   . ASN   B 1 27  ? -35.295 -8.868  4.187  1.00 47.91  ? 272 ASN   B CB   1 
ATOM   2344 C  CG   . ASN   B 1 27  ? -33.932 -8.929  3.521  1.00 56.75  ? 272 ASN   B CG   1 
ATOM   2345 O  OD1  . ASN   B 1 27  ? -33.628 -9.873  2.780  1.00 63.26  ? 272 ASN   B OD1  1 
ATOM   2346 N  ND2  . ASN   B 1 27  ? -33.095 -7.925  3.785  1.00 56.45  ? 272 ASN   B ND2  1 
ATOM   2347 H  H    . ASN   B 1 27  ? -35.102 -10.773 5.941  1.00 31.77  ? 272 ASN   B H    1 
ATOM   2348 H  HA   . ASN   B 1 27  ? -34.577 -8.109  5.956  1.00 42.75  ? 272 ASN   B HA   1 
ATOM   2349 H  HB2  . ASN   B 1 27  ? -35.794 -9.658  3.926  1.00 57.52  ? 272 ASN   B HB2  1 
ATOM   2350 H  HB3  . ASN   B 1 27  ? -35.749 -8.070  3.874  1.00 57.52  ? 272 ASN   B HB3  1 
ATOM   2351 H  HD21 . ASN   B 1 27  ? -33.340 -7.288  4.309  1.00 67.77  ? 272 ASN   B HD21 1 
ATOM   2352 H  HD22 . ASN   B 1 27  ? -32.311 -7.914  3.431  1.00 67.77  ? 272 ASN   B HD22 1 
ATOM   2353 N  N    . SER   B 1 28  ? -36.990 -9.252  7.324  1.00 31.97  ? 273 SER   B N    1 
ATOM   2354 C  CA   . SER   B 1 28  ? -38.207 -8.985  8.079  1.00 28.82  ? 273 SER   B CA   1 
ATOM   2355 C  C    . SER   B 1 28  ? -37.859 -9.081  9.566  1.00 23.84  ? 273 SER   B C    1 
ATOM   2356 O  O    . SER   B 1 28  ? -36.751 -9.489  9.935  1.00 21.29  ? 273 SER   B O    1 
ATOM   2357 C  CB   . SER   B 1 28  ? -39.309 -9.992  7.721  1.00 29.53  ? 273 SER   B CB   1 
ATOM   2358 O  OG   . SER   B 1 28  ? -38.969 -11.282 8.157  1.00 34.17  ? 273 SER   B OG   1 
ATOM   2359 H  H    . SER   B 1 28  ? -36.577 -9.955  7.596  1.00 38.39  ? 273 SER   B H    1 
ATOM   2360 H  HA   . SER   B 1 28  ? -38.542 -8.096  7.886  1.00 34.62  ? 273 SER   B HA   1 
ATOM   2361 H  HB2  . SER   B 1 28  ? -40.135 -9.722  8.151  1.00 35.46  ? 273 SER   B HB2  1 
ATOM   2362 H  HB3  . SER   B 1 28  ? -39.424 -10.005 6.758  1.00 35.46  ? 273 SER   B HB3  1 
ATOM   2363 H  HG   . SER   B 1 28  ? -39.322 -11.856 7.656  1.00 41.04  ? 273 SER   B HG   1 
ATOM   2364 N  N    . GLN   B 1 29  ? -38.811 -8.698  10.429 1.00 19.20  ? 274 GLN   B N    1 
ATOM   2365 C  CA   . GLN   B 1 29  ? -38.576 -8.692  11.862 1.00 19.21  ? 274 GLN   B CA   1 
ATOM   2366 C  C    . GLN   B 1 29  ? -39.545 -9.619  12.565 1.00 19.20  ? 274 GLN   B C    1 
ATOM   2367 O  O    . GLN   B 1 29  ? -40.729 -9.664  12.225 1.00 20.10  ? 274 GLN   B O    1 
ATOM   2368 C  CB   . GLN   B 1 29  ? -38.702 -7.280  12.432 1.00 20.84  ? 274 GLN   B CB   1 
ATOM   2369 C  CG   . GLN   B 1 29  ? -37.789 -6.280  11.758 1.00 24.54  ? 274 GLN   B CG   1 
ATOM   2370 C  CD   . GLN   B 1 29  ? -38.065 -4.865  12.235 1.00 29.83  ? 274 GLN   B CD   1 
ATOM   2371 O  OE1  . GLN   B 1 29  ? -37.429 -4.373  13.161 1.00 31.73  ? 274 GLN   B OE1  1 
ATOM   2372 N  NE2  . GLN   B 1 29  ? -39.036 -4.233  11.627 1.00 31.96  ? 274 GLN   B NE2  1 
ATOM   2373 H  H    . GLN   B 1 29  ? -39.598 -8.440  10.197 1.00 23.07  ? 274 GLN   B H    1 
ATOM   2374 H  HA   . GLN   B 1 29  ? -37.679 -9.018  12.035 1.00 23.09  ? 274 GLN   B HA   1 
ATOM   2375 H  HB2  . GLN   B 1 29  ? -39.616 -6.975  12.316 1.00 25.04  ? 274 GLN   B HB2  1 
ATOM   2376 H  HB3  . GLN   B 1 29  ? -38.477 -7.301  13.375 1.00 25.04  ? 274 GLN   B HB3  1 
ATOM   2377 H  HG2  . GLN   B 1 29  ? -36.866 -6.497  11.965 1.00 29.48  ? 274 GLN   B HG2  1 
ATOM   2378 H  HG3  . GLN   B 1 29  ? -37.930 -6.312  10.799 1.00 29.48  ? 274 GLN   B HG3  1 
ATOM   2379 H  HE21 . GLN   B 1 29  ? -39.474 -4.621  10.998 1.00 38.38  ? 274 GLN   B HE21 1 
ATOM   2380 H  HE22 . GLN   B 1 29  ? -39.235 -3.429  11.858 1.00 38.38  ? 274 GLN   B HE22 1 
ATOM   2381 N  N    . ARG   B 1 30  ? -39.036 -10.328 13.569 1.00 19.28  ? 275 ARG   B N    1 
ATOM   2382 C  CA   . ARG   B 1 30  ? -39.831 -11.234 14.381 1.00 21.34  ? 275 ARG   B CA   1 
ATOM   2383 C  C    . ARG   B 1 30  ? -39.346 -11.158 15.823 1.00 20.88  ? 275 ARG   B C    1 
ATOM   2384 O  O    . ARG   B 1 30  ? -38.227 -10.706 16.101 1.00 19.88  ? 275 ARG   B O    1 
ATOM   2385 C  CB   . ARG   B 1 30  ? -39.714 -12.701 13.920 1.00 25.58  ? 275 ARG   B CB   1 
ATOM   2386 C  CG   . ARG   B 1 30  ? -40.251 -13.021 12.542 1.00 28.43  ? 275 ARG   B CG   1 
ATOM   2387 C  CD   . ARG   B 1 30  ? -40.095 -14.524 12.316 1.00 31.79  ? 275 ARG   B CD   1 
ATOM   2388 N  NE   . ARG   B 1 30  ? -40.557 -14.962 11.014 1.00 38.35  ? 275 ARG   B NE   1 
ATOM   2389 C  CZ   . ARG   B 1 30  ? -40.934 -16.217 10.741 1.00 40.34  ? 275 ARG   B CZ   1 
ATOM   2390 N  NH1  . ARG   B 1 30  ? -40.934 -17.164 11.708 1.00 37.29  ? 275 ARG   B NH1  1 
ATOM   2391 N  NH2  . ARG   B 1 30  ? -41.339 -16.515 9.522  1.00 42.16  ? 275 ARG   B NH2  1 
ATOM   2392 H  H    . ARG   B 1 30  ? -38.209 -10.297 13.802 1.00 23.16  ? 275 ARG   B H    1 
ATOM   2393 H  HA   . ARG   B 1 30  ? -40.759 -10.956 14.321 1.00 25.64  ? 275 ARG   B HA   1 
ATOM   2394 H  HB2  . ARG   B 1 30  ? -38.775 -12.944 13.923 1.00 30.72  ? 275 ARG   B HB2  1 
ATOM   2395 H  HB3  . ARG   B 1 30  ? -40.202 -13.255 14.550 1.00 30.72  ? 275 ARG   B HB3  1 
ATOM   2396 H  HG2  . ARG   B 1 30  ? -41.190 -12.785 12.485 1.00 34.14  ? 275 ARG   B HG2  1 
ATOM   2397 H  HG3  . ARG   B 1 30  ? -39.747 -12.541 11.866 1.00 34.14  ? 275 ARG   B HG3  1 
ATOM   2398 H  HD2  . ARG   B 1 30  ? -39.156 -14.756 12.391 1.00 38.18  ? 275 ARG   B HD2  1 
ATOM   2399 H  HD3  . ARG   B 1 30  ? -40.609 -14.997 12.988 1.00 38.18  ? 275 ARG   B HD3  1 
ATOM   2400 H  HE   . ARG   B 1 30  ? -40.592 -14.382 10.380 1.00 46.05  ? 275 ARG   B HE   1 
ATOM   2401 H  HH11 . ARG   B 1 30  ? -40.689 -16.963 12.507 1.00 44.78  ? 275 ARG   B HH11 1 
ATOM   2402 H  HH12 . ARG   B 1 30  ? -41.178 -17.968 11.523 1.00 44.78  ? 275 ARG   B HH12 1 
ATOM   2403 H  HH21 . ARG   B 1 30  ? -41.358 -15.907 8.915  1.00 50.62  ? 275 ARG   B HH21 1 
ATOM   2404 H  HH22 . ARG   B 1 30  ? -41.584 -17.318 9.335  1.00 50.62  ? 275 ARG   B HH22 1 
ATOM   2405 N  N    . ASN   B 1 31  ? -40.166 -11.665 16.747 1.00 22.44  ? 276 ASN   B N    1 
ATOM   2406 C  CA   . ASN   B 1 31  ? -39.708 -11.750 18.127 1.00 21.28  ? 276 ASN   B CA   1 
ATOM   2407 C  C    . ASN   B 1 31  ? -38.697 -12.887 18.257 1.00 21.07  ? 276 ASN   B C    1 
ATOM   2408 O  O    . ASN   B 1 31  ? -38.445 -13.653 17.324 1.00 20.73  ? 276 ASN   B O    1 
ATOM   2409 C  CB   . ASN   B 1 31  ? -40.897 -11.896 19.097 1.00 22.53  ? 276 ASN   B CB   1 
ATOM   2410 C  CG   . ASN   B 1 31  ? -41.603 -13.247 18.989 1.00 25.55  ? 276 ASN   B CG   1 
ATOM   2411 O  OD1  . ASN   B 1 31  ? -41.018 -14.275 18.665 1.00 25.37  ? 276 ASN   B OD1  1 
ATOM   2412 N  ND2  . ASN   B 1 31  ? -42.900 -13.234 19.287 1.00 28.54  ? 276 ASN   B ND2  1 
ATOM   2413 H  H    . ASN   B 1 31  ? -40.962 -11.956 16.603 1.00 26.96  ? 276 ASN   B H    1 
ATOM   2414 H  HA   . ASN   B 1 31  ? -39.258 -10.930 18.386 1.00 25.56  ? 276 ASN   B HA   1 
ATOM   2415 H  HB2  . ASN   B 1 31  ? -40.573 -11.802 20.006 1.00 27.07  ? 276 ASN   B HB2  1 
ATOM   2416 H  HB3  . ASN   B 1 31  ? -41.547 -11.204 18.902 1.00 27.07  ? 276 ASN   B HB3  1 
ATOM   2417 H  HD21 . ASN   B 1 31  ? -43.358 -13.961 19.246 1.00 34.27  ? 276 ASN   B HD21 1 
ATOM   2418 H  HD22 . ASN   B 1 31  ? -43.280 -12.499 19.519 1.00 34.27  ? 276 ASN   B HD22 1 
ATOM   2419 N  N    . TRP   B 1 32  ? -38.095 -12.989 19.438 1.00 19.58  ? 277 TRP   B N    1 
ATOM   2420 C  CA   . TRP   B 1 32  ? -36.932 -13.855 19.601 1.00 19.77  ? 277 TRP   B CA   1 
ATOM   2421 C  C    . TRP   B 1 32  ? -37.308 -15.322 19.397 1.00 20.37  ? 277 TRP   B C    1 
ATOM   2422 O  O    . TRP   B 1 32  ? -36.643 -16.045 18.665 1.00 16.87  ? 277 TRP   B O    1 
ATOM   2423 C  CB   . TRP   B 1 32  ? -36.313 -13.644 20.974 1.00 16.50  ? 277 TRP   B CB   1 
ATOM   2424 C  CG   . TRP   B 1 32  ? -34.959 -14.330 21.184 1.00 14.86  ? 277 TRP   B CG   1 
ATOM   2425 C  CD1  . TRP   B 1 32  ? -33.749 -13.912 20.722 1.00 13.71  ? 277 TRP   B CD1  1 
ATOM   2426 C  CD2  . TRP   B 1 32  ? -34.718 -15.525 21.921 1.00 16.37  ? 277 TRP   B CD2  1 
ATOM   2427 N  NE1  . TRP   B 1 32  ? -32.756 -14.767 21.136 1.00 14.53  ? 277 TRP   B NE1  1 
ATOM   2428 C  CE2  . TRP   B 1 32  ? -33.333 -15.778 21.863 1.00 15.87  ? 277 TRP   B CE2  1 
ATOM   2429 C  CE3  . TRP   B 1 32  ? -35.545 -16.425 22.600 1.00 19.46  ? 277 TRP   B CE3  1 
ATOM   2430 C  CZ2  . TRP   B 1 32  ? -32.753 -16.889 22.465 1.00 17.40  ? 277 TRP   B CZ2  1 
ATOM   2431 C  CZ3  . TRP   B 1 32  ? -34.963 -17.515 23.226 1.00 19.69  ? 277 TRP   B CZ3  1 
ATOM   2432 C  CH2  . TRP   B 1 32  ? -33.583 -17.738 23.143 1.00 18.82  ? 277 TRP   B CH2  1 
ATOM   2433 H  H    . TRP   B 1 32  ? -38.334 -12.574 20.153 1.00 23.52  ? 277 TRP   B H    1 
ATOM   2434 H  HA   . TRP   B 1 32  ? -36.269 -13.619 18.933 1.00 23.75  ? 277 TRP   B HA   1 
ATOM   2435 H  HB2  . TRP   B 1 32  ? -36.181 -12.693 21.109 1.00 19.83  ? 277 TRP   B HB2  1 
ATOM   2436 H  HB3  . TRP   B 1 32  ? -36.922 -13.993 21.643 1.00 19.83  ? 277 TRP   B HB3  1 
ATOM   2437 H  HD1  . TRP   B 1 32  ? -33.613 -13.155 20.200 1.00 16.48  ? 277 TRP   B HD1  1 
ATOM   2438 H  HE1  . TRP   B 1 32  ? -31.917 -14.682 20.968 1.00 17.46  ? 277 TRP   B HE1  1 
ATOM   2439 H  HE3  . TRP   B 1 32  ? -36.465 -16.295 22.630 1.00 23.39  ? 277 TRP   B HE3  1 
ATOM   2440 H  HZ2  . TRP   B 1 32  ? -31.839 -17.047 22.410 1.00 20.90  ? 277 TRP   B HZ2  1 
ATOM   2441 H  HZ3  . TRP   B 1 32  ? -35.496 -18.106 23.707 1.00 23.66  ? 277 TRP   B HZ3  1 
ATOM   2442 H  HH2  . TRP   B 1 32  ? -33.221 -18.486 23.561 1.00 22.61  ? 277 TRP   B HH2  1 
ATOM   2443 N  N    . HIS   B 1 33  ? -38.391 -15.780 20.032 1.00 23.48  ? 278 HIS   B N    1 
ATOM   2444 C  CA   . HIS   B 1 33  ? -38.786 -17.175 19.888 1.00 22.97  ? 278 HIS   B CA   1 
ATOM   2445 C  C    . HIS   B 1 33  ? -39.185 -17.509 18.455 1.00 21.77  ? 278 HIS   B C    1 
ATOM   2446 O  O    . HIS   B 1 33  ? -38.918 -18.612 17.974 1.00 20.27  ? 278 HIS   B O    1 
ATOM   2447 C  CB   . HIS   B 1 33  ? -39.932 -17.499 20.847 1.00 25.14  ? 278 HIS   B CB   1 
ATOM   2448 C  CG   . HIS   B 1 33  ? -39.509 -17.526 22.281 1.00 29.81  ? 278 HIS   B CG   1 
ATOM   2449 N  ND1  . HIS   B 1 33  ? -39.614 -16.431 23.110 1.00 29.31  ? 278 HIS   B ND1  1 
ATOM   2450 C  CD2  . HIS   B 1 33  ? -38.971 -18.517 23.032 1.00 29.46  ? 278 HIS   B CD2  1 
ATOM   2451 C  CE1  . HIS   B 1 33  ? -39.165 -16.742 24.312 1.00 29.68  ? 278 HIS   B CE1  1 
ATOM   2452 N  NE2  . HIS   B 1 33  ? -38.767 -18.002 24.293 1.00 29.54  ? 278 HIS   B NE2  1 
ATOM   2453 H  H    . HIS   B 1 33  ? -38.903 -15.312 20.541 1.00 28.20  ? 278 HIS   B H    1 
ATOM   2454 H  HA   . HIS   B 1 33  ? -38.025 -17.731 20.119 1.00 27.59  ? 278 HIS   B HA   1 
ATOM   2455 H  HB2  . HIS   B 1 33  ? -40.622 -16.824 20.751 1.00 30.19  ? 278 HIS   B HB2  1 
ATOM   2456 H  HB3  . HIS   B 1 33  ? -40.290 -18.373 20.625 1.00 30.19  ? 278 HIS   B HB3  1 
ATOM   2457 H  HD1  . HIS   B 1 33  ? -39.925 -15.663 22.880 1.00 35.19  ? 278 HIS   B HD1  1 
ATOM   2458 H  HD2  . HIS   B 1 33  ? -38.775 -19.381 22.750 1.00 35.38  ? 278 HIS   B HD2  1 
ATOM   2459 H  HE1  . HIS   B 1 33  ? -39.134 -16.171 25.046 1.00 35.65  ? 278 HIS   B HE1  1 
ATOM   2460 N  N    . ASP   B 1 34  ? -39.839 -16.581 17.755 1.00 23.26  ? 279 ASP   B N    1 
ATOM   2461 C  CA   . ASP   B 1 34  ? -40.179 -16.834 16.362 1.00 24.19  ? 279 ASP   B CA   1 
ATOM   2462 C  C    . ASP   B 1 34  ? -38.944 -16.824 15.473 1.00 20.44  ? 279 ASP   B C    1 
ATOM   2463 O  O    . ASP   B 1 34  ? -38.929 -17.494 14.428 1.00 18.96  ? 279 ASP   B O    1 
ATOM   2464 C  CB   . ASP   B 1 34  ? -41.185 -15.798 15.867 1.00 28.38  ? 279 ASP   B CB   1 
ATOM   2465 C  CG   . ASP   B 1 34  ? -42.562 -15.983 16.482 1.00 34.43  ? 279 ASP   B CG   1 
ATOM   2466 O  OD1  . ASP   B 1 34  ? -42.810 -17.048 17.099 1.00 34.98  ? 279 ASP   B OD1  1 
ATOM   2467 O  OD2  . ASP   B 1 34  ? -43.389 -15.055 16.346 1.00 38.13  ? 279 ASP   B OD2  1 
ATOM   2468 H  H    . ASP   B 1 34  ? -40.091 -15.816 18.056 1.00 27.94  ? 279 ASP   B H    1 
ATOM   2469 H  HA   . ASP   B 1 34  ? -40.592 -17.709 16.300 1.00 29.06  ? 279 ASP   B HA   1 
ATOM   2470 H  HB2  . ASP   B 1 34  ? -40.868 -14.911 16.100 1.00 34.09  ? 279 ASP   B HB2  1 
ATOM   2471 H  HB3  . ASP   B 1 34  ? -41.272 -15.876 14.904 1.00 34.09  ? 279 ASP   B HB3  1 
ATOM   2472 N  N    . SER   B 1 35  ? -37.896 -16.088 15.870 1.00 19.18  ? 280 SER   B N    1 
ATOM   2473 C  CA   . SER   B 1 35  ? -36.651 -16.099 15.113 1.00 18.23  ? 280 SER   B CA   1 
ATOM   2474 C  C    . SER   B 1 35  ? -35.959 -17.453 15.234 1.00 16.98  ? 280 SER   B C    1 
ATOM   2475 O  O    . SER   B 1 35  ? -35.370 -17.949 14.265 1.00 17.53  ? 280 SER   B O    1 
ATOM   2476 C  CB   . SER   B 1 35  ? -35.724 -14.970 15.586 1.00 18.73  ? 280 SER   B CB   1 
ATOM   2477 O  OG   . SER   B 1 35  ? -36.270 -13.683 15.247 1.00 16.90  ? 280 SER   B OG   1 
ATOM   2478 H  H    . SER   B 1 35  ? -37.884 -15.582 16.565 1.00 23.04  ? 280 SER   B H    1 
ATOM   2479 H  HA   . SER   B 1 35  ? -36.850 -15.938 14.177 1.00 21.90  ? 280 SER   B HA   1 
ATOM   2480 H  HB2  . SER   B 1 35  ? -35.624 -15.027 16.549 1.00 22.50  ? 280 SER   B HB2  1 
ATOM   2481 H  HB3  . SER   B 1 35  ? -34.861 -15.070 15.156 1.00 22.50  ? 280 SER   B HB3  1 
ATOM   2482 H  HG   . SER   B 1 35  ? -37.012 -13.577 15.627 1.00 20.30  ? 280 SER   B HG   1 
ATOM   2483 N  N    . ILE   B 1 36  ? -35.985 -18.045 16.429 1.00 16.36  ? 281 ILE   B N    1 
ATOM   2484 C  CA   . ILE   B 1 36  ? -35.473 -19.408 16.606 1.00 16.92  ? 281 ILE   B CA   1 
ATOM   2485 C  C    . ILE   B 1 36  ? -36.136 -20.357 15.606 1.00 16.72  ? 281 ILE   B C    1 
ATOM   2486 O  O    . ILE   B 1 36  ? -35.461 -21.143 14.916 1.00 18.46  ? 281 ILE   B O    1 
ATOM   2487 C  CB   . ILE   B 1 36  ? -35.681 -19.873 18.059 1.00 19.69  ? 281 ILE   B CB   1 
ATOM   2488 C  CG1  . ILE   B 1 36  ? -34.724 -19.121 18.986 1.00 22.15  ? 281 ILE   B CG1  1 
ATOM   2489 C  CG2  . ILE   B 1 36  ? -35.494 -21.397 18.180 1.00 24.37  ? 281 ILE   B CG2  1 
ATOM   2490 C  CD1  . ILE   B 1 36  ? -34.798 -19.512 20.392 1.00 27.72  ? 281 ILE   B CD1  1 
ATOM   2491 H  H    . ILE   B 1 36  ? -36.290 -17.685 17.148 1.00 19.66  ? 281 ILE   B H    1 
ATOM   2492 H  HA   . ILE   B 1 36  ? -34.520 -19.409 16.427 1.00 20.33  ? 281 ILE   B HA   1 
ATOM   2493 H  HB   . ILE   B 1 36  ? -36.592 -19.669 18.325 1.00 23.66  ? 281 ILE   B HB   1 
ATOM   2494 H  HG12 . ILE   B 1 36  ? -33.816 -19.281 18.686 1.00 26.61  ? 281 ILE   B HG12 1 
ATOM   2495 H  HG13 . ILE   B 1 36  ? -34.928 -18.174 18.936 1.00 26.61  ? 281 ILE   B HG13 1 
ATOM   2496 H  HG21 . ILE   B 1 36  ? -35.539 -21.647 19.116 1.00 29.27  ? 281 ILE   B HG21 1 
ATOM   2497 H  HG22 . ILE   B 1 36  ? -36.198 -21.842 17.684 1.00 29.27  ? 281 ILE   B HG22 1 
ATOM   2498 H  HG23 . ILE   B 1 36  ? -34.628 -21.638 17.815 1.00 29.27  ? 281 ILE   B HG23 1 
ATOM   2499 H  HD11 . ILE   B 1 36  ? -34.292 -18.878 20.923 1.00 33.29  ? 281 ILE   B HD11 1 
ATOM   2500 H  HD12 . ILE   B 1 36  ? -35.727 -19.512 20.671 1.00 33.29  ? 281 ILE   B HD12 1 
ATOM   2501 H  HD13 . ILE   B 1 36  ? -34.423 -20.401 20.492 1.00 33.29  ? 281 ILE   B HD13 1 
ATOM   2502 N  N    . THR   B 1 37  ? -37.470 -20.324 15.539 1.00 18.47  ? 282 THR   B N    1 
ATOM   2503 C  CA   A THR   B 1 37  ? -38.168 -21.251 14.659 0.34 20.85  ? 282 THR   B CA   1 
ATOM   2504 C  CA   B THR   B 1 37  ? -38.175 -21.243 14.658 0.66 20.75  ? 282 THR   B CA   1 
ATOM   2505 C  C    . THR   B 1 37  ? -37.886 -20.949 13.191 1.00 19.73  ? 282 THR   B C    1 
ATOM   2506 O  O    . THR   B 1 37  ? -37.843 -21.868 12.367 1.00 19.03  ? 282 THR   B O    1 
ATOM   2507 C  CB   A THR   B 1 37  ? -39.674 -21.208 14.943 0.34 24.47  ? 282 THR   B CB   1 
ATOM   2508 C  CB   B THR   B 1 37  ? -39.686 -21.163 14.924 0.66 24.63  ? 282 THR   B CB   1 
ATOM   2509 O  OG1  A THR   B 1 37  ? -40.199 -19.941 14.545 0.34 26.18  ? 282 THR   B OG1  1 
ATOM   2510 O  OG1  B THR   B 1 37  ? -39.944 -21.407 16.313 0.66 25.27  ? 282 THR   B OG1  1 
ATOM   2511 C  CG2  A THR   B 1 37  ? -39.937 -21.418 16.430 0.34 25.26  ? 282 THR   B CG2  1 
ATOM   2512 C  CG2  B THR   B 1 37  ? -40.427 -22.168 14.070 0.66 24.41  ? 282 THR   B CG2  1 
ATOM   2513 H  H    . THR   B 1 37  ? -37.976 -19.790 15.983 1.00 22.19  ? 282 THR   B H    1 
ATOM   2514 H  HA   . THR   B 1 37  ? -37.860 -22.153 14.840 1.00 24.93  ? 282 THR   B HA   1 
ATOM   2515 H  HB   A THR   B 1 37  ? -40.121 -21.912 14.446 0.34 29.39  ? 282 THR   B HB   1 
ATOM   2516 H  HB   B THR   B 1 37  ? -40.014 -20.279 14.696 0.66 29.59  ? 282 THR   B HB   1 
ATOM   2517 H  HG1  A THR   B 1 37  ? -39.821 -19.325 14.973 0.34 31.45  ? 282 THR   B HG1  1 
ATOM   2518 H  HG1  B THR   B 1 37  ? -39.661 -22.168 16.528 0.66 30.35  ? 282 THR   B HG1  1 
ATOM   2519 H  HG21 A THR   B 1 37  ? -40.847 -21.726 16.565 0.34 30.34  ? 282 THR   B HG21 1 
ATOM   2520 H  HG21 B THR   B 1 37  ? -41.162 -22.553 14.573 0.66 29.32  ? 282 THR   B HG21 1 
ATOM   2521 H  HG22 A THR   B 1 37  ? -39.324 -22.081 16.784 0.34 30.34  ? 282 THR   B HG22 1 
ATOM   2522 H  HG22 B THR   B 1 37  ? -40.781 -21.734 13.278 0.66 29.32  ? 282 THR   B HG22 1 
ATOM   2523 H  HG23 A THR   B 1 37  ? -39.812 -20.585 16.910 0.34 30.34  ? 282 THR   B HG23 1 
ATOM   2524 H  HG23 B THR   B 1 37  ? -39.826 -22.879 13.798 0.66 29.32  ? 282 THR   B HG23 1 
ATOM   2525 N  N    . ALA   B 1 38  ? -37.708 -19.684 12.848 1.00 18.69  ? 283 ALA   B N    1 
ATOM   2526 C  CA   . ALA   B 1 38  ? -37.400 -19.322 11.480 1.00 20.15  ? 283 ALA   B CA   1 
ATOM   2527 C  C    . ALA   B 1 38  ? -36.093 -19.960 11.026 1.00 17.79  ? 283 ALA   B C    1 
ATOM   2528 O  O    . ALA   B 1 38  ? -35.975 -20.414 9.877  1.00 18.81  ? 283 ALA   B O    1 
ATOM   2529 C  CB   . ALA   B 1 38  ? -37.330 -17.790 11.347 1.00 22.05  ? 283 ALA   B CB   1 
ATOM   2530 H  H    . ALA   B 1 38  ? -37.760 -19.016 13.387 1.00 22.45  ? 283 ALA   B H    1 
ATOM   2531 H  HA   . ALA   B 1 38  ? -38.108 -19.643 10.900 1.00 24.20  ? 283 ALA   B HA   1 
ATOM   2532 H  HB1  . ALA   B 1 38  ? -37.128 -17.562 10.426 1.00 26.49  ? 283 ALA   B HB1  1 
ATOM   2533 H  HB2  . ALA   B 1 38  ? -38.186 -17.412 11.602 1.00 26.49  ? 283 ALA   B HB2  1 
ATOM   2534 H  HB3  . ALA   B 1 38  ? -36.632 -17.454 11.932 1.00 26.49  ? 283 ALA   B HB3  1 
ATOM   2535 N  N    . CYS   B 1 39  ? -35.092 -20.008 11.907 1.00 13.60  ? 284 CYS   B N    1 
ATOM   2536 C  CA   . CYS   B 1 39  ? -33.831 -20.609 11.501 1.00 12.33  ? 284 CYS   B CA   1 
ATOM   2537 C  C    . CYS   B 1 39  ? -33.965 -22.112 11.383 1.00 14.01  ? 284 CYS   B C    1 
ATOM   2538 O  O    . CYS   B 1 39  ? -33.484 -22.698 10.429 1.00 15.67  ? 284 CYS   B O    1 
ATOM   2539 C  CB   . CYS   B 1 39  ? -32.705 -20.220 12.486 1.00 14.13  ? 284 CYS   B CB   1 
ATOM   2540 S  SG   . CYS   B 1 39  ? -32.337 -18.416 12.482 1.00 18.23  ? 284 CYS   B SG   1 
ATOM   2541 H  H    . CYS   B 1 39  ? -35.118 -19.710 12.714 1.00 16.35  ? 284 CYS   B H    1 
ATOM   2542 H  HA   . CYS   B 1 39  ? -33.580 -20.263 10.630 1.00 14.65  ? 284 CYS   B HA   1 
ATOM   2543 H  HB2  . CYS   B 1 39  ? -32.974 -20.469 13.385 1.00 16.98  ? 284 CYS   B HB2  1 
ATOM   2544 H  HB3  . CYS   B 1 39  ? -31.895 -20.692 12.240 1.00 16.98  ? 284 CYS   B HB3  1 
ATOM   2545 N  N    . LYS   B 1 40  ? -34.667 -22.743 12.321 1.00 16.64  ? 285 LYS   B N    1 
ATOM   2546 C  CA   . LYS   B 1 40  ? -34.842 -24.192 12.273 1.00 20.50  ? 285 LYS   B CA   1 
ATOM   2547 C  C    . LYS   B 1 40  ? -35.557 -24.608 10.996 1.00 21.70  ? 285 LYS   B C    1 
ATOM   2548 O  O    . LYS   B 1 40  ? -35.256 -25.651 10.425 1.00 22.97  ? 285 LYS   B O    1 
ATOM   2549 C  CB   . LYS   B 1 40  ? -35.613 -24.689 13.493 1.00 23.87  ? 285 LYS   B CB   1 
ATOM   2550 C  CG   . LYS   B 1 40  ? -34.861 -24.533 14.803 1.00 30.21  ? 285 LYS   B CG   1 
ATOM   2551 C  CD   . LYS   B 1 40  ? -35.699 -25.041 15.970 1.00 38.10  ? 285 LYS   B CD   1 
ATOM   2552 C  CE   . LYS   B 1 40  ? -34.838 -25.331 17.186 1.00 43.26  ? 285 LYS   B CE   1 
ATOM   2553 N  NZ   . LYS   B 1 40  ? -35.689 -25.633 18.376 1.00 46.31  ? 285 LYS   B NZ   1 
ATOM   2554 H  H    . LYS   B 1 40  ? -35.049 -22.363 12.991 1.00 19.99  ? 285 LYS   B H    1 
ATOM   2555 H  HA   . LYS   B 1 40  ? -33.966 -24.607 12.291 1.00 24.63  ? 285 LYS   B HA   1 
ATOM   2556 H  HB2  . LYS   B 1 40  ? -36.439 -24.186 13.565 1.00 28.68  ? 285 LYS   B HB2  1 
ATOM   2557 H  HB3  . LYS   B 1 40  ? -35.808 -25.632 13.375 1.00 28.68  ? 285 LYS   B HB3  1 
ATOM   2558 H  HG2  . LYS   B 1 40  ? -34.039 -25.046 14.767 1.00 36.28  ? 285 LYS   B HG2  1 
ATOM   2559 H  HG3  . LYS   B 1 40  ? -34.661 -23.596 14.952 1.00 36.28  ? 285 LYS   B HG3  1 
ATOM   2560 H  HD2  . LYS   B 1 40  ? -36.353 -24.367 16.213 1.00 45.75  ? 285 LYS   B HD2  1 
ATOM   2561 H  HD3  . LYS   B 1 40  ? -36.147 -25.861 15.711 1.00 45.75  ? 285 LYS   B HD3  1 
ATOM   2562 H  HE2  . LYS   B 1 40  ? -34.273 -26.100 17.007 1.00 51.94  ? 285 LYS   B HE2  1 
ATOM   2563 H  HE3  . LYS   B 1 40  ? -34.290 -24.557 17.387 1.00 51.94  ? 285 LYS   B HE3  1 
ATOM   2564 H  HZ1  . LYS   B 1 40  ? -35.177 -25.751 19.095 1.00 55.60  ? 285 LYS   B HZ1  1 
ATOM   2565 H  HZ2  . LYS   B 1 40  ? -36.250 -24.960 18.528 1.00 55.60  ? 285 LYS   B HZ2  1 
ATOM   2566 H  HZ3  . LYS   B 1 40  ? -36.160 -26.375 18.233 1.00 55.60  ? 285 LYS   B HZ3  1 
ATOM   2567 N  N    . GLU   B 1 41  ? -36.488 -23.794 10.526 1.00 21.72  ? 286 GLU   B N    1 
ATOM   2568 C  CA   . GLU   B 1 41  ? -37.245 -24.140 9.334  1.00 23.40  ? 286 GLU   B CA   1 
ATOM   2569 C  C    . GLU   B 1 41  ? -36.364 -24.188 8.097  1.00 25.99  ? 286 GLU   B C    1 
ATOM   2570 O  O    . GLU   B 1 41  ? -36.766 -24.809 7.100  1.00 30.83  ? 286 GLU   B O    1 
ATOM   2571 C  CB   . GLU   B 1 41  ? -38.405 -23.146 9.133  1.00 22.33  ? 286 GLU   B CB   1 
ATOM   2572 C  CG   . GLU   B 1 41  ? -39.529 -23.334 10.145 1.00 24.22  ? 286 GLU   B CG   1 
ATOM   2573 C  CD   . GLU   B 1 41  ? -40.568 -22.216 10.089 1.00 26.55  ? 286 GLU   B CD   1 
ATOM   2574 O  OE1  . GLU   B 1 41  ? -40.384 -21.277 9.291  1.00 27.81  ? 286 GLU   B OE1  1 
ATOM   2575 O  OE2  . GLU   B 1 41  ? -41.565 -22.274 10.845 1.00 26.20  ? 286 GLU   B OE2  1 
ATOM   2576 H  H    . GLU   B 1 41  ? -36.702 -23.038 10.875 1.00 26.09  ? 286 GLU   B H    1 
ATOM   2577 H  HA   . GLU   B 1 41  ? -37.637 -25.019 9.452  1.00 28.11  ? 286 GLU   B HA   1 
ATOM   2578 H  HB2  . GLU   B 1 41  ? -38.065 -22.243 9.226  1.00 26.82  ? 286 GLU   B HB2  1 
ATOM   2579 H  HB3  . GLU   B 1 41  ? -38.776 -23.271 8.246  1.00 26.82  ? 286 GLU   B HB3  1 
ATOM   2580 H  HG2  . GLU   B 1 41  ? -39.980 -24.173 9.963  1.00 29.10  ? 286 GLU   B HG2  1 
ATOM   2581 H  HG3  . GLU   B 1 41  ? -39.151 -23.347 11.038 1.00 29.10  ? 286 GLU   B HG3  1 
ATOM   2582 N  N    . VAL   B 1 42  ? -35.171 -23.590 8.139  1.00 22.45  ? 287 VAL   B N    1 
ATOM   2583 C  CA   . VAL   B 1 42  ? -34.258 -23.643 7.005  1.00 24.68  ? 287 VAL   B CA   1 
ATOM   2584 C  C    . VAL   B 1 42  ? -32.996 -24.410 7.380  1.00 25.80  ? 287 VAL   B C    1 
ATOM   2585 O  O    . VAL   B 1 42  ? -31.931 -24.182 6.792  1.00 30.16  ? 287 VAL   B O    1 
ATOM   2586 C  CB   . VAL   B 1 42  ? -33.889 -22.240 6.480  1.00 25.97  ? 287 VAL   B CB   1 
ATOM   2587 C  CG1  . VAL   B 1 42  ? -35.141 -21.524 5.922  1.00 28.06  ? 287 VAL   B CG1  1 
ATOM   2588 C  CG2  . VAL   B 1 42  ? -33.243 -21.402 7.548  1.00 25.32  ? 287 VAL   B CG2  1 
ATOM   2589 H  H    . VAL   B 1 42  ? -34.872 -23.149 8.814  1.00 26.97  ? 287 VAL   B H    1 
ATOM   2590 H  HA   . VAL   B 1 42  ? -34.713 -24.124 6.296  1.00 29.64  ? 287 VAL   B HA   1 
ATOM   2591 H  HB   . VAL   B 1 42  ? -33.247 -22.350 5.762  1.00 31.19  ? 287 VAL   B HB   1 
ATOM   2592 H  HG11 . VAL   B 1 42  ? -34.878 -20.663 5.561  1.00 33.70  ? 287 VAL   B HG11 1 
ATOM   2593 H  HG12 . VAL   B 1 42  ? -35.532 -22.070 5.222  1.00 33.70  ? 287 VAL   B HG12 1 
ATOM   2594 H  HG13 . VAL   B 1 42  ? -35.781 -21.399 6.641  1.00 33.70  ? 287 VAL   B HG13 1 
ATOM   2595 H  HG21 . VAL   B 1 42  ? -33.065 -20.518 7.191  1.00 30.41  ? 287 VAL   B HG21 1 
ATOM   2596 H  HG22 . VAL   B 1 42  ? -33.844 -21.338 8.306  1.00 30.41  ? 287 VAL   B HG22 1 
ATOM   2597 H  HG23 . VAL   B 1 42  ? -32.412 -21.823 7.819  1.00 30.41  ? 287 VAL   B HG23 1 
ATOM   2598 N  N    . GLY   B 1 43  ? -33.110 -25.322 8.342  1.00 21.54  ? 288 GLY   B N    1 
ATOM   2599 C  CA   . GLY   B 1 43  ? -31.994 -26.170 8.714  1.00 20.93  ? 288 GLY   B CA   1 
ATOM   2600 C  C    . GLY   B 1 43  ? -30.805 -25.426 9.285  1.00 18.64  ? 288 GLY   B C    1 
ATOM   2601 O  O    . GLY   B 1 43  ? -29.658 -25.824 9.057  1.00 20.84  ? 288 GLY   B O    1 
ATOM   2602 H  H    . GLY   B 1 43  ? -33.826 -25.468 8.794  1.00 25.88  ? 288 GLY   B H    1 
ATOM   2603 H  HA2  . GLY   B 1 43  ? -32.295 -26.807 9.380  1.00 25.15  ? 288 GLY   B HA2  1 
ATOM   2604 H  HA3  . GLY   B 1 43  ? -31.693 -26.653 7.928  1.00 25.15  ? 288 GLY   B HA3  1 
ATOM   2605 N  N    . ALA   B 1 44  ? -31.057 -24.379 10.067 1.00 14.35  ? 289 ALA   B N    1 
ATOM   2606 C  CA   . ALA   B 1 44  ? -30.014 -23.532 10.598 1.00 15.50  ? 289 ALA   B CA   1 
ATOM   2607 C  C    . ALA   B 1 44  ? -30.353 -23.257 12.069 1.00 15.95  ? 289 ALA   B C    1 
ATOM   2608 O  O    . ALA   B 1 44  ? -31.313 -23.813 12.618 1.00 16.46  ? 289 ALA   B O    1 
ATOM   2609 C  CB   . ALA   B 1 44  ? -29.900 -22.226 9.796  1.00 17.54  ? 289 ALA   B CB   1 
ATOM   2610 H  H    . ALA   B 1 44  ? -31.848 -24.139 10.305 1.00 17.25  ? 289 ALA   B H    1 
ATOM   2611 H  HA   . ALA   B 1 44  ? -29.170 -24.005 10.537 1.00 18.63  ? 289 ALA   B HA   1 
ATOM   2612 H  HB1  . ALA   B 1 44  ? -29.173 -21.696 10.158 1.00 21.08  ? 289 ALA   B HB1  1 
ATOM   2613 H  HB2  . ALA   B 1 44  ? -29.722 -22.440 8.867  1.00 21.08  ? 289 ALA   B HB2  1 
ATOM   2614 H  HB3  . ALA   B 1 44  ? -30.734 -21.736 9.869  1.00 21.08  ? 289 ALA   B HB3  1 
ATOM   2615 N  N    . GLN   B 1 45  ? -29.576 -22.361 12.686 1.00 16.39  ? 290 GLN   B N    1 
ATOM   2616 C  CA   . GLN   B 1 45  ? -29.698 -22.046 14.094 1.00 16.08  ? 290 GLN   B CA   1 
ATOM   2617 C  C    . GLN   B 1 45  ? -29.517 -20.559 14.306 1.00 14.06  ? 290 GLN   B C    1 
ATOM   2618 O  O    . GLN   B 1 45  ? -28.587 -19.972 13.762 1.00 14.83  ? 290 GLN   B O    1 
ATOM   2619 C  CB   . GLN   B 1 45  ? -28.634 -22.815 14.876 1.00 19.84  ? 290 GLN   B CB   1 
ATOM   2620 C  CG   . GLN   B 1 45  ? -28.665 -22.651 16.370 1.00 24.25  ? 290 GLN   B CG   1 
ATOM   2621 C  CD   . GLN   B 1 45  ? -27.631 -23.563 17.031 1.00 26.89  ? 290 GLN   B CD   1 
ATOM   2622 O  OE1  . GLN   B 1 45  ? -26.423 -23.375 16.858 1.00 27.22  ? 290 GLN   B OE1  1 
ATOM   2623 N  NE2  . GLN   B 1 45  ? -28.107 -24.581 17.748 1.00 27.70  ? 290 GLN   B NE2  1 
ATOM   2624 H  H    . GLN   B 1 45  ? -28.956 -21.915 12.290 1.00 19.70  ? 290 GLN   B H    1 
ATOM   2625 H  HA   . GLN   B 1 45  ? -30.584 -22.280 14.414 1.00 19.33  ? 290 GLN   B HA   1 
ATOM   2626 H  HB2  . GLN   B 1 45  ? -28.744 -23.760 14.689 1.00 23.84  ? 290 GLN   B HB2  1 
ATOM   2627 H  HB3  . GLN   B 1 45  ? -27.762 -22.517 14.573 1.00 23.84  ? 290 GLN   B HB3  1 
ATOM   2628 H  HG2  . GLN   B 1 45  ? -28.459 -21.731 16.600 1.00 29.12  ? 290 GLN   B HG2  1 
ATOM   2629 H  HG3  . GLN   B 1 45  ? -29.545 -22.887 16.704 1.00 29.12  ? 290 GLN   B HG3  1 
ATOM   2630 H  HE21 . GLN   B 1 45  ? -28.956 -24.696 17.821 1.00 33.27  ? 290 GLN   B HE21 1 
ATOM   2631 H  HE22 . GLN   B 1 45  ? -27.564 -25.121 18.139 1.00 33.27  ? 290 GLN   B HE22 1 
ATOM   2632 N  N    . LEU   B 1 46  ? -30.384 -19.950 15.111 1.00 14.10  ? 291 LEU   B N    1 
ATOM   2633 C  CA   . LEU   B 1 46  ? -30.197 -18.562 15.491 1.00 14.36  ? 291 LEU   B CA   1 
ATOM   2634 C  C    . LEU   B 1 46  ? -28.795 -18.380 16.041 1.00 14.39  ? 291 LEU   B C    1 
ATOM   2635 O  O    . LEU   B 1 46  ? -28.403 -19.075 16.995 1.00 15.45  ? 291 LEU   B O    1 
ATOM   2636 C  CB   . LEU   B 1 46  ? -31.264 -18.163 16.513 1.00 14.45  ? 291 LEU   B CB   1 
ATOM   2637 C  CG   . LEU   B 1 46  ? -31.315 -16.706 16.934 1.00 18.07  ? 291 LEU   B CG   1 
ATOM   2638 C  CD1  . LEU   B 1 46  ? -31.583 -15.787 15.733 1.00 21.09  ? 291 LEU   B CD1  1 
ATOM   2639 C  CD2  . LEU   B 1 46  ? -32.377 -16.483 17.999 1.00 18.72  ? 291 LEU   B CD2  1 
ATOM   2640 H  H    . LEU   B 1 46  ? -31.084 -20.319 15.447 1.00 16.95  ? 291 LEU   B H    1 
ATOM   2641 H  HA   . LEU   B 1 46  ? -30.302 -17.974 14.727 1.00 17.26  ? 291 LEU   B HA   1 
ATOM   2642 H  HB2  . LEU   B 1 46  ? -32.132 -18.378 16.136 1.00 17.37  ? 291 LEU   B HB2  1 
ATOM   2643 H  HB3  . LEU   B 1 46  ? -31.114 -18.684 17.318 1.00 17.37  ? 291 LEU   B HB3  1 
ATOM   2644 H  HG   . LEU   B 1 46  ? -30.451 -16.474 17.307 1.00 21.71  ? 291 LEU   B HG   1 
ATOM   2645 H  HD11 . LEU   B 1 46  ? -31.706 -14.879 16.051 1.00 25.34  ? 291 LEU   B HD11 1 
ATOM   2646 H  HD12 . LEU   B 1 46  ? -30.825 -15.827 15.129 1.00 25.34  ? 291 LEU   B HD12 1 
ATOM   2647 H  HD13 . LEU   B 1 46  ? -32.385 -16.089 15.277 1.00 25.34  ? 291 LEU   B HD13 1 
ATOM   2648 H  HD21 . LEU   B 1 46  ? -32.369 -15.549 18.263 1.00 22.49  ? 291 LEU   B HD21 1 
ATOM   2649 H  HD22 . LEU   B 1 46  ? -33.245 -16.716 17.634 1.00 22.49  ? 291 LEU   B HD22 1 
ATOM   2650 H  HD23 . LEU   B 1 46  ? -32.179 -17.044 18.765 1.00 22.49  ? 291 LEU   B HD23 1 
ATOM   2651 N  N    . VAL   B 1 47  ? -28.053 -17.405 15.476 1.00 12.53  ? 292 VAL   B N    1 
ATOM   2652 C  CA   . VAL   B 1 47  ? -26.585 -17.513 15.478 1.00 11.98  ? 292 VAL   B CA   1 
ATOM   2653 C  C    . VAL   B 1 47  ? -26.002 -17.664 16.880 1.00 12.56  ? 292 VAL   B C    1 
ATOM   2654 O  O    . VAL   B 1 47  ? -26.273 -16.857 17.785 1.00 11.87  ? 292 VAL   B O    1 
ATOM   2655 C  CB   . VAL   B 1 47  ? -25.957 -16.306 14.759 1.00 13.09  ? 292 VAL   B CB   1 
ATOM   2656 C  CG1  . VAL   B 1 47  ? -26.259 -14.985 15.475 1.00 13.16  ? 292 VAL   B CG1  1 
ATOM   2657 C  CG2  . VAL   B 1 47  ? -24.443 -16.483 14.637 1.00 14.06  ? 292 VAL   B CG2  1 
ATOM   2658 H  H    . VAL   B 1 47  ? -28.365 -16.697 15.099 1.00 15.06  ? 292 VAL   B H    1 
ATOM   2659 H  HA   . VAL   B 1 47  ? -26.375 -18.331 15.002 1.00 14.40  ? 292 VAL   B HA   1 
ATOM   2660 H  HB   . VAL   B 1 47  ? -26.351 -16.262 13.874 1.00 15.73  ? 292 VAL   B HB   1 
ATOM   2661 H  HG11 . VAL   B 1 47  ? -25.932 -14.251 14.932 1.00 15.82  ? 292 VAL   B HG11 1 
ATOM   2662 H  HG12 . VAL   B 1 47  ? -27.218 -14.905 15.597 1.00 15.82  ? 292 VAL   B HG12 1 
ATOM   2663 H  HG13 . VAL   B 1 47  ? -25.814 -14.984 16.336 1.00 15.82  ? 292 VAL   B HG13 1 
ATOM   2664 H  HG21 . VAL   B 1 47  ? -24.092 -15.796 14.049 1.00 16.89  ? 292 VAL   B HG21 1 
ATOM   2665 H  HG22 . VAL   B 1 47  ? -24.044 -16.401 15.517 1.00 16.89  ? 292 VAL   B HG22 1 
ATOM   2666 H  HG23 . VAL   B 1 47  ? -24.256 -17.361 14.269 1.00 16.89  ? 292 VAL   B HG23 1 
ATOM   2667 N  N    . VAL   B 1 48  ? -25.189 -18.707 17.057 1.00 14.34  ? 293 VAL   B N    1 
ATOM   2668 C  CA   . VAL   B 1 48  ? -24.381 -18.922 18.264 1.00 15.80  ? 293 VAL   B CA   1 
ATOM   2669 C  C    . VAL   B 1 48  ? -22.926 -18.594 17.926 1.00 17.02  ? 293 VAL   B C    1 
ATOM   2670 O  O    . VAL   B 1 48  ? -22.351 -19.209 17.022 1.00 19.58  ? 293 VAL   B O    1 
ATOM   2671 C  CB   . VAL   B 1 48  ? -24.502 -20.369 18.754 1.00 15.66  ? 293 VAL   B CB   1 
ATOM   2672 C  CG1  . VAL   B 1 48  ? -23.464 -20.678 19.818 1.00 18.41  ? 293 VAL   B CG1  1 
ATOM   2673 C  CG2  . VAL   B 1 48  ? -25.938 -20.665 19.234 1.00 13.45  ? 293 VAL   B CG2  1 
ATOM   2674 H  H    . VAL   B 1 48  ? -25.085 -19.327 16.470 1.00 17.24  ? 293 VAL   B H    1 
ATOM   2675 H  HA   . VAL   B 1 48  ? -24.678 -18.320 18.964 1.00 18.99  ? 293 VAL   B HA   1 
ATOM   2676 H  HB   . VAL   B 1 48  ? -24.322 -20.966 18.011 1.00 18.82  ? 293 VAL   B HB   1 
ATOM   2677 H  HG11 . VAL   B 1 48  ? -23.720 -21.490 20.283 1.00 22.12  ? 293 VAL   B HG11 1 
ATOM   2678 H  HG12 . VAL   B 1 48  ? -22.601 -20.799 19.392 1.00 22.12  ? 293 VAL   B HG12 1 
ATOM   2679 H  HG13 . VAL   B 1 48  ? -23.423 -19.937 20.443 1.00 22.12  ? 293 VAL   B HG13 1 
ATOM   2680 H  HG21 . VAL   B 1 48  ? -25.990 -21.589 19.525 1.00 16.17  ? 293 VAL   B HG21 1 
ATOM   2681 H  HG22 . VAL   B 1 48  ? -26.153 -20.073 19.971 1.00 16.17  ? 293 VAL   B HG22 1 
ATOM   2682 H  HG23 . VAL   B 1 48  ? -26.554 -20.515 18.499 1.00 16.17  ? 293 VAL   B HG23 1 
ATOM   2683 N  N    . ILE   B 1 49  ? -22.336 -17.647 18.647 1.00 15.68  ? 294 ILE   B N    1 
ATOM   2684 C  CA   . ILE   B 1 49  ? -21.001 -17.134 18.330 1.00 16.16  ? 294 ILE   B CA   1 
ATOM   2685 C  C    . ILE   B 1 49  ? -19.960 -17.965 19.075 1.00 15.84  ? 294 ILE   B C    1 
ATOM   2686 O  O    . ILE   B 1 49  ? -20.055 -18.155 20.286 1.00 18.65  ? 294 ILE   B O    1 
ATOM   2687 C  CB   . ILE   B 1 49  ? -20.871 -15.645 18.696 1.00 18.30  ? 294 ILE   B CB   1 
ATOM   2688 C  CG1  . ILE   B 1 49  ? -22.019 -14.836 18.091 1.00 17.31  ? 294 ILE   B CG1  1 
ATOM   2689 C  CG2  . ILE   B 1 49  ? -19.514 -15.114 18.249 1.00 21.68  ? 294 ILE   B CG2  1 
ATOM   2690 C  CD1  . ILE   B 1 49  ? -22.006 -13.327 18.437 1.00 14.63  ? 294 ILE   B CD1  1 
ATOM   2691 H  H    . ILE   B 1 49  ? -22.692 -17.278 19.337 1.00 18.84  ? 294 ILE   B H    1 
ATOM   2692 H  HA   . ILE   B 1 49  ? -20.849 -17.229 17.376 1.00 19.42  ? 294 ILE   B HA   1 
ATOM   2693 H  HB   . ILE   B 1 49  ? -20.929 -15.554 19.660 1.00 21.99  ? 294 ILE   B HB   1 
ATOM   2694 H  HG12 . ILE   B 1 49  ? -21.975 -14.914 17.126 1.00 20.80  ? 294 ILE   B HG12 1 
ATOM   2695 H  HG13 . ILE   B 1 49  ? -22.857 -15.202 18.416 1.00 20.80  ? 294 ILE   B HG13 1 
ATOM   2696 H  HG21 . ILE   B 1 49  ? -19.492 -14.154 18.380 1.00 26.04  ? 294 ILE   B HG21 1 
ATOM   2697 H  HG22 . ILE   B 1 49  ? -18.820 -15.536 18.779 1.00 26.04  ? 294 ILE   B HG22 1 
ATOM   2698 H  HG23 . ILE   B 1 49  ? -19.386 -15.324 17.311 1.00 26.04  ? 294 ILE   B HG23 1 
ATOM   2699 H  HD11 . ILE   B 1 49  ? -22.840 -12.928 18.142 1.00 17.59  ? 294 ILE   B HD11 1 
ATOM   2700 H  HD12 . ILE   B 1 49  ? -21.912 -13.223 19.396 1.00 17.59  ? 294 ILE   B HD12 1 
ATOM   2701 H  HD13 . ILE   B 1 49  ? -21.260 -12.905 17.983 1.00 17.59  ? 294 ILE   B HD13 1 
ATOM   2702 N  N    . LYS   B 1 50  ? -18.933 -18.438 18.353 1.00 13.43  ? 295 LYS   B N    1 
ATOM   2703 C  CA   . LYS   B 1 50  ? -17.920 -19.303 18.942 1.00 13.86  ? 295 LYS   B CA   1 
ATOM   2704 C  C    . LYS   B 1 50  ? -16.533 -18.672 19.016 1.00 15.97  ? 295 LYS   B C    1 
ATOM   2705 O  O    . LYS   B 1 50  ? -15.659 -19.240 19.704 1.00 18.49  ? 295 LYS   B O    1 
ATOM   2706 C  CB   . LYS   B 1 50  ? -17.829 -20.619 18.156 1.00 14.50  ? 295 LYS   B CB   1 
ATOM   2707 C  CG   . LYS   B 1 50  ? -19.108 -21.436 18.172 1.00 21.85  ? 295 LYS   B CG   1 
ATOM   2708 C  CD   . LYS   B 1 50  ? -19.376 -21.963 19.569 1.00 27.84  ? 295 LYS   B CD   1 
ATOM   2709 C  CE   . LYS   B 1 50  ? -20.517 -22.982 19.570 1.00 29.77  ? 295 LYS   B CE   1 
ATOM   2710 N  NZ   . LYS   B 1 50  ? -21.018 -23.247 20.968 1.00 29.32  ? 295 LYS   B NZ   1 
ATOM   2711 H  H    . LYS   B 1 50  ? -18.809 -18.267 17.519 1.00 16.15  ? 295 LYS   B H    1 
ATOM   2712 H  HA   . LYS   B 1 50  ? -18.190 -19.510 19.850 1.00 16.66  ? 295 LYS   B HA   1 
ATOM   2713 H  HB2  . LYS   B 1 50  ? -17.620 -20.415 17.231 1.00 17.43  ? 295 LYS   B HB2  1 
ATOM   2714 H  HB3  . LYS   B 1 50  ? -17.126 -21.163 18.543 1.00 17.43  ? 295 LYS   B HB3  1 
ATOM   2715 H  HG2  . LYS   B 1 50  ? -19.854 -20.879 17.901 1.00 26.25  ? 295 LYS   B HG2  1 
ATOM   2716 H  HG3  . LYS   B 1 50  ? -19.020 -22.190 17.567 1.00 26.25  ? 295 LYS   B HG3  1 
ATOM   2717 H  HD2  . LYS   B 1 50  ? -18.578 -22.397 19.908 1.00 33.44  ? 295 LYS   B HD2  1 
ATOM   2718 H  HD3  . LYS   B 1 50  ? -19.625 -21.226 20.149 1.00 33.44  ? 295 LYS   B HD3  1 
ATOM   2719 H  HE2  . LYS   B 1 50  ? -21.255 -22.640 19.041 1.00 35.75  ? 295 LYS   B HE2  1 
ATOM   2720 H  HE3  . LYS   B 1 50  ? -20.201 -23.819 19.195 1.00 35.75  ? 295 LYS   B HE3  1 
ATOM   2721 H  HZ1  . LYS   B 1 50  ? -21.698 -23.821 20.944 1.00 35.21  ? 295 LYS   B HZ1  1 
ATOM   2722 H  HZ2  . LYS   B 1 50  ? -20.365 -23.593 21.464 1.00 35.21  ? 295 LYS   B HZ2  1 
ATOM   2723 H  HZ3  . LYS   B 1 50  ? -21.293 -22.488 21.342 1.00 35.21  ? 295 LYS   B HZ3  1 
ATOM   2724 N  N    . SER   B 1 51  ? -16.293 -17.533 18.351 1.00 17.01  ? 296 SER   B N    1 
ATOM   2725 C  CA   . SER   B 1 51  ? -14.970 -16.926 18.360 1.00 16.77  ? 296 SER   B CA   1 
ATOM   2726 C  C    . SER   B 1 51  ? -15.062 -15.398 18.285 1.00 15.09  ? 296 SER   B C    1 
ATOM   2727 O  O    . SER   B 1 51  ? -16.088 -14.825 17.897 1.00 15.65  ? 296 SER   B O    1 
ATOM   2728 C  CB   . SER   B 1 51  ? -14.109 -17.424 17.189 1.00 18.00  ? 296 SER   B CB   1 
ATOM   2729 O  OG   . SER   B 1 51  ? -14.563 -16.881 15.936 1.00 16.25  ? 296 SER   B OG   1 
ATOM   2730 H  H    . SER   B 1 51  ? -16.880 -17.102 17.893 1.00 20.43  ? 296 SER   B H    1 
ATOM   2731 H  HA   . SER   B 1 51  ? -14.553 -17.160 19.204 1.00 20.16  ? 296 SER   B HA   1 
ATOM   2732 H  HB2  . SER   B 1 51  ? -13.190 -17.149 17.336 1.00 21.63  ? 296 SER   B HB2  1 
ATOM   2733 H  HB3  . SER   B 1 51  ? -14.163 -18.392 17.150 1.00 21.63  ? 296 SER   B HB3  1 
ATOM   2734 H  HG   . SER   B 1 51  ? -14.061 -17.137 15.314 1.00 19.52  ? 296 SER   B HG   1 
ATOM   2735 N  N    . ALA   B 1 52  ? -13.967 -14.743 18.694 1.00 15.54  ? 297 ALA   B N    1 
ATOM   2736 C  CA   . ALA   B 1 52  ? -13.889 -13.284 18.628 1.00 17.30  ? 297 ALA   B CA   1 
ATOM   2737 C  C    . ALA   B 1 52  ? -13.981 -12.771 17.188 1.00 16.48  ? 297 ALA   B C    1 
ATOM   2738 O  O    . ALA   B 1 52  ? -14.650 -11.755 16.923 1.00 16.54  ? 297 ALA   B O    1 
ATOM   2739 C  CB   . ALA   B 1 52  ? -12.599 -12.802 19.290 1.00 18.87  ? 297 ALA   B CB   1 
ATOM   2740 H  H    . ALA   B 1 52  ? -13.260 -15.118 19.010 1.00 18.68  ? 297 ALA   B H    1 
ATOM   2741 H  HA   . ALA   B 1 52  ? -14.640 -12.913 19.118 1.00 20.79  ? 297 ALA   B HA   1 
ATOM   2742 H  HB1  . ALA   B 1 52  ? -12.559 -11.834 19.238 1.00 22.67  ? 297 ALA   B HB1  1 
ATOM   2743 H  HB2  . ALA   B 1 52  ? -12.595 -13.083 20.218 1.00 22.67  ? 297 ALA   B HB2  1 
ATOM   2744 H  HB3  . ALA   B 1 52  ? -11.841 -13.189 18.824 1.00 22.67  ? 297 ALA   B HB3  1 
ATOM   2745 N  N    . GLU   B 1 53  ? -13.290 -13.438 16.248 1.00 15.20  ? 298 GLU   B N    1 
ATOM   2746 C  CA   . GLU   B 1 53  ? -13.374 -13.043 14.847 1.00 19.08  ? 298 GLU   B CA   1 
ATOM   2747 C  C    . GLU   B 1 53  ? -14.802 -13.151 14.307 1.00 16.25  ? 298 GLU   B C    1 
ATOM   2748 O  O    . GLU   B 1 53  ? -15.237 -12.329 13.493 1.00 15.66  ? 298 GLU   B O    1 
ATOM   2749 C  CB   . GLU   B 1 53  ? -12.444 -13.892 13.990 1.00 31.36  ? 298 GLU   B CB   1 
ATOM   2750 C  CG   . GLU   B 1 53  ? -11.121 -13.247 13.655 1.00 48.45  ? 298 GLU   B CG   1 
ATOM   2751 C  CD   . GLU   B 1 53  ? -10.190 -14.208 12.926 1.00 61.82  ? 298 GLU   B CD   1 
ATOM   2752 O  OE1  . GLU   B 1 53  ? -9.979  -15.318 13.459 1.00 65.37  ? 298 GLU   B OE1  1 
ATOM   2753 O  OE2  . GLU   B 1 53  ? -9.685  -13.862 11.835 1.00 66.14  ? 298 GLU   B OE2  1 
ATOM   2754 H  H    . GLU   B 1 53  ? -12.775 -14.110 16.398 1.00 18.27  ? 298 GLU   B H    1 
ATOM   2755 H  HA   . GLU   B 1 53  ? -13.091 -12.117 14.789 1.00 22.93  ? 298 GLU   B HA   1 
ATOM   2756 H  HB2  . GLU   B 1 53  ? -12.254 -14.716 14.466 1.00 37.66  ? 298 GLU   B HB2  1 
ATOM   2757 H  HB3  . GLU   B 1 53  ? -12.892 -14.090 13.152 1.00 37.66  ? 298 GLU   B HB3  1 
ATOM   2758 H  HG2  . GLU   B 1 53  ? -11.276 -12.481 13.081 1.00 58.17  ? 298 GLU   B HG2  1 
ATOM   2759 H  HG3  . GLU   B 1 53  ? -10.686 -12.966 14.475 1.00 58.17  ? 298 GLU   B HG3  1 
ATOM   2760 N  N    . GLU   B 1 54  ? -15.526 -14.186 14.701 1.00 15.16  ? 299 GLU   B N    1 
ATOM   2761 C  CA   . GLU   B 1 54  ? -16.917 -14.321 14.280 1.00 14.43  ? 299 GLU   B CA   1 
ATOM   2762 C  C    . GLU   B 1 54  ? -17.763 -13.184 14.829 1.00 13.59  ? 299 GLU   B C    1 
ATOM   2763 O  O    . GLU   B 1 54  ? -18.588 -12.610 14.113 1.00 14.36  ? 299 GLU   B O    1 
ATOM   2764 C  CB   . GLU   B 1 54  ? -17.452 -15.679 14.725 1.00 15.07  ? 299 GLU   B CB   1 
ATOM   2765 C  CG   . GLU   B 1 54  ? -18.808 -16.012 14.173 1.00 17.05  ? 299 GLU   B CG   1 
ATOM   2766 C  CD   . GLU   B 1 54  ? -19.326 -17.377 14.688 1.00 18.42  ? 299 GLU   B CD   1 
ATOM   2767 O  OE1  . GLU   B 1 54  ? -20.327 -17.870 14.129 1.00 18.95  ? 299 GLU   B OE1  1 
ATOM   2768 O  OE2  . GLU   B 1 54  ? -18.701 -17.961 15.604 1.00 17.95  ? 299 GLU   B OE2  1 
ATOM   2769 H  H    . GLU   B 1 54  ? -15.245 -14.821 15.208 1.00 18.23  ? 299 GLU   B H    1 
ATOM   2770 H  HA   . GLU   B 1 54  ? -16.971 -14.283 13.312 1.00 17.35  ? 299 GLU   B HA   1 
ATOM   2771 H  HB2  . GLU   B 1 54  ? -16.836 -16.367 14.430 1.00 18.11  ? 299 GLU   B HB2  1 
ATOM   2772 H  HB3  . GLU   B 1 54  ? -17.517 -15.685 15.692 1.00 18.11  ? 299 GLU   B HB3  1 
ATOM   2773 H  HG2  . GLU   B 1 54  ? -19.439 -15.327 14.443 1.00 20.48  ? 299 GLU   B HG2  1 
ATOM   2774 H  HG3  . GLU   B 1 54  ? -18.757 -16.053 13.205 1.00 20.48  ? 299 GLU   B HG3  1 
ATOM   2775 N  N    . GLN   B 1 55  ? -17.567 -12.836 16.100 1.00 13.87  ? 300 GLN   B N    1 
ATOM   2776 C  CA   . GLN   B 1 55  ? -18.285 -11.714 16.695 1.00 14.74  ? 300 GLN   B CA   1 
ATOM   2777 C  C    . GLN   B 1 55  ? -18.033 -10.426 15.925 1.00 16.04  ? 300 GLN   B C    1 
ATOM   2778 O  O    . GLN   B 1 55  ? -18.974 -9.694  15.612 1.00 17.37  ? 300 GLN   B O    1 
ATOM   2779 C  CB   . GLN   B 1 55  ? -17.901 -11.552 18.169 1.00 15.29  ? 300 GLN   B CB   1 
ATOM   2780 C  CG   . GLN   B 1 55  ? -17.988 -10.154 18.729 1.00 15.32  ? 300 GLN   B CG   1 
ATOM   2781 C  CD   . GLN   B 1 55  ? -19.393 -9.555  18.728 1.00 15.92  ? 300 GLN   B CD   1 
ATOM   2782 O  OE1  . GLN   B 1 55  ? -20.387 -10.250 18.597 1.00 16.20  ? 300 GLN   B OE1  1 
ATOM   2783 N  NE2  . GLN   B 1 55  ? -19.461 -8.239  18.883 1.00 16.89  ? 300 GLN   B NE2  1 
ATOM   2784 H  H    . GLN   B 1 55  ? -17.026 -13.231 16.639 1.00 16.67  ? 300 GLN   B H    1 
ATOM   2785 H  HA   . GLN   B 1 55  ? -19.236 -11.904 16.658 1.00 17.72  ? 300 GLN   B HA   1 
ATOM   2786 H  HB2  . GLN   B 1 55  ? -18.491 -12.109 18.699 1.00 18.38  ? 300 GLN   B HB2  1 
ATOM   2787 H  HB3  . GLN   B 1 55  ? -16.982 -11.846 18.277 1.00 18.38  ? 300 GLN   B HB3  1 
ATOM   2788 H  HG2  . GLN   B 1 55  ? -17.678 -10.170 19.648 1.00 18.41  ? 300 GLN   B HG2  1 
ATOM   2789 H  HG3  . GLN   B 1 55  ? -17.422 -9.573  18.198 1.00 18.41  ? 300 GLN   B HG3  1 
ATOM   2790 H  HE21 . GLN   B 1 55  ? -18.740 -7.779  18.975 1.00 20.30  ? 300 GLN   B HE21 1 
ATOM   2791 H  HE22 . GLN   B 1 55  ? -20.225 -7.846  18.890 1.00 20.30  ? 300 GLN   B HE22 1 
ATOM   2792 N  N    . ASN   B 1 56  ? -16.772 -10.157 15.581 1.00 14.37  ? 301 ASN   B N    1 
ATOM   2793 C  CA   . ASN   B 1 56  ? -16.449 -8.921  14.863 1.00 15.20  ? 301 ASN   B CA   1 
ATOM   2794 C  C    . ASN   B 1 56  ? -17.134 -8.901  13.500 1.00 14.45  ? 301 ASN   B C    1 
ATOM   2795 O  O    . ASN   B 1 56  ? -17.643 -7.877  13.070 1.00 14.51  ? 301 ASN   B O    1 
ATOM   2796 C  CB   . ASN   B 1 56  ? -14.933 -8.783  14.693 1.00 17.42  ? 301 ASN   B CB   1 
ATOM   2797 C  CG   . ASN   B 1 56  ? -14.196 -8.669  16.033 1.00 19.36  ? 301 ASN   B CG   1 
ATOM   2798 O  OD1  . ASN   B 1 56  ? -14.794 -8.357  17.056 1.00 21.15  ? 301 ASN   B OD1  1 
ATOM   2799 N  ND2  . ASN   B 1 56  ? -12.902 -8.943  16.018 1.00 19.55  ? 301 ASN   B ND2  1 
ATOM   2800 H  H    . ASN   B 1 56  ? -16.095 -10.660 15.747 1.00 17.27  ? 301 ASN   B H    1 
ATOM   2801 H  HA   . ASN   B 1 56  ? -16.761 -8.164  15.384 1.00 18.26  ? 301 ASN   B HA   1 
ATOM   2802 H  HB2  . ASN   B 1 56  ? -14.594 -9.565  14.229 1.00 20.93  ? 301 ASN   B HB2  1 
ATOM   2803 H  HB3  . ASN   B 1 56  ? -14.744 -7.983  14.177 1.00 20.93  ? 301 ASN   B HB3  1 
ATOM   2804 H  HD21 . ASN   B 1 56  ? -12.444 -8.894  16.745 1.00 23.49  ? 301 ASN   B HD21 1 
ATOM   2805 H  HD22 . ASN   B 1 56  ? -12.519 -9.170  15.283 1.00 23.49  ? 301 ASN   B HD22 1 
ATOM   2806 N  N    . PHE   B 1 57  ? -17.132 -10.037 12.811 1.00 13.70  ? 302 PHE   B N    1 
ATOM   2807 C  CA   . PHE   B 1 57  ? -17.773 -10.172 11.507 1.00 13.65  ? 302 PHE   B CA   1 
ATOM   2808 C  C    . PHE   B 1 57  ? -19.266 -9.862  11.590 1.00 14.68  ? 302 PHE   B C    1 
ATOM   2809 O  O    . PHE   B 1 57  ? -19.803 -9.076  10.780 1.00 14.90  ? 302 PHE   B O    1 
ATOM   2810 C  CB   . PHE   B 1 57  ? -17.471 -11.585 10.978 1.00 13.83  ? 302 PHE   B CB   1 
ATOM   2811 C  CG   . PHE   B 1 57  ? -18.397 -12.083 9.876  1.00 16.64  ? 302 PHE   B CG   1 
ATOM   2812 C  CD1  . PHE   B 1 57  ? -18.282 -11.601 8.576  1.00 18.93  ? 302 PHE   B CD1  1 
ATOM   2813 C  CD2  . PHE   B 1 57  ? -19.323 -13.083 10.142 1.00 19.51  ? 302 PHE   B CD2  1 
ATOM   2814 C  CE1  . PHE   B 1 57  ? -19.125 -12.073 7.565  1.00 21.83  ? 302 PHE   B CE1  1 
ATOM   2815 C  CE2  . PHE   B 1 57  ? -20.184 -13.569 9.115  1.00 21.72  ? 302 PHE   B CE2  1 
ATOM   2816 C  CZ   . PHE   B 1 57  ? -20.070 -13.065 7.841  1.00 23.03  ? 302 PHE   B CZ   1 
ATOM   2817 H  H    . PHE   B 1 57  ? -16.760 -10.764 13.080 1.00 16.29  ? 302 PHE   B H    1 
ATOM   2818 H  HA   . PHE   B 1 57  ? -17.413 -9.533  10.871 1.00 16.24  ? 302 PHE   B HA   1 
ATOM   2819 H  HB2  . PHE   B 1 57  ? -16.568 -11.592 10.623 1.00 16.46  ? 302 PHE   B HB2  1 
ATOM   2820 H  HB3  . PHE   B 1 57  ? -17.541 -12.209 11.718 1.00 16.46  ? 302 PHE   B HB3  1 
ATOM   2821 H  HD1  . PHE   B 1 57  ? -17.639 -10.959 8.378  1.00 22.74  ? 302 PHE   B HD1  1 
ATOM   2822 H  HD2  . PHE   B 1 57  ? -19.382 -13.440 10.999 1.00 23.45  ? 302 PHE   B HD2  1 
ATOM   2823 H  HE1  . PHE   B 1 57  ? -19.057 -11.726 6.705  1.00 26.22  ? 302 PHE   B HE1  1 
ATOM   2824 H  HE2  . PHE   B 1 57  ? -20.818 -14.222 9.305  1.00 26.10  ? 302 PHE   B HE2  1 
ATOM   2825 H  HZ   . PHE   B 1 57  ? -20.622 -13.385 7.163  1.00 27.67  ? 302 PHE   B HZ   1 
ATOM   2826 N  N    . LEU   B 1 58  ? -19.959 -10.462 12.566 1.00 14.68  ? 303 LEU   B N    1 
ATOM   2827 C  CA   . LEU   B 1 58  ? -21.397 -10.246 12.703 1.00 13.17  ? 303 LEU   B CA   1 
ATOM   2828 C  C    . LEU   B 1 58  ? -21.705 -8.827  13.149 1.00 12.72  ? 303 LEU   B C    1 
ATOM   2829 O  O    . LEU   B 1 58  ? -22.649 -8.193  12.649 1.00 13.55  ? 303 LEU   B O    1 
ATOM   2830 C  CB   . LEU   B 1 58  ? -21.986 -11.244 13.698 1.00 13.38  ? 303 LEU   B CB   1 
ATOM   2831 C  CG   . LEU   B 1 58  ? -21.856 -12.719 13.306 1.00 14.94  ? 303 LEU   B CG   1 
ATOM   2832 C  CD1  . LEU   B 1 58  ? -22.081 -13.607 14.505 1.00 13.76  ? 303 LEU   B CD1  1 
ATOM   2833 C  CD2  . LEU   B 1 58  ? -22.824 -13.055 12.175 1.00 16.78  ? 303 LEU   B CD2  1 
ATOM   2834 H  H    . LEU   B 1 58  ? -19.624 -10.993 13.153 1.00 17.64  ? 303 LEU   B H    1 
ATOM   2835 H  HA   . LEU   B 1 58  ? -21.813 -10.391 11.838 1.00 15.84  ? 303 LEU   B HA   1 
ATOM   2836 H  HB2  . LEU   B 1 58  ? -21.533 -11.129 14.548 1.00 16.08  ? 303 LEU   B HB2  1 
ATOM   2837 H  HB3  . LEU   B 1 58  ? -22.932 -11.053 13.797 1.00 16.08  ? 303 LEU   B HB3  1 
ATOM   2838 H  HG   . LEU   B 1 58  ? -20.957 -12.889 12.983 1.00 17.95  ? 303 LEU   B HG   1 
ATOM   2839 H  HD11 . LEU   B 1 58  ? -21.985 -14.533 14.234 1.00 16.54  ? 303 LEU   B HD11 1 
ATOM   2840 H  HD12 . LEU   B 1 58  ? -21.424 -13.391 15.185 1.00 16.54  ? 303 LEU   B HD12 1 
ATOM   2841 H  HD13 . LEU   B 1 58  ? -22.975 -13.453 14.848 1.00 16.54  ? 303 LEU   B HD13 1 
ATOM   2842 H  HD21 . LEU   B 1 58  ? -22.781 -14.007 11.994 1.00 20.17  ? 303 LEU   B HD21 1 
ATOM   2843 H  HD22 . LEU   B 1 58  ? -23.723 -12.810 12.445 1.00 20.17  ? 303 LEU   B HD22 1 
ATOM   2844 H  HD23 . LEU   B 1 58  ? -22.569 -12.556 11.383 1.00 20.17  ? 303 LEU   B HD23 1 
ATOM   2845 N  N    . GLN   B 1 59  ? -20.943 -8.324  14.118 1.00 12.08  ? 304 GLN   B N    1 
ATOM   2846 C  CA   . GLN   B 1 59  ? -21.193 -6.974  14.640 1.00 12.79  ? 304 GLN   B CA   1 
ATOM   2847 C  C    . GLN   B 1 59  ? -21.040 -5.917  13.556 1.00 15.87  ? 304 GLN   B C    1 
ATOM   2848 O  O    . GLN   B 1 59  ? -21.801 -4.933  13.520 1.00 15.74  ? 304 GLN   B O    1 
ATOM   2849 C  CB   . GLN   B 1 59  ? -20.254 -6.697  15.799 1.00 14.25  ? 304 GLN   B CB   1 
ATOM   2850 C  CG   . GLN   B 1 59  ? -20.613 -5.422  16.598 1.00 17.91  ? 304 GLN   B CG   1 
ATOM   2851 C  CD   . GLN   B 1 59  ? -21.791 -5.642  17.533 1.00 17.44  ? 304 GLN   B CD   1 
ATOM   2852 O  OE1  . GLN   B 1 59  ? -21.752 -6.518  18.381 1.00 17.25  ? 304 GLN   B OE1  1 
ATOM   2853 N  NE2  . GLN   B 1 59  ? -22.840 -4.849  17.371 1.00 15.36  ? 304 GLN   B NE2  1 
ATOM   2854 H  H    . GLN   B 1 59  ? -20.282 -8.731  14.489 1.00 14.35  ? 304 GLN   B H    1 
ATOM   2855 H  HA   . GLN   B 1 59  ? -22.105 -6.926  14.967 1.00 15.38  ? 304 GLN   B HA   1 
ATOM   2856 H  HB2  . GLN   B 1 59  ? -20.283 -7.449  16.412 1.00 17.12  ? 304 GLN   B HB2  1 
ATOM   2857 H  HB3  . GLN   B 1 59  ? -19.354 -6.587  15.453 1.00 17.12  ? 304 GLN   B HB3  1 
ATOM   2858 H  HG2  . GLN   B 1 59  ? -19.849 -5.155  17.132 1.00 21.52  ? 304 GLN   B HG2  1 
ATOM   2859 H  HG3  . GLN   B 1 59  ? -20.847 -4.714  15.977 1.00 21.52  ? 304 GLN   B HG3  1 
ATOM   2860 H  HE21 . GLN   B 1 59  ? -22.832 -4.245  16.759 1.00 18.46  ? 304 GLN   B HE21 1 
ATOM   2861 H  HE22 . GLN   B 1 59  ? -23.528 -4.938  17.878 1.00 18.46  ? 304 GLN   B HE22 1 
ATOM   2862 N  N    . LEU   B 1 60  ? -20.042 -6.077  12.691 1.00 18.00  ? 305 LEU   B N    1 
ATOM   2863 C  CA   . LEU   B 1 60  ? -19.816 -5.115  11.613 1.00 20.36  ? 305 LEU   B CA   1 
ATOM   2864 C  C    . LEU   B 1 60  ? -21.040 -5.016  10.709 1.00 17.89  ? 305 LEU   B C    1 
ATOM   2865 O  O    . LEU   B 1 60  ? -21.413 -3.920  10.279 1.00 18.10  ? 305 LEU   B O    1 
ATOM   2866 C  CB   . LEU   B 1 60  ? -18.593 -5.531  10.788 1.00 28.48  ? 305 LEU   B CB   1 
ATOM   2867 C  CG   . LEU   B 1 60  ? -17.221 -5.056  11.270 1.00 40.29  ? 305 LEU   B CG   1 
ATOM   2868 C  CD1  . LEU   B 1 60  ? -16.091 -5.942  10.772 1.00 43.46  ? 305 LEU   B CD1  1 
ATOM   2869 C  CD2  . LEU   B 1 60  ? -16.998 -3.617  10.805 1.00 46.05  ? 305 LEU   B CD2  1 
ATOM   2870 H  H    . LEU   B 1 60  ? -19.483 -6.730  12.702 1.00 21.63  ? 305 LEU   B H    1 
ATOM   2871 H  HA   . LEU   B 1 60  ? -19.643 -4.243  12.002 1.00 24.46  ? 305 LEU   B HA   1 
ATOM   2872 H  HB2  . LEU   B 1 60  ? -18.564 -6.501  10.769 1.00 34.21  ? 305 LEU   B HB2  1 
ATOM   2873 H  HB3  . LEU   B 1 60  ? -18.710 -5.186  9.889  1.00 34.21  ? 305 LEU   B HB3  1 
ATOM   2874 H  HG   . LEU   B 1 60  ? -17.205 -5.101  12.239 1.00 48.37  ? 305 LEU   B HG   1 
ATOM   2875 H  HD11 . LEU   B 1 60  ? -15.252 -5.616  11.133 1.00 52.18  ? 305 LEU   B HD11 1 
ATOM   2876 H  HD12 . LEU   B 1 60  ? -16.248 -6.852  11.069 1.00 52.18  ? 305 LEU   B HD12 1 
ATOM   2877 H  HD13 . LEU   B 1 60  ? -16.068 -5.909  9.802  1.00 52.18  ? 305 LEU   B HD13 1 
ATOM   2878 H  HD21 . LEU   B 1 60  ? -16.147 -3.303  11.149 1.00 55.29  ? 305 LEU   B HD21 1 
ATOM   2879 H  HD22 . LEU   B 1 60  ? -16.992 -3.596  9.836  1.00 55.29  ? 305 LEU   B HD22 1 
ATOM   2880 H  HD23 . LEU   B 1 60  ? -17.718 -3.061  11.143 1.00 55.29  ? 305 LEU   B HD23 1 
ATOM   2881 N  N    . GLN   B 1 61  ? -21.681 -6.153  10.423 1.00 18.11  ? 306 GLN   B N    1 
ATOM   2882 C  CA   . GLN   B 1 61  ? -22.824 -6.157  9.499  1.00 18.85  ? 306 GLN   B CA   1 
ATOM   2883 C  C    . GLN   B 1 61  ? -24.054 -5.515  10.142 1.00 15.48  ? 306 GLN   B C    1 
ATOM   2884 O  O    . GLN   B 1 61  ? -24.754 -4.737  9.497  1.00 15.48  ? 306 GLN   B O    1 
ATOM   2885 C  CB   . GLN   B 1 61  ? -23.121 -7.600  9.070  1.00 22.27  ? 306 GLN   B CB   1 
ATOM   2886 C  CG   . GLN   B 1 61  ? -24.389 -7.780  8.224  1.00 23.95  ? 306 GLN   B CG   1 
ATOM   2887 C  CD   . GLN   B 1 61  ? -24.341 -7.064  6.902  1.00 25.36  ? 306 GLN   B CD   1 
ATOM   2888 O  OE1  . GLN   B 1 61  ? -23.311 -6.524  6.496  1.00 25.17  ? 306 GLN   B OE1  1 
ATOM   2889 N  NE2  . GLN   B 1 61  ? -25.484 -7.047  6.201  1.00 26.47  ? 306 GLN   B NE2  1 
ATOM   2890 H  H    . GLN   B 1 61  ? -21.482 -6.925  10.743 1.00 21.76  ? 306 GLN   B H    1 
ATOM   2891 H  HA   . GLN   B 1 61  ? -22.604 -5.643  8.707  1.00 22.65  ? 306 GLN   B HA   1 
ATOM   2892 H  HB2  . GLN   B 1 61  ? -22.373 -7.923  8.545  1.00 26.76  ? 306 GLN   B HB2  1 
ATOM   2893 H  HB3  . GLN   B 1 61  ? -23.225 -8.141  9.868  1.00 26.76  ? 306 GLN   B HB3  1 
ATOM   2894 H  HG2  . GLN   B 1 61  ? -24.512 -8.725  8.044  1.00 28.77  ? 306 GLN   B HG2  1 
ATOM   2895 H  HG3  . GLN   B 1 61  ? -25.147 -7.435  8.720  1.00 28.77  ? 306 GLN   B HG3  1 
ATOM   2896 H  HE21 . GLN   B 1 61  ? -26.187 -7.432  6.515  1.00 31.79  ? 306 GLN   B HE21 1 
ATOM   2897 H  HE22 . GLN   B 1 61  ? -25.515 -6.652  5.438  1.00 31.79  ? 306 GLN   B HE22 1 
ATOM   2898 N  N    . SER   B 1 62  ? -24.320 -5.831  11.410 1.00 15.55  ? 307 SER   B N    1 
ATOM   2899 C  CA   A SER   B 1 62  ? -25.394 -5.166  12.137 0.40 18.69  ? 307 SER   B CA   1 
ATOM   2900 C  CA   B SER   B 1 62  ? -25.395 -5.164  12.136 0.60 18.95  ? 307 SER   B CA   1 
ATOM   2901 C  C    . SER   B 1 62  ? -25.134 -3.667  12.253 1.00 17.78  ? 307 SER   B C    1 
ATOM   2902 O  O    . SER   B 1 62  ? -26.046 -2.855  12.091 1.00 19.27  ? 307 SER   B O    1 
ATOM   2903 C  CB   A SER   B 1 62  ? -25.536 -5.784  13.532 0.40 22.09  ? 307 SER   B CB   1 
ATOM   2904 C  CB   B SER   B 1 62  ? -25.545 -5.770  13.539 0.60 22.22  ? 307 SER   B CB   1 
ATOM   2905 O  OG   A SER   B 1 62  ? -25.842 -7.159  13.456 0.40 24.84  ? 307 SER   B OG   1 
ATOM   2906 O  OG   B SER   B 1 62  ? -26.450 -4.981  14.322 0.60 24.89  ? 307 SER   B OG   1 
ATOM   2907 H  H    . SER   B 1 62  ? -23.898 -6.423  11.870 1.00 18.69  ? 307 SER   B H    1 
ATOM   2908 H  HA   . SER   B 1 62  ? -26.226 -5.295  11.655 1.00 22.77  ? 307 SER   B HA   1 
ATOM   2909 H  HB2  A SER   B 1 62  ? -24.699 -5.675  14.010 0.40 26.54  ? 307 SER   B HB2  1 
ATOM   2910 H  HB2  B SER   B 1 62  ? -25.895 -6.672  13.461 0.60 26.69  ? 307 SER   B HB2  1 
ATOM   2911 H  HB3  A SER   B 1 62  ? -26.250 -5.330  14.006 0.40 26.54  ? 307 SER   B HB3  1 
ATOM   2912 H  HB3  B SER   B 1 62  ? -24.678 -5.787  13.974 0.60 26.69  ? 307 SER   B HB3  1 
ATOM   2913 H  HG   A SER   B 1 62  ? -25.914 -7.481  14.228 0.40 29.83  ? 307 SER   B HG   1 
ATOM   2914 H  HG   B SER   B 1 62  ? -27.214 -4.988  13.972 0.60 29.90  ? 307 SER   B HG   1 
ATOM   2915 N  N    . SER   B 1 63  ? -23.886 -3.281  12.536 1.00 17.38  ? 308 SER   B N    1 
ATOM   2916 C  CA   . SER   B 1 63  ? -23.540 -1.877  12.674 1.00 20.42  ? 308 SER   B CA   1 
ATOM   2917 C  C    . SER   B 1 63  ? -23.722 -1.129  11.355 1.00 21.52  ? 308 SER   B C    1 
ATOM   2918 O  O    . SER   B 1 63  ? -24.370 -0.084  11.314 1.00 22.43  ? 308 SER   B O    1 
ATOM   2919 C  CB   . SER   B 1 63  ? -22.091 -1.754  13.178 1.00 27.00  ? 308 SER   B CB   1 
ATOM   2920 O  OG   . SER   B 1 63  ? -21.723 -0.402  13.271 1.00 32.94  ? 308 SER   B OG   1 
ATOM   2921 H  H    . SER   B 1 63  ? -23.223 -3.817  12.652 1.00 20.89  ? 308 SER   B H    1 
ATOM   2922 H  HA   . SER   B 1 63  ? -24.128 -1.466  13.327 1.00 24.53  ? 308 SER   B HA   1 
ATOM   2923 H  HB2  . SER   B 1 63  ? -22.023 -2.164  14.054 1.00 32.43  ? 308 SER   B HB2  1 
ATOM   2924 H  HB3  . SER   B 1 63  ? -21.498 -2.203  12.555 1.00 32.43  ? 308 SER   B HB3  1 
ATOM   2925 H  HG   . SER   B 1 63  ? -20.915 -0.338  13.491 1.00 39.56  ? 308 SER   B HG   1 
ATOM   2926 N  N    . ARG   B 1 64  ? -23.142 -1.645  10.278 1.00 22.17  ? 309 ARG   B N    1 
ATOM   2927 C  CA   . ARG   B 1 64  ? -23.184 -0.963  8.998  1.00 26.02  ? 309 ARG   B CA   1 
ATOM   2928 C  C    . ARG   B 1 64  ? -24.606 -0.858  8.458  1.00 22.59  ? 309 ARG   B C    1 
ATOM   2929 O  O    . ARG   B 1 64  ? -24.966 0.153   7.834  1.00 22.09  ? 309 ARG   B O    1 
ATOM   2930 C  CB   . ARG   B 1 64  ? -22.317 -1.691  7.962  1.00 32.82  ? 309 ARG   B CB   1 
ATOM   2931 C  CG   . ARG   B 1 64  ? -20.810 -1.520  8.095  1.00 42.15  ? 309 ARG   B CG   1 
ATOM   2932 C  CD   . ARG   B 1 64  ? -20.076 -2.333  6.984  1.00 52.09  ? 309 ARG   B CD   1 
ATOM   2933 N  NE   . ARG   B 1 64  ? -20.561 -3.716  6.892  1.00 55.89  ? 309 ARG   B NE   1 
ATOM   2934 C  CZ   . ARG   B 1 64  ? -19.799 -4.817  7.027  1.00 50.08  ? 309 ARG   B CZ   1 
ATOM   2935 N  NH1  . ARG   B 1 64  ? -18.486 -4.710  7.228  1.00 54.29  ? 309 ARG   B NH1  1 
ATOM   2936 N  NH2  . ARG   B 1 64  ? -20.365 -6.025  6.951  1.00 37.68  ? 309 ARG   B NH2  1 
ATOM   2937 H  H    . ARG   B 1 64  ? -22.717 -2.392  10.262 1.00 26.64  ? 309 ARG   B H    1 
ATOM   2938 H  HA   . ARG   B 1 64  ? -22.827 -0.072  9.136  1.00 31.25  ? 309 ARG   B HA   1 
ATOM   2939 H  HB2  . ARG   B 1 64  ? -22.503 -2.640  8.028  1.00 39.41  ? 309 ARG   B HB2  1 
ATOM   2940 H  HB3  . ARG   B 1 64  ? -22.564 -1.365  7.082  1.00 39.41  ? 309 ARG   B HB3  1 
ATOM   2941 H  HG2  . ARG   B 1 64  ? -20.578 -0.583  7.999  1.00 50.61  ? 309 ARG   B HG2  1 
ATOM   2942 H  HG3  . ARG   B 1 64  ? -20.520 -1.847  8.961  1.00 50.61  ? 309 ARG   B HG3  1 
ATOM   2943 H  HD2  . ARG   B 1 64  ? -20.223 -1.904  6.126  1.00 62.54  ? 309 ARG   B HD2  1 
ATOM   2944 H  HD3  . ARG   B 1 64  ? -19.127 -2.359  7.183  1.00 62.54  ? 309 ARG   B HD3  1 
ATOM   2945 H  HE   . ARG   B 1 64  ? -21.400 -3.832  6.740  1.00 67.09  ? 309 ARG   B HE   1 
ATOM   2946 H  HH11 . ARG   B 1 64  ? -18.120 -3.933  7.273  1.00 65.18  ? 309 ARG   B HH11 1 
ATOM   2947 H  HH12 . ARG   B 1 64  ? -18.005 -5.418  7.314  1.00 65.18  ? 309 ARG   B HH12 1 
ATOM   2948 H  HH21 . ARG   B 1 64  ? -21.211 -6.096  6.816  1.00 45.25  ? 309 ARG   B HH21 1 
ATOM   2949 H  HH22 . ARG   B 1 64  ? -19.883 -6.732  7.036  1.00 45.25  ? 309 ARG   B HH22 1 
ATOM   2950 N  N    . SER   B 1 65  ? -25.410 -1.902  8.640  1.00 21.15  ? 310 SER   B N    1 
ATOM   2951 C  CA   . SER   B 1 65  ? -26.787 -1.903  8.139  1.00 19.96  ? 310 SER   B CA   1 
ATOM   2952 C  C    . SER   B 1 65  ? -27.746 -1.127  9.052  1.00 17.35  ? 310 SER   B C    1 
ATOM   2953 O  O    . SER   B 1 65  ? -28.888 -0.890  8.660  1.00 15.94  ? 310 SER   B O    1 
ATOM   2954 C  CB   . SER   B 1 65  ? -27.259 -3.348  7.970  1.00 21.67  ? 310 SER   B CB   1 
ATOM   2955 O  OG   . SER   B 1 65  ? -27.475 -3.957  9.223  1.00 22.57  ? 310 SER   B OG   1 
ATOM   2956 H  H    . SER   B 1 65  ? -25.184 -2.624  9.050  1.00 25.41  ? 310 SER   B H    1 
ATOM   2957 H  HA   . SER   B 1 65  ? -26.818 -1.480  7.267  1.00 23.98  ? 310 SER   B HA   1 
ATOM   2958 H  HB2  . SER   B 1 65  ? -28.090 -3.352  7.470  1.00 26.04  ? 310 SER   B HB2  1 
ATOM   2959 H  HB3  . SER   B 1 65  ? -26.580 -3.847  7.490  1.00 26.04  ? 310 SER   B HB3  1 
ATOM   2960 H  HG   . SER   B 1 65  ? -26.784 -3.895  9.697  1.00 27.11  ? 310 SER   B HG   1 
ATOM   2961 N  N    . ASN   B 1 66  ? -27.311 -0.746  10.246 1.00 19.54  ? 311 ASN   B N    1 
ATOM   2962 C  CA   . ASN   B 1 66  ? -28.152 -0.039  11.214 1.00 20.49  ? 311 ASN   B CA   1 
ATOM   2963 C  C    . ASN   B 1 66  ? -29.393 -0.871  11.520 1.00 19.65  ? 311 ASN   B C    1 
ATOM   2964 O  O    . ASN   B 1 66  ? -30.523 -0.378  11.497 1.00 19.67  ? 311 ASN   B O    1 
ATOM   2965 C  CB   . ASN   B 1 66  ? -28.542 1.358   10.716 1.00 21.42  ? 311 ASN   B CB   1 
ATOM   2966 C  CG   . ASN   B 1 66  ? -28.963 2.284   11.857 1.00 21.67  ? 311 ASN   B CG   1 
ATOM   2967 O  OD1  . ASN   B 1 66  ? -29.093 1.863   13.004 1.00 22.63  ? 311 ASN   B OD1  1 
ATOM   2968 N  ND2  . ASN   B 1 66  ? -29.193 3.551   11.527 1.00 19.69  ? 311 ASN   B ND2  1 
ATOM   2969 H  H    . ASN   B 1 66  ? -26.512 -0.888  10.530 1.00 23.48  ? 311 ASN   B H    1 
ATOM   2970 H  HA   . ASN   B 1 66  ? -27.646 0.084   12.033 1.00 24.62  ? 311 ASN   B HA   1 
ATOM   2971 H  HB2  . ASN   B 1 66  ? -27.781 1.760   10.267 1.00 25.73  ? 311 ASN   B HB2  1 
ATOM   2972 H  HB3  . ASN   B 1 66  ? -29.287 1.280   10.101 1.00 25.73  ? 311 ASN   B HB3  1 
ATOM   2973 H  HD21 . ASN   B 1 66  ? -29.433 4.116   12.130 1.00 23.66  ? 311 ASN   B HD21 1 
ATOM   2974 H  HD22 . ASN   B 1 66  ? -29.102 3.806   10.711 1.00 23.66  ? 311 ASN   B HD22 1 
ATOM   2975 N  N    . ARG   B 1 67  ? -29.175 -2.171  11.760 1.00 17.25  ? 312 ARG   B N    1 
ATOM   2976 C  CA   . ARG   B 1 67  ? -30.269 -3.079  12.065 1.00 16.46  ? 312 ARG   B CA   1 
ATOM   2977 C  C    . ARG   B 1 67  ? -30.055 -3.683  13.439 1.00 18.01  ? 312 ARG   B C    1 
ATOM   2978 O  O    . ARG   B 1 67  ? -29.012 -4.299  13.677 1.00 21.63  ? 312 ARG   B O    1 
ATOM   2979 C  CB   . ARG   B 1 67  ? -30.367 -4.199  11.023 1.00 18.39  ? 312 ARG   B CB   1 
ATOM   2980 C  CG   . ARG   B 1 67  ? -30.973 -3.733  9.706  1.00 21.29  ? 312 ARG   B CG   1 
ATOM   2981 C  CD   . ARG   B 1 67  ? -30.952 -4.862  8.702  1.00 22.73  ? 312 ARG   B CD   1 
ATOM   2982 N  NE   . ARG   B 1 67  ? -31.673 -4.501  7.487  1.00 26.95  ? 312 ARG   B NE   1 
ATOM   2983 C  CZ   . ARG   B 1 67  ? -31.947 -5.359  6.507  1.00 35.70  ? 312 ARG   B CZ   1 
ATOM   2984 N  NH1  . ARG   B 1 67  ? -31.546 -6.622  6.602  1.00 39.12  ? 312 ARG   B NH1  1 
ATOM   2985 N  NH2  . ARG   B 1 67  ? -32.610 -4.945  5.429  1.00 39.68  ? 312 ARG   B NH2  1 
ATOM   2986 H  H    . ARG   B 1 67  ? -28.398 -2.540  11.749 1.00 20.73  ? 312 ARG   B H    1 
ATOM   2987 H  HA   . ARG   B 1 67  ? -31.098 -2.574  12.071 1.00 19.78  ? 312 ARG   B HA   1 
ATOM   2988 H  HB2  . ARG   B 1 67  ? -29.477 -4.538  10.840 1.00 22.09  ? 312 ARG   B HB2  1 
ATOM   2989 H  HB3  . ARG   B 1 67  ? -30.926 -4.910  11.375 1.00 22.09  ? 312 ARG   B HB3  1 
ATOM   2990 H  HG2  . ARG   B 1 67  ? -31.893 -3.459  9.848  1.00 25.57  ? 312 ARG   B HG2  1 
ATOM   2991 H  HG3  . ARG   B 1 67  ? -30.457 -2.992  9.353  1.00 25.57  ? 312 ARG   B HG3  1 
ATOM   2992 H  HD2  . ARG   B 1 67  ? -30.034 -5.065  8.464  1.00 27.31  ? 312 ARG   B HD2  1 
ATOM   2993 H  HD3  . ARG   B 1 67  ? -31.375 -5.645  9.088  1.00 27.31  ? 312 ARG   B HD3  1 
ATOM   2994 H  HE   . ARG   B 1 67  ? -31.937 -3.687  7.399  1.00 32.37  ? 312 ARG   B HE   1 
ATOM   2995 H  HH11 . ARG   B 1 67  ? -31.111 -6.883  7.296  1.00 46.97  ? 312 ARG   B HH11 1 
ATOM   2996 H  HH12 . ARG   B 1 67  ? -31.722 -7.178  5.970  1.00 46.97  ? 312 ARG   B HH12 1 
ATOM   2997 H  HH21 . ARG   B 1 67  ? -32.861 -4.124  5.367  1.00 47.64  ? 312 ARG   B HH21 1 
ATOM   2998 H  HH22 . ARG   B 1 67  ? -32.788 -5.497  4.795  1.00 47.64  ? 312 ARG   B HH22 1 
ATOM   2999 N  N    . PHE   B 1 68  ? -31.036 -3.506  14.323 1.00 17.62  ? 313 PHE   B N    1 
ATOM   3000 C  CA   . PHE   B 1 68  ? -31.057 -4.220  15.601 1.00 18.30  ? 313 PHE   B CA   1 
ATOM   3001 C  C    . PHE   B 1 68  ? -31.458 -5.672  15.339 1.00 15.63  ? 313 PHE   B C    1 
ATOM   3002 O  O    . PHE   B 1 68  ? -32.511 -5.925  14.732 1.00 15.27  ? 313 PHE   B O    1 
ATOM   3003 C  CB   . PHE   B 1 68  ? -32.032 -3.556  16.563 1.00 22.12  ? 313 PHE   B CB   1 
ATOM   3004 C  CG   . PHE   B 1 68  ? -31.701 -2.112  16.860 1.00 26.82  ? 313 PHE   B CG   1 
ATOM   3005 C  CD1  . PHE   B 1 68  ? -30.547 -1.784  17.550 1.00 28.71  ? 313 PHE   B CD1  1 
ATOM   3006 C  CD2  . PHE   B 1 68  ? -32.549 -1.102  16.467 1.00 28.85  ? 313 PHE   B CD2  1 
ATOM   3007 C  CE1  . PHE   B 1 68  ? -30.231 -0.453  17.831 1.00 29.09  ? 313 PHE   B CE1  1 
ATOM   3008 C  CE2  . PHE   B 1 68  ? -32.241 0.233   16.743 1.00 29.47  ? 313 PHE   B CE2  1 
ATOM   3009 C  CZ   . PHE   B 1 68  ? -31.074 0.547   17.424 1.00 28.76  ? 313 PHE   B CZ   1 
ATOM   3010 H  H    . PHE   B 1 68  ? -31.704 -2.977  14.208 1.00 21.17  ? 313 PHE   B H    1 
ATOM   3011 H  HA   . PHE   B 1 68  ? -30.179 -4.197  16.012 1.00 21.98  ? 313 PHE   B HA   1 
ATOM   3012 H  HB2  . PHE   B 1 68  ? -32.921 -3.583  16.175 1.00 26.57  ? 313 PHE   B HB2  1 
ATOM   3013 H  HB3  . PHE   B 1 68  ? -32.022 -4.041  17.403 1.00 26.57  ? 313 PHE   B HB3  1 
ATOM   3014 H  HD1  . PHE   B 1 68  ? -29.974 -2.461  17.831 1.00 34.49  ? 313 PHE   B HD1  1 
ATOM   3015 H  HD2  . PHE   B 1 68  ? -33.334 -1.310  16.015 1.00 34.65  ? 313 PHE   B HD2  1 
ATOM   3016 H  HE1  . PHE   B 1 68  ? -29.450 -0.247  18.293 1.00 34.94  ? 313 PHE   B HE1  1 
ATOM   3017 H  HE2  . PHE   B 1 68  ? -32.817 0.910   16.469 1.00 35.39  ? 313 PHE   B HE2  1 
ATOM   3018 H  HZ   . PHE   B 1 68  ? -30.864 1.435   17.604 1.00 34.54  ? 313 PHE   B HZ   1 
ATOM   3019 N  N    . THR   B 1 69  ? -30.619 -6.613  15.777 1.00 15.14  ? 314 THR   B N    1 
ATOM   3020 C  CA   . THR   B 1 69  ? -30.656 -7.984  15.282 1.00 15.03  ? 314 THR   B CA   1 
ATOM   3021 C  C    . THR   B 1 69  ? -30.477 -8.982  16.410 1.00 14.88  ? 314 THR   B C    1 
ATOM   3022 O  O    . THR   B 1 69  ? -29.497 -8.908  17.144 1.00 14.85  ? 314 THR   B O    1 
ATOM   3023 C  CB   . THR   B 1 69  ? -29.567 -8.176  14.224 1.00 15.06  ? 314 THR   B CB   1 
ATOM   3024 O  OG1  . THR   B 1 69  ? -29.748 -7.218  13.137 1.00 15.21  ? 314 THR   B OG1  1 
ATOM   3025 C  CG2  . THR   B 1 69  ? -29.581 -9.585  13.638 1.00 15.67  ? 314 THR   B CG2  1 
ATOM   3026 H  H    . THR   B 1 69  ? -30.011 -6.476  16.371 1.00 18.02  ? 314 THR   B H    1 
ATOM   3027 H  HA   . THR   B 1 69  ? -31.529 -8.163  14.899 1.00 17.89  ? 314 THR   B HA   1 
ATOM   3028 H  HB   . THR   B 1 69  ? -28.707 -8.038  14.652 1.00 17.93  ? 314 THR   B HB   1 
ATOM   3029 H  HG1  . THR   B 1 69  ? -29.611 -6.438  13.416 1.00 18.11  ? 314 THR   B HG1  1 
ATOM   3030 H  HG21 . THR   B 1 69  ? -28.979 -9.635  12.879 1.00 18.83  ? 314 THR   B HG21 1 
ATOM   3031 H  HG22 . THR   B 1 69  ? -29.297 -10.226 14.307 1.00 18.83  ? 314 THR   B HG22 1 
ATOM   3032 H  HG23 . THR   B 1 69  ? -30.478 -9.813  13.344 1.00 18.83  ? 314 THR   B HG23 1 
ATOM   3033 N  N    . TRP   B 1 70  ? -31.403 -9.950  16.499 1.00 14.86  ? 315 TRP   B N    1 
ATOM   3034 C  CA   . TRP   B 1 70  ? -31.295 -10.994 17.516 1.00 15.45  ? 315 TRP   B CA   1 
ATOM   3035 C  C    . TRP   B 1 70  ? -30.126 -11.935 17.251 1.00 15.74  ? 315 TRP   B C    1 
ATOM   3036 O  O    . TRP   B 1 70  ? -29.841 -12.299 16.115 1.00 16.27  ? 315 TRP   B O    1 
ATOM   3037 C  CB   . TRP   B 1 70  ? -32.554 -11.854 17.575 1.00 15.76  ? 315 TRP   B CB   1 
ATOM   3038 C  CG   . TRP   B 1 70  ? -33.816 -11.232 18.061 1.00 16.70  ? 315 TRP   B CG   1 
ATOM   3039 C  CD1  . TRP   B 1 70  ? -35.026 -11.212 17.401 1.00 18.29  ? 315 TRP   B CD1  1 
ATOM   3040 C  CD2  . TRP   B 1 70  ? -34.050 -10.615 19.331 1.00 16.60  ? 315 TRP   B CD2  1 
ATOM   3041 N  NE1  . TRP   B 1 70  ? -35.973 -10.608 18.179 1.00 17.83  ? 315 TRP   B NE1  1 
ATOM   3042 C  CE2  . TRP   B 1 70  ? -35.395 -10.234 19.366 1.00 17.06  ? 315 TRP   B CE2  1 
ATOM   3043 C  CE3  . TRP   B 1 70  ? -33.250 -10.341 20.435 1.00 16.92  ? 315 TRP   B CE3  1 
ATOM   3044 C  CZ2  . TRP   B 1 70  ? -35.951 -9.592  20.463 1.00 18.05  ? 315 TRP   B CZ2  1 
ATOM   3045 C  CZ3  . TRP   B 1 70  ? -33.797 -9.693  21.506 1.00 17.66  ? 315 TRP   B CZ3  1 
ATOM   3046 C  CH2  . TRP   B 1 70  ? -35.135 -9.339  21.525 1.00 17.91  ? 315 TRP   B CH2  1 
ATOM   3047 H  H    . TRP   B 1 70  ? -32.092 -10.020 15.988 1.00 17.86  ? 315 TRP   B H    1 
ATOM   3048 H  HA   . TRP   B 1 70  ? -31.163 -10.542 18.364 1.00 18.57  ? 315 TRP   B HA   1 
ATOM   3049 H  HB2  . TRP   B 1 70  ? -32.733 -12.175 16.677 1.00 18.94  ? 315 TRP   B HB2  1 
ATOM   3050 H  HB3  . TRP   B 1 70  ? -32.370 -12.602 18.164 1.00 18.94  ? 315 TRP   B HB3  1 
ATOM   3051 H  HD1  . TRP   B 1 70  ? -35.176 -11.558 16.550 1.00 21.98  ? 315 TRP   B HD1  1 
ATOM   3052 H  HE1  . TRP   B 1 70  ? -36.795 -10.483 17.961 1.00 21.42  ? 315 TRP   B HE1  1 
ATOM   3053 H  HE3  . TRP   B 1 70  ? -32.355 -10.594 20.444 1.00 20.33  ? 315 TRP   B HE3  1 
ATOM   3054 H  HZ2  . TRP   B 1 70  ? -36.847 -9.344  20.474 1.00 21.69  ? 315 TRP   B HZ2  1 
ATOM   3055 H  HZ3  . TRP   B 1 70  ? -33.260 -9.486  22.237 1.00 21.22  ? 315 TRP   B HZ3  1 
ATOM   3056 H  HH2  . TRP   B 1 70  ? -35.484 -8.919  22.278 1.00 21.53  ? 315 TRP   B HH2  1 
ATOM   3057 N  N    . MET   B 1 71  ? -29.511 -12.418 18.333 1.00 14.47  ? 316 MET   B N    1 
ATOM   3058 C  CA   . MET   B 1 71  ? -28.615 -13.570 18.305 1.00 14.37  ? 316 MET   B CA   1 
ATOM   3059 C  C    . MET   B 1 71  ? -29.173 -14.673 19.210 1.00 14.23  ? 316 MET   B C    1 
ATOM   3060 O  O    . MET   B 1 71  ? -30.121 -14.468 19.970 1.00 14.22  ? 316 MET   B O    1 
ATOM   3061 C  CB   . MET   B 1 71  ? -27.194 -13.191 18.778 1.00 14.38  ? 316 MET   B CB   1 
ATOM   3062 C  CG   . MET   B 1 71  ? -27.113 -12.962 20.277 1.00 16.00  ? 316 MET   B CG   1 
ATOM   3063 S  SD   . MET   B 1 71  ? -25.477 -12.333 20.742 1.00 17.94  ? 316 MET   B SD   1 
ATOM   3064 C  CE   . MET   B 1 71  ? -25.646 -10.657 20.192 1.00 20.52  ? 316 MET   B CE   1 
ATOM   3065 H  H    . MET   B 1 71  ? -29.604 -12.081 19.118 1.00 17.30  ? 316 MET   B H    1 
ATOM   3066 H  HA   . MET   B 1 71  ? -28.554 -13.892 17.391 1.00 17.10  ? 316 MET   B HA   1 
ATOM   3067 H  HB2  . MET   B 1 71  ? -26.583 -13.910 18.551 1.00 17.12  ? 316 MET   B HB2  1 
ATOM   3068 H  HB3  . MET   B 1 71  ? -26.921 -12.372 18.335 1.00 17.12  ? 316 MET   B HB3  1 
ATOM   3069 H  HG2  . MET   B 1 71  ? -27.781 -12.311 20.541 1.00 19.22  ? 316 MET   B HG2  1 
ATOM   3070 H  HG3  . MET   B 1 71  ? -27.265 -13.800 20.741 1.00 19.22  ? 316 MET   B HG3  1 
ATOM   3071 H  HE1  . MET   B 1 71  ? -24.891 -10.141 20.515 1.00 24.65  ? 316 MET   B HE1  1 
ATOM   3072 H  HE2  . MET   B 1 71  ? -25.665 -10.644 19.222 1.00 24.65  ? 316 MET   B HE2  1 
ATOM   3073 H  HE3  . MET   B 1 71  ? -26.472 -10.291 20.544 1.00 24.65  ? 316 MET   B HE3  1 
ATOM   3074 N  N    . GLY   B 1 72  ? -28.567 -15.852 19.134 1.00 14.24  ? 317 GLY   B N    1 
ATOM   3075 C  CA   . GLY   B 1 72  ? -29.083 -16.994 19.874 1.00 15.16  ? 317 GLY   B CA   1 
ATOM   3076 C  C    . GLY   B 1 72  ? -28.554 -17.066 21.308 1.00 15.54  ? 317 GLY   B C    1 
ATOM   3077 O  O    . GLY   B 1 72  ? -27.917 -18.075 21.679 1.00 14.51  ? 317 GLY   B O    1 
ATOM   3078 H  H    . GLY   B 1 72  ? -27.863 -16.014 18.667 1.00 17.12  ? 317 GLY   B H    1 
ATOM   3079 H  HA2  . GLY   B 1 72  ? -30.050 -16.939 19.911 1.00 18.22  ? 317 GLY   B HA2  1 
ATOM   3080 H  HA3  . GLY   B 1 72  ? -28.830 -17.811 19.416 1.00 18.22  ? 317 GLY   B HA3  1 
ATOM   3081 N  N    . LEU   B 1 73  ? -28.875 -16.056 22.118 1.00 16.35  ? 318 LEU   B N    1 
ATOM   3082 C  CA   . LEU   B 1 73  ? -28.364 -15.953 23.490 1.00 15.87  ? 318 LEU   B CA   1 
ATOM   3083 C  C    . LEU   B 1 73  ? -29.432 -15.356 24.412 1.00 15.26  ? 318 LEU   B C    1 
ATOM   3084 O  O    . LEU   B 1 73  ? -30.082 -14.379 24.055 1.00 15.05  ? 318 LEU   B O    1 
ATOM   3085 C  CB   . LEU   B 1 73  ? -27.119 -15.085 23.511 1.00 17.57  ? 318 LEU   B CB   1 
ATOM   3086 C  CG   . LEU   B 1 73  ? -26.408 -14.871 24.857 1.00 18.78  ? 318 LEU   B CG   1 
ATOM   3087 C  CD1  . LEU   B 1 73  ? -25.701 -16.131 25.304 1.00 17.26  ? 318 LEU   B CD1  1 
ATOM   3088 C  CD2  . LEU   B 1 73  ? -25.439 -13.708 24.734 1.00 21.41  ? 318 LEU   B CD2  1 
ATOM   3089 H  H    . LEU   B 1 73  ? -29.395 -15.409 21.894 1.00 19.65  ? 318 LEU   B H    1 
ATOM   3090 H  HA   . LEU   B 1 73  ? -28.154 -16.836 23.833 1.00 19.07  ? 318 LEU   B HA   1 
ATOM   3091 H  HB2  . LEU   B 1 73  ? -26.469 -15.489 22.914 1.00 21.12  ? 318 LEU   B HB2  1 
ATOM   3092 H  HB3  . LEU   B 1 73  ? -27.367 -14.206 23.185 1.00 21.12  ? 318 LEU   B HB3  1 
ATOM   3093 H  HG   . LEU   B 1 73  ? -27.061 -14.658 25.542 1.00 22.56  ? 318 LEU   B HG   1 
ATOM   3094 H  HD11 . LEU   B 1 73  ? -25.469 -16.047 26.242 1.00 20.74  ? 318 LEU   B HD11 1 
ATOM   3095 H  HD12 . LEU   B 1 73  ? -26.293 -16.888 25.176 1.00 20.74  ? 318 LEU   B HD12 1 
ATOM   3096 H  HD13 . LEU   B 1 73  ? -24.897 -16.247 24.773 1.00 20.74  ? 318 LEU   B HD13 1 
ATOM   3097 H  HD21 . LEU   B 1 73  ? -24.991 -13.579 25.585 1.00 25.72  ? 318 LEU   B HD21 1 
ATOM   3098 H  HD22 . LEU   B 1 73  ? -24.787 -13.912 24.046 1.00 25.72  ? 318 LEU   B HD22 1 
ATOM   3099 H  HD23 . LEU   B 1 73  ? -25.933 -12.909 24.496 1.00 25.72  ? 318 LEU   B HD23 1 
ATOM   3100 N  N    . SER   B 1 74  ? -29.624 -15.951 25.593 1.00 14.05  ? 319 SER   B N    1 
ATOM   3101 C  CA   . SER   B 1 74  ? -30.632 -15.471 26.517 1.00 18.02  ? 319 SER   B CA   1 
ATOM   3102 C  C    . SER   B 1 74  ? -30.251 -15.800 27.954 1.00 19.16  ? 319 SER   B C    1 
ATOM   3103 O  O    . SER   B 1 74  ? -29.425 -16.690 28.215 1.00 18.87  ? 319 SER   B O    1 
ATOM   3104 C  CB   . SER   B 1 74  ? -31.995 -16.105 26.218 1.00 20.82  ? 319 SER   B CB   1 
ATOM   3105 O  OG   . SER   B 1 74  ? -32.057 -17.427 26.715 1.00 23.29  ? 319 SER   B OG   1 
ATOM   3106 H  H    . SER   B 1 74  ? -29.181 -16.632 25.875 1.00 16.89  ? 319 SER   B H    1 
ATOM   3107 H  HA   . SER   B 1 74  ? -30.679 -14.506 26.430 1.00 21.65  ? 319 SER   B HA   1 
ATOM   3108 H  HB2  . SER   B 1 74  ? -32.689 -15.577 26.643 1.00 25.01  ? 319 SER   B HB2  1 
ATOM   3109 H  HB3  . SER   B 1 74  ? -32.132 -16.123 25.258 1.00 25.01  ? 319 SER   B HB3  1 
ATOM   3110 H  HG   . SER   B 1 74  ? -31.453 -17.894 26.365 1.00 27.97  ? 319 SER   B HG   1 
ATOM   3111 N  N    . ASP   B 1 75  ? -30.895 -15.084 28.904 1.00 21.76  ? 320 ASP   B N    1 
ATOM   3112 C  CA   . ASP   B 1 75  ? -30.869 -15.497 30.305 1.00 21.83  ? 320 ASP   B CA   1 
ATOM   3113 C  C    . ASP   B 1 75  ? -32.296 -15.831 30.763 1.00 24.76  ? 320 ASP   B C    1 
ATOM   3114 O  O    . ASP   B 1 75  ? -32.687 -15.576 31.899 1.00 27.89  ? 320 ASP   B O    1 
ATOM   3115 C  CB   . ASP   B 1 75  ? -30.194 -14.447 31.188 1.00 20.38  ? 320 ASP   B CB   1 
ATOM   3116 C  CG   . ASP   B 1 75  ? -31.022 -13.169 31.398 1.00 21.15  ? 320 ASP   B CG   1 
ATOM   3117 O  OD1  . ASP   B 1 75  ? -32.002 -12.903 30.668 1.00 22.42  ? 320 ASP   B OD1  1 
ATOM   3118 O  OD2  . ASP   B 1 75  ? -30.681 -12.397 32.326 1.00 21.76  ? 320 ASP   B OD2  1 
ATOM   3119 H  H    . ASP   B 1 75  ? -31.344 -14.367 28.749 1.00 26.14  ? 320 ASP   B H    1 
ATOM   3120 H  HA   . ASP   B 1 75  ? -30.332 -16.299 30.403 1.00 26.22  ? 320 ASP   B HA   1 
ATOM   3121 H  HB2  . ASP   B 1 75  ? -30.029 -14.836 32.061 1.00 24.48  ? 320 ASP   B HB2  1 
ATOM   3122 H  HB3  . ASP   B 1 75  ? -29.355 -14.188 30.776 1.00 24.48  ? 320 ASP   B HB3  1 
ATOM   3123 N  N    . LEU   B 1 76  ? -33.073 -16.439 29.862 1.00 26.47  ? 321 LEU   B N    1 
ATOM   3124 C  CA   . LEU   B 1 76  ? -34.453 -16.788 30.189 1.00 26.52  ? 321 LEU   B CA   1 
ATOM   3125 C  C    . LEU   B 1 76  ? -34.544 -17.811 31.316 1.00 29.11  ? 321 LEU   B C    1 
ATOM   3126 O  O    . LEU   B 1 76  ? -35.396 -17.686 32.189 1.00 30.20  ? 321 LEU   B O    1 
ATOM   3127 C  CB   . LEU   B 1 76  ? -35.162 -17.339 28.956 1.00 25.91  ? 321 LEU   B CB   1 
ATOM   3128 C  CG   . LEU   B 1 76  ? -35.636 -16.290 27.966 1.00 24.18  ? 321 LEU   B CG   1 
ATOM   3129 C  CD1  . LEU   B 1 76  ? -35.847 -16.920 26.615 1.00 22.13  ? 321 LEU   B CD1  1 
ATOM   3130 C  CD2  . LEU   B 1 76  ? -36.904 -15.615 28.496 1.00 25.79  ? 321 LEU   B CD2  1 
ATOM   3131 H  H    . LEU   B 1 76  ? -32.829 -16.657 29.067 1.00 31.79  ? 321 LEU   B H    1 
ATOM   3132 H  HA   . LEU   B 1 76  ? -34.896 -15.976 30.481 1.00 31.85  ? 321 LEU   B HA   1 
ATOM   3133 H  HB2  . LEU   B 1 76  ? -34.549 -17.926 28.487 1.00 31.12  ? 321 LEU   B HB2  1 
ATOM   3134 H  HB3  . LEU   B 1 76  ? -35.941 -17.837 29.248 1.00 31.12  ? 321 LEU   B HB3  1 
ATOM   3135 H  HG   . LEU   B 1 76  ? -34.966 -15.597 27.856 1.00 29.05  ? 321 LEU   B HG   1 
ATOM   3136 H  HD11 . LEU   B 1 76  ? -36.210 -16.255 26.010 1.00 26.59  ? 321 LEU   B HD11 1 
ATOM   3137 H  HD12 . LEU   B 1 76  ? -34.996 -17.243 26.281 1.00 26.59  ? 321 LEU   B HD12 1 
ATOM   3138 H  HD13 . LEU   B 1 76  ? -36.469 -17.659 26.705 1.00 26.59  ? 321 LEU   B HD13 1 
ATOM   3139 H  HD21 . LEU   B 1 76  ? -37.226 -14.984 27.833 1.00 30.98  ? 321 LEU   B HD21 1 
ATOM   3140 H  HD22 . LEU   B 1 76  ? -37.577 -16.293 28.661 1.00 30.98  ? 321 LEU   B HD22 1 
ATOM   3141 H  HD23 . LEU   B 1 76  ? -36.693 -15.150 29.320 1.00 30.98  ? 321 LEU   B HD23 1 
ATOM   3142 N  N    . ASN   B 1 77  ? -33.715 -18.854 31.284 1.00 32.17  ? 322 ASN   B N    1 
ATOM   3143 C  CA   . ASN   B 1 77  ? -33.850 -19.930 32.270 1.00 39.49  ? 322 ASN   B CA   1 
ATOM   3144 C  C    . ASN   B 1 77  ? -33.399 -19.492 33.664 1.00 37.90  ? 322 ASN   B C    1 
ATOM   3145 O  O    . ASN   B 1 77  ? -34.002 -19.889 34.671 1.00 37.30  ? 322 ASN   B O    1 
ATOM   3146 C  CB   . ASN   B 1 77  ? -33.069 -21.174 31.835 1.00 47.75  ? 322 ASN   B CB   1 
ATOM   3147 C  CG   . ASN   B 1 77  ? -33.733 -21.906 30.670 1.00 55.68  ? 322 ASN   B CG   1 
ATOM   3148 O  OD1  . ASN   B 1 77  ? -34.926 -21.716 30.390 1.00 59.40  ? 322 ASN   B OD1  1 
ATOM   3149 N  ND2  . ASN   B 1 77  ? -32.974 -22.777 30.009 1.00 57.19  ? 322 ASN   B ND2  1 
ATOM   3150 H  H    . ASN   B 1 77  ? -33.079 -18.965 30.716 1.00 38.63  ? 322 ASN   B H    1 
ATOM   3151 H  HA   . ASN   B 1 77  ? -34.790 -20.164 32.315 1.00 47.41  ? 322 ASN   B HA   1 
ATOM   3152 H  HB2  . ASN   B 1 77  ? -32.179 -20.907 31.555 1.00 57.33  ? 322 ASN   B HB2  1 
ATOM   3153 H  HB3  . ASN   B 1 77  ? -33.011 -21.789 32.583 1.00 57.33  ? 322 ASN   B HB3  1 
ATOM   3154 H  HD21 . ASN   B 1 77  ? -32.157 -22.902 30.245 1.00 68.66  ? 322 ASN   B HD21 1 
ATOM   3155 H  HD22 . ASN   B 1 77  ? -33.301 -23.215 29.345 1.00 68.66  ? 322 ASN   B HD22 1 
ATOM   3156 N  N    . GLN   B 1 78  ? -32.324 -18.711 33.753 1.00 35.34  ? 323 GLN   B N    1 
ATOM   3157 C  CA   . GLN   B 1 78  ? -31.838 -18.207 35.041 1.00 34.06  ? 323 GLN   B CA   1 
ATOM   3158 C  C    . GLN   B 1 78  ? -31.331 -16.782 34.871 1.00 29.20  ? 323 GLN   B C    1 
ATOM   3159 O  O    . GLN   B 1 78  ? -30.271 -16.566 34.278 1.00 25.95  ? 323 GLN   B O    1 
ATOM   3160 C  CB   . GLN   B 1 78  ? -30.734 -19.098 35.610 1.00 39.82  ? 323 GLN   B CB   1 
ATOM   3161 C  CG   . GLN   B 1 78  ? -30.472 -18.874 37.087 1.00 47.05  ? 323 GLN   B CG   1 
ATOM   3162 C  CD   . GLN   B 1 78  ? -29.547 -19.917 37.679 1.00 55.79  ? 323 GLN   B CD   1 
ATOM   3163 O  OE1  . GLN   B 1 78  ? -29.951 -20.702 38.539 1.00 59.25  ? 323 GLN   B OE1  1 
ATOM   3164 N  NE2  . GLN   B 1 78  ? -28.301 -19.940 37.217 1.00 58.95  ? 323 GLN   B NE2  1 
ATOM   3165 H  H    . GLN   B 1 78  ? -31.856 -18.456 33.077 1.00 42.44  ? 323 GLN   B H    1 
ATOM   3166 H  HA   . GLN   B 1 78  ? -32.585 -18.188 35.659 1.00 40.90  ? 323 GLN   B HA   1 
ATOM   3167 H  HB2  . GLN   B 1 78  ? -30.990 -20.026 35.492 1.00 47.81  ? 323 GLN   B HB2  1 
ATOM   3168 H  HB3  . GLN   B 1 78  ? -29.909 -18.917 35.132 1.00 47.81  ? 323 GLN   B HB3  1 
ATOM   3169 H  HG2  . GLN   B 1 78  ? -30.059 -18.004 37.208 1.00 56.49  ? 323 GLN   B HG2  1 
ATOM   3170 H  HG3  . GLN   B 1 78  ? -31.313 -18.912 37.568 1.00 56.49  ? 323 GLN   B HG3  1 
ATOM   3171 H  HE21 . GLN   B 1 78  ? -28.057 -19.380 36.612 1.00 70.77  ? 323 GLN   B HE21 1 
ATOM   3172 H  HE22 . GLN   B 1 78  ? -27.739 -20.515 37.523 1.00 70.77  ? 323 GLN   B HE22 1 
ATOM   3173 N  N    . GLU   B 1 79  ? -32.058 -15.824 35.438 1.00 28.08  ? 324 GLU   B N    1 
ATOM   3174 C  CA   . GLU   B 1 79  ? -31.708 -14.407 35.297 1.00 27.67  ? 324 GLU   B CA   1 
ATOM   3175 C  C    . GLU   B 1 79  ? -30.260 -14.160 35.702 1.00 27.27  ? 324 GLU   B C    1 
ATOM   3176 O  O    . GLU   B 1 79  ? -29.822 -14.565 36.782 1.00 28.93  ? 324 GLU   B O    1 
ATOM   3177 C  CB   . GLU   B 1 79  ? -32.654 -13.561 36.151 1.00 27.32  ? 324 GLU   B CB   1 
ATOM   3178 C  CG   . GLU   B 1 79  ? -32.349 -12.045 36.140 1.00 26.37  ? 324 GLU   B CG   1 
ATOM   3179 C  CD   . GLU   B 1 79  ? -32.491 -11.428 34.754 1.00 23.64  ? 324 GLU   B CD   1 
ATOM   3180 O  OE1  . GLU   B 1 79  ? -33.352 -11.891 34.002 1.00 22.06  ? 324 GLU   B OE1  1 
ATOM   3181 O  OE2  . GLU   B 1 79  ? -31.753 -10.444 34.451 1.00 23.31  ? 324 GLU   B OE2  1 
ATOM   3182 H  H    . GLU   B 1 79  ? -32.761 -15.963 35.912 1.00 33.72  ? 324 GLU   B H    1 
ATOM   3183 H  HA   . GLU   B 1 79  ? -31.807 -14.140 34.370 1.00 33.24  ? 324 GLU   B HA   1 
ATOM   3184 H  HB2  . GLU   B 1 79  ? -33.558 -13.679 35.820 1.00 32.81  ? 324 GLU   B HB2  1 
ATOM   3185 H  HB3  . GLU   B 1 79  ? -32.595 -13.864 37.070 1.00 32.81  ? 324 GLU   B HB3  1 
ATOM   3186 H  HG2  . GLU   B 1 79  ? -32.968 -11.593 36.735 1.00 31.67  ? 324 GLU   B HG2  1 
ATOM   3187 H  HG3  . GLU   B 1 79  ? -31.438 -11.903 36.440 1.00 31.67  ? 324 GLU   B HG3  1 
ATOM   3188 N  N    . GLY   B 1 80  ? -29.528 -13.452 34.841 1.00 26.81  ? 325 GLY   B N    1 
ATOM   3189 C  CA   . GLY   B 1 80  ? -28.129 -13.173 35.053 1.00 26.18  ? 325 GLY   B CA   1 
ATOM   3190 C  C    . GLY   B 1 80  ? -27.171 -14.228 34.526 1.00 28.04  ? 325 GLY   B C    1 
ATOM   3191 O  O    . GLY   B 1 80  ? -25.972 -13.950 34.409 1.00 31.30  ? 325 GLY   B O    1 
ATOM   3192 H  H    . GLY   B 1 80  ? -29.838 -13.119 34.111 1.00 32.20  ? 325 GLY   B H    1 
ATOM   3193 H  HA2  . GLY   B 1 80  ? -27.911 -12.334 34.617 1.00 31.44  ? 325 GLY   B HA2  1 
ATOM   3194 H  HA3  . GLY   B 1 80  ? -27.972 -13.083 36.006 1.00 31.44  ? 325 GLY   B HA3  1 
ATOM   3195 N  N    . THR   B 1 81  ? -27.655 -15.427 34.212 1.00 27.45  ? 326 THR   B N    1 
ATOM   3196 C  CA   . THR   B 1 81  ? -26.832 -16.491 33.645 1.00 27.12  ? 326 THR   B CA   1 
ATOM   3197 C  C    . THR   B 1 81  ? -27.161 -16.611 32.166 1.00 22.77  ? 326 THR   B C    1 
ATOM   3198 O  O    . THR   B 1 81  ? -28.257 -17.042 31.810 1.00 23.16  ? 326 THR   B O    1 
ATOM   3199 C  CB   . THR   B 1 81  ? -27.070 -17.815 34.371 1.00 32.01  ? 326 THR   B CB   1 
ATOM   3200 O  OG1  . THR   B 1 81  ? -26.723 -17.663 35.755 1.00 32.51  ? 326 THR   B OG1  1 
ATOM   3201 C  CG2  . THR   B 1 81  ? -26.233 -18.921 33.741 1.00 34.16  ? 326 THR   B CG2  1 
ATOM   3202 H  H    . THR   B 1 81  ? -28.478 -15.651 34.322 1.00 32.97  ? 326 THR   B H    1 
ATOM   3203 H  HA   . THR   B 1 81  ? -25.895 -16.256 33.736 1.00 32.57  ? 326 THR   B HA   1 
ATOM   3204 H  HB   . THR   B 1 81  ? -28.003 -18.070 34.303 1.00 38.44  ? 326 THR   B HB   1 
ATOM   3205 H  HG1  . THR   B 1 81  ? -26.566 -18.415 36.096 1.00 39.04  ? 326 THR   B HG1  1 
ATOM   3206 H  HG21 . THR   B 1 81  ? -26.242 -19.708 34.309 1.00 41.02  ? 326 THR   B HG21 1 
ATOM   3207 H  HG22 . THR   B 1 81  ? -26.595 -19.156 32.872 1.00 41.02  ? 326 THR   B HG22 1 
ATOM   3208 H  HG23 . THR   B 1 81  ? -25.317 -18.622 33.631 1.00 41.02  ? 326 THR   B HG23 1 
ATOM   3209 N  N    . TRP   B 1 82  ? -26.223 -16.202 31.304 1.00 19.88  ? 327 TRP   B N    1 
ATOM   3210 C  CA   . TRP   B 1 82  ? -26.463 -16.146 29.869 1.00 21.10  ? 327 TRP   B CA   1 
ATOM   3211 C  C    . TRP   B 1 82  ? -25.989 -17.442 29.213 1.00 19.97  ? 327 TRP   B C    1 
ATOM   3212 O  O    . TRP   B 1 82  ? -24.885 -17.942 29.492 1.00 19.39  ? 327 TRP   B O    1 
ATOM   3213 C  CB   . TRP   B 1 82  ? -25.763 -14.919 29.266 1.00 21.36  ? 327 TRP   B CB   1 
ATOM   3214 C  CG   . TRP   B 1 82  ? -26.455 -13.652 29.685 1.00 19.97  ? 327 TRP   B CG   1 
ATOM   3215 C  CD1  . TRP   B 1 82  ? -26.230 -12.949 30.833 1.00 21.18  ? 327 TRP   B CD1  1 
ATOM   3216 C  CD2  . TRP   B 1 82  ? -27.527 -13.000 29.016 1.00 18.53  ? 327 TRP   B CD2  1 
ATOM   3217 N  NE1  . TRP   B 1 82  ? -27.078 -11.864 30.902 1.00 22.11  ? 327 TRP   B NE1  1 
ATOM   3218 C  CE2  . TRP   B 1 82  ? -27.893 -11.881 29.802 1.00 20.85  ? 327 TRP   B CE2  1 
ATOM   3219 C  CE3  . TRP   B 1 82  ? -28.199 -13.221 27.815 1.00 16.92  ? 327 TRP   B CE3  1 
ATOM   3220 C  CZ2  . TRP   B 1 82  ? -28.903 -10.994 29.420 1.00 21.39  ? 327 TRP   B CZ2  1 
ATOM   3221 C  CZ3  . TRP   B 1 82  ? -29.214 -12.354 27.444 1.00 17.27  ? 327 TRP   B CZ3  1 
ATOM   3222 C  CH2  . TRP   B 1 82  ? -29.550 -11.250 28.249 1.00 18.78  ? 327 TRP   B CH2  1 
ATOM   3223 H  H    . TRP   B 1 82  ? -25.434 -15.950 31.535 1.00 23.88  ? 327 TRP   B H    1 
ATOM   3224 H  HA   . TRP   B 1 82  ? -27.412 -16.064 29.690 1.00 25.35  ? 327 TRP   B HA   1 
ATOM   3225 H  HB2  . TRP   B 1 82  ? -24.844 -14.885 29.576 1.00 25.66  ? 327 TRP   B HB2  1 
ATOM   3226 H  HB3  . TRP   B 1 82  ? -25.784 -14.977 28.298 1.00 25.66  ? 327 TRP   B HB3  1 
ATOM   3227 H  HD1  . TRP   B 1 82  ? -25.596 -13.171 31.476 1.00 25.45  ? 327 TRP   B HD1  1 
ATOM   3228 H  HE1  . TRP   B 1 82  ? -27.093 -11.276 31.529 1.00 26.56  ? 327 TRP   B HE1  1 
ATOM   3229 H  HE3  . TRP   B 1 82  ? -27.970 -13.940 27.271 1.00 20.33  ? 327 TRP   B HE3  1 
ATOM   3230 H  HZ2  . TRP   B 1 82  ? -29.124 -10.258 29.944 1.00 25.70  ? 327 TRP   B HZ2  1 
ATOM   3231 H  HZ3  . TRP   B 1 82  ? -29.678 -12.504 26.653 1.00 20.75  ? 327 TRP   B HZ3  1 
ATOM   3232 H  HH2  . TRP   B 1 82  ? -30.232 -10.681 27.974 1.00 22.57  ? 327 TRP   B HH2  1 
ATOM   3233 N  N    . GLN   B 1 83  ? -26.823 -17.983 28.330 1.00 20.44  ? 328 GLN   B N    1 
ATOM   3234 C  CA   . GLN   B 1 83  ? -26.592 -19.288 27.732 1.00 20.19  ? 328 GLN   B CA   1 
ATOM   3235 C  C    . GLN   B 1 83  ? -26.976 -19.226 26.263 1.00 17.88  ? 328 GLN   B C    1 
ATOM   3236 O  O    . GLN   B 1 83  ? -28.015 -18.672 25.914 1.00 17.89  ? 328 GLN   B O    1 
ATOM   3237 C  CB   . GLN   B 1 83  ? -27.410 -20.323 28.487 1.00 26.20  ? 328 GLN   B CB   1 
ATOM   3238 C  CG   . GLN   B 1 83  ? -27.133 -21.764 28.175 1.00 35.75  ? 328 GLN   B CG   1 
ATOM   3239 C  CD   . GLN   B 1 83  ? -28.060 -22.677 28.969 1.00 43.78  ? 328 GLN   B CD   1 
ATOM   3240 O  OE1  . GLN   B 1 83  ? -27.614 -23.456 29.809 1.00 49.50  ? 328 GLN   B OE1  1 
ATOM   3241 N  NE2  . GLN   B 1 83  ? -29.353 -22.557 28.721 1.00 43.13  ? 328 GLN   B NE2  1 
ATOM   3242 H  H    . GLN   B 1 83  ? -27.545 -17.602 28.059 1.00 24.56  ? 328 GLN   B H    1 
ATOM   3243 H  HA   . GLN   B 1 83  ? -25.658 -19.549 27.761 1.00 24.25  ? 328 GLN   B HA   1 
ATOM   3244 H  HB2  . GLN   B 1 83  ? -27.244 -20.202 29.435 1.00 31.47  ? 328 GLN   B HB2  1 
ATOM   3245 H  HB3  . GLN   B 1 83  ? -28.347 -20.166 28.291 1.00 31.47  ? 328 GLN   B HB3  1 
ATOM   3246 H  HG2  . GLN   B 1 83  ? -27.279 -21.924 27.229 1.00 42.93  ? 328 GLN   B HG2  1 
ATOM   3247 H  HG3  . GLN   B 1 83  ? -26.216 -21.975 28.409 1.00 42.93  ? 328 GLN   B HG3  1 
ATOM   3248 H  HE21 . GLN   B 1 83  ? -29.628 -21.988 28.138 1.00 51.78  ? 328 GLN   B HE21 1 
ATOM   3249 H  HE22 . GLN   B 1 83  ? -29.919 -23.049 29.141 1.00 51.78  ? 328 GLN   B HE22 1 
ATOM   3250 N  N    . TRP   B 1 84  ? -26.124 -19.781 25.405 1.00 19.22  ? 329 TRP   B N    1 
ATOM   3251 C  CA   . TRP   B 1 84  ? -26.436 -19.881 23.983 1.00 19.42  ? 329 TRP   B CA   1 
ATOM   3252 C  C    . TRP   B 1 84  ? -27.516 -20.943 23.749 1.00 19.36  ? 329 TRP   B C    1 
ATOM   3253 O  O    . TRP   B 1 84  ? -27.752 -21.846 24.574 1.00 20.31  ? 329 TRP   B O    1 
ATOM   3254 C  CB   . TRP   B 1 84  ? -25.183 -20.212 23.187 1.00 17.66  ? 329 TRP   B CB   1 
ATOM   3255 C  CG   . TRP   B 1 84  ? -24.126 -19.168 23.291 1.00 16.83  ? 329 TRP   B CG   1 
ATOM   3256 C  CD1  . TRP   B 1 84  ? -23.030 -19.166 24.132 1.00 19.04  ? 329 TRP   B CD1  1 
ATOM   3257 C  CD2  . TRP   B 1 84  ? -24.040 -17.942 22.539 1.00 16.19  ? 329 TRP   B CD2  1 
ATOM   3258 N  NE1  . TRP   B 1 84  ? -22.284 -18.023 23.927 1.00 17.83  ? 329 TRP   B NE1  1 
ATOM   3259 C  CE2  . TRP   B 1 84  ? -22.882 -17.258 22.968 1.00 15.99  ? 329 TRP   B CE2  1 
ATOM   3260 C  CE3  . TRP   B 1 84  ? -24.826 -17.363 21.549 1.00 16.69  ? 329 TRP   B CE3  1 
ATOM   3261 C  CZ2  . TRP   B 1 84  ? -22.500 -16.013 22.447 1.00 17.24  ? 329 TRP   B CZ2  1 
ATOM   3262 C  CZ3  . TRP   B 1 84  ? -24.452 -16.132 21.025 1.00 16.00  ? 329 TRP   B CZ3  1 
ATOM   3263 C  CH2  . TRP   B 1 84  ? -23.290 -15.482 21.475 1.00 17.50  ? 329 TRP   B CH2  1 
ATOM   3264 H  H    . TRP   B 1 84  ? -25.358 -20.107 25.619 1.00 23.09  ? 329 TRP   B H    1 
ATOM   3265 H  HA   . TRP   B 1 84  ? -26.776 -19.032 23.661 1.00 23.34  ? 329 TRP   B HA   1 
ATOM   3266 H  HB2  . TRP   B 1 84  ? -24.812 -21.045 23.518 1.00 21.23  ? 329 TRP   B HB2  1 
ATOM   3267 H  HB3  . TRP   B 1 84  ? -25.421 -20.303 22.251 1.00 21.23  ? 329 TRP   B HB3  1 
ATOM   3268 H  HD1  . TRP   B 1 84  ? -22.825 -19.835 24.744 1.00 22.88  ? 329 TRP   B HD1  1 
ATOM   3269 H  HE1  . TRP   B 1 84  ? -21.557 -17.823 24.339 1.00 21.42  ? 329 TRP   B HE1  1 
ATOM   3270 H  HE3  . TRP   B 1 84  ? -25.592 -17.794 21.243 1.00 20.06  ? 329 TRP   B HE3  1 
ATOM   3271 H  HZ2  . TRP   B 1 84  ? -21.741 -15.571 22.751 1.00 20.72  ? 329 TRP   B HZ2  1 
ATOM   3272 H  HZ3  . TRP   B 1 84  ? -24.977 -15.734 20.368 1.00 19.23  ? 329 TRP   B HZ3  1 
ATOM   3273 H  HH2  . TRP   B 1 84  ? -23.055 -14.666 21.098 1.00 21.03  ? 329 TRP   B HH2  1 
ATOM   3274 N  N    . VAL   B 1 85  ? -28.198 -20.825 22.609 1.00 16.86  ? 330 VAL   B N    1 
ATOM   3275 C  CA   . VAL   B 1 85  ? -29.324 -21.707 22.359 1.00 18.19  ? 330 VAL   B CA   1 
ATOM   3276 C  C    . VAL   B 1 85  ? -28.882 -23.144 22.134 1.00 21.80  ? 330 VAL   B C    1 
ATOM   3277 O  O    . VAL   B 1 85  ? -29.714 -24.052 22.198 1.00 25.40  ? 330 VAL   B O    1 
ATOM   3278 C  CB   . VAL   B 1 85  ? -30.195 -21.267 21.165 1.00 20.10  ? 330 VAL   B CB   1 
ATOM   3279 C  CG1  . VAL   B 1 85  ? -30.910 -19.949 21.484 1.00 21.78  ? 330 VAL   B CG1  1 
ATOM   3280 C  CG2  . VAL   B 1 85  ? -29.387 -21.169 19.874 1.00 20.30  ? 330 VAL   B CG2  1 
ATOM   3281 H  H    . VAL   B 1 85  ? -28.030 -20.257 21.985 1.00 20.26  ? 330 VAL   B H    1 
ATOM   3282 H  HA   . VAL   B 1 85  ? -29.887 -21.651 23.147 1.00 21.85  ? 330 VAL   B HA   1 
ATOM   3283 H  HB   . VAL   B 1 85  ? -30.869 -21.948 21.014 1.00 24.15  ? 330 VAL   B HB   1 
ATOM   3284 H  HG11 . VAL   B 1 85  ? -31.421 -19.671 20.707 1.00 26.16  ? 330 VAL   B HG11 1 
ATOM   3285 H  HG12 . VAL   B 1 85  ? -31.504 -20.087 22.238 1.00 26.16  ? 330 VAL   B HG12 1 
ATOM   3286 H  HG13 . VAL   B 1 85  ? -30.248 -19.275 21.702 1.00 26.16  ? 330 VAL   B HG13 1 
ATOM   3287 H  HG21 . VAL   B 1 85  ? -29.970 -20.869 19.159 1.00 24.39  ? 330 VAL   B HG21 1 
ATOM   3288 H  HG22 . VAL   B 1 85  ? -28.666 -20.533 20.001 1.00 24.39  ? 330 VAL   B HG22 1 
ATOM   3289 H  HG23 . VAL   B 1 85  ? -29.025 -22.043 19.661 1.00 24.39  ? 330 VAL   B HG23 1 
ATOM   3290 N  N    . ASP   B 1 86  ? -27.587 -23.383 21.884 1.00 21.74  ? 331 ASP   B N    1 
ATOM   3291 C  CA   . ASP   B 1 86  ? -27.096 -24.753 21.795 1.00 23.74  ? 331 ASP   B CA   1 
ATOM   3292 C  C    . ASP   B 1 86  ? -26.740 -25.337 23.157 1.00 24.71  ? 331 ASP   B C    1 
ATOM   3293 O  O    . ASP   B 1 86  ? -26.229 -26.459 23.217 1.00 25.25  ? 331 ASP   B O    1 
ATOM   3294 C  CB   . ASP   B 1 86  ? -25.884 -24.832 20.862 1.00 24.41  ? 331 ASP   B CB   1 
ATOM   3295 C  CG   . ASP   B 1 86  ? -24.646 -24.159 21.418 1.00 22.36  ? 331 ASP   B CG   1 
ATOM   3296 O  OD1  . ASP   B 1 86  ? -24.711 -23.510 22.490 1.00 21.62  ? 331 ASP   B OD1  1 
ATOM   3297 O  OD2  . ASP   B 1 86  ? -23.594 -24.290 20.772 1.00 21.13  ? 331 ASP   B OD2  1 
ATOM   3298 H  H    . ASP   B 1 86  ? -26.991 -22.775 21.765 1.00 26.11  ? 331 ASP   B H    1 
ATOM   3299 H  HA   . ASP   B 1 86  ? -27.797 -25.300 21.408 1.00 28.52  ? 331 ASP   B HA   1 
ATOM   3300 H  HB2  . ASP   B 1 86  ? -25.669 -25.765 20.706 1.00 29.32  ? 331 ASP   B HB2  1 
ATOM   3301 H  HB3  . ASP   B 1 86  ? -26.105 -24.398 20.023 1.00 29.32  ? 331 ASP   B HB3  1 
ATOM   3302 N  N    . GLY   B 1 87  ? -27.014 -24.605 24.241 1.00 24.99  ? 332 GLY   B N    1 
ATOM   3303 C  CA   . GLY   B 1 87  ? -26.704 -25.050 25.582 1.00 25.69  ? 332 GLY   B CA   1 
ATOM   3304 C  C    . GLY   B 1 87  ? -25.386 -24.577 26.138 1.00 25.19  ? 332 GLY   B C    1 
ATOM   3305 O  O    . GLY   B 1 87  ? -25.156 -24.732 27.345 1.00 25.53  ? 332 GLY   B O    1 
ATOM   3306 H  H    . GLY   B 1 87  ? -27.387 -23.830 24.213 1.00 30.01  ? 332 GLY   B H    1 
ATOM   3307 H  HA2  . GLY   B 1 87  ? -27.402 -24.737 26.178 1.00 30.86  ? 332 GLY   B HA2  1 
ATOM   3308 H  HA3  . GLY   B 1 87  ? -26.694 -26.020 25.589 1.00 30.86  ? 332 GLY   B HA3  1 
ATOM   3309 N  N    . SER   B 1 88  ? -24.496 -24.028 25.309 1.00 22.25  ? 333 SER   B N    1 
ATOM   3310 C  CA   . SER   B 1 88  ? -23.182 -23.620 25.805 1.00 21.69  ? 333 SER   B CA   1 
ATOM   3311 C  C    . SER   B 1 88  ? -23.292 -22.333 26.634 1.00 20.13  ? 333 SER   B C    1 
ATOM   3312 O  O    . SER   B 1 88  ? -24.106 -21.450 26.339 1.00 19.98  ? 333 SER   B O    1 
ATOM   3313 C  CB   . SER   B 1 88  ? -22.212 -23.407 24.642 1.00 22.78  ? 333 SER   B CB   1 
ATOM   3314 O  OG   . SER   B 1 88  ? -22.700 -22.435 23.734 1.00 23.97  ? 333 SER   B OG   1 
ATOM   3315 H  H    . SER   B 1 88  ? -24.624 -23.883 24.471 1.00 26.73  ? 333 SER   B H    1 
ATOM   3316 H  HA   . SER   B 1 88  ? -22.824 -24.318 26.376 1.00 26.05  ? 333 SER   B HA   1 
ATOM   3317 H  HB2  . SER   B 1 88  ? -21.360 -23.106 24.995 1.00 27.36  ? 333 SER   B HB2  1 
ATOM   3318 H  HB3  . SER   B 1 88  ? -22.097 -24.247 24.171 1.00 27.36  ? 333 SER   B HB3  1 
ATOM   3319 H  HG   . SER   B 1 88  ? -22.201 -22.395 23.060 1.00 28.79  ? 333 SER   B HG   1 
ATOM   3320 N  N    . PRO   B 1 89  ? -22.457 -22.197 27.659 1.00 18.82  ? 334 PRO   B N    1 
ATOM   3321 C  CA   . PRO   B 1 89  ? -22.486 -20.994 28.487 1.00 19.46  ? 334 PRO   B CA   1 
ATOM   3322 C  C    . PRO   B 1 89  ? -21.772 -19.832 27.822 1.00 19.81  ? 334 PRO   B C    1 
ATOM   3323 O  O    . PRO   B 1 89  ? -20.885 -20.001 26.978 1.00 20.82  ? 334 PRO   B O    1 
ATOM   3324 C  CB   . PRO   B 1 89  ? -21.729 -21.433 29.755 1.00 21.98  ? 334 PRO   B CB   1 
ATOM   3325 C  CG   . PRO   B 1 89  ? -20.726 -22.393 29.229 1.00 23.28  ? 334 PRO   B CG   1 
ATOM   3326 C  CD   . PRO   B 1 89  ? -21.440 -23.175 28.136 1.00 20.49  ? 334 PRO   B CD   1 
ATOM   3327 H  HA   . PRO   B 1 89  ? -23.398 -20.743 28.704 1.00 23.38  ? 334 PRO   B HA   1 
ATOM   3328 H  HB2  . PRO   B 1 89  ? -21.303 -20.669 30.176 1.00 26.40  ? 334 PRO   B HB2  1 
ATOM   3329 H  HB3  . PRO   B 1 89  ? -22.335 -21.860 30.380 1.00 26.40  ? 334 PRO   B HB3  1 
ATOM   3330 H  HG2  . PRO   B 1 89  ? -19.967 -21.909 28.867 1.00 27.96  ? 334 PRO   B HG2  1 
ATOM   3331 H  HG3  . PRO   B 1 89  ? -20.433 -22.984 29.941 1.00 27.96  ? 334 PRO   B HG3  1 
ATOM   3332 H  HD2  . PRO   B 1 89  ? -20.827 -23.417 27.424 1.00 24.61  ? 334 PRO   B HD2  1 
ATOM   3333 H  HD3  . PRO   B 1 89  ? -21.862 -23.971 28.496 1.00 24.61  ? 334 PRO   B HD3  1 
ATOM   3334 N  N    . LEU   B 1 90  ? -22.185 -18.629 28.205 1.00 20.76  ? 335 LEU   B N    1 
ATOM   3335 C  CA   . LEU   B 1 90  ? -21.469 -17.434 27.777 1.00 20.71  ? 335 LEU   B CA   1 
ATOM   3336 C  C    . LEU   B 1 90  ? -20.137 -17.382 28.512 1.00 20.90  ? 335 LEU   B C    1 
ATOM   3337 O  O    . LEU   B 1 90  ? -20.112 -17.371 29.743 1.00 20.88  ? 335 LEU   B O    1 
ATOM   3338 C  CB   . LEU   B 1 90  ? -22.305 -16.186 28.056 1.00 21.09  ? 335 LEU   B CB   1 
ATOM   3339 C  CG   . LEU   B 1 90  ? -21.697 -14.877 27.588 1.00 21.18  ? 335 LEU   B CG   1 
ATOM   3340 C  CD1  . LEU   B 1 90  ? -21.529 -14.904 26.084 1.00 18.73  ? 335 LEU   B CD1  1 
ATOM   3341 C  CD2  . LEU   B 1 90  ? -22.542 -13.724 28.044 1.00 23.44  ? 335 LEU   B CD2  1 
ATOM   3342 H  H    . LEU   B 1 90  ? -22.868 -18.479 28.706 1.00 24.94  ? 335 LEU   B H    1 
ATOM   3343 H  HA   . LEU   B 1 90  ? -21.302 -17.461 26.822 1.00 24.87  ? 335 LEU   B HA   1 
ATOM   3344 H  HB2  . LEU   B 1 90  ? -23.160 -16.286 27.608 1.00 25.34  ? 335 LEU   B HB2  1 
ATOM   3345 H  HB3  . LEU   B 1 90  ? -22.439 -16.117 29.014 1.00 25.34  ? 335 LEU   B HB3  1 
ATOM   3346 H  HG   . LEU   B 1 90  ? -20.817 -14.753 27.976 1.00 25.44  ? 335 LEU   B HG   1 
ATOM   3347 H  HD11 . LEU   B 1 90  ? -21.314 -14.011 25.774 1.00 22.51  ? 335 LEU   B HD11 1 
ATOM   3348 H  HD12 . LEU   B 1 90  ? -20.810 -15.515 25.857 1.00 22.51  ? 335 LEU   B HD12 1 
ATOM   3349 H  HD13 . LEU   B 1 90  ? -22.358 -15.204 25.679 1.00 22.51  ? 335 LEU   B HD13 1 
ATOM   3350 H  HD21 . LEU   B 1 90  ? -22.042 -12.901 27.930 1.00 28.15  ? 335 LEU   B HD21 1 
ATOM   3351 H  HD22 . LEU   B 1 90  ? -23.352 -13.696 27.511 1.00 28.15  ? 335 LEU   B HD22 1 
ATOM   3352 H  HD23 . LEU   B 1 90  ? -22.767 -13.848 28.980 1.00 28.15  ? 335 LEU   B HD23 1 
ATOM   3353 N  N    . LEU   B 1 91  ? -19.046 -17.374 27.780 1.00 20.05  ? 336 LEU   B N    1 
ATOM   3354 C  CA   . LEU   B 1 91  ? -17.728 -17.403 28.430 1.00 20.04  ? 336 LEU   B CA   1 
ATOM   3355 C  C    . LEU   B 1 91  ? -17.272 -15.999 28.836 1.00 21.58  ? 336 LEU   B C    1 
ATOM   3356 O  O    . LEU   B 1 91  ? -17.696 -15.006 28.247 1.00 20.09  ? 336 LEU   B O    1 
ATOM   3357 C  CB   . LEU   B 1 91  ? -16.693 -18.027 27.492 1.00 19.63  ? 336 LEU   B CB   1 
ATOM   3358 C  CG   . LEU   B 1 91  ? -16.904 -19.486 27.108 1.00 21.84  ? 336 LEU   B CG   1 
ATOM   3359 C  CD1  . LEU   B 1 91  ? -15.939 -19.928 26.022 1.00 22.83  ? 336 LEU   B CD1  1 
ATOM   3360 C  CD2  . LEU   B 1 91  ? -16.748 -20.391 28.339 1.00 24.57  ? 336 LEU   B CD2  1 
ATOM   3361 H  H    . LEU   B 1 91  ? -19.027 -17.351 26.921 1.00 24.08  ? 336 LEU   B H    1 
ATOM   3362 H  HA   . LEU   B 1 91  ? -17.783 -17.940 29.236 1.00 24.07  ? 336 LEU   B HA   1 
ATOM   3363 H  HB2  . LEU   B 1 91  ? -16.689 -17.515 26.669 1.00 23.59  ? 336 LEU   B HB2  1 
ATOM   3364 H  HB3  . LEU   B 1 91  ? -15.826 -17.969 27.923 1.00 23.59  ? 336 LEU   B HB3  1 
ATOM   3365 H  HG   . LEU   B 1 91  ? -17.804 -19.576 26.759 1.00 26.23  ? 336 LEU   B HG   1 
ATOM   3366 H  HD11 . LEU   B 1 91  ? -16.089 -20.866 25.828 1.00 27.43  ? 336 LEU   B HD11 1 
ATOM   3367 H  HD12 . LEU   B 1 91  ? -16.094 -19.396 25.226 1.00 27.43  ? 336 LEU   B HD12 1 
ATOM   3368 H  HD13 . LEU   B 1 91  ? -15.030 -19.797 26.335 1.00 27.43  ? 336 LEU   B HD13 1 
ATOM   3369 H  HD21 . LEU   B 1 91  ? -16.786 -21.318 28.056 1.00 29.51  ? 336 LEU   B HD21 1 
ATOM   3370 H  HD22 . LEU   B 1 91  ? -15.892 -20.208 28.759 1.00 29.51  ? 336 LEU   B HD22 1 
ATOM   3371 H  HD23 . LEU   B 1 91  ? -17.468 -20.205 28.961 1.00 29.51  ? 336 LEU   B HD23 1 
ATOM   3372 N  N    . PRO   B 1 92  ? -16.407 -15.895 29.849 1.00 25.53  ? 337 PRO   B N    1 
ATOM   3373 C  CA   . PRO   B 1 92  ? -15.973 -14.560 30.312 1.00 25.47  ? 337 PRO   B CA   1 
ATOM   3374 C  C    . PRO   B 1 92  ? -15.257 -13.745 29.254 1.00 23.86  ? 337 PRO   B C    1 
ATOM   3375 O  O    . PRO   B 1 92  ? -15.274 -12.522 29.310 1.00 21.63  ? 337 PRO   B O    1 
ATOM   3376 C  CB   . PRO   B 1 92  ? -15.017 -14.883 31.485 1.00 29.08  ? 337 PRO   B CB   1 
ATOM   3377 C  CG   . PRO   B 1 92  ? -15.308 -16.267 31.870 1.00 31.29  ? 337 PRO   B CG   1 
ATOM   3378 C  CD   . PRO   B 1 92  ? -15.849 -16.982 30.671 1.00 29.75  ? 337 PRO   B CD   1 
ATOM   3379 H  HA   . PRO   B 1 92  ? -16.745 -14.070 30.634 1.00 30.60  ? 337 PRO   B HA   1 
ATOM   3380 H  HB2  . PRO   B 1 92  ? -14.097 -14.794 31.190 1.00 34.93  ? 337 PRO   B HB2  1 
ATOM   3381 H  HB3  . PRO   B 1 92  ? -15.189 -14.277 32.222 1.00 34.93  ? 337 PRO   B HB3  1 
ATOM   3382 H  HG2  . PRO   B 1 92  ? -14.490 -16.692 32.172 1.00 37.58  ? 337 PRO   B HG2  1 
ATOM   3383 H  HG3  . PRO   B 1 92  ? -15.965 -16.266 32.584 1.00 37.58  ? 337 PRO   B HG3  1 
ATOM   3384 H  HD2  . PRO   B 1 92  ? -15.141 -17.444 30.196 1.00 35.73  ? 337 PRO   B HD2  1 
ATOM   3385 H  HD3  . PRO   B 1 92  ? -16.542 -17.610 30.927 1.00 35.73  ? 337 PRO   B HD3  1 
ATOM   3386 N  N    . SER   B 1 93  ? -14.611 -14.401 28.289 1.00 24.49  ? 338 SER   B N    1 
ATOM   3387 C  CA   . SER   B 1 93  ? -13.935 -13.725 27.205 1.00 24.15  ? 338 SER   B CA   1 
ATOM   3388 C  C    . SER   B 1 93  ? -14.882 -12.976 26.299 1.00 20.48  ? 338 SER   B C    1 
ATOM   3389 O  O    . SER   B 1 93  ? -14.411 -12.290 25.382 1.00 21.44  ? 338 SER   B O    1 
ATOM   3390 C  CB   . SER   B 1 93  ? -13.154 -14.762 26.388 1.00 24.36  ? 338 SER   B CB   1 
ATOM   3391 O  OG   . SER   B 1 93  ? -14.001 -15.823 26.027 1.00 22.40  ? 338 SER   B OG   1 
ATOM   3392 H  H    . SER   B 1 93  ? -14.551 -15.258 28.245 1.00 29.42  ? 338 SER   B H    1 
ATOM   3393 H  HA   . SER   B 1 93  ? -13.313 -13.077 27.571 1.00 29.01  ? 338 SER   B HA   1 
ATOM   3394 H  HB2  . SER   B 1 93  ? -12.808 -14.342 25.586 1.00 29.26  ? 338 SER   B HB2  1 
ATOM   3395 H  HB3  . SER   B 1 93  ? -12.423 -15.106 26.925 1.00 29.26  ? 338 SER   B HB3  1 
ATOM   3396 H  HG   . SER   B 1 93  ? -13.579 -16.383 25.564 1.00 26.91  ? 338 SER   B HG   1 
ATOM   3397 N  N    . PHE   B 1 94  ? -16.201 -13.115 26.496 1.00 17.91  ? 339 PHE   B N    1 
ATOM   3398 C  CA   . PHE   B 1 94  ? -17.197 -12.419 25.689 1.00 16.64  ? 339 PHE   B CA   1 
ATOM   3399 C  C    . PHE   B 1 94  ? -17.862 -11.261 26.434 1.00 16.66  ? 339 PHE   B C    1 
ATOM   3400 O  O    . PHE   B 1 94  ? -18.670 -10.546 25.849 1.00 16.21  ? 339 PHE   B O    1 
ATOM   3401 C  CB   . PHE   B 1 94  ? -18.269 -13.409 25.208 1.00 17.50  ? 339 PHE   B CB   1 
ATOM   3402 C  CG   . PHE   B 1 94  ? -17.795 -14.327 24.119 1.00 19.93  ? 339 PHE   B CG   1 
ATOM   3403 C  CD1  . PHE   B 1 94  ? -16.922 -15.341 24.399 1.00 23.55  ? 339 PHE   B CD1  1 
ATOM   3404 C  CD2  . PHE   B 1 94  ? -18.251 -14.167 22.797 1.00 18.86  ? 339 PHE   B CD2  1 
ATOM   3405 C  CE1  . PHE   B 1 94  ? -16.471 -16.196 23.393 1.00 27.48  ? 339 PHE   B CE1  1 
ATOM   3406 C  CE2  . PHE   B 1 94  ? -17.813 -14.997 21.796 1.00 21.76  ? 339 PHE   B CE2  1 
ATOM   3407 C  CZ   . PHE   B 1 94  ? -16.917 -16.023 22.098 1.00 27.12  ? 339 PHE   B CZ   1 
ATOM   3408 H  H    . PHE   B 1 94  ? -16.543 -13.618 27.104 1.00 21.52  ? 339 PHE   B H    1 
ATOM   3409 H  HA   . PHE   B 1 94  ? -16.758 -12.051 24.906 1.00 19.99  ? 339 PHE   B HA   1 
ATOM   3410 H  HB2  . PHE   B 1 94  ? -18.546 -13.957 25.959 1.00 21.03  ? 339 PHE   B HB2  1 
ATOM   3411 H  HB3  . PHE   B 1 94  ? -19.025 -12.908 24.866 1.00 21.03  ? 339 PHE   B HB3  1 
ATOM   3412 H  HD1  . PHE   B 1 94  ? -16.624 -15.462 25.272 1.00 28.29  ? 339 PHE   B HD1  1 
ATOM   3413 H  HD2  . PHE   B 1 94  ? -18.857 -13.489 22.599 1.00 22.66  ? 339 PHE   B HD2  1 
ATOM   3414 H  HE1  . PHE   B 1 94  ? -15.874 -16.880 23.594 1.00 33.01  ? 339 PHE   B HE1  1 
ATOM   3415 H  HE2  . PHE   B 1 94  ? -18.112 -14.878 20.923 1.00 26.15  ? 339 PHE   B HE2  1 
ATOM   3416 H  HZ   . PHE   B 1 94  ? -16.619 -16.591 21.425 1.00 32.58  ? 339 PHE   B HZ   1 
ATOM   3417 N  N    . LYS   B 1 95  ? -17.557 -11.067 27.719 1.00 17.39  ? 340 LYS   B N    1 
ATOM   3418 C  CA   . LYS   B 1 95  ? -18.201 -10.011 28.477 1.00 18.91  ? 340 LYS   B CA   1 
ATOM   3419 C  C    . LYS   B 1 95  ? -17.895 -8.643  27.885 1.00 18.01  ? 340 LYS   B C    1 
ATOM   3420 O  O    . LYS   B 1 95  ? -18.713 -7.732  27.986 1.00 18.01  ? 340 LYS   B O    1 
ATOM   3421 C  CB   . LYS   B 1 95  ? -17.741 -10.048 29.939 1.00 26.47  ? 340 LYS   B CB   1 
ATOM   3422 C  CG   . LYS   B 1 95  ? -18.133 -11.308 30.683 1.00 43.94  ? 340 LYS   B CG   1 
ATOM   3423 C  CD   . LYS   B 1 95  ? -17.750 -11.232 32.169 1.00 69.76  ? 340 LYS   B CD   1 
ATOM   3424 C  CE   . LYS   B 1 95  ? -16.233 -11.249 32.378 1.00 95.57  ? 340 LYS   B CE   1 
ATOM   3425 N  NZ   . LYS   B 1 95  ? -15.840 -11.398 33.814 1.00 102.48 ? 340 LYS   B NZ   1 
ATOM   3426 H  H    . LYS   B 1 95  ? -16.987 -11.530 28.167 1.00 20.90  ? 340 LYS   B H    1 
ATOM   3427 H  HA   . LYS   B 1 95  ? -19.160 -10.157 28.454 1.00 22.72  ? 340 LYS   B HA   1 
ATOM   3428 H  HB2  . LYS   B 1 95  ? -16.773 -9.983  29.961 1.00 31.79  ? 340 LYS   B HB2  1 
ATOM   3429 H  HB3  . LYS   B 1 95  ? -18.135 -9.296  30.407 1.00 31.79  ? 340 LYS   B HB3  1 
ATOM   3430 H  HG2  . LYS   B 1 95  ? -19.093 -11.431 30.623 1.00 52.75  ? 340 LYS   B HG2  1 
ATOM   3431 H  HG3  . LYS   B 1 95  ? -17.676 -12.068 30.290 1.00 52.75  ? 340 LYS   B HG3  1 
ATOM   3432 H  HD2  . LYS   B 1 95  ? -18.097 -10.408 32.545 1.00 83.74  ? 340 LYS   B HD2  1 
ATOM   3433 H  HD3  . LYS   B 1 95  ? -18.128 -11.994 32.634 1.00 83.74  ? 340 LYS   B HD3  1 
ATOM   3434 H  HE2  . LYS   B 1 95  ? -15.856 -11.996 31.886 1.00 114.72 ? 340 LYS   B HE2  1 
ATOM   3435 H  HE3  . LYS   B 1 95  ? -15.861 -10.415 32.052 1.00 114.72 ? 340 LYS   B HE3  1 
ATOM   3436 H  HZ1  . LYS   B 1 95  ? -14.976 -11.209 33.915 1.00 123.01 ? 340 LYS   B HZ1  1 
ATOM   3437 H  HZ2  . LYS   B 1 95  ? -16.318 -10.843 34.320 1.00 123.01 ? 340 LYS   B HZ2  1 
ATOM   3438 H  HZ3  . LYS   B 1 95  ? -15.986 -12.233 34.085 1.00 123.01 ? 340 LYS   B HZ3  1 
ATOM   3439 N  N    . GLN   B 1 96  ? -16.729 -8.492  27.239 1.00 18.80  ? 341 GLN   B N    1 
ATOM   3440 C  CA   . GLN   B 1 96  ? -16.347 -7.235  26.630 1.00 18.79  ? 341 GLN   B CA   1 
ATOM   3441 C  C    . GLN   B 1 96  ? -17.343 -6.713  25.614 1.00 17.73  ? 341 GLN   B C    1 
ATOM   3442 O  O    . GLN   B 1 96  ? -17.332 -5.507  25.327 1.00 19.78  ? 341 GLN   B O    1 
ATOM   3443 C  CB   . GLN   B 1 96  ? -14.987 -7.407  25.945 1.00 18.21  ? 341 GLN   B CB   1 
ATOM   3444 C  CG   . GLN   B 1 96  ? -14.952 -8.543  24.953 1.00 17.82  ? 341 GLN   B CG   1 
ATOM   3445 C  CD   . GLN   B 1 96  ? -13.641 -8.616  24.208 1.00 19.36  ? 341 GLN   B CD   1 
ATOM   3446 O  OE1  . GLN   B 1 96  ? -13.176 -7.625  23.642 1.00 17.50  ? 341 GLN   B OE1  1 
ATOM   3447 N  NE2  . GLN   B 1 96  ? -13.032 -9.792  24.205 1.00 22.22  ? 341 GLN   B NE2  1 
ATOM   3448 H  H    . GLN   B 1 96  ? -16.143 -9.113  27.143 1.00 22.59  ? 341 GLN   B H    1 
ATOM   3449 H  HA   . GLN   B 1 96  ? -16.286 -6.571  27.335 1.00 22.58  ? 341 GLN   B HA   1 
ATOM   3450 H  HB2  . GLN   B 1 96  ? -14.770 -6.590  25.469 1.00 21.88  ? 341 GLN   B HB2  1 
ATOM   3451 H  HB3  . GLN   B 1 96  ? -14.316 -7.584  26.623 1.00 21.88  ? 341 GLN   B HB3  1 
ATOM   3452 H  HG2  . GLN   B 1 96  ? -15.077 -9.381  25.425 1.00 21.41  ? 341 GLN   B HG2  1 
ATOM   3453 H  HG3  . GLN   B 1 96  ? -15.661 -8.419  24.303 1.00 21.41  ? 341 GLN   B HG3  1 
ATOM   3454 H  HE21 . GLN   B 1 96  ? -13.386 -10.461 24.614 1.00 26.69  ? 341 GLN   B HE21 1 
ATOM   3455 H  HE22 . GLN   B 1 96  ? -12.282 -9.887  23.795 1.00 26.69  ? 341 GLN   B HE22 1 
ATOM   3456 N  N    . TYR   B 1 97  ? -18.188 -7.571  25.047 1.00 15.94  ? 342 TYR   B N    1 
ATOM   3457 C  CA   . TYR   B 1 97  ? -19.026 -7.156  23.912 1.00 15.00  ? 342 TYR   B CA   1 
ATOM   3458 C  C    . TYR   B 1 97  ? -20.313 -6.456  24.333 1.00 16.41  ? 342 TYR   B C    1 
ATOM   3459 O  O    . TYR   B 1 97  ? -20.925 -5.769  23.509 1.00 16.66  ? 342 TYR   B O    1 
ATOM   3460 C  CB   . TYR   B 1 97  ? -19.317 -8.362  23.028 1.00 14.75  ? 342 TYR   B CB   1 
ATOM   3461 C  CG   . TYR   B 1 97  ? -18.046 -9.009  22.489 1.00 16.05  ? 342 TYR   B CG   1 
ATOM   3462 C  CD1  . TYR   B 1 97  ? -17.082 -8.243  21.863 1.00 17.39  ? 342 TYR   B CD1  1 
ATOM   3463 C  CD2  . TYR   B 1 97  ? -17.801 -10.360 22.662 1.00 15.60  ? 342 TYR   B CD2  1 
ATOM   3464 C  CE1  . TYR   B 1 97  ? -15.896 -8.818  21.391 1.00 17.15  ? 342 TYR   B CE1  1 
ATOM   3465 C  CE2  . TYR   B 1 97  ? -16.633 -10.963 22.183 1.00 16.79  ? 342 TYR   B CE2  1 
ATOM   3466 C  CZ   . TYR   B 1 97  ? -15.680 -10.170 21.558 1.00 16.66  ? 342 TYR   B CZ   1 
ATOM   3467 O  OH   . TYR   B 1 97  ? -14.502 -10.730 21.079 1.00 16.22  ? 342 TYR   B OH   1 
ATOM   3468 H  H    . TYR   B 1 97  ? -18.298 -8.388  25.292 1.00 19.16  ? 342 TYR   B H    1 
ATOM   3469 H  HA   . TYR   B 1 97  ? -18.537 -6.512  23.376 1.00 18.03  ? 342 TYR   B HA   1 
ATOM   3470 H  HB2  . TYR   B 1 97  ? -19.797 -9.027  23.546 1.00 17.73  ? 342 TYR   B HB2  1 
ATOM   3471 H  HB3  . TYR   B 1 97  ? -19.855 -8.079  22.272 1.00 17.73  ? 342 TYR   B HB3  1 
ATOM   3472 H  HD1  . TYR   B 1 97  ? -17.223 -7.330  21.753 1.00 20.90  ? 342 TYR   B HD1  1 
ATOM   3473 H  HD2  . TYR   B 1 97  ? -18.429 -10.881 23.108 1.00 18.75  ? 342 TYR   B HD2  1 
ATOM   3474 H  HE1  . TYR   B 1 97  ? -15.258 -8.292  20.967 1.00 20.61  ? 342 TYR   B HE1  1 
ATOM   3475 H  HE2  . TYR   B 1 97  ? -16.498 -11.877 22.282 1.00 20.18  ? 342 TYR   B HE2  1 
ATOM   3476 H  HH   . TYR   B 1 97  ? -14.506 -11.560 21.206 1.00 19.32  ? 342 TYR   B HH   1 
ATOM   3477 N  N    . TRP   B 1 98  ? -20.721 -6.566  25.587 1.00 16.04  ? 343 TRP   B N    1 
ATOM   3478 C  CA   . TRP   B 1 98  ? -21.899 -5.845  26.050 1.00 17.23  ? 343 TRP   B CA   1 
ATOM   3479 C  C    . TRP   B 1 98  ? -21.670 -4.339  25.939 1.00 16.46  ? 343 TRP   B C    1 
ATOM   3480 O  O    . TRP   B 1 98  ? -20.625 -3.832  26.374 1.00 17.18  ? 343 TRP   B O    1 
ATOM   3481 C  CB   . TRP   B 1 98  ? -22.208 -6.190  27.503 1.00 17.23  ? 343 TRP   B CB   1 
ATOM   3482 C  CG   . TRP   B 1 98  ? -22.677 -7.593  27.793 1.00 17.47  ? 343 TRP   B CG   1 
ATOM   3483 C  CD1  . TRP   B 1 98  ? -22.002 -8.547  28.491 1.00 18.69  ? 343 TRP   B CD1  1 
ATOM   3484 C  CD2  . TRP   B 1 98  ? -23.933 -8.188  27.408 1.00 16.82  ? 343 TRP   B CD2  1 
ATOM   3485 N  NE1  . TRP   B 1 98  ? -22.764 -9.694  28.582 1.00 19.75  ? 343 TRP   B NE1  1 
ATOM   3486 C  CE2  . TRP   B 1 98  ? -23.941 -9.507  27.908 1.00 18.87  ? 343 TRP   B CE2  1 
ATOM   3487 C  CE3  . TRP   B 1 98  ? -25.041 -7.732  26.684 1.00 16.47  ? 343 TRP   B CE3  1 
ATOM   3488 C  CZ2  . TRP   B 1 98  ? -25.017 -10.372 27.728 1.00 20.49  ? 343 TRP   B CZ2  1 
ATOM   3489 C  CZ3  . TRP   B 1 98  ? -26.109 -8.583  26.498 1.00 17.45  ? 343 TRP   B CZ3  1 
ATOM   3490 C  CH2  . TRP   B 1 98  ? -26.094 -9.895  27.003 1.00 21.13  ? 343 TRP   B CH2  1 
ATOM   3491 H  H    . TRP   B 1 98  ? -20.339 -7.048  26.188 1.00 19.27  ? 343 TRP   B H    1 
ATOM   3492 H  HA   . TRP   B 1 98  ? -22.655 -6.103  25.501 1.00 20.70  ? 343 TRP   B HA   1 
ATOM   3493 H  HB2  . TRP   B 1 98  ? -21.401 -6.050  28.021 1.00 20.71  ? 343 TRP   B HB2  1 
ATOM   3494 H  HB3  . TRP   B 1 98  ? -22.907 -5.592  27.809 1.00 20.71  ? 343 TRP   B HB3  1 
ATOM   3495 H  HD1  . TRP   B 1 98  ? -21.152 -8.442  28.854 1.00 22.46  ? 343 TRP   B HD1  1 
ATOM   3496 H  HE1  . TRP   B 1 98  ? -22.536 -10.413 28.996 1.00 23.72  ? 343 TRP   B HE1  1 
ATOM   3497 H  HE3  . TRP   B 1 98  ? -25.056 -6.871  26.333 1.00 19.79  ? 343 TRP   B HE3  1 
ATOM   3498 H  HZ2  . TRP   B 1 98  ? -25.011 -11.233 28.079 1.00 24.61  ? 343 TRP   B HZ2  1 
ATOM   3499 H  HZ3  . TRP   B 1 98  ? -26.855 -8.283  26.030 1.00 20.97  ? 343 TRP   B HZ3  1 
ATOM   3500 H  HH2  . TRP   B 1 98  ? -26.822 -10.452 26.847 1.00 25.38  ? 343 TRP   B HH2  1 
ATOM   3501 N  N    . ASN   B 1 99  ? -22.664 -3.611  25.411 1.00 15.90  ? 344 ASN   B N    1 
ATOM   3502 C  CA   . ASN   B 1 99  ? -22.594 -2.155  25.412 1.00 16.86  ? 344 ASN   B CA   1 
ATOM   3503 C  C    . ASN   B 1 99  ? -22.478 -1.616  26.844 1.00 17.59  ? 344 ASN   B C    1 
ATOM   3504 O  O    . ASN   B 1 99  ? -22.809 -2.297  27.825 1.00 19.19  ? 344 ASN   B O    1 
ATOM   3505 C  CB   . ASN   B 1 99  ? -23.835 -1.518  24.775 1.00 17.85  ? 344 ASN   B CB   1 
ATOM   3506 C  CG   . ASN   B 1 99  ? -23.901 -1.715  23.279 1.00 17.86  ? 344 ASN   B CG   1 
ATOM   3507 O  OD1  . ASN   B 1 99  ? -22.880 -1.764  22.601 1.00 18.18  ? 344 ASN   B OD1  1 
ATOM   3508 N  ND2  . ASN   B 1 99  ? -25.114 -1.825  22.763 1.00 17.12  ? 344 ASN   B ND2  1 
ATOM   3509 H  H    . ASN   B 1 99  ? -23.376 -3.935  25.053 1.00 19.11  ? 344 ASN   B H    1 
ATOM   3510 H  HA   . ASN   B 1 99  ? -21.813 -1.903  24.895 1.00 20.26  ? 344 ASN   B HA   1 
ATOM   3511 H  HB2  . ASN   B 1 99  ? -24.629 -1.917  25.164 1.00 21.45  ? 344 ASN   B HB2  1 
ATOM   3512 H  HB3  . ASN   B 1 99  ? -23.823 -0.564  24.950 1.00 21.45  ? 344 ASN   B HB3  1 
ATOM   3513 H  HD21 . ASN   B 1 99  ? -25.213 -1.939  21.917 1.00 20.57  ? 344 ASN   B HD21 1 
ATOM   3514 H  HD22 . ASN   B 1 99  ? -25.804 -1.783  23.275 1.00 20.57  ? 344 ASN   B HD22 1 
ATOM   3515 N  N    . ARG   B 1 100 ? -22.024 -0.365  26.951 1.00 17.37  ? 345 ARG   B N    1 
ATOM   3516 C  CA   . ARG   B 1 100 ? -21.891 0.289   28.256 1.00 21.38  ? 345 ARG   B CA   1 
ATOM   3517 C  C    . ARG   B 1 100 ? -23.220 0.293   29.006 1.00 20.96  ? 345 ARG   B C    1 
ATOM   3518 O  O    . ARG   B 1 100 ? -24.253 0.680   28.451 1.00 20.53  ? 345 ARG   B O    1 
ATOM   3519 C  CB   . ARG   B 1 100 ? -21.373 1.720   28.060 1.00 29.71  ? 345 ARG   B CB   1 
ATOM   3520 C  CG   . ARG   B 1 100 ? -21.267 2.534   29.332 1.00 42.16  ? 345 ARG   B CG   1 
ATOM   3521 C  CD   . ARG   B 1 100 ? -20.588 3.876   29.086 1.00 56.88  ? 345 ARG   B CD   1 
ATOM   3522 N  NE   . ARG   B 1 100 ? -20.566 4.701   30.296 1.00 70.23  ? 345 ARG   B NE   1 
ATOM   3523 C  CZ   . ARG   B 1 100 ? -19.998 5.899   30.386 1.00 79.16  ? 345 ARG   B CZ   1 
ATOM   3524 N  NH1  . ARG   B 1 100 ? -20.050 6.572   31.528 1.00 81.84  ? 345 ARG   B NH1  1 
ATOM   3525 N  NH2  . ARG   B 1 100 ? -19.351 6.410   29.349 1.00 82.17  ? 345 ARG   B NH2  1 
ATOM   3526 H  H    . ARG   B 1 100 ? -21.786 0.128   26.287 1.00 20.87  ? 345 ARG   B H    1 
ATOM   3527 H  HA   . ARG   B 1 100 ? -21.254 -0.200  28.799 1.00 25.69  ? 345 ARG   B HA   1 
ATOM   3528 H  HB2  . ARG   B 1 100 ? -20.488 1.676   27.666 1.00 35.68  ? 345 ARG   B HB2  1 
ATOM   3529 H  HB3  . ARG   B 1 100 ? -21.979 2.188   27.464 1.00 35.68  ? 345 ARG   B HB3  1 
ATOM   3530 H  HG2  . ARG   B 1 100 ? -22.156 2.702   29.680 1.00 50.62  ? 345 ARG   B HG2  1 
ATOM   3531 H  HG3  . ARG   B 1 100 ? -20.742 2.043   29.984 1.00 50.62  ? 345 ARG   B HG3  1 
ATOM   3532 H  HD2  . ARG   B 1 100 ? -19.673 3.725   28.804 1.00 68.29  ? 345 ARG   B HD2  1 
ATOM   3533 H  HD3  . ARG   B 1 100 ? -21.072 4.358   28.398 1.00 68.29  ? 345 ARG   B HD3  1 
ATOM   3534 H  HE   . ARG   B 1 100 ? -20.949 4.387   30.999 1.00 84.31  ? 345 ARG   B HE   1 
ATOM   3535 H  HH11 . ARG   B 1 100 ? -20.450 6.233   32.209 1.00 98.24  ? 345 ARG   B HH11 1 
ATOM   3536 H  HH12 . ARG   B 1 100 ? -19.682 7.347   31.587 1.00 98.24  ? 345 ARG   B HH12 1 
ATOM   3537 H  HH21 . ARG   B 1 100 ? -19.298 5.966   28.615 1.00 98.63  ? 345 ARG   B HH21 1 
ATOM   3538 H  HH22 . ARG   B 1 100 ? -18.985 7.185   29.411 1.00 98.63  ? 345 ARG   B HH22 1 
ATOM   3539 N  N    . GLY   B 1 101 ? -23.182 -0.177  30.257 1.00 21.33  ? 346 GLY   B N    1 
ATOM   3540 C  CA   . GLY   B 1 101 ? -24.347 -0.306  31.102 1.00 22.19  ? 346 GLY   B CA   1 
ATOM   3541 C  C    . GLY   B 1 101 ? -25.129 -1.605  30.957 1.00 22.49  ? 346 GLY   B C    1 
ATOM   3542 O  O    . GLY   B 1 101 ? -26.021 -1.866  31.777 1.00 24.29  ? 346 GLY   B O    1 
ATOM   3543 H  H    . GLY   B 1 101 ? -22.458 -0.435  30.643 1.00 25.63  ? 346 GLY   B H    1 
ATOM   3544 H  HA2  . GLY   B 1 101 ? -24.064 -0.238  32.028 1.00 26.65  ? 346 GLY   B HA2  1 
ATOM   3545 H  HA3  . GLY   B 1 101 ? -24.954 0.424   30.903 1.00 26.65  ? 346 GLY   B HA3  1 
ATOM   3546 N  N    . GLU   B 1 102 ? -24.817 -2.434  29.963 1.00 20.96  ? 347 GLU   B N    1 
ATOM   3547 C  CA   . GLU   B 1 102 ? -25.551 -3.662  29.728 1.00 20.64  ? 347 GLU   B CA   1 
ATOM   3548 C  C    . GLU   B 1 102 ? -24.803 -4.863  30.297 1.00 20.99  ? 347 GLU   B C    1 
ATOM   3549 O  O    . GLU   B 1 102 ? -23.589 -4.800  30.526 1.00 20.75  ? 347 GLU   B O    1 
ATOM   3550 C  CB   . GLU   B 1 102 ? -25.767 -3.865  28.221 1.00 20.45  ? 347 GLU   B CB   1 
ATOM   3551 C  CG   . GLU   B 1 102 ? -26.286 -2.643  27.517 1.00 21.86  ? 347 GLU   B CG   1 
ATOM   3552 C  CD   . GLU   B 1 102 ? -27.718 -2.263  27.908 1.00 23.37  ? 347 GLU   B CD   1 
ATOM   3553 O  OE1  . GLU   B 1 102 ? -28.423 -3.093  28.538 1.00 23.43  ? 347 GLU   B OE1  1 
ATOM   3554 O  OE2  . GLU   B 1 102 ? -28.136 -1.140  27.552 1.00 22.95  ? 347 GLU   B OE2  1 
ATOM   3555 H  H    . GLU   B 1 102 ? -24.174 -2.299  29.408 1.00 25.18  ? 347 GLU   B H    1 
ATOM   3556 H  HA   . GLU   B 1 102 ? -26.417 -3.610  30.163 1.00 24.79  ? 347 GLU   B HA   1 
ATOM   3557 H  HB2  . GLU   B 1 102 ? -24.920 -4.104  27.814 1.00 24.57  ? 347 GLU   B HB2  1 
ATOM   3558 H  HB3  . GLU   B 1 102 ? -26.411 -4.578  28.091 1.00 24.57  ? 347 GLU   B HB3  1 
ATOM   3559 H  HG2  . GLU   B 1 102 ? -25.712 -1.891  27.733 1.00 26.26  ? 347 GLU   B HG2  1 
ATOM   3560 H  HG3  . GLU   B 1 102 ? -26.275 -2.805  26.561 1.00 26.26  ? 347 GLU   B HG3  1 
ATOM   3561 N  N    . PRO   B 1 103 ? -25.504 -5.976  30.571 1.00 20.54  ? 348 PRO   B N    1 
ATOM   3562 C  CA   . PRO   B 1 103 ? -26.961 -6.122  30.479 1.00 21.32  ? 348 PRO   B CA   1 
ATOM   3563 C  C    . PRO   B 1 103 ? -27.660 -5.500  31.678 1.00 23.21  ? 348 PRO   B C    1 
ATOM   3564 O  O    . PRO   B 1 103 ? -27.213 -5.733  32.772 1.00 25.34  ? 348 PRO   B O    1 
ATOM   3565 C  CB   . PRO   B 1 103 ? -27.160 -7.637  30.440 1.00 24.01  ? 348 PRO   B CB   1 
ATOM   3566 C  CG   . PRO   B 1 103 ? -26.002 -8.190  31.201 1.00 25.06  ? 348 PRO   B CG   1 
ATOM   3567 C  CD   . PRO   B 1 103 ? -24.843 -7.227  30.979 1.00 21.89  ? 348 PRO   B CD   1 
ATOM   3568 H  HA   . PRO   B 1 103 ? -27.312 -5.739  29.660 1.00 25.61  ? 348 PRO   B HA   1 
ATOM   3569 H  HB2  . PRO   B 1 103 ? -28.000 -7.872  30.865 1.00 28.85  ? 348 PRO   B HB2  1 
ATOM   3570 H  HB3  . PRO   B 1 103 ? -27.154 -7.948  29.521 1.00 28.85  ? 348 PRO   B HB3  1 
ATOM   3571 H  HG2  . PRO   B 1 103 ? -26.227 -8.243  32.143 1.00 30.10  ? 348 PRO   B HG2  1 
ATOM   3572 H  HG3  . PRO   B 1 103 ? -25.782 -9.072  30.862 1.00 30.10  ? 348 PRO   B HG3  1 
ATOM   3573 H  HD2  . PRO   B 1 103 ? -24.340 -7.099  31.799 1.00 26.29  ? 348 PRO   B HD2  1 
ATOM   3574 H  HD3  . PRO   B 1 103 ? -24.256 -7.550  30.278 1.00 26.29  ? 348 PRO   B HD3  1 
ATOM   3575 N  N    . ASN   B 1 104 ? -28.724 -4.723  31.472 1.00 23.07  ? 349 ASN   B N    1 
ATOM   3576 C  CA   . ASN   B 1 104 ? -29.363 -4.015  32.579 1.00 23.58  ? 349 ASN   B CA   1 
ATOM   3577 C  C    . ASN   B 1 104 ? -30.765 -4.514  32.906 1.00 23.17  ? 349 ASN   B C    1 
ATOM   3578 O  O    . ASN   B 1 104 ? -31.338 -4.058  33.899 1.00 22.80  ? 349 ASN   B O    1 
ATOM   3579 C  CB   . ASN   B 1 104 ? -29.380 -2.500  32.314 1.00 22.62  ? 349 ASN   B CB   1 
ATOM   3580 C  CG   . ASN   B 1 104 ? -30.111 -2.116  31.022 1.00 22.63  ? 349 ASN   B CG   1 
ATOM   3581 O  OD1  . ASN   B 1 104 ? -30.751 -2.940  30.360 1.00 19.47  ? 349 ASN   B OD1  1 
ATOM   3582 N  ND2  . ASN   B 1 104 ? -30.048 -0.845  30.687 1.00 25.64  ? 349 ASN   B ND2  1 
ATOM   3583 H  H    . ASN   B 1 104 ? -29.089 -4.593  30.705 1.00 27.71  ? 349 ASN   B H    1 
ATOM   3584 H  HA   . ASN   B 1 104 ? -28.827 -4.162  33.374 1.00 28.33  ? 349 ASN   B HA   1 
ATOM   3585 H  HB2  . ASN   B 1 104 ? -29.827 -2.058  33.052 1.00 27.17  ? 349 ASN   B HB2  1 
ATOM   3586 H  HB3  . ASN   B 1 104 ? -28.465 -2.185  32.243 1.00 27.17  ? 349 ASN   B HB3  1 
ATOM   3587 H  HD21 . ASN   B 1 104 ? -30.438 -0.568  29.973 1.00 30.79  ? 349 ASN   B HD21 1 
ATOM   3588 H  HD22 . ASN   B 1 104 ? -29.615 -0.291  31.183 1.00 30.79  ? 349 ASN   B HD22 1 
ATOM   3589 N  N    . ASN   B 1 105 ? -31.321 -5.459  32.133 1.00 22.26  ? 350 ASN   B N    1 
ATOM   3590 C  CA   . ASN   B 1 105 ? -32.609 -6.100  32.463 1.00 24.50  ? 350 ASN   B CA   1 
ATOM   3591 C  C    . ASN   B 1 105 ? -33.744 -5.088  32.685 1.00 26.77  ? 350 ASN   B C    1 
ATOM   3592 O  O    . ASN   B 1 105 ? -34.711 -5.373  33.398 1.00 25.71  ? 350 ASN   B O    1 
ATOM   3593 C  CB   . ASN   B 1 105 ? -32.444 -6.986  33.718 1.00 25.78  ? 350 ASN   B CB   1 
ATOM   3594 C  CG   . ASN   B 1 105 ? -33.558 -8.018  33.874 1.00 26.74  ? 350 ASN   B CG   1 
ATOM   3595 O  OD1  . ASN   B 1 105 ? -33.952 -8.688  32.919 1.00 25.28  ? 350 ASN   B OD1  1 
ATOM   3596 N  ND2  . ASN   B 1 105 ? -34.071 -8.148  35.095 1.00 27.64  ? 350 ASN   B ND2  1 
ATOM   3597 H  H    . ASN   B 1 105 ? -30.969 -5.749  31.405 1.00 26.74  ? 350 ASN   B H    1 
ATOM   3598 H  HA   . ASN   B 1 105 ? -32.875 -6.647  31.707 1.00 29.43  ? 350 ASN   B HA   1 
ATOM   3599 H  HB2  . ASN   B 1 105 ? -31.601 -7.462  33.659 1.00 30.96  ? 350 ASN   B HB2  1 
ATOM   3600 H  HB3  . ASN   B 1 105 ? -32.450 -6.419  34.505 1.00 30.96  ? 350 ASN   B HB3  1 
ATOM   3601 H  HD21 . ASN   B 1 105 ? -34.701 -8.715  35.239 1.00 33.19  ? 350 ASN   B HD21 1 
ATOM   3602 H  HD22 . ASN   B 1 105 ? -33.772 -7.664  35.740 1.00 33.19  ? 350 ASN   B HD22 1 
ATOM   3603 N  N    . VAL   B 1 106 ? -33.698 -3.922  32.035 1.00 29.63  ? 351 VAL   B N    1 
ATOM   3604 C  CA   . VAL   B 1 106 ? -34.667 -2.872  32.369 1.00 32.31  ? 351 VAL   B CA   1 
ATOM   3605 C  C    . VAL   B 1 106 ? -36.042 -3.265  31.843 1.00 32.00  ? 351 VAL   B C    1 
ATOM   3606 O  O    . VAL   B 1 106 ? -36.239 -3.449  30.636 1.00 32.29  ? 351 VAL   B O    1 
ATOM   3607 C  CB   . VAL   B 1 106 ? -34.231 -1.501  31.825 1.00 33.92  ? 351 VAL   B CB   1 
ATOM   3608 C  CG1  . VAL   B 1 106 ? -32.960 -1.072  32.503 1.00 37.57  ? 351 VAL   B CG1  1 
ATOM   3609 C  CG2  . VAL   B 1 106 ? -34.023 -1.531  30.340 1.00 31.50  ? 351 VAL   B CG2  1 
ATOM   3610 H  H    . VAL   B 1 106 ? -33.135 -3.718  31.418 1.00 35.58  ? 351 VAL   B H    1 
ATOM   3611 H  HA   . VAL   B 1 106 ? -34.720 -2.806  33.336 1.00 38.80  ? 351 VAL   B HA   1 
ATOM   3612 H  HB   . VAL   B 1 106 ? -34.938 -0.863  32.010 1.00 40.73  ? 351 VAL   B HB   1 
ATOM   3613 H  HG11 . VAL   B 1 106 ? -32.605 -0.295  32.045 1.00 45.11  ? 351 VAL   B HG11 1 
ATOM   3614 H  HG12 . VAL   B 1 106 ? -33.155 -0.851  33.428 1.00 45.11  ? 351 VAL   B HG12 1 
ATOM   3615 H  HG13 . VAL   B 1 106 ? -32.321 -1.800  32.465 1.00 45.11  ? 351 VAL   B HG13 1 
ATOM   3616 H  HG21 . VAL   B 1 106 ? -33.743 -0.651  30.043 1.00 37.82  ? 351 VAL   B HG21 1 
ATOM   3617 H  HG22 . VAL   B 1 106 ? -33.338 -2.185  30.131 1.00 37.82  ? 351 VAL   B HG22 1 
ATOM   3618 H  HG23 . VAL   B 1 106 ? -34.857 -1.775  29.909 1.00 37.82  ? 351 VAL   B HG23 1 
ATOM   3619 N  N    . GLY   B 1 107 ? -37.008 -3.408  32.754 1.00 31.32  ? 352 GLY   B N    1 
ATOM   3620 C  CA   . GLY   B 1 107 ? -38.306 -3.922  32.373 1.00 33.58  ? 352 GLY   B CA   1 
ATOM   3621 C  C    . GLY   B 1 107 ? -38.333 -5.400  32.042 1.00 36.66  ? 352 GLY   B C    1 
ATOM   3622 O  O    . GLY   B 1 107 ? -39.224 -5.837  31.313 1.00 39.48  ? 352 GLY   B O    1 
ATOM   3623 H  H    . GLY   B 1 107 ? -36.930 -3.214  33.588 1.00 37.62  ? 352 GLY   B H    1 
ATOM   3624 H  HA2  . GLY   B 1 107 ? -38.927 -3.771  33.103 1.00 40.33  ? 352 GLY   B HA2  1 
ATOM   3625 H  HA3  . GLY   B 1 107 ? -38.615 -3.438  31.591 1.00 40.33  ? 352 GLY   B HA3  1 
ATOM   3626 N  N    . GLU   B 1 108 ? -37.371 -6.179  32.553 1.00 35.99  ? 353 GLU   B N    1 
ATOM   3627 C  CA   . GLU   B 1 108 ? -37.233 -7.607  32.261 1.00 35.66  ? 353 GLU   B CA   1 
ATOM   3628 C  C    . GLU   B 1 108 ? -36.831 -7.831  30.801 1.00 28.13  ? 353 GLU   B C    1 
ATOM   3629 O  O    . GLU   B 1 108 ? -37.684 -7.852  29.898 1.00 26.94  ? 353 GLU   B O    1 
ATOM   3630 C  CB   . GLU   B 1 108 ? -38.521 -8.359  32.583 1.00 45.63  ? 353 GLU   B CB   1 
ATOM   3631 C  CG   . GLU   B 1 108 ? -38.697 -8.690  34.069 1.00 58.49  ? 353 GLU   B CG   1 
ATOM   3632 C  CD   . GLU   B 1 108 ? -37.600 -9.598  34.610 1.00 68.88  ? 353 GLU   B CD   1 
ATOM   3633 O  OE1  . GLU   B 1 108 ? -37.236 -9.453  35.798 1.00 72.76  ? 353 GLU   B OE1  1 
ATOM   3634 O  OE2  . GLU   B 1 108 ? -37.094 -10.457 33.845 1.00 71.74  ? 353 GLU   B OE2  1 
ATOM   3635 H  H    . GLU   B 1 108 ? -36.764 -5.892  33.091 1.00 43.21  ? 353 GLU   B H    1 
ATOM   3636 H  HA   . GLU   B 1 108 ? -36.533 -7.970  32.826 1.00 42.82  ? 353 GLU   B HA   1 
ATOM   3637 H  HB2  . GLU   B 1 108 ? -39.275 -7.814  32.311 1.00 54.78  ? 353 GLU   B HB2  1 
ATOM   3638 H  HB3  . GLU   B 1 108 ? -38.522 -9.196  32.092 1.00 54.78  ? 353 GLU   B HB3  1 
ATOM   3639 H  HG2  . GLU   B 1 108 ? -38.681 -7.866  34.580 1.00 70.22  ? 353 GLU   B HG2  1 
ATOM   3640 H  HG3  . GLU   B 1 108 ? -39.546 -9.142  34.193 1.00 70.22  ? 353 GLU   B HG3  1 
ATOM   3641 N  N    . GLU   B 1 109 ? -35.535 -8.013  30.577 1.00 23.44  ? 354 GLU   B N    1 
ATOM   3642 C  CA   . GLU   B 1 109 ? -34.963 -8.183  29.244 1.00 22.41  ? 354 GLU   B CA   1 
ATOM   3643 C  C    . GLU   B 1 109 ? -34.094 -9.430  29.289 1.00 21.07  ? 354 GLU   B C    1 
ATOM   3644 O  O    . GLU   B 1 109 ? -33.076 -9.457  30.001 1.00 19.05  ? 354 GLU   B O    1 
ATOM   3645 C  CB   . GLU   B 1 109 ? -34.136 -6.959  28.822 1.00 22.19  ? 354 GLU   B CB   1 
ATOM   3646 C  CG   . GLU   B 1 109 ? -34.905 -5.630  28.904 1.00 22.64  ? 354 GLU   B CG   1 
ATOM   3647 C  CD   . GLU   B 1 109 ? -34.071 -4.417  28.452 1.00 23.05  ? 354 GLU   B CD   1 
ATOM   3648 O  OE1  . GLU   B 1 109 ? -32.911 -4.211  28.921 1.00 22.05  ? 354 GLU   B OE1  1 
ATOM   3649 O  OE2  . GLU   B 1 109 ? -34.585 -3.646  27.604 1.00 23.62  ? 354 GLU   B OE2  1 
ATOM   3650 H  H    . GLU   B 1 109 ? -34.947 -8.043  31.203 1.00 28.15  ? 354 GLU   B H    1 
ATOM   3651 H  HA   . GLU   B 1 109 ? -35.667 -8.299  28.587 1.00 26.92  ? 354 GLU   B HA   1 
ATOM   3652 H  HB2  . GLU   B 1 109 ? -33.363 -6.889  29.405 1.00 26.66  ? 354 GLU   B HB2  1 
ATOM   3653 H  HB3  . GLU   B 1 109 ? -33.849 -7.078  27.904 1.00 26.66  ? 354 GLU   B HB3  1 
ATOM   3654 H  HG2  . GLU   B 1 109 ? -35.687 -5.684  28.332 1.00 27.19  ? 354 GLU   B HG2  1 
ATOM   3655 H  HG3  . GLU   B 1 109 ? -35.177 -5.480  29.823 1.00 27.19  ? 354 GLU   B HG3  1 
ATOM   3656 N  N    . ASP   B 1 110 ? -34.475 -10.446 28.522 1.00 22.24  ? 355 ASP   B N    1 
ATOM   3657 C  CA   . ASP   B 1 110 ? -33.855 -11.759 28.651 1.00 24.76  ? 355 ASP   B CA   1 
ATOM   3658 C  C    . ASP   B 1 110 ? -33.258 -12.284 27.350 1.00 21.17  ? 355 ASP   B C    1 
ATOM   3659 O  O    . ASP   B 1 110 ? -32.832 -13.456 27.306 1.00 18.82  ? 355 ASP   B O    1 
ATOM   3660 C  CB   . ASP   B 1 110 ? -34.867 -12.774 29.194 1.00 26.79  ? 355 ASP   B CB   1 
ATOM   3661 C  CG   . ASP   B 1 110 ? -35.399 -12.381 30.589 1.00 26.59  ? 355 ASP   B CG   1 
ATOM   3662 O  OD1  . ASP   B 1 110 ? -34.750 -11.536 31.290 1.00 23.49  ? 355 ASP   B OD1  1 
ATOM   3663 O  OD2  . ASP   B 1 110 ? -36.476 -12.920 30.965 1.00 28.06  ? 355 ASP   B OD2  1 
ATOM   3664 H  H    . ASP   B 1 110 ? -35.089 -10.399 27.922 1.00 26.72  ? 355 ASP   B H    1 
ATOM   3665 H  HA   . ASP   B 1 110 ? -33.127 -11.675 29.286 1.00 29.74  ? 355 ASP   B HA   1 
ATOM   3666 H  HB2  . ASP   B 1 110 ? -35.622 -12.827 28.587 1.00 32.17  ? 355 ASP   B HB2  1 
ATOM   3667 H  HB3  . ASP   B 1 110 ? -34.440 -13.641 29.268 1.00 32.17  ? 355 ASP   B HB3  1 
ATOM   3668 N  N    . CYS   B 1 111 ? -33.182 -11.455 26.304 1.00 17.27  ? 356 CYS   B N    1 
ATOM   3669 C  CA   . CYS   B 1 111 ? -32.700 -11.866 24.997 1.00 15.55  ? 356 CYS   B CA   1 
ATOM   3670 C  C    . CYS   B 1 111 ? -31.676 -10.868 24.476 1.00 15.11  ? 356 CYS   B C    1 
ATOM   3671 O  O    . CYS   B 1 111 ? -31.844 -9.653  24.638 1.00 17.26  ? 356 CYS   B O    1 
ATOM   3672 C  CB   . CYS   B 1 111 ? -33.886 -11.998 24.031 1.00 19.42  ? 356 CYS   B CB   1 
ATOM   3673 S  SG   . CYS   B 1 111 ? -34.991 -13.436 24.452 1.00 26.80  ? 356 CYS   B SG   1 
ATOM   3674 H  H    . CYS   B 1 111 ? -33.414 -10.628 26.337 1.00 20.76  ? 356 CYS   B H    1 
ATOM   3675 H  HA   . CYS   B 1 111 ? -32.243 -12.720 25.053 1.00 18.69  ? 356 CYS   B HA   1 
ATOM   3676 H  HB2  . CYS   B 1 111 ? -34.418 -11.187 24.070 1.00 23.34  ? 356 CYS   B HB2  1 
ATOM   3677 H  HB3  . CYS   B 1 111 ? -33.549 -12.130 23.131 1.00 23.34  ? 356 CYS   B HB3  1 
ATOM   3678 N  N    . ALA   B 1 112 ? -30.612 -11.385 23.862 1.00 14.30  ? 357 ALA   B N    1 
ATOM   3679 C  CA   . ALA   B 1 112 ? -29.500 -10.554 23.414 1.00 15.85  ? 357 ALA   B CA   1 
ATOM   3680 C  C    . ALA   B 1 112 ? -29.630 -10.179 21.938 1.00 15.30  ? 357 ALA   B C    1 
ATOM   3681 O  O    . ALA   B 1 112 ? -30.028 -11.016 21.105 1.00 13.30  ? 357 ALA   B O    1 
ATOM   3682 C  CB   . ALA   B 1 112 ? -28.164 -11.270 23.601 1.00 15.70  ? 357 ALA   B CB   1 
ATOM   3683 H  H    . ALA   B 1 112 ? -30.513 -12.223 23.694 1.00 17.01  ? 357 ALA   B H    1 
ATOM   3684 H  HA   . ALA   B 1 112 ? -29.516 -9.740  23.941 1.00 19.04  ? 357 ALA   B HA   1 
ATOM   3685 H  HB1  . ALA   B 1 112 ? -27.450 -10.696 23.282 1.00 18.87  ? 357 ALA   B HB1  1 
ATOM   3686 H  HB2  . ALA   B 1 112 ? -28.039 -11.463 24.543 1.00 18.87  ? 357 ALA   B HB2  1 
ATOM   3687 H  HB3  . ALA   B 1 112 ? -28.176 -12.097 23.093 1.00 18.87  ? 357 ALA   B HB3  1 
ATOM   3688 N  N    . GLU   B 1 113 ? -29.213 -8.940  21.628 1.00 15.74  ? 358 GLU   B N    1 
ATOM   3689 C  CA   . GLU   B 1 113 ? -29.253 -8.397  20.285 1.00 15.63  ? 358 GLU   B CA   1 
ATOM   3690 C  C    . GLU   B 1 113 ? -27.940 -7.674  19.976 1.00 15.41  ? 358 GLU   B C    1 
ATOM   3691 O  O    . GLU   B 1 113 ? -27.246 -7.186  20.883 1.00 15.02  ? 358 GLU   B O    1 
ATOM   3692 C  CB   . GLU   B 1 113 ? -30.399 -7.388  20.103 1.00 16.41  ? 358 GLU   B CB   1 
ATOM   3693 C  CG   . GLU   B 1 113 ? -30.340 -6.235  21.120 1.00 17.71  ? 358 GLU   B CG   1 
ATOM   3694 C  CD   . GLU   B 1 113 ? -31.090 -4.975  20.668 1.00 18.45  ? 358 GLU   B CD   1 
ATOM   3695 O  OE1  . GLU   B 1 113 ? -31.255 -4.039  21.521 1.00 18.85  ? 358 GLU   B OE1  1 
ATOM   3696 O  OE2  . GLU   B 1 113 ? -31.513 -4.889  19.492 1.00 17.58  ? 358 GLU   B OE2  1 
ATOM   3697 H  H    . GLU   B 1 113 ? -28.895 -8.388  22.205 1.00 18.91  ? 358 GLU   B H    1 
ATOM   3698 H  HA   . GLU   B 1 113 ? -29.370 -9.134  19.665 1.00 18.78  ? 358 GLU   B HA   1 
ATOM   3699 H  HB2  . GLU   B 1 113 ? -30.347 -7.007  19.212 1.00 19.72  ? 358 GLU   B HB2  1 
ATOM   3700 H  HB3  . GLU   B 1 113 ? -31.246 -7.848  20.218 1.00 19.72  ? 358 GLU   B HB3  1 
ATOM   3701 H  HG2  . GLU   B 1 113 ? -30.737 -6.533  21.954 1.00 21.28  ? 358 GLU   B HG2  1 
ATOM   3702 H  HG3  . GLU   B 1 113 ? -29.412 -5.992  21.263 1.00 21.28  ? 358 GLU   B HG3  1 
ATOM   3703 N  N    . PHE   B 1 114 ? -27.613 -7.620  18.692 1.00 14.94  ? 359 PHE   B N    1 
ATOM   3704 C  CA   . PHE   B 1 114 ? -26.587 -6.715  18.212 1.00 15.29  ? 359 PHE   B CA   1 
ATOM   3705 C  C    . PHE   B 1 114 ? -27.207 -5.328  18.162 1.00 15.49  ? 359 PHE   B C    1 
ATOM   3706 O  O    . PHE   B 1 114 ? -28.260 -5.126  17.531 1.00 14.23  ? 359 PHE   B O    1 
ATOM   3707 C  CB   . PHE   B 1 114 ? -26.085 -7.116  16.815 1.00 15.73  ? 359 PHE   B CB   1 
ATOM   3708 C  CG   . PHE   B 1 114 ? -25.520 -8.527  16.747 1.00 15.08  ? 359 PHE   B CG   1 
ATOM   3709 C  CD1  . PHE   B 1 114 ? -24.209 -8.780  17.125 1.00 15.73  ? 359 PHE   B CD1  1 
ATOM   3710 C  CD2  . PHE   B 1 114 ? -26.285 -9.561  16.266 1.00 15.16  ? 359 PHE   B CD2  1 
ATOM   3711 C  CE1  . PHE   B 1 114 ? -23.683 -10.066 17.035 1.00 17.29  ? 359 PHE   B CE1  1 
ATOM   3712 C  CE2  . PHE   B 1 114 ? -25.767 -10.844 16.178 1.00 15.39  ? 359 PHE   B CE2  1 
ATOM   3713 C  CZ   . PHE   B 1 114 ? -24.463 -11.096 16.565 1.00 16.58  ? 359 PHE   B CZ   1 
ATOM   3714 H  H    . PHE   B 1 114 ? -27.973 -8.102  18.078 1.00 17.95  ? 359 PHE   B H    1 
ATOM   3715 H  HA   . PHE   B 1 114 ? -25.816 -6.731  18.800 1.00 18.38  ? 359 PHE   B HA   1 
ATOM   3716 H  HB2  . PHE   B 1 114 ? -26.825 -7.064  16.191 1.00 18.91  ? 359 PHE   B HB2  1 
ATOM   3717 H  HB3  . PHE   B 1 114 ? -25.382 -6.503  16.549 1.00 18.91  ? 359 PHE   B HB3  1 
ATOM   3718 H  HD1  . PHE   B 1 114 ? -23.678 -8.086  17.441 1.00 18.90  ? 359 PHE   B HD1  1 
ATOM   3719 H  HD2  . PHE   B 1 114 ? -27.161 -9.398  15.996 1.00 18.22  ? 359 PHE   B HD2  1 
ATOM   3720 H  HE1  . PHE   B 1 114 ? -22.805 -10.229 17.293 1.00 20.78  ? 359 PHE   B HE1  1 
ATOM   3721 H  HE2  . PHE   B 1 114 ? -26.297 -11.538 15.858 1.00 18.50  ? 359 PHE   B HE2  1 
ATOM   3722 H  HZ   . PHE   B 1 114 ? -24.116 -11.957 16.507 1.00 19.93  ? 359 PHE   B HZ   1 
ATOM   3723 N  N    . SER   B 1 115 ? -26.565 -4.366  18.808 1.00 16.15  ? 360 SER   B N    1 
ATOM   3724 C  CA   . SER   B 1 115 ? -27.096 -3.000  18.902 1.00 17.88  ? 360 SER   B CA   1 
ATOM   3725 C  C    . SER   B 1 115 ? -25.937 -2.015  18.800 1.00 18.81  ? 360 SER   B C    1 
ATOM   3726 O  O    . SER   B 1 115 ? -25.155 -1.852  19.745 1.00 17.34  ? 360 SER   B O    1 
ATOM   3727 C  CB   . SER   B 1 115 ? -27.863 -2.799  20.208 1.00 19.86  ? 360 SER   B CB   1 
ATOM   3728 O  OG   . SER   B 1 115 ? -28.143 -1.424  20.440 1.00 22.78  ? 360 SER   B OG   1 
ATOM   3729 H  H    . SER   B 1 115 ? -25.811 -4.475  19.206 1.00 19.41  ? 360 SER   B H    1 
ATOM   3730 H  HA   . SER   B 1 115 ? -27.696 -2.839  18.157 1.00 21.48  ? 360 SER   B HA   1 
ATOM   3731 H  HB2  . SER   B 1 115 ? -28.701 -3.285  20.158 1.00 23.86  ? 360 SER   B HB2  1 
ATOM   3732 H  HB3  . SER   B 1 115 ? -27.326 -3.138  20.942 1.00 23.86  ? 360 SER   B HB3  1 
ATOM   3733 H  HG   . SER   B 1 115 ? -28.198 -1.277  21.266 1.00 27.36  ? 360 SER   B HG   1 
ATOM   3734 N  N    . GLY   B 1 116 ? -25.830 -1.337  17.654 1.00 21.97  ? 361 GLY   B N    1 
ATOM   3735 C  CA   . GLY   B 1 116 ? -24.719 -0.423  17.457 1.00 22.04  ? 361 GLY   B CA   1 
ATOM   3736 C  C    . GLY   B 1 116 ? -23.376 -1.126  17.398 1.00 20.25  ? 361 GLY   B C    1 
ATOM   3737 O  O    . GLY   B 1 116 ? -23.147 -1.981  16.541 1.00 22.59  ? 361 GLY   B O    1 
ATOM   3738 H  H    . GLY   B 1 116 ? -26.379 -1.392  16.994 1.00 26.39  ? 361 GLY   B H    1 
ATOM   3739 H  HA2  . GLY   B 1 116 ? -24.847 0.058   16.624 1.00 26.47  ? 361 GLY   B HA2  1 
ATOM   3740 H  HA3  . GLY   B 1 116 ? -24.697 0.213   18.189 1.00 26.47  ? 361 GLY   B HA3  1 
ATOM   3741 N  N    . ASN   B 1 117 ? -22.485 -0.796  18.325 1.00 16.48  ? 362 ASN   B N    1 
ATOM   3742 C  CA   . ASN   B 1 117 ? -21.151 -1.388  18.316 1.00 19.29  ? 362 ASN   B CA   1 
ATOM   3743 C  C    . ASN   B 1 117 ? -21.032 -2.625  19.201 1.00 16.67  ? 362 ASN   B C    1 
ATOM   3744 O  O    . ASN   B 1 117 ? -19.959 -3.224  19.247 1.00 15.27  ? 362 ASN   B O    1 
ATOM   3745 C  CB   . ASN   B 1 117 ? -20.105 -0.369  18.795 1.00 28.04  ? 362 ASN   B CB   1 
ATOM   3746 C  CG   . ASN   B 1 117 ? -20.006 0.826   17.879 1.00 37.89  ? 362 ASN   B CG   1 
ATOM   3747 O  OD1  . ASN   B 1 117 ? -19.881 0.674   16.661 1.00 41.87  ? 362 ASN   B OD1  1 
ATOM   3748 N  ND2  . ASN   B 1 117 ? -20.083 2.011   18.455 1.00 41.03  ? 362 ASN   B ND2  1 
ATOM   3749 H  H    . ASN   B 1 117 ? -22.627 -0.238  18.964 1.00 19.80  ? 362 ASN   B H    1 
ATOM   3750 H  HA   . ASN   B 1 117 ? -20.950 -1.637  17.400 1.00 23.18  ? 362 ASN   B HA   1 
ATOM   3751 H  HB2  . ASN   B 1 117 ? -20.352 -0.052  19.678 1.00 33.68  ? 362 ASN   B HB2  1 
ATOM   3752 H  HB3  . ASN   B 1 117 ? -19.236 -0.798  18.828 1.00 33.68  ? 362 ASN   B HB3  1 
ATOM   3753 H  HD21 . ASN   B 1 117 ? -20.031 2.724   17.978 1.00 49.27  ? 362 ASN   B HD21 1 
ATOM   3754 H  HD22 . ASN   B 1 117 ? -20.184 2.069   19.307 1.00 49.27  ? 362 ASN   B HD22 1 
ATOM   3755 N  N    . GLY   B 1 118 ? -22.060 -2.963  19.964 1.00 16.24  ? 363 GLY   B N    1 
ATOM   3756 C  CA   . GLY   B 1 118 ? -21.966 -4.061  20.909 1.00 15.71  ? 363 GLY   B CA   1 
ATOM   3757 C  C    . GLY   B 1 118 ? -23.283 -4.759  21.067 1.00 15.30  ? 363 GLY   B C    1 
ATOM   3758 O  O    . GLY   B 1 118 ? -24.128 -4.741  20.162 1.00 16.28  ? 363 GLY   B O    1 
ATOM   3759 H  H    . GLY   B 1 118 ? -22.824 -2.568  19.952 1.00 19.51  ? 363 GLY   B H    1 
ATOM   3760 H  HA2  . GLY   B 1 118 ? -21.310 -4.704  20.597 1.00 18.88  ? 363 GLY   B HA2  1 
ATOM   3761 H  HA3  . GLY   B 1 118 ? -21.689 -3.723  21.775 1.00 18.88  ? 363 GLY   B HA3  1 
ATOM   3762 N  N    . TRP   B 1 119 ? -23.446 -5.393  22.231 1.00 14.22  ? 364 TRP   B N    1 
ATOM   3763 C  CA   . TRP   B 1 119 ? -24.631 -6.171  22.542 1.00 15.23  ? 364 TRP   B CA   1 
ATOM   3764 C  C    . TRP   B 1 119 ? -25.522 -5.447  23.551 1.00 16.44  ? 364 TRP   B C    1 
ATOM   3765 O  O    . TRP   B 1 119 ? -25.034 -4.720  24.446 1.00 18.27  ? 364 TRP   B O    1 
ATOM   3766 C  CB   . TRP   B 1 119 ? -24.268 -7.524  23.163 1.00 16.32  ? 364 TRP   B CB   1 
ATOM   3767 C  CG   . TRP   B 1 119 ? -23.420 -8.460  22.344 1.00 15.66  ? 364 TRP   B CG   1 
ATOM   3768 C  CD1  . TRP   B 1 119 ? -23.015 -8.297  21.060 1.00 15.23  ? 364 TRP   B CD1  1 
ATOM   3769 C  CD2  . TRP   B 1 119 ? -22.881 -9.730  22.791 1.00 15.83  ? 364 TRP   B CD2  1 
ATOM   3770 N  NE1  . TRP   B 1 119 ? -22.244 -9.408  20.669 1.00 15.05  ? 364 TRP   B NE1  1 
ATOM   3771 C  CE2  . TRP   B 1 119 ? -22.149 -10.275 21.726 1.00 14.60  ? 364 TRP   B CE2  1 
ATOM   3772 C  CE3  . TRP   B 1 119 ? -22.930 -10.430 24.002 1.00 17.32  ? 364 TRP   B CE3  1 
ATOM   3773 C  CZ2  . TRP   B 1 119 ? -21.491 -11.499 21.822 1.00 14.81  ? 364 TRP   B CZ2  1 
ATOM   3774 C  CZ3  . TRP   B 1 119 ? -22.272 -11.641 24.096 1.00 18.53  ? 364 TRP   B CZ3  1 
ATOM   3775 C  CH2  . TRP   B 1 119 ? -21.572 -12.164 23.005 1.00 16.94  ? 364 TRP   B CH2  1 
ATOM   3776 H  H    . TRP   B 1 119 ? -22.865 -5.382  22.865 1.00 17.09  ? 364 TRP   B H    1 
ATOM   3777 H  HA   . TRP   B 1 119 ? -25.117 -6.301  21.713 1.00 18.30  ? 364 TRP   B HA   1 
ATOM   3778 H  HB2  . TRP   B 1 119 ? -23.783 -7.353  23.985 1.00 19.61  ? 364 TRP   B HB2  1 
ATOM   3779 H  HB3  . TRP   B 1 119 ? -25.095 -7.993  23.357 1.00 19.61  ? 364 TRP   B HB3  1 
ATOM   3780 H  HD1  . TRP   B 1 119 ? -23.216 -7.566  20.522 1.00 18.30  ? 364 TRP   B HD1  1 
ATOM   3781 H  HE1  . TRP   B 1 119 ? -21.891 -9.523  19.894 1.00 18.09  ? 364 TRP   B HE1  1 
ATOM   3782 H  HE3  . TRP   B 1 119 ? -23.396 -10.087 24.729 1.00 20.82  ? 364 TRP   B HE3  1 
ATOM   3783 H  HZ2  . TRP   B 1 119 ? -21.014 -11.848 21.103 1.00 17.80  ? 364 TRP   B HZ2  1 
ATOM   3784 H  HZ3  . TRP   B 1 119 ? -22.294 -12.114 24.896 1.00 22.27  ? 364 TRP   B HZ3  1 
ATOM   3785 H  HH2  . TRP   B 1 119 ? -21.151 -12.989 23.090 1.00 20.35  ? 364 TRP   B HH2  1 
ATOM   3786 N  N    . ASN   B 1 120 ? -26.837 -5.724  23.458 1.00 15.02  ? 365 ASN   B N    1 
ATOM   3787 C  CA   . ASN   B 1 120 ? -27.818 -5.245  24.411 1.00 16.39  ? 365 ASN   B CA   1 
ATOM   3788 C  C    . ASN   B 1 120 ? -28.762 -6.395  24.767 1.00 17.14  ? 365 ASN   B C    1 
ATOM   3789 O  O    . ASN   B 1 120 ? -29.045 -7.265  23.936 1.00 15.01  ? 365 ASN   B O    1 
ATOM   3790 C  CB   . ASN   B 1 120 ? -28.621 -4.074  23.837 1.00 16.69  ? 365 ASN   B CB   1 
ATOM   3791 C  CG   . ASN   B 1 120 ? -29.753 -3.629  24.762 1.00 17.05  ? 365 ASN   B CG   1 
ATOM   3792 O  OD1  . ASN   B 1 120 ? -29.537 -3.363  25.929 1.00 16.21  ? 365 ASN   B OD1  1 
ATOM   3793 N  ND2  . ASN   B 1 120 ? -30.962 -3.534  24.217 1.00 16.65  ? 365 ASN   B ND2  1 
ATOM   3794 H  H    . ASN   B 1 120 ? -27.180 -6.201  22.830 1.00 18.06  ? 365 ASN   B H    1 
ATOM   3795 H  HA   . ASN   B 1 120 ? -27.377 -4.947  25.222 1.00 19.70  ? 365 ASN   B HA   1 
ATOM   3796 H  HB2  . ASN   B 1 120 ? -28.027 -3.318  23.704 1.00 20.05  ? 365 ASN   B HB2  1 
ATOM   3797 H  HB3  . ASN   B 1 120 ? -29.012 -4.342  22.991 1.00 20.05  ? 365 ASN   B HB3  1 
ATOM   3798 H  HD21 . ASN   B 1 120 ? -31.632 -3.287  24.698 1.00 20.00  ? 365 ASN   B HD21 1 
ATOM   3799 H  HD22 . ASN   B 1 120 ? -31.075 -3.719  23.385 1.00 20.00  ? 365 ASN   B HD22 1 
ATOM   3800 N  N    . ASP   B 1 121 ? -29.243 -6.402  26.022 1.00 18.85  ? 366 ASP   B N    1 
ATOM   3801 C  CA   . ASP   B 1 121 ? -30.356 -7.270  26.381 1.00 18.47  ? 366 ASP   B CA   1 
ATOM   3802 C  C    . ASP   B 1 121 ? -31.659 -6.502  26.195 1.00 18.86  ? 366 ASP   B C    1 
ATOM   3803 O  O    . ASP   B 1 121 ? -31.763 -5.352  26.623 1.00 16.66  ? 366 ASP   B O    1 
ATOM   3804 C  CB   . ASP   B 1 121 ? -30.225 -7.806  27.814 1.00 18.94  ? 366 ASP   B CB   1 
ATOM   3805 C  CG   . ASP   B 1 121 ? -30.192 -6.714  28.883 1.00 17.69  ? 366 ASP   B CG   1 
ATOM   3806 O  OD1  . ASP   B 1 121 ? -29.759 -5.552  28.608 1.00 15.79  ? 366 ASP   B OD1  1 
ATOM   3807 O  OD2  . ASP   B 1 121 ? -30.595 -7.036  30.031 1.00 16.51  ? 366 ASP   B OD2  1 
ATOM   3808 H  H    . ASP   B 1 121 ? -28.941 -5.917  26.665 1.00 22.65  ? 366 ASP   B H    1 
ATOM   3809 H  HA   . ASP   B 1 121 ? -30.365 -8.046  25.799 1.00 22.19  ? 366 ASP   B HA   1 
ATOM   3810 H  HB2  . ASP   B 1 121 ? -30.983 -8.381  28.003 1.00 22.76  ? 366 ASP   B HB2  1 
ATOM   3811 H  HB3  . ASP   B 1 121 ? -29.400 -8.312  27.884 1.00 22.76  ? 366 ASP   B HB3  1 
ATOM   3812 N  N    . ASP   B 1 122 ? -32.644 -7.129  25.528 1.00 20.86  ? 367 ASP   B N    1 
ATOM   3813 C  CA   . ASP   B 1 122 ? -33.929 -6.480  25.264 1.00 20.43  ? 367 ASP   B CA   1 
ATOM   3814 C  C    . ASP   B 1 122 ? -35.072 -7.446  25.533 1.00 19.76  ? 367 ASP   B C    1 
ATOM   3815 O  O    . ASP   B 1 122 ? -34.861 -8.626  25.858 1.00 19.85  ? 367 ASP   B O    1 
ATOM   3816 C  CB   . ASP   B 1 122 ? -33.966 -5.940  23.811 1.00 22.34  ? 367 ASP   B CB   1 
ATOM   3817 C  CG   . ASP   B 1 122 ? -34.800 -4.673  23.666 1.00 23.50  ? 367 ASP   B CG   1 
ATOM   3818 O  OD1  . ASP   B 1 122 ? -35.742 -4.448  24.474 1.00 23.34  ? 367 ASP   B OD1  1 
ATOM   3819 O  OD2  . ASP   B 1 122 ? -34.513 -3.878  22.715 1.00 23.24  ? 367 ASP   B OD2  1 
ATOM   3820 H  H    . ASP   B 1 122 ? -32.584 -7.930  25.221 1.00 25.06  ? 367 ASP   B H    1 
ATOM   3821 H  HA   . ASP   B 1 122 ? -34.039 -5.742  25.884 1.00 24.55  ? 367 ASP   B HA   1 
ATOM   3822 H  HB2  . ASP   B 1 122 ? -33.060 -5.736  23.528 1.00 26.84  ? 367 ASP   B HB2  1 
ATOM   3823 H  HB3  . ASP   B 1 122 ? -34.349 -6.618  23.233 1.00 26.84  ? 367 ASP   B HB3  1 
ATOM   3824 N  N    . LYS   B 1 123 ? -36.296 -6.952  25.360 1.00 19.79  ? 368 LYS   B N    1 
ATOM   3825 C  CA   . LYS   B 1 123 ? -37.489 -7.758  25.635 1.00 22.00  ? 368 LYS   B CA   1 
ATOM   3826 C  C    . LYS   B 1 123 ? -37.700 -8.792  24.528 1.00 19.35  ? 368 LYS   B C    1 
ATOM   3827 O  O    . LYS   B 1 123 ? -37.720 -8.456  23.337 1.00 17.07  ? 368 LYS   B O    1 
ATOM   3828 C  CB   . LYS   B 1 123 ? -38.725 -6.868  25.739 1.00 25.96  ? 368 LYS   B CB   1 
ATOM   3829 C  CG   . LYS   B 1 123 ? -38.776 -5.982  26.988 1.00 31.67  ? 368 LYS   B CG   1 
ATOM   3830 C  CD   . LYS   B 1 123 ? -38.123 -4.635  26.734 1.00 36.98  ? 368 LYS   B CD   1 
ATOM   3831 C  CE   . LYS   B 1 123 ? -38.046 -3.802  28.030 1.00 38.43  ? 368 LYS   B CE   1 
ATOM   3832 N  NZ   . LYS   B 1 123 ? -37.096 -2.669  27.909 1.00 35.28  ? 368 LYS   B NZ   1 
ATOM   3833 H  H    . LYS   B 1 123 ? -36.467 -6.156  25.084 1.00 23.77  ? 368 LYS   B H    1 
ATOM   3834 H  HA   . LYS   B 1 123 ? -37.366 -8.219  26.479 1.00 26.43  ? 368 LYS   B HA   1 
ATOM   3835 H  HB2  . LYS   B 1 123 ? -38.749 -6.283  24.966 1.00 31.18  ? 368 LYS   B HB2  1 
ATOM   3836 H  HB3  . LYS   B 1 123 ? -39.512 -7.434  25.751 1.00 31.18  ? 368 LYS   B HB3  1 
ATOM   3837 H  HG2  . LYS   B 1 123 ? -39.701 -5.831  27.239 1.00 38.04  ? 368 LYS   B HG2  1 
ATOM   3838 H  HG3  . LYS   B 1 123 ? -38.303 -6.420  27.713 1.00 38.04  ? 368 LYS   B HG3  1 
ATOM   3839 H  HD2  . LYS   B 1 123 ? -37.221 -4.771  26.403 1.00 44.40  ? 368 LYS   B HD2  1 
ATOM   3840 H  HD3  . LYS   B 1 123 ? -38.645 -4.141  26.083 1.00 44.40  ? 368 LYS   B HD3  1 
ATOM   3841 H  HE2  . LYS   B 1 123 ? -38.924 -3.441  28.230 1.00 46.14  ? 368 LYS   B HE2  1 
ATOM   3842 H  HE3  . LYS   B 1 123 ? -37.748 -4.370  28.758 1.00 46.14  ? 368 LYS   B HE3  1 
ATOM   3843 H  HZ1  . LYS   B 1 123 ? -37.070 -2.211  28.672 1.00 42.36  ? 368 LYS   B HZ1  1 
ATOM   3844 H  HZ2  . LYS   B 1 123 ? -36.280 -2.974  27.728 1.00 42.36  ? 368 LYS   B HZ2  1 
ATOM   3845 H  HZ3  . LYS   B 1 123 ? -37.353 -2.124  27.254 1.00 42.36  ? 368 LYS   B HZ3  1 
ATOM   3846 N  N    . CYS   B 1 124 ? -37.883 -10.046 24.927 1.00 21.89  ? 369 CYS   B N    1 
ATOM   3847 C  CA   . CYS   B 1 124 ? -37.972 -11.128 23.949 1.00 23.55  ? 369 CYS   B CA   1 
ATOM   3848 C  C    . CYS   B 1 124 ? -39.188 -11.019 23.041 1.00 21.03  ? 369 CYS   B C    1 
ATOM   3849 O  O    . CYS   B 1 124 ? -39.163 -11.568 21.932 1.00 19.43  ? 369 CYS   B O    1 
ATOM   3850 C  CB   . CYS   B 1 124 ? -37.967 -12.476 24.692 1.00 33.10  ? 369 CYS   B CB   1 
ATOM   3851 S  SG   . CYS   B 1 124 ? -36.424 -12.746 25.721 1.00 37.92  ? 369 CYS   B SG   1 
ATOM   3852 H  H    . CYS   B 1 124 ? -37.959 -10.298 25.746 1.00 26.30  ? 369 CYS   B H    1 
ATOM   3853 H  HA   . CYS   B 1 124 ? -37.195 -11.091 23.369 1.00 28.28  ? 369 CYS   B HA   1 
ATOM   3854 H  HB2  . CYS   B 1 124 ? -38.732 -12.510 25.286 1.00 39.74  ? 369 CYS   B HB2  1 
ATOM   3855 H  HB3  . CYS   B 1 124 ? -38.021 -13.193 24.041 1.00 39.74  ? 369 CYS   B HB3  1 
ATOM   3856 N  N    . ASN   B 1 125 ? -40.248 -10.337 23.459 1.00 22.48  ? 370 ASN   B N    1 
ATOM   3857 C  CA   . ASN   B 1 125 ? -41.440 -10.207 22.622 1.00 27.15  ? 370 ASN   B CA   1 
ATOM   3858 C  C    . ASN   B 1 125 ? -41.321 -9.117  21.558 1.00 25.66  ? 370 ASN   B C    1 
ATOM   3859 O  O    . ASN   B 1 125 ? -42.253 -8.942  20.773 1.00 24.28  ? 370 ASN   B O    1 
ATOM   3860 C  CB   . ASN   B 1 125 ? -42.692 -9.920  23.469 1.00 32.22  ? 370 ASN   B CB   1 
ATOM   3861 C  CG   . ASN   B 1 125 ? -42.599 -8.603  24.251 1.00 38.33  ? 370 ASN   B CG   1 
ATOM   3862 O  OD1  . ASN   B 1 125 ? -41.565 -7.954  24.303 1.00 38.42  ? 370 ASN   B OD1  1 
ATOM   3863 N  ND2  . ASN   B 1 125 ? -43.706 -8.209  24.856 1.00 43.76  ? 370 ASN   B ND2  1 
ATOM   3864 H  H    . ASN   B 1 125 ? -40.303 -9.941  24.221 1.00 27.01  ? 370 ASN   B H    1 
ATOM   3865 H  HA   . ASN   B 1 125 ? -41.566 -11.062 22.181 1.00 32.60  ? 370 ASN   B HA   1 
ATOM   3866 H  HB2  . ASN   B 1 125 ? -43.463 -9.866  22.883 1.00 38.69  ? 370 ASN   B HB2  1 
ATOM   3867 H  HB3  . ASN   B 1 125 ? -42.811 -10.639 24.109 1.00 38.69  ? 370 ASN   B HB3  1 
ATOM   3868 H  HD21 . ASN   B 1 125 ? -44.421 -8.684  24.797 1.00 52.54  ? 370 ASN   B HD21 1 
ATOM   3869 H  HD22 . ASN   B 1 125 ? -43.712 -7.478  25.308 1.00 52.54  ? 370 ASN   B HD22 1 
ATOM   3870 N  N    . LEU   B 1 126 ? -40.215 -8.378  21.526 1.00 25.18  ? 371 LEU   B N    1 
ATOM   3871 C  CA   . LEU   B 1 126 ? -40.037 -7.295  20.573 1.00 28.46  ? 371 LEU   B CA   1 
ATOM   3872 C  C    . LEU   B 1 126 ? -39.569 -7.858  19.225 1.00 26.84  ? 371 LEU   B C    1 
ATOM   3873 O  O    . LEU   B 1 126 ? -38.721 -8.761  19.159 1.00 26.53  ? 371 LEU   B O    1 
ATOM   3874 C  CB   . LEU   B 1 126 ? -39.028 -6.298  21.146 1.00 34.29  ? 371 LEU   B CB   1 
ATOM   3875 C  CG   . LEU   B 1 126 ? -38.875 -4.872  20.620 1.00 42.39  ? 371 LEU   B CG   1 
ATOM   3876 C  CD1  . LEU   B 1 126 ? -37.882 -4.127  21.531 1.00 42.09  ? 371 LEU   B CD1  1 
ATOM   3877 C  CD2  . LEU   B 1 126 ? -38.433 -4.792  19.177 1.00 48.37  ? 371 LEU   B CD2  1 
ATOM   3878 H  H    . LEU   B 1 126 ? -39.546 -8.486  22.055 1.00 30.25  ? 371 LEU   B H    1 
ATOM   3879 H  HA   . LEU   B 1 126 ? -40.869 -6.824  20.411 1.00 34.18  ? 371 LEU   B HA   1 
ATOM   3880 H  HB2  . LEU   B 1 126 ? -39.241 -6.203  22.087 1.00 41.18  ? 371 LEU   B HB2  1 
ATOM   3881 H  HB3  . LEU   B 1 126 ? -38.153 -6.704  21.043 1.00 41.18  ? 371 LEU   B HB3  1 
ATOM   3882 H  HG   . LEU   B 1 126 ? -39.748 -4.449  20.636 1.00 50.90  ? 371 LEU   B HG   1 
ATOM   3883 H  HD11 . LEU   B 1 126 ? -37.863 -3.190  21.279 1.00 50.54  ? 371 LEU   B HD11 1 
ATOM   3884 H  HD12 . LEU   B 1 126 ? -38.171 -4.216  22.453 1.00 50.54  ? 371 LEU   B HD12 1 
ATOM   3885 H  HD13 . LEU   B 1 126 ? -37.000 -4.516  21.422 1.00 50.54  ? 371 LEU   B HD13 1 
ATOM   3886 H  HD21 . LEU   B 1 126 ? -38.188 -3.876  18.972 1.00 58.07  ? 371 LEU   B HD21 1 
ATOM   3887 H  HD22 . LEU   B 1 126 ? -37.668 -5.375  19.048 1.00 58.07  ? 371 LEU   B HD22 1 
ATOM   3888 H  HD23 . LEU   B 1 126 ? -39.164 -5.074  18.606 1.00 58.07  ? 371 LEU   B HD23 1 
ATOM   3889 N  N    . ALA   B 1 127 ? -40.113 -7.306  18.141 1.00 24.85  ? 372 ALA   B N    1 
ATOM   3890 C  CA   . ALA   B 1 127 ? -39.730 -7.750  16.807 1.00 24.77  ? 372 ALA   B CA   1 
ATOM   3891 C  C    . ALA   B 1 127 ? -38.422 -7.097  16.371 1.00 21.70  ? 372 ALA   B C    1 
ATOM   3892 O  O    . ALA   B 1 127 ? -38.283 -5.861  16.423 1.00 21.87  ? 372 ALA   B O    1 
ATOM   3893 C  CB   . ALA   B 1 127 ? -40.836 -7.422  15.807 1.00 27.22  ? 372 ALA   B CB   1 
ATOM   3894 H  H    . ALA   B 1 127 ? -40.701 -6.678  18.153 1.00 29.85  ? 372 ALA   B H    1 
ATOM   3895 H  HA   . ALA   B 1 127 ? -39.593 -8.711  16.822 1.00 29.76  ? 372 ALA   B HA   1 
ATOM   3896 H  HB1  . ALA   B 1 127 ? -40.569 -7.733  14.927 1.00 32.69  ? 372 ALA   B HB1  1 
ATOM   3897 H  HB2  . ALA   B 1 127 ? -41.652 -7.868  16.081 1.00 32.69  ? 372 ALA   B HB2  1 
ATOM   3898 H  HB3  . ALA   B 1 127 ? -40.973 -6.462  15.791 1.00 32.69  ? 372 ALA   B HB3  1 
ATOM   3899 N  N    . LYS   B 1 128 ? -37.469 -7.928  15.925 1.00 18.93  ? 373 LYS   B N    1 
ATOM   3900 C  CA   . LYS   B 1 128 ? -36.189 -7.459  15.422 1.00 13.81  ? 373 LYS   B CA   1 
ATOM   3901 C  C    . LYS   B 1 128 ? -35.767 -8.305  14.224 1.00 14.92  ? 373 LYS   B C    1 
ATOM   3902 O  O    . LYS   B 1 128 ? -36.320 -9.367  13.984 1.00 16.17  ? 373 LYS   B O    1 
ATOM   3903 C  CB   . LYS   B 1 128 ? -35.092 -7.541  16.496 1.00 13.73  ? 373 LYS   B CB   1 
ATOM   3904 C  CG   . LYS   B 1 128 ? -35.325 -6.698  17.740 1.00 16.45  ? 373 LYS   B CG   1 
ATOM   3905 C  CD   . LYS   B 1 128 ? -34.189 -6.921  18.764 1.00 16.37  ? 373 LYS   B CD   1 
ATOM   3906 C  CE   . LYS   B 1 128 ? -34.419 -6.156  20.075 1.00 18.06  ? 373 LYS   B CE   1 
ATOM   3907 N  NZ   . LYS   B 1 128 ? -34.218 -4.702  19.870 1.00 21.16  ? 373 LYS   B NZ   1 
ATOM   3908 H  H    . LYS   B 1 128 ? -37.552 -8.784  15.906 1.00 22.75  ? 373 LYS   B H    1 
ATOM   3909 H  HA   . LYS   B 1 128 ? -36.298 -6.538  15.139 1.00 16.60  ? 373 LYS   B HA   1 
ATOM   3910 H  HB2  . LYS   B 1 128 ? -35.016 -8.464  16.783 1.00 16.50  ? 373 LYS   B HB2  1 
ATOM   3911 H  HB3  . LYS   B 1 128 ? -34.257 -7.246  16.100 1.00 16.50  ? 373 LYS   B HB3  1 
ATOM   3912 H  HG2  . LYS   B 1 128 ? -35.342 -5.758  17.498 1.00 19.77  ? 373 LYS   B HG2  1 
ATOM   3913 H  HG3  . LYS   B 1 128 ? -36.166 -6.950  18.151 1.00 19.77  ? 373 LYS   B HG3  1 
ATOM   3914 H  HD2  . LYS   B 1 128 ? -34.133 -7.866  18.974 1.00 19.68  ? 373 LYS   B HD2  1 
ATOM   3915 H  HD3  . LYS   B 1 128 ? -33.352 -6.616  18.381 1.00 19.68  ? 373 LYS   B HD3  1 
ATOM   3916 H  HE2  . LYS   B 1 128 ? -35.328 -6.303  20.381 1.00 21.70  ? 373 LYS   B HE2  1 
ATOM   3917 H  HE3  . LYS   B 1 128 ? -33.790 -6.464  20.745 1.00 21.70  ? 373 LYS   B HE3  1 
ATOM   3918 H  HZ1  . LYS   B 1 128 ? -34.302 -4.271  20.644 1.00 25.42  ? 373 LYS   B HZ1  1 
ATOM   3919 H  HZ2  . LYS   B 1 128 ? -33.405 -4.551  19.541 1.00 25.42  ? 373 LYS   B HZ2  1 
ATOM   3920 H  HZ3  . LYS   B 1 128 ? -34.823 -4.389  19.298 1.00 25.42  ? 373 LYS   B HZ3  1 
ATOM   3921 N  N    . PHE   B 1 129 ? -34.740 -7.848  13.496 1.00 15.79  ? 374 PHE   B N    1 
ATOM   3922 C  CA   . PHE   B 1 129 ? -34.102 -8.732  12.508 1.00 15.95  ? 374 PHE   B CA   1 
ATOM   3923 C  C    . PHE   B 1 129 ? -33.385 -9.887  13.229 1.00 16.18  ? 374 PHE   B C    1 
ATOM   3924 O  O    . PHE   B 1 129 ? -33.222 -9.881  14.451 1.00 15.24  ? 374 PHE   B O    1 
ATOM   3925 C  CB   . PHE   B 1 129 ? -33.138 -7.962  11.639 1.00 15.76  ? 374 PHE   B CB   1 
ATOM   3926 C  CG   . PHE   B 1 129 ? -33.792 -6.865  10.846 1.00 19.20  ? 374 PHE   B CG   1 
ATOM   3927 C  CD1  . PHE   B 1 129 ? -34.325 -7.131  9.598  1.00 21.36  ? 374 PHE   B CD1  1 
ATOM   3928 C  CD2  . PHE   B 1 129 ? -33.872 -5.565  11.348 1.00 19.95  ? 374 PHE   B CD2  1 
ATOM   3929 C  CE1  . PHE   B 1 129 ? -34.937 -6.125  8.859  1.00 21.29  ? 374 PHE   B CE1  1 
ATOM   3930 C  CE2  . PHE   B 1 129 ? -34.486 -4.558  10.624 1.00 20.21  ? 374 PHE   B CE2  1 
ATOM   3931 C  CZ   . PHE   B 1 129 ? -35.017 -4.843  9.365  1.00 20.92  ? 374 PHE   B CZ   1 
ATOM   3932 H  H    . PHE   B 1 129 ? -34.404 -7.058  13.551 1.00 18.97  ? 374 PHE   B H    1 
ATOM   3933 H  HA   . PHE   B 1 129 ? -34.779 -9.107  11.923 1.00 19.17  ? 374 PHE   B HA   1 
ATOM   3934 H  HB2  . PHE   B 1 129 ? -32.461 -7.558  12.205 1.00 18.94  ? 374 PHE   B HB2  1 
ATOM   3935 H  HB3  . PHE   B 1 129 ? -32.723 -8.576  11.013 1.00 18.94  ? 374 PHE   B HB3  1 
ATOM   3936 H  HD1  . PHE   B 1 129 ? -34.274 -7.991  9.250  1.00 25.66  ? 374 PHE   B HD1  1 
ATOM   3937 H  HD2  . PHE   B 1 129 ? -33.507 -5.373  12.182 1.00 23.96  ? 374 PHE   B HD2  1 
ATOM   3938 H  HE1  . PHE   B 1 129 ? -35.294 -6.316  8.022  1.00 25.57  ? 374 PHE   B HE1  1 
ATOM   3939 H  HE2  . PHE   B 1 129 ? -34.545 -3.698  10.974 1.00 24.29  ? 374 PHE   B HE2  1 
ATOM   3940 H  HZ   . PHE   B 1 129 ? -35.424 -4.170  8.868  1.00 25.13  ? 374 PHE   B HZ   1 
ATOM   3941 N  N    . TRP   B 1 130 ? -32.968 -10.905 12.459 1.00 16.05  ? 375 TRP   B N    1 
ATOM   3942 C  CA   . TRP   B 1 130 ? -32.234 -12.016 13.045 1.00 15.65  ? 375 TRP   B CA   1 
ATOM   3943 C  C    . TRP   B 1 130 ? -31.227 -12.549 12.036 1.00 15.02  ? 375 TRP   B C    1 
ATOM   3944 O  O    . TRP   B 1 130 ? -31.329 -12.290 10.829 1.00 16.24  ? 375 TRP   B O    1 
ATOM   3945 C  CB   . TRP   B 1 130 ? -33.198 -13.145 13.488 1.00 16.45  ? 375 TRP   B CB   1 
ATOM   3946 C  CG   . TRP   B 1 130 ? -33.853 -13.919 12.369 1.00 17.32  ? 375 TRP   B CG   1 
ATOM   3947 C  CD1  . TRP   B 1 130 ? -33.413 -15.076 11.790 1.00 17.08  ? 375 TRP   B CD1  1 
ATOM   3948 C  CD2  . TRP   B 1 130 ? -35.070 -13.578 11.705 1.00 17.33  ? 375 TRP   B CD2  1 
ATOM   3949 N  NE1  . TRP   B 1 130 ? -34.262 -15.454 10.808 1.00 18.11  ? 375 TRP   B NE1  1 
ATOM   3950 C  CE2  . TRP   B 1 130 ? -35.299 -14.560 10.734 1.00 18.42  ? 375 TRP   B CE2  1 
ATOM   3951 C  CE3  . TRP   B 1 130 ? -35.987 -12.521 11.838 1.00 19.18  ? 375 TRP   B CE3  1 
ATOM   3952 C  CZ2  . TRP   B 1 130 ? -36.418 -14.535 9.888  1.00 19.56  ? 375 TRP   B CZ2  1 
ATOM   3953 C  CZ3  . TRP   B 1 130 ? -37.091 -12.499 10.995 1.00 22.74  ? 375 TRP   B CZ3  1 
ATOM   3954 C  CH2  . TRP   B 1 130 ? -37.292 -13.501 10.040 1.00 22.97  ? 375 TRP   B CH2  1 
ATOM   3955 H  H    . TRP   B 1 130 ? -33.099 -10.965 11.611 1.00 19.28  ? 375 TRP   B H    1 
ATOM   3956 H  HA   . TRP   B 1 130 ? -31.740 -11.700 13.819 1.00 18.81  ? 375 TRP   B HA   1 
ATOM   3957 H  HB2  . TRP   B 1 130 ? -32.698 -13.780 14.024 1.00 19.77  ? 375 TRP   B HB2  1 
ATOM   3958 H  HB3  . TRP   B 1 130 ? -33.907 -12.749 14.019 1.00 19.77  ? 375 TRP   B HB3  1 
ATOM   3959 H  HD1  . TRP   B 1 130 ? -32.643 -15.537 12.036 1.00 20.52  ? 375 TRP   B HD1  1 
ATOM   3960 H  HE1  . TRP   B 1 130 ? -34.167 -16.147 10.307 1.00 21.76  ? 375 TRP   B HE1  1 
ATOM   3961 H  HE3  . TRP   B 1 130 ? -35.858 -11.854 12.473 1.00 23.04  ? 375 TRP   B HE3  1 
ATOM   3962 H  HZ2  . TRP   B 1 130 ? -36.557 -15.198 9.250  1.00 23.50  ? 375 TRP   B HZ2  1 
ATOM   3963 H  HZ3  . TRP   B 1 130 ? -37.707 -11.806 11.068 1.00 27.32  ? 375 TRP   B HZ3  1 
ATOM   3964 H  HH2  . TRP   B 1 130 ? -38.043 -13.459 9.492  1.00 27.59  ? 375 TRP   B HH2  1 
ATOM   3965 N  N    . ILE   B 1 131 ? -30.242 -13.297 12.549 1.00 16.97  ? 376 ILE   B N    1 
ATOM   3966 C  CA   . ILE   B 1 131 ? -29.199 -13.935 11.737 1.00 17.73  ? 376 ILE   B CA   1 
ATOM   3967 C  C    . ILE   B 1 131 ? -29.184 -15.423 12.034 1.00 16.16  ? 376 ILE   B C    1 
ATOM   3968 O  O    . ILE   B 1 131 ? -29.069 -15.822 13.206 1.00 14.49  ? 376 ILE   B O    1 
ATOM   3969 C  CB   . ILE   B 1 131 ? -27.815 -13.330 12.022 1.00 17.37  ? 376 ILE   B CB   1 
ATOM   3970 C  CG1  . ILE   B 1 131 ? -27.739 -11.881 11.506 1.00 19.91  ? 376 ILE   B CG1  1 
ATOM   3971 C  CG2  . ILE   B 1 131 ? -26.707 -14.152 11.376 1.00 16.14  ? 376 ILE   B CG2  1 
ATOM   3972 C  CD1  . ILE   B 1 131 ? -26.514 -11.148 12.013 1.00 21.81  ? 376 ILE   B CD1  1 
ATOM   3973 H  H    . ILE   B 1 131 ? -30.157 -13.451 13.390 1.00 20.40  ? 376 ILE   B H    1 
ATOM   3974 H  HA   . ILE   B 1 131 ? -29.416 -13.811 10.799 1.00 21.30  ? 376 ILE   B HA   1 
ATOM   3975 H  HB   . ILE   B 1 131 ? -27.691 -13.339 12.984 1.00 20.87  ? 376 ILE   B HB   1 
ATOM   3976 H  HG12 . ILE   B 1 131 ? -27.704 -11.892 10.537 1.00 23.92  ? 376 ILE   B HG12 1 
ATOM   3977 H  HG13 . ILE   B 1 131 ? -28.525 -11.397 11.805 1.00 23.92  ? 376 ILE   B HG13 1 
ATOM   3978 H  HG21 . ILE   B 1 131 ? -25.878 -13.648 11.412 1.00 19.39  ? 376 ILE   B HG21 1 
ATOM   3979 H  HG22 . ILE   B 1 131 ? -26.609 -14.986 11.861 1.00 19.39  ? 376 ILE   B HG22 1 
ATOM   3980 H  HG23 . ILE   B 1 131 ? -26.945 -14.332 10.453 1.00 19.39  ? 376 ILE   B HG23 1 
ATOM   3981 H  HD11 . ILE   B 1 131 ? -26.641 -10.195 11.885 1.00 26.20  ? 376 ILE   B HD11 1 
ATOM   3982 H  HD12 . ILE   B 1 131 ? -26.398 -11.343 12.956 1.00 26.20  ? 376 ILE   B HD12 1 
ATOM   3983 H  HD13 . ILE   B 1 131 ? -25.738 -11.449 11.516 1.00 26.20  ? 376 ILE   B HD13 1 
ATOM   3984 N  N    . CYS   B 1 132 ? -29.255 -16.243 10.970 1.00 16.25  ? 377 CYS   B N    1 
ATOM   3985 C  CA   . CYS   B 1 132 ? -29.148 -17.686 11.098 1.00 16.98  ? 377 CYS   B CA   1 
ATOM   3986 C  C    . CYS   B 1 132 ? -27.755 -18.145 10.683 1.00 16.07  ? 377 CYS   B C    1 
ATOM   3987 O  O    . CYS   B 1 132 ? -27.091 -17.499 9.867  1.00 15.37  ? 377 CYS   B O    1 
ATOM   3988 C  CB   . CYS   B 1 132 ? -30.172 -18.421 10.214 1.00 22.04  ? 377 CYS   B CB   1 
ATOM   3989 S  SG   . CYS   B 1 132 ? -31.921 -18.028 10.435 1.00 25.20  ? 377 CYS   B SG   1 
ATOM   3990 H  H    . CYS   B 1 132 ? -29.366 -15.972 10.162 1.00 19.53  ? 377 CYS   B H    1 
ATOM   3991 H  HA   . CYS   B 1 132 ? -29.315 -17.919 12.025 1.00 20.40  ? 377 CYS   B HA   1 
ATOM   3992 H  HB2  . CYS   B 1 132 ? -29.958 -18.224 9.288  1.00 26.48  ? 377 CYS   B HB2  1 
ATOM   3993 H  HB3  . CYS   B 1 132 ? -30.078 -19.372 10.381 1.00 26.48  ? 377 CYS   B HB3  1 
ATOM   3994 N  N    . LYS   B 1 133 ? -27.344 -19.299 11.202 1.00 15.15  ? 378 LYS   B N    1 
ATOM   3995 C  CA   . LYS   B 1 133 ? -26.020 -19.874 10.922 1.00 14.68  ? 378 LYS   B CA   1 
ATOM   3996 C  C    . LYS   B 1 133 ? -26.144 -21.364 10.677 1.00 14.85  ? 378 LYS   B C    1 
ATOM   3997 O  O    . LYS   B 1 133 ? -26.860 -22.060 11.394 1.00 15.15  ? 378 LYS   B O    1 
ATOM   3998 C  CB   . LYS   B 1 133 ? -25.065 -19.597 12.099 1.00 15.82  ? 378 LYS   B CB   1 
ATOM   3999 C  CG   . LYS   B 1 133 ? -23.667 -20.205 11.987 1.00 17.15  ? 378 LYS   B CG   1 
ATOM   4000 C  CD   . LYS   B 1 133 ? -22.911 -20.043 13.312 1.00 16.44  ? 378 LYS   B CD   1 
ATOM   4001 C  CE   . LYS   B 1 133 ? -21.584 -20.767 13.334 1.00 17.97  ? 378 LYS   B CE   1 
ATOM   4002 N  NZ   . LYS   B 1 133 ? -20.899 -20.572 14.646 1.00 19.70  ? 378 LYS   B NZ   1 
ATOM   4003 H  H    . LYS   B 1 133 ? -27.821 -19.781 11.731 1.00 18.21  ? 378 LYS   B H    1 
ATOM   4004 H  HA   . LYS   B 1 133 ? -25.649 -19.485 10.115 1.00 17.64  ? 378 LYS   B HA   1 
ATOM   4005 H  HB2  . LYS   B 1 133 ? -24.954 -18.636 12.179 1.00 19.01  ? 378 LYS   B HB2  1 
ATOM   4006 H  HB3  . LYS   B 1 133 ? -25.469 -19.953 12.906 1.00 19.01  ? 378 LYS   B HB3  1 
ATOM   4007 H  HG2  . LYS   B 1 133 ? -23.738 -21.150 11.784 1.00 20.61  ? 378 LYS   B HG2  1 
ATOM   4008 H  HG3  . LYS   B 1 133 ? -23.169 -19.751 11.289 1.00 20.61  ? 378 LYS   B HG3  1 
ATOM   4009 H  HD2  . LYS   B 1 133 ? -22.738 -19.101 13.463 1.00 19.76  ? 378 LYS   B HD2  1 
ATOM   4010 H  HD3  . LYS   B 1 133 ? -23.456 -20.399 14.031 1.00 19.76  ? 378 LYS   B HD3  1 
ATOM   4011 H  HE2  . LYS   B 1 133 ? -21.730 -21.716 13.201 1.00 21.60  ? 378 LYS   B HE2  1 
ATOM   4012 H  HE3  . LYS   B 1 133 ? -21.012 -20.417 12.633 1.00 21.60  ? 378 LYS   B HE3  1 
ATOM   4013 H  HZ1  . LYS   B 1 133 ? -20.111 -20.986 14.642 1.00 23.66  ? 378 LYS   B HZ1  1 
ATOM   4014 H  HZ2  . LYS   B 1 133 ? -20.769 -19.705 14.796 1.00 23.66  ? 378 LYS   B HZ2  1 
ATOM   4015 H  HZ3  . LYS   B 1 133 ? -21.398 -20.907 15.302 1.00 23.66  ? 378 LYS   B HZ3  1 
ATOM   4016 N  N    . LYS   B 1 134 ? -25.426 -21.867 9.671  1.00 14.94  ? 379 LYS   B N    1 
ATOM   4017 C  CA   . LYS   B 1 134 ? -25.303 -23.302 9.485  1.00 15.42  ? 379 LYS   B CA   1 
ATOM   4018 C  C    . LYS   B 1 134 ? -23.977 -23.602 8.801  1.00 15.64  ? 379 LYS   B C    1 
ATOM   4019 O  O    . LYS   B 1 134 ? -23.342 -22.716 8.220  1.00 15.53  ? 379 LYS   B O    1 
ATOM   4020 C  CB   . LYS   B 1 134 ? -26.442 -23.904 8.659  1.00 18.21  ? 379 LYS   B CB   1 
ATOM   4021 C  CG   . LYS   B 1 134 ? -26.521 -23.414 7.208  1.00 23.05  ? 379 LYS   B CG   1 
ATOM   4022 C  CD   . LYS   B 1 134 ? -27.589 -24.268 6.501  1.00 32.01  ? 379 LYS   B CD   1 
ATOM   4023 C  CE   . LYS   B 1 134 ? -28.491 -23.508 5.603  1.00 38.85  ? 379 LYS   B CE   1 
ATOM   4024 N  NZ   . LYS   B 1 134 ? -29.527 -24.472 5.076  1.00 44.02  ? 379 LYS   B NZ   1 
ATOM   4025 H  H    . LYS   B 1 134 ? -25.004 -21.396 9.089  1.00 17.79  ? 379 LYS   B H    1 
ATOM   4026 H  HA   . LYS   B 1 134 ? -25.319 -23.714 10.363 1.00 18.53  ? 379 LYS   B HA   1 
ATOM   4027 H  HB2  . LYS   B 1 134 ? -26.327 -24.867 8.635  1.00 21.89  ? 379 LYS   B HB2  1 
ATOM   4028 H  HB3  . LYS   B 1 134 ? -27.283 -23.681 9.088  1.00 21.89  ? 379 LYS   B HB3  1 
ATOM   4029 H  HG2  . LYS   B 1 134 ? -26.784 -22.481 7.180  1.00 27.68  ? 379 LYS   B HG2  1 
ATOM   4030 H  HG3  . LYS   B 1 134 ? -25.667 -23.532 6.764  1.00 27.68  ? 379 LYS   B HG3  1 
ATOM   4031 H  HD2  . LYS   B 1 134 ? -27.141 -24.940 5.964  1.00 38.44  ? 379 LYS   B HD2  1 
ATOM   4032 H  HD3  . LYS   B 1 134 ? -28.140 -24.695 7.175  1.00 38.44  ? 379 LYS   B HD3  1 
ATOM   4033 H  HE2  . LYS   B 1 134 ? -28.933 -22.798 6.094  1.00 46.64  ? 379 LYS   B HE2  1 
ATOM   4034 H  HE3  . LYS   B 1 134 ? -27.990 -23.136 4.860  1.00 46.64  ? 379 LYS   B HE3  1 
ATOM   4035 H  HZ1  . LYS   B 1 134 ? -29.136 -25.095 4.574  1.00 52.85  ? 379 LYS   B HZ1  1 
ATOM   4036 H  HZ2  . LYS   B 1 134 ? -29.946 -24.869 5.754  1.00 52.85  ? 379 LYS   B HZ2  1 
ATOM   4037 H  HZ3  . LYS   B 1 134 ? -30.125 -24.036 4.582  1.00 52.85  ? 379 LYS   B HZ3  1 
ATOM   4038 N  N    . SER   B 1 135 ? -23.562 -24.863 8.875  1.00 17.68  ? 380 SER   B N    1 
ATOM   4039 C  CA   . SER   B 1 135 ? -22.249 -25.234 8.356  1.00 22.67  ? 380 SER   B CA   1 
ATOM   4040 C  C    . SER   B 1 135 ? -22.266 -25.216 6.836  1.00 21.88  ? 380 SER   B C    1 
ATOM   4041 O  O    . SER   B 1 135 ? -23.306 -25.413 6.192  1.00 20.39  ? 380 SER   B O    1 
ATOM   4042 C  CB   . SER   B 1 135 ? -21.820 -26.595 8.895  1.00 27.19  ? 380 SER   B CB   1 
ATOM   4043 O  OG   . SER   B 1 135 ? -22.604 -27.625 8.388  1.00 29.40  ? 380 SER   B OG   1 
ATOM   4044 H  H    . SER   B 1 135 ? -24.012 -25.512 9.215  1.00 21.25  ? 380 SER   B H    1 
ATOM   4045 H  HA   . SER   B 1 135 ? -21.580 -24.596 8.650  1.00 27.23  ? 380 SER   B HA   1 
ATOM   4046 H  HB2  . SER   B 1 135 ? -20.896 -26.753 8.643  1.00 32.66  ? 380 SER   B HB2  1 
ATOM   4047 H  HB3  . SER   B 1 135 ? -21.903 -26.587 9.862  1.00 32.66  ? 380 SER   B HB3  1 
ATOM   4048 H  HG   . SER   B 1 135 ? -23.404 -27.517 8.619  1.00 35.31  ? 380 SER   B HG   1 
ATOM   4049 N  N    . ALA   B 1 136 ? -21.100 -24.933 6.256  1.00 21.33  ? 381 ALA   B N    1 
ATOM   4050 C  CA   . ALA   B 1 136 ? -20.949 -24.889 4.816  1.00 20.87  ? 381 ALA   B CA   1 
ATOM   4051 C  C    . ALA   B 1 136 ? -20.680 -26.290 4.259  1.00 20.35  ? 381 ALA   B C    1 
ATOM   4052 O  O    . ALA   B 1 136 ? -20.177 -27.196 4.950  1.00 19.82  ? 381 ALA   B O    1 
ATOM   4053 C  CB   . ALA   B 1 136 ? -19.807 -23.948 4.430  1.00 20.36  ? 381 ALA   B CB   1 
ATOM   4054 H  H    . ALA   B 1 136 ? -20.375 -24.762 6.686  1.00 25.63  ? 381 ALA   B H    1 
ATOM   4055 H  HA   . ALA   B 1 136 ? -21.768 -24.557 4.417  1.00 25.07  ? 381 ALA   B HA   1 
ATOM   4056 H  HB1  . ALA   B 1 136 ? -19.752 -23.899 3.462  1.00 24.46  ? 381 ALA   B HB1  1 
ATOM   4057 H  HB2  . ALA   B 1 136 ? -19.986 -23.067 4.796  1.00 24.46  ? 381 ALA   B HB2  1 
ATOM   4058 H  HB3  . ALA   B 1 136 ? -18.976 -24.294 4.792  1.00 24.46  ? 381 ALA   B HB3  1 
ATOM   4059 N  N    . ALA   B 1 137 ? -21.024 -26.463 2.986  1.00 21.54  ? 382 ALA   B N    1 
ATOM   4060 C  CA   . ALA   B 1 137 ? -20.706 -27.693 2.278  1.00 27.21  ? 382 ALA   B CA   1 
ATOM   4061 C  C    . ALA   B 1 137 ? -19.263 -27.654 1.793  1.00 29.60  ? 382 ALA   B C    1 
ATOM   4062 O  O    . ALA   B 1 137 ? -18.707 -26.581 1.499  1.00 28.06  ? 382 ALA   B O    1 
ATOM   4063 C  CB   . ALA   B 1 137 ? -21.643 -27.878 1.080  1.00 28.82  ? 382 ALA   B CB   1 
ATOM   4064 H  H    . ALA   B 1 137 ? -21.442 -25.881 2.510  1.00 25.88  ? 382 ALA   B H    1 
ATOM   4065 H  HA   . ALA   B 1 137 ? -20.819 -28.452 2.871  1.00 32.68  ? 382 ALA   B HA   1 
ATOM   4066 H  HB1  . ALA   B 1 137 ? -21.410 -28.700 0.620  1.00 34.61  ? 382 ALA   B HB1  1 
ATOM   4067 H  HB2  . ALA   B 1 137 ? -22.558 -27.925 1.399  1.00 34.61  ? 382 ALA   B HB2  1 
ATOM   4068 H  HB3  . ALA   B 1 137 ? -21.541 -27.123 0.479  1.00 34.61  ? 382 ALA   B HB3  1 
ATOM   4069 N  N    . SER   B 1 138 ? -18.658 -28.836 1.692  1.00 34.35  ? 383 SER   B N    1 
ATOM   4070 C  CA   . SER   B 1 138 ? -17.290 -28.948 1.192  1.00 41.63  ? 383 SER   B CA   1 
ATOM   4071 C  C    . SER   B 1 138 ? -17.312 -29.228 -0.308 1.00 48.65  ? 383 SER   B C    1 
ATOM   4072 O  O    . SER   B 1 138 ? -18.045 -30.107 -0.773 1.00 46.37  ? 383 SER   B O    1 
ATOM   4073 C  CB   . SER   B 1 138 ? -16.540 -30.050 1.940  1.00 45.11  ? 383 SER   B CB   1 
ATOM   4074 O  OG   . SER   B 1 138 ? -15.251 -30.247 1.385  1.00 47.49  ? 383 SER   B OG   1 
ATOM   4075 H  H    . SER   B 1 138 ? -19.019 -29.586 1.908  1.00 41.25  ? 383 SER   B H    1 
ATOM   4076 H  HA   . SER   B 1 138 ? -16.817 -28.114 1.333  1.00 49.99  ? 383 SER   B HA   1 
ATOM   4077 H  HB2  . SER   B 1 138 ? -16.448 -29.793 2.871  1.00 54.16  ? 383 SER   B HB2  1 
ATOM   4078 H  HB3  . SER   B 1 138 ? -17.043 -30.876 1.872  1.00 54.16  ? 383 SER   B HB3  1 
ATOM   4079 H  HG   . SER   B 1 138 ? -14.746 -30.605 1.953  1.00 57.01  ? 383 SER   B HG   1 
ATOM   4080 N  N    . CYS   B 1 139 ? -16.516 -28.481 -1.060 1.00 57.49  ? 384 CYS   B N    1 
ATOM   4081 C  CA   . CYS   B 1 139 ? -16.434 -28.678 -2.506 1.00 60.97  ? 384 CYS   B CA   1 
ATOM   4082 C  C    . CYS   B 1 139 ? -15.002 -29.012 -2.940 1.00 58.98  ? 384 CYS   B C    1 
ATOM   4083 O  O    . CYS   B 1 139 ? -14.080 -28.228 -2.713 1.00 56.53  ? 384 CYS   B O    1 
ATOM   4084 C  CB   . CYS   B 1 139 ? -16.928 -27.426 -3.246 1.00 61.08  ? 384 CYS   B CB   1 
ATOM   4085 S  SG   . CYS   B 1 139 ? -18.650 -26.959 -2.894 1.00 56.28  ? 384 CYS   B SG   1 
ATOM   4086 H  H    . CYS   B 1 139 ? -16.012 -27.853 -0.759 1.00 69.01  ? 384 CYS   B H    1 
ATOM   4087 H  HA   . CYS   B 1 139 ? -17.003 -29.423 -2.754 1.00 73.20  ? 384 CYS   B HA   1 
ATOM   4088 H  HB2  . CYS   B 1 139 ? -16.365 -26.677 -2.993 1.00 73.33  ? 384 CYS   B HB2  1 
ATOM   4089 H  HB3  . CYS   B 1 139 ? -16.859 -27.586 -4.200 1.00 73.33  ? 384 CYS   B HB3  1 
ATOM   4090 N  N    . CYS   C 1 8   ? 8.824   11.806  -7.442 1.00 51.06  ? 253 CYS   C N    1 
ATOM   4091 C  CA   . CYS   C 1 8   ? 8.752   11.877  -5.984 1.00 51.41  ? 253 CYS   C CA   1 
ATOM   4092 C  C    . CYS   C 1 8   ? 7.363   11.512  -5.472 1.00 42.62  ? 253 CYS   C C    1 
ATOM   4093 O  O    . CYS   C 1 8   ? 6.364   12.075  -5.913 1.00 41.09  ? 253 CYS   C O    1 
ATOM   4094 C  CB   . CYS   C 1 8   ? 9.105   13.286  -5.482 1.00 59.85  ? 253 CYS   C CB   1 
ATOM   4095 S  SG   . CYS   C 1 8   ? 9.319   13.429  -3.666 1.00 61.68  ? 253 CYS   C SG   1 
ATOM   4096 H  HA   . CYS   C 1 8   ? 9.396   11.246  -5.625 1.00 61.71  ? 253 CYS   C HA   1 
ATOM   4097 H  HB2  . CYS   C 1 8   ? 9.938   13.560  -5.896 1.00 71.85  ? 253 CYS   C HB2  1 
ATOM   4098 H  HB3  . CYS   C 1 8   ? 8.391   13.891  -5.740 1.00 71.85  ? 253 CYS   C HB3  1 
ATOM   4099 N  N    . HIS   C 1 9   ? 7.316   10.593  -4.517 1.00 36.40  ? 254 HIS   C N    1 
ATOM   4100 C  CA   . HIS   C 1 9   ? 6.088   10.262  -3.808 1.00 32.55  ? 254 HIS   C CA   1 
ATOM   4101 C  C    . HIS   C 1 9   ? 6.423   10.144  -2.330 1.00 26.75  ? 254 HIS   C C    1 
ATOM   4102 O  O    . HIS   C 1 9   ? 7.567   9.834   -1.973 1.00 26.12  ? 254 HIS   C O    1 
ATOM   4103 C  CB   . HIS   C 1 9   ? 5.468   8.963   -4.337 1.00 34.24  ? 254 HIS   C CB   1 
ATOM   4104 C  CG   . HIS   C 1 9   ? 6.438   7.845   -4.508 1.00 35.38  ? 254 HIS   C CG   1 
ATOM   4105 N  ND1  . HIS   C 1 9   ? 6.419   6.717   -3.728 1.00 34.37  ? 254 HIS   C ND1  1 
ATOM   4106 C  CD2  . HIS   C 1 9   ? 7.463   7.678   -5.378 1.00 34.58  ? 254 HIS   C CD2  1 
ATOM   4107 C  CE1  . HIS   C 1 9   ? 7.391   5.904   -4.100 1.00 35.16  ? 254 HIS   C CE1  1 
ATOM   4108 N  NE2  . HIS   C 1 9   ? 8.038   6.460   -5.104 1.00 35.28  ? 254 HIS   C NE2  1 
ATOM   4109 H  H    . HIS   C 1 9   ? 7.998   10.138  -4.259 1.00 43.71  ? 254 HIS   C H    1 
ATOM   4110 H  HA   . HIS   C 1 9   ? 5.421   10.959  -3.914 1.00 39.09  ? 254 HIS   C HA   1 
ATOM   4111 H  HB2  . HIS   C 1 9   ? 4.787   8.668   -3.712 1.00 41.11  ? 254 HIS   C HB2  1 
ATOM   4112 H  HB3  . HIS   C 1 9   ? 5.068   9.141   -5.203 1.00 41.11  ? 254 HIS   C HB3  1 
ATOM   4113 H  HD1  . HIS   C 1 9   ? 5.859   6.563   -3.093 1.00 41.27  ? 254 HIS   C HD1  1 
ATOM   4114 H  HD2  . HIS   C 1 9   ? 7.729   8.277   -6.038 1.00 41.53  ? 254 HIS   C HD2  1 
ATOM   4115 H  HE1  . HIS   C 1 9   ? 7.585   5.078   -3.718 1.00 42.22  ? 254 HIS   C HE1  1 
ATOM   4116 N  N    . PRO   C 1 10  ? 5.475   10.408  -1.447 1.00 23.43  ? 255 PRO   C N    1 
ATOM   4117 C  CA   . PRO   C 1 10  ? 5.814   10.531  -0.018 1.00 21.72  ? 255 PRO   C CA   1 
ATOM   4118 C  C    . PRO   C 1 10  ? 6.076   9.205   0.688  1.00 20.04  ? 255 PRO   C C    1 
ATOM   4119 O  O    . PRO   C 1 10  ? 6.776   9.193   1.710  1.00 20.50  ? 255 PRO   C O    1 
ATOM   4120 C  CB   . PRO   C 1 10  ? 4.594   11.246  0.584  1.00 20.97  ? 255 PRO   C CB   1 
ATOM   4121 C  CG   . PRO   C 1 10  ? 3.468   10.927  -0.343 1.00 22.58  ? 255 PRO   C CG   1 
ATOM   4122 C  CD   . PRO   C 1 10  ? 4.077   10.807  -1.724 1.00 23.75  ? 255 PRO   C CD   1 
ATOM   4123 H  HA   . PRO   C 1 10  ? 6.604   11.088  0.066  1.00 26.09  ? 255 PRO   C HA   1 
ATOM   4124 H  HB2  . PRO   C 1 10  ? 4.417   10.906  1.475  1.00 25.20  ? 255 PRO   C HB2  1 
ATOM   4125 H  HB3  . PRO   C 1 10  ? 4.754   12.202  0.620  1.00 25.20  ? 255 PRO   C HB3  1 
ATOM   4126 H  HG2  . PRO   C 1 10  ? 3.055   10.090  -0.078 1.00 27.12  ? 255 PRO   C HG2  1 
ATOM   4127 H  HG3  . PRO   C 1 10  ? 2.813   11.642  -0.319 1.00 27.12  ? 255 PRO   C HG3  1 
ATOM   4128 H  HD2  . PRO   C 1 10  ? 3.621   10.128  -2.245 1.00 28.52  ? 255 PRO   C HD2  1 
ATOM   4129 H  HD3  . PRO   C 1 10  ? 4.047   11.658  -2.190 1.00 28.52  ? 255 PRO   C HD3  1 
ATOM   4130 N  N    . CYS   C 1 11  ? 5.515   8.100   0.190  1.00 19.01  ? 256 CYS   C N    1 
ATOM   4131 C  CA   . CYS   C 1 11  ? 5.631   6.838   0.915  1.00 19.37  ? 256 CYS   C CA   1 
ATOM   4132 C  C    . CYS   C 1 11  ? 6.102   5.734   -0.020 1.00 21.79  ? 256 CYS   C C    1 
ATOM   4133 O  O    . CYS   C 1 11  ? 5.817   5.769   -1.220 1.00 24.87  ? 256 CYS   C O    1 
ATOM   4134 C  CB   . CYS   C 1 11  ? 4.278   6.429   1.538  1.00 21.23  ? 256 CYS   C CB   1 
ATOM   4135 S  SG   . CYS   C 1 11  ? 3.675   7.568   2.816  1.00 24.27  ? 256 CYS   C SG   1 
ATOM   4136 H  H    . CYS   C 1 11  ? 5.073   8.062   -0.547 1.00 22.84  ? 256 CYS   C H    1 
ATOM   4137 H  HA   . CYS   C 1 11  ? 6.285   6.936   1.626  1.00 23.27  ? 256 CYS   C HA   1 
ATOM   4138 H  HB2  . CYS   C 1 11  ? 3.610   6.395   0.835  1.00 25.50  ? 256 CYS   C HB2  1 
ATOM   4139 H  HB3  . CYS   C 1 11  ? 4.375   5.554   1.946  1.00 25.50  ? 256 CYS   C HB3  1 
ATOM   4140 N  N    . PRO   C 1 12  ? 6.794   4.726   0.501  1.00 21.03  ? 257 PRO   C N    1 
ATOM   4141 C  CA   . PRO   C 1 12  ? 7.136   3.567   -0.335 1.00 21.53  ? 257 PRO   C CA   1 
ATOM   4142 C  C    . PRO   C 1 12  ? 5.883   2.862   -0.837 1.00 19.97  ? 257 PRO   C C    1 
ATOM   4143 O  O    . PRO   C 1 12  ? 4.811   2.943   -0.228 1.00 18.69  ? 257 PRO   C O    1 
ATOM   4144 C  CB   . PRO   C 1 12  ? 7.930   2.645   0.612  1.00 22.83  ? 257 PRO   C CB   1 
ATOM   4145 C  CG   . PRO   C 1 12  ? 8.272   3.473   1.802  1.00 22.68  ? 257 PRO   C CG   1 
ATOM   4146 C  CD   . PRO   C 1 12  ? 7.241   4.576   1.897  1.00 20.57  ? 257 PRO   C CD   1 
ATOM   4147 H  HA   . PRO   C 1 12  ? 7.697   3.839   -1.078 1.00 25.86  ? 257 PRO   C HA   1 
ATOM   4148 H  HB2  . PRO   C 1 12  ? 7.379   1.888   0.867  1.00 27.43  ? 257 PRO   C HB2  1 
ATOM   4149 H  HB3  . PRO   C 1 12  ? 8.734   2.335   0.167  1.00 27.43  ? 257 PRO   C HB3  1 
ATOM   4150 H  HG2  . PRO   C 1 12  ? 8.247   2.918   2.597  1.00 27.25  ? 257 PRO   C HG2  1 
ATOM   4151 H  HG3  . PRO   C 1 12  ? 9.159   3.849   1.688  1.00 27.25  ? 257 PRO   C HG3  1 
ATOM   4152 H  HD2  . PRO   C 1 12  ? 6.504   4.314   2.471  1.00 24.71  ? 257 PRO   C HD2  1 
ATOM   4153 H  HD3  . PRO   C 1 12  ? 7.640   5.397   2.224  1.00 24.71  ? 257 PRO   C HD3  1 
ATOM   4154 N  N    . TRP   C 1 13  ? 6.034   2.141   -1.955 1.00 18.97  ? 258 TRP   C N    1 
ATOM   4155 C  CA   . TRP   C 1 13  ? 4.919   1.359   -2.476 1.00 18.39  ? 258 TRP   C CA   1 
ATOM   4156 C  C    . TRP   C 1 13  ? 4.368   0.443   -1.390 1.00 20.51  ? 258 TRP   C C    1 
ATOM   4157 O  O    . TRP   C 1 13  ? 5.132   -0.148  -0.614 1.00 19.37  ? 258 TRP   C O    1 
ATOM   4158 C  CB   . TRP   C 1 13  ? 5.353   0.496   -3.673 1.00 17.66  ? 258 TRP   C CB   1 
ATOM   4159 C  CG   . TRP   C 1 13  ? 5.409   1.224   -4.975 1.00 18.13  ? 258 TRP   C CG   1 
ATOM   4160 C  CD1  . TRP   C 1 13  ? 6.396   2.056   -5.408 1.00 20.21  ? 258 TRP   C CD1  1 
ATOM   4161 C  CD2  . TRP   C 1 13  ? 4.440   1.168   -6.023 1.00 19.10  ? 258 TRP   C CD2  1 
ATOM   4162 N  NE1  . TRP   C 1 13  ? 6.099   2.536   -6.678 1.00 20.85  ? 258 TRP   C NE1  1 
ATOM   4163 C  CE2  . TRP   C 1 13  ? 4.895   2.003   -7.065 1.00 19.23  ? 258 TRP   C CE2  1 
ATOM   4164 C  CE3  . TRP   C 1 13  ? 3.233   0.498   -6.186 1.00 20.86  ? 258 TRP   C CE3  1 
ATOM   4165 C  CZ2  . TRP   C 1 13  ? 4.179   2.177   -8.237 1.00 19.46  ? 258 TRP   C CZ2  1 
ATOM   4166 C  CZ3  . TRP   C 1 13  ? 2.523   0.675   -7.352 1.00 20.82  ? 258 TRP   C CZ3  1 
ATOM   4167 C  CH2  . TRP   C 1 13  ? 3.004   1.501   -8.364 1.00 20.00  ? 258 TRP   C CH2  1 
ATOM   4168 H  H    . TRP   C 1 13  ? 6.757   2.092   -2.418 1.00 22.79  ? 258 TRP   C H    1 
ATOM   4169 H  HA   . TRP   C 1 13  ? 4.230   1.972   -2.776 1.00 22.10  ? 258 TRP   C HA   1 
ATOM   4170 H  HB2  . TRP   C 1 13  ? 6.240   0.145   -3.495 1.00 21.05  ? 258 TRP   C HB2  1 
ATOM   4171 H  HB3  . TRP   C 1 13  ? 4.721   -0.233  -3.773 1.00 21.05  ? 258 TRP   C HB3  1 
ATOM   4172 H  HD1  . TRP   C 1 13  ? 7.160   2.273   -4.924 1.00 24.28  ? 258 TRP   C HD1  1 
ATOM   4173 H  HE1  . TRP   C 1 13  ? 6.585   3.074   -7.141 1.00 25.04  ? 258 TRP   C HE1  1 
ATOM   4174 H  HE3  . TRP   C 1 13  ? 2.910   -0.062  -5.517 1.00 25.07  ? 258 TRP   C HE3  1 
ATOM   4175 H  HZ2  . TRP   C 1 13  ? 4.489   2.735   -8.913 1.00 23.38  ? 258 TRP   C HZ2  1 
ATOM   4176 H  HZ3  . TRP   C 1 13  ? 1.711   0.237   -7.465 1.00 25.02  ? 258 TRP   C HZ3  1 
ATOM   4177 H  HH2  . TRP   C 1 13  ? 2.510   1.593   -9.147 1.00 24.03  ? 258 TRP   C HH2  1 
ATOM   4178 N  N    . GLU   C 1 14  ? 3.039   0.340   -1.340 1.00 24.76  ? 259 GLU   C N    1 
ATOM   4179 C  CA   . GLU   C 1 14  ? 2.259   -0.495  -0.441 1.00 29.43  ? 259 GLU   C CA   1 
ATOM   4180 C  C    . GLU   C 1 14  ? 2.063   0.169   0.917  1.00 26.55  ? 259 GLU   C C    1 
ATOM   4181 O  O    . GLU   C 1 14  ? 1.314   -0.374  1.742  1.00 27.12  ? 259 GLU   C O    1 
ATOM   4182 C  CB   . GLU   C 1 14  ? 2.873   -1.893  -0.228 1.00 36.58  ? 259 GLU   C CB   1 
ATOM   4183 C  CG   . GLU   C 1 14  ? 3.148   -2.648  -1.510 1.00 45.86  ? 259 GLU   C CG   1 
ATOM   4184 C  CD   . GLU   C 1 14  ? 3.994   -3.898  -1.288 1.00 54.69  ? 259 GLU   C CD   1 
ATOM   4185 O  OE1  . GLU   C 1 14  ? 3.885   -4.518  -0.209 1.00 57.41  ? 259 GLU   C OE1  1 
ATOM   4186 O  OE2  . GLU   C 1 14  ? 4.769   -4.265  -2.201 1.00 58.44  ? 259 GLU   C OE2  1 
ATOM   4187 H  H    . GLU   C 1 14  ? 2.533   0.787   -1.876 1.00 29.74  ? 259 GLU   C H    1 
ATOM   4188 H  HA   . GLU   C 1 14  ? 1.382   -0.626  -0.834 1.00 35.35  ? 259 GLU   C HA   1 
ATOM   4189 H  HB2  . GLU   C 1 14  ? 3.715   -1.793  0.243  1.00 43.92  ? 259 GLU   C HB2  1 
ATOM   4190 H  HB3  . GLU   C 1 14  ? 2.258   -2.424  0.302  1.00 43.92  ? 259 GLU   C HB3  1 
ATOM   4191 H  HG2  . GLU   C 1 14  ? 2.304   -2.923  -1.902 1.00 55.06  ? 259 GLU   C HG2  1 
ATOM   4192 H  HG3  . GLU   C 1 14  ? 3.625   -2.068  -2.123 1.00 55.06  ? 259 GLU   C HG3  1 
ATOM   4193 N  N    . TRP   C 1 15  ? 2.675   1.332   1.181  1.00 22.15  ? 260 TRP   C N    1 
ATOM   4194 C  CA   . TRP   C 1 15  ? 2.476   2.050   2.423  1.00 19.67  ? 260 TRP   C CA   1 
ATOM   4195 C  C    . TRP   C 1 15  ? 1.396   3.115   2.241  1.00 21.31  ? 260 TRP   C C    1 
ATOM   4196 O  O    . TRP   C 1 15  ? 1.206   3.674   1.151  1.00 24.65  ? 260 TRP   C O    1 
ATOM   4197 C  CB   . TRP   C 1 15  ? 3.786   2.698   2.888  1.00 17.72  ? 260 TRP   C CB   1 
ATOM   4198 C  CG   . TRP   C 1 15  ? 4.843   1.700   3.305  1.00 19.00  ? 260 TRP   C CG   1 
ATOM   4199 C  CD1  . TRP   C 1 15  ? 5.423   0.740   2.528  1.00 20.76  ? 260 TRP   C CD1  1 
ATOM   4200 C  CD2  . TRP   C 1 15  ? 5.464   1.585   4.602  1.00 19.63  ? 260 TRP   C CD2  1 
ATOM   4201 N  NE1  . TRP   C 1 15  ? 6.346   0.022   3.255  1.00 22.64  ? 260 TRP   C NE1  1 
ATOM   4202 C  CE2  . TRP   C 1 15  ? 6.388   0.522   4.529  1.00 22.34  ? 260 TRP   C CE2  1 
ATOM   4203 C  CE3  . TRP   C 1 15  ? 5.314   2.257   5.802  1.00 16.29  ? 260 TRP   C CE3  1 
ATOM   4204 C  CZ2  . TRP   C 1 15  ? 7.168   0.127   5.624  1.00 22.21  ? 260 TRP   C CZ2  1 
ATOM   4205 C  CZ3  . TRP   C 1 15  ? 6.080   1.884   6.882  1.00 16.99  ? 260 TRP   C CZ3  1 
ATOM   4206 C  CH2  . TRP   C 1 15  ? 6.991   0.829   6.802  1.00 19.03  ? 260 TRP   C CH2  1 
ATOM   4207 H  H    . TRP   C 1 15  ? 3.217   1.721   0.638  1.00 26.61  ? 260 TRP   C H    1 
ATOM   4208 H  HA   . TRP   C 1 15  ? 2.183   1.437   3.116  1.00 23.63  ? 260 TRP   C HA   1 
ATOM   4209 H  HB2  . TRP   C 1 15  ? 4.149   3.227   2.161  1.00 21.29  ? 260 TRP   C HB2  1 
ATOM   4210 H  HB3  . TRP   C 1 15  ? 3.599   3.267   3.651  1.00 21.29  ? 260 TRP   C HB3  1 
ATOM   4211 H  HD1  . TRP   C 1 15  ? 5.223   0.593   1.632  1.00 24.94  ? 260 TRP   C HD1  1 
ATOM   4212 H  HE1  . TRP   C 1 15  ? 6.817   -0.633  2.958  1.00 27.19  ? 260 TRP   C HE1  1 
ATOM   4213 H  HE3  . TRP   C 1 15  ? 4.702   2.953   5.878  1.00 19.57  ? 260 TRP   C HE3  1 
ATOM   4214 H  HZ2  . TRP   C 1 15  ? 7.776   -0.575  5.562  1.00 26.68  ? 260 TRP   C HZ2  1 
ATOM   4215 H  HZ3  . TRP   C 1 15  ? 5.989   2.345   7.684  1.00 20.41  ? 260 TRP   C HZ3  1 
ATOM   4216 H  HH2  . TRP   C 1 15  ? 7.487   0.595   7.553  1.00 22.87  ? 260 TRP   C HH2  1 
ATOM   4217 N  N    . THR   C 1 16  ? 0.701   3.416   3.330  1.00 19.18  ? 261 THR   C N    1 
ATOM   4218 C  CA   . THR   C 1 16  ? -0.443  4.311   3.306  1.00 17.96  ? 261 THR   C CA   1 
ATOM   4219 C  C    . THR   C 1 16  ? -0.069  5.655   3.916  1.00 17.52  ? 261 THR   C C    1 
ATOM   4220 O  O    . THR   C 1 16  ? 0.428   5.723   5.039  1.00 17.36  ? 261 THR   C O    1 
ATOM   4221 C  CB   . THR   C 1 16  ? -1.624  3.680   4.062  1.00 20.75  ? 261 THR   C CB   1 
ATOM   4222 O  OG1  . THR   C 1 16  ? -1.946  2.425   3.442  1.00 21.11  ? 261 THR   C OG1  1 
ATOM   4223 C  CG2  . THR   C 1 16  ? -2.810  4.582   4.034  1.00 24.15  ? 261 THR   C CG2  1 
ATOM   4224 H  H    . THR   C 1 16  ? 0.881   3.105   4.112  1.00 23.04  ? 261 THR   C H    1 
ATOM   4225 H  HA   . THR   C 1 16  ? -0.712  4.476   2.388  1.00 21.58  ? 261 THR   C HA   1 
ATOM   4226 H  HB   . THR   C 1 16  ? -1.388  3.535   4.992  1.00 24.93  ? 261 THR   C HB   1 
ATOM   4227 H  HG1  . THR   C 1 16  ? -2.468  1.988   3.934  1.00 25.36  ? 261 THR   C HG1  1 
ATOM   4228 H  HG21 . THR   C 1 16  ? -3.597  4.104   4.339  1.00 29.01  ? 261 THR   C HG21 1 
ATOM   4229 H  HG22 . THR   C 1 16  ? -2.661  5.345   4.615  1.00 29.01  ? 261 THR   C HG22 1 
ATOM   4230 H  HG23 . THR   C 1 16  ? -2.964  4.900   3.131  1.00 29.01  ? 261 THR   C HG23 1 
ATOM   4231 N  N    . PHE   C 1 17  ? -0.289  6.722   3.164  1.00 16.84  ? 262 PHE   C N    1 
ATOM   4232 C  CA   . PHE   C 1 17  ? 0.004   8.064   3.667  1.00 17.04  ? 262 PHE   C CA   1 
ATOM   4233 C  C    . PHE   C 1 17  ? -1.136  8.582   4.548  1.00 18.19  ? 262 PHE   C C    1 
ATOM   4234 O  O    . PHE   C 1 17  ? -2.309  8.566   4.138  1.00 20.75  ? 262 PHE   C O    1 
ATOM   4235 C  CB   . PHE   C 1 17  ? 0.222   9.025   2.494  1.00 20.19  ? 262 PHE   C CB   1 
ATOM   4236 C  CG   . PHE   C 1 17  ? 0.466   10.450  2.922  1.00 28.46  ? 262 PHE   C CG   1 
ATOM   4237 C  CD1  . PHE   C 1 17  ? -0.599  11.317  3.139  1.00 32.68  ? 262 PHE   C CD1  1 
ATOM   4238 C  CD2  . PHE   C 1 17  ? 1.755   10.925  3.112  1.00 29.80  ? 262 PHE   C CD2  1 
ATOM   4239 C  CE1  . PHE   C 1 17  ? -0.376  12.634  3.535  1.00 32.51  ? 262 PHE   C CE1  1 
ATOM   4240 C  CE2  . PHE   C 1 17  ? 1.986   12.237  3.494  1.00 29.24  ? 262 PHE   C CE2  1 
ATOM   4241 C  CZ   . PHE   C 1 17  ? 0.929   13.084  3.712  1.00 31.18  ? 262 PHE   C CZ   1 
ATOM   4242 H  H    . PHE   C 1 17  ? -0.605  6.701   2.364  1.00 20.24  ? 262 PHE   C H    1 
ATOM   4243 H  HA   . PHE   C 1 17  ? 0.809   8.027   4.208  1.00 20.47  ? 262 PHE   C HA   1 
ATOM   4244 H  HB2  . PHE   C 1 17  ? 0.995   8.730   1.987  1.00 24.25  ? 262 PHE   C HB2  1 
ATOM   4245 H  HB3  . PHE   C 1 17  ? -0.568  9.015   1.930  1.00 24.25  ? 262 PHE   C HB3  1 
ATOM   4246 H  HD1  . PHE   C 1 17  ? -1.470  11.014  3.019  1.00 39.24  ? 262 PHE   C HD1  1 
ATOM   4247 H  HD2  . PHE   C 1 17  ? 2.476   10.353  2.981  1.00 35.79  ? 262 PHE   C HD2  1 
ATOM   4248 H  HE1  . PHE   C 1 17  ? -1.094  13.208  3.679  1.00 39.04  ? 262 PHE   C HE1  1 
ATOM   4249 H  HE2  . PHE   C 1 17  ? 2.858   12.543  3.602  1.00 35.11  ? 262 PHE   C HE2  1 
ATOM   4250 H  HZ   . PHE   C 1 17  ? 1.084   13.961  3.979  1.00 37.45  ? 262 PHE   C HZ   1 
ATOM   4251 N  N    . PHE   C 1 18  ? -0.794  9.079   5.742  1.00 18.46  ? 263 PHE   C N    1 
ATOM   4252 C  CA   . PHE   C 1 18  ? -1.767  9.722   6.621  1.00 18.15  ? 263 PHE   C CA   1 
ATOM   4253 C  C    . PHE   C 1 18  ? -1.071  10.798  7.443  1.00 17.50  ? 263 PHE   C C    1 
ATOM   4254 O  O    . PHE   C 1 18  ? -0.159  10.514  8.243  1.00 18.45  ? 263 PHE   C O    1 
ATOM   4255 C  CB   . PHE   C 1 18  ? -2.433  8.686   7.533  1.00 18.08  ? 263 PHE   C CB   1 
ATOM   4256 C  CG   . PHE   C 1 18  ? -3.352  9.280   8.581  1.00 19.22  ? 263 PHE   C CG   1 
ATOM   4257 C  CD1  . PHE   C 1 18  ? -4.639  9.660   8.256  1.00 21.55  ? 263 PHE   C CD1  1 
ATOM   4258 C  CD2  . PHE   C 1 18  ? -2.917  9.453   9.874  1.00 18.99  ? 263 PHE   C CD2  1 
ATOM   4259 C  CE1  . PHE   C 1 18  ? -5.478  10.212  9.202  1.00 22.04  ? 263 PHE   C CE1  1 
ATOM   4260 C  CE2  . PHE   C 1 18  ? -3.759  10.012  10.821 1.00 20.24  ? 263 PHE   C CE2  1 
ATOM   4261 C  CZ   . PHE   C 1 18  ? -5.019  10.389  10.493 1.00 20.83  ? 263 PHE   C CZ   1 
ATOM   4262 H  H    . PHE   C 1 18  ? 0.002   9.055   6.065  1.00 22.18  ? 263 PHE   C H    1 
ATOM   4263 H  HA   . PHE   C 1 18  ? -2.450  10.155  6.085  1.00 21.81  ? 263 PHE   C HA   1 
ATOM   4264 H  HB2  . PHE   C 1 18  ? -2.961  8.085   6.986  1.00 21.72  ? 263 PHE   C HB2  1 
ATOM   4265 H  HB3  . PHE   C 1 18  ? -1.740  8.191   7.997  1.00 21.72  ? 263 PHE   C HB3  1 
ATOM   4266 H  HD1  . PHE   C 1 18  ? -4.945  9.543   7.385  1.00 25.89  ? 263 PHE   C HD1  1 
ATOM   4267 H  HD2  . PHE   C 1 18  ? -2.056  9.194   10.113 1.00 22.81  ? 263 PHE   C HD2  1 
ATOM   4268 H  HE1  . PHE   C 1 18  ? -6.344  10.463  8.973  1.00 26.47  ? 263 PHE   C HE1  1 
ATOM   4269 H  HE2  . PHE   C 1 18  ? -3.457  10.130  11.693 1.00 24.32  ? 263 PHE   C HE2  1 
ATOM   4270 H  HZ   . PHE   C 1 18  ? -5.574  10.766  11.136 1.00 25.03  ? 263 PHE   C HZ   1 
ATOM   4271 N  N    . GLN   C 1 19  ? -1.473  12.053  7.223  1.00 16.84  ? 264 GLN   C N    1 
ATOM   4272 C  CA   . GLN   C 1 19  ? -1.014  13.179  8.023  1.00 19.41  ? 264 GLN   C CA   1 
ATOM   4273 C  C    . GLN   C 1 19  ? 0.500   13.180  8.211  1.00 19.48  ? 264 GLN   C C    1 
ATOM   4274 O  O    . GLN   C 1 19  ? 1.031   13.309  9.330  1.00 19.63  ? 264 GLN   C O    1 
ATOM   4275 C  CB   . GLN   C 1 19  ? -1.727  13.206  9.377  1.00 22.08  ? 264 GLN   C CB   1 
ATOM   4276 C  CG   . GLN   C 1 19  ? -3.231  13.414  9.247  1.00 26.64  ? 264 GLN   C CG   1 
ATOM   4277 C  CD   . GLN   C 1 19  ? -3.925  13.691  10.578 1.00 31.11  ? 264 GLN   C CD   1 
ATOM   4278 O  OE1  . GLN   C 1 19  ? -3.340  13.529  11.663 1.00 32.42  ? 264 GLN   C OE1  1 
ATOM   4279 N  NE2  . GLN   C 1 19  ? -5.175  14.115  10.502 1.00 32.87  ? 264 GLN   C NE2  1 
ATOM   4280 H  H    . GLN   C 1 19  ? -2.023  12.276  6.601  1.00 20.23  ? 264 GLN   C H    1 
ATOM   4281 H  HA   . GLN   C 1 19  ? -1.234  13.989  7.537  1.00 23.32  ? 264 GLN   C HA   1 
ATOM   4282 H  HB2  . GLN   C 1 19  ? -1.579  12.361  9.829  1.00 26.52  ? 264 GLN   C HB2  1 
ATOM   4283 H  HB3  . GLN   C 1 19  ? -1.368  13.934  9.909  1.00 26.52  ? 264 GLN   C HB3  1 
ATOM   4284 H  HG2  . GLN   C 1 19  ? -3.393  14.172  8.664  1.00 32.00  ? 264 GLN   C HG2  1 
ATOM   4285 H  HG3  . GLN   C 1 19  ? -3.626  12.614  8.867  1.00 32.00  ? 264 GLN   C HG3  1 
ATOM   4286 H  HE21 . GLN   C 1 19  ? -5.548  14.219  9.734  1.00 39.48  ? 264 GLN   C HE21 1 
ATOM   4287 H  HE22 . GLN   C 1 19  ? -5.615  14.286  11.221 1.00 39.48  ? 264 GLN   C HE22 1 
ATOM   4288 N  N    . GLY   C 1 20  ? 1.215   13.074  7.091  1.00 20.54  ? 265 GLY   C N    1 
ATOM   4289 C  CA   . GLY   C 1 20  ? 2.650   13.255  7.107  1.00 20.87  ? 265 GLY   C CA   1 
ATOM   4290 C  C    . GLY   C 1 20  ? 3.476   12.051  7.498  1.00 21.36  ? 265 GLY   C C    1 
ATOM   4291 O  O    . GLY   C 1 20  ? 4.712   12.165  7.573  1.00 22.27  ? 265 GLY   C O    1 
ATOM   4292 H  H    . GLY   C 1 20  ? 0.886   12.899  6.316  1.00 24.67  ? 265 GLY   C H    1 
ATOM   4293 H  HA2  . GLY   C 1 20  ? 2.933   13.523  6.219  1.00 25.07  ? 265 GLY   C HA2  1 
ATOM   4294 H  HA3  . GLY   C 1 20  ? 2.860   13.965  7.734  1.00 25.07  ? 265 GLY   C HA3  1 
ATOM   4295 N  N    . ASN   C 1 21  ? 2.847   10.908  7.740  1.00 20.39  ? 266 ASN   C N    1 
ATOM   4296 C  CA   . ASN   C 1 21  ? 3.546   9.680   8.059  1.00 18.73  ? 266 ASN   C CA   1 
ATOM   4297 C  C    . ASN   C 1 21  ? 3.040   8.584   7.119  1.00 16.89  ? 266 ASN   C C    1 
ATOM   4298 O  O    . ASN   C 1 21  ? 2.002   8.745   6.454  1.00 16.24  ? 266 ASN   C O    1 
ATOM   4299 C  CB   . ASN   C 1 21  ? 3.339   9.263   9.510  1.00 20.88  ? 266 ASN   C CB   1 
ATOM   4300 C  CG   . ASN   C 1 21  ? 4.050   10.190  10.480 1.00 21.68  ? 266 ASN   C CG   1 
ATOM   4301 O  OD1  . ASN   C 1 21  ? 5.274   10.212  10.543 1.00 21.55  ? 266 ASN   C OD1  1 
ATOM   4302 N  ND2  . ASN   C 1 21  ? 3.276   10.984  11.210 1.00 21.91  ? 266 ASN   C ND2  1 
ATOM   4303 H  H    . ASN   C 1 21  ? 1.992   10.822  7.722  1.00 24.50  ? 266 ASN   C H    1 
ATOM   4304 H  HA   . ASN   C 1 21  ? 4.498   9.806   7.925  1.00 22.50  ? 266 ASN   C HA   1 
ATOM   4305 H  HB2  . ASN   C 1 21  ? 2.391   9.281   9.714  1.00 25.08  ? 266 ASN   C HB2  1 
ATOM   4306 H  HB3  . ASN   C 1 21  ? 3.689   8.367   9.637  1.00 25.08  ? 266 ASN   C HB3  1 
ATOM   4307 H  HD21 . ASN   C 1 21  ? 3.630   11.528  11.775 1.00 26.32  ? 266 ASN   C HD21 1 
ATOM   4308 H  HD22 . ASN   C 1 21  ? 2.421   10.955  11.119 1.00 26.32  ? 266 ASN   C HD22 1 
ATOM   4309 N  N    . CYS   C 1 22  ? 3.793   7.486   7.091  1.00 16.31  ? 267 CYS   C N    1 
ATOM   4310 C  CA   . CYS   C 1 22  ? 3.538   6.323   6.251  1.00 18.23  ? 267 CYS   C CA   1 
ATOM   4311 C  C    . CYS   C 1 22  ? 3.292   5.108   7.132  1.00 17.24  ? 267 CYS   C C    1 
ATOM   4312 O  O    . CYS   C 1 22  ? 4.028   4.886   8.093  1.00 16.46  ? 267 CYS   C O    1 
ATOM   4313 C  CB   . CYS   C 1 22  ? 4.725   6.066   5.312  1.00 19.97  ? 267 CYS   C CB   1 
ATOM   4314 S  SG   . CYS   C 1 22  ? 5.180   7.495   4.284  1.00 22.29  ? 267 CYS   C SG   1 
ATOM   4315 H  H    . CYS   C 1 22  ? 4.495   7.390   7.578  1.00 19.59  ? 267 CYS   C H    1 
ATOM   4316 H  HA   . CYS   C 1 22  ? 2.745   6.468   5.711  1.00 21.91  ? 267 CYS   C HA   1 
ATOM   4317 H  HB2  . CYS   C 1 22  ? 5.499   5.830   5.848  1.00 23.99  ? 267 CYS   C HB2  1 
ATOM   4318 H  HB3  . CYS   C 1 22  ? 4.498   5.335   4.717  1.00 23.99  ? 267 CYS   C HB3  1 
ATOM   4319 N  N    . TYR   C 1 23  ? 2.261   4.319   6.790  1.00 15.00  ? 268 TYR   C N    1 
ATOM   4320 C  CA   . TYR   C 1 23  ? 1.849   3.168   7.594  1.00 14.67  ? 268 TYR   C CA   1 
ATOM   4321 C  C    . TYR   C 1 23  ? 1.784   1.908   6.743  1.00 17.31  ? 268 TYR   C C    1 
ATOM   4322 O  O    . TYR   C 1 23  ? 1.394   1.944   5.581  1.00 16.28  ? 268 TYR   C O    1 
ATOM   4323 C  CB   . TYR   C 1 23  ? 0.462   3.374   8.229  1.00 13.80  ? 268 TYR   C CB   1 
ATOM   4324 C  CG   . TYR   C 1 23  ? 0.421   4.575   9.144  1.00 13.88  ? 268 TYR   C CG   1 
ATOM   4325 C  CD1  . TYR   C 1 23  ? 0.297   5.857   8.629  1.00 13.48  ? 268 TYR   C CD1  1 
ATOM   4326 C  CD2  . TYR   C 1 23  ? 0.557   4.427   10.513 1.00 14.77  ? 268 TYR   C CD2  1 
ATOM   4327 C  CE1  . TYR   C 1 23  ? 0.266   6.958   9.473  1.00 13.96  ? 268 TYR   C CE1  1 
ATOM   4328 C  CE2  . TYR   C 1 23  ? 0.562   5.528   11.368 1.00 14.84  ? 268 TYR   C CE2  1 
ATOM   4329 C  CZ   . TYR   C 1 23  ? 0.400   6.780   10.837 1.00 15.43  ? 268 TYR   C CZ   1 
ATOM   4330 O  OH   . TYR   C 1 23  ? 0.383   7.885   11.675 1.00 17.58  ? 268 TYR   C OH   1 
ATOM   4331 H  H    . TYR   C 1 23  ? 1.782   4.437   6.085  1.00 18.03  ? 268 TYR   C H    1 
ATOM   4332 H  HA   . TYR   C 1 23  ? 2.513   3.046   8.290  1.00 17.63  ? 268 TYR   C HA   1 
ATOM   4333 H  HB2  . TYR   C 1 23  ? -0.192  3.509   7.525  1.00 16.42  ? 268 TYR   C HB2  1 
ATOM   4334 H  HB3  . TYR   C 1 23  ? 0.232   2.589   8.750  1.00 16.42  ? 268 TYR   C HB3  1 
ATOM   4335 H  HD1  . TYR   C 1 23  ? 0.235   5.980   7.709  1.00 16.03  ? 268 TYR   C HD1  1 
ATOM   4336 H  HD2  . TYR   C 1 23  ? 0.647   3.573   10.871 1.00 17.75  ? 268 TYR   C HD2  1 
ATOM   4337 H  HE1  . TYR   C 1 23  ? 0.154   7.812   9.123  1.00 16.78  ? 268 TYR   C HE1  1 
ATOM   4338 H  HE2  . TYR   C 1 23  ? 0.672   5.414   12.284 1.00 17.84  ? 268 TYR   C HE2  1 
ATOM   4339 H  HH   . TYR   C 1 23  ? 0.548   7.649   12.464 1.00 21.13  ? 268 TYR   C HH   1 
ATOM   4340 N  N    . PHE   C 1 24  ? 2.113   0.774   7.366  1.00 19.27  ? 269 PHE   C N    1 
ATOM   4341 C  CA   . PHE   C 1 24  ? 2.110   -0.511  6.681  1.00 18.37  ? 269 PHE   C CA   1 
ATOM   4342 C  C    . PHE   C 1 24  ? 1.514   -1.554  7.609  1.00 17.90  ? 269 PHE   C C    1 
ATOM   4343 O  O    . PHE   C 1 24  ? 1.980   -1.702  8.737  1.00 18.67  ? 269 PHE   C O    1 
ATOM   4344 C  CB   . PHE   C 1 24  ? 3.524   -0.892  6.257  1.00 19.92  ? 269 PHE   C CB   1 
ATOM   4345 C  CG   . PHE   C 1 24  ? 3.628   -2.283  5.671  1.00 25.26  ? 269 PHE   C CG   1 
ATOM   4346 C  CD1  . PHE   C 1 24  ? 3.381   -2.506  4.324  1.00 28.35  ? 269 PHE   C CD1  1 
ATOM   4347 C  CD2  . PHE   C 1 24  ? 3.960   -3.341  6.470  1.00 28.30  ? 269 PHE   C CD2  1 
ATOM   4348 C  CE1  . PHE   C 1 24  ? 3.465   -3.789  3.798  1.00 29.34  ? 269 PHE   C CE1  1 
ATOM   4349 C  CE2  . PHE   C 1 24  ? 4.042   -4.629  5.949  1.00 30.03  ? 269 PHE   C CE2  1 
ATOM   4350 C  CZ   . PHE   C 1 24  ? 3.798   -4.839  4.619  1.00 29.07  ? 269 PHE   C CZ   1 
ATOM   4351 H  H    . PHE   C 1 24  ? 2.344   0.728   8.193  1.00 23.15  ? 269 PHE   C H    1 
ATOM   4352 H  HA   . PHE   C 1 24  ? 1.556   -0.476  5.885  1.00 22.07  ? 269 PHE   C HA   1 
ATOM   4353 H  HB2  . PHE   C 1 24  ? 3.828   -0.263  5.585  1.00 23.93  ? 269 PHE   C HB2  1 
ATOM   4354 H  HB3  . PHE   C 1 24  ? 4.104   -0.853  7.034  1.00 23.93  ? 269 PHE   C HB3  1 
ATOM   4355 H  HD1  . PHE   C 1 24  ? 3.158   -1.793  3.770  1.00 34.05  ? 269 PHE   C HD1  1 
ATOM   4356 H  HD2  . PHE   C 1 24  ? 4.132   -3.198  7.373  1.00 33.99  ? 269 PHE   C HD2  1 
ATOM   4357 H  HE1  . PHE   C 1 24  ? 3.297   -3.936  2.896  1.00 35.24  ? 269 PHE   C HE1  1 
ATOM   4358 H  HE2  . PHE   C 1 24  ? 4.263   -5.344  6.502  1.00 36.06  ? 269 PHE   C HE2  1 
ATOM   4359 H  HZ   . PHE   C 1 24  ? 3.857   -5.699  4.269  1.00 34.91  ? 269 PHE   C HZ   1 
ATOM   4360 N  N    . MET   C 1 25  ? 0.495   -2.266  7.139  1.00 18.37  ? 270 MET   C N    1 
ATOM   4361 C  CA   . MET   C 1 25  ? -0.070  -3.408  7.863  1.00 21.72  ? 270 MET   C CA   1 
ATOM   4362 C  C    . MET   C 1 25  ? 0.461   -4.692  7.243  1.00 22.00  ? 270 MET   C C    1 
ATOM   4363 O  O    . MET   C 1 25  ? 0.427   -4.851  6.019  1.00 24.56  ? 270 MET   C O    1 
ATOM   4364 C  CB   . MET   C 1 25  ? -1.600  -3.399  7.828  1.00 27.63  ? 270 MET   C CB   1 
ATOM   4365 C  CG   . MET   C 1 25  ? -2.247  -4.543  8.624  1.00 33.28  ? 270 MET   C CG   1 
ATOM   4366 S  SD   . MET   C 1 25  ? -4.068  -4.479  8.683  1.00 37.10  ? 270 MET   C SD   1 
ATOM   4367 C  CE   . MET   C 1 25  ? -4.363  -4.344  10.433 1.00 39.67  ? 270 MET   C CE   1 
ATOM   4368 H  H    . MET   C 1 25  ? 0.105   -2.104  6.390  1.00 22.08  ? 270 MET   C H    1 
ATOM   4369 H  HA   . MET   C 1 25  ? 0.196   -3.355  8.794  1.00 26.10  ? 270 MET   C HA   1 
ATOM   4370 H  HB2  . MET   C 1 25  ? -1.915  -2.562  8.204  1.00 33.18  ? 270 MET   C HB2  1 
ATOM   4371 H  HB3  . MET   C 1 25  ? -1.891  -3.480  6.906  1.00 33.18  ? 270 MET   C HB3  1 
ATOM   4372 H  HG2  . MET   C 1 25  ? -1.996  -5.386  8.216  1.00 39.96  ? 270 MET   C HG2  1 
ATOM   4373 H  HG3  . MET   C 1 25  ? -1.923  -4.507  9.538  1.00 39.96  ? 270 MET   C HG3  1 
ATOM   4374 H  HE1  . MET   C 1 25  ? -5.315  -4.429  10.600 1.00 47.63  ? 270 MET   C HE1  1 
ATOM   4375 H  HE2  . MET   C 1 25  ? -3.882  -5.051  10.890 1.00 47.63  ? 270 MET   C HE2  1 
ATOM   4376 H  HE3  . MET   C 1 25  ? -4.049  -3.479  10.740 1.00 47.63  ? 270 MET   C HE3  1 
ATOM   4377 N  N    . SER   C 1 26  ? 0.921   -5.609  8.088  1.00 20.36  ? 271 SER   C N    1 
ATOM   4378 C  CA   . SER   C 1 26  ? 1.544   -6.855  7.624  1.00 21.31  ? 271 SER   C CA   1 
ATOM   4379 C  C    . SER   C 1 26  ? 0.506   -7.801  6.988  1.00 24.37  ? 271 SER   C C    1 
ATOM   4380 O  O    . SER   C 1 26  ? -0.706  -7.670  7.168  1.00 23.07  ? 271 SER   C O    1 
ATOM   4381 C  CB   . SER   C 1 26  ? 2.185   -7.590  8.806  1.00 19.95  ? 271 SER   C CB   1 
ATOM   4382 O  OG   . SER   C 1 26  ? 1.193   -8.007  9.740  1.00 18.51  ? 271 SER   C OG   1 
ATOM   4383 H  H    . SER   C 1 26  ? 0.887   -5.539  8.945  1.00 24.46  ? 271 SER   C H    1 
ATOM   4384 H  HA   . SER   C 1 26  ? 2.215   -6.634  6.960  1.00 25.60  ? 271 SER   C HA   1 
ATOM   4385 H  HB2  . SER   C 1 26  ? 2.656   -8.371  8.475  1.00 23.96  ? 271 SER   C HB2  1 
ATOM   4386 H  HB3  . SER   C 1 26  ? 2.806   -6.992  9.250  1.00 23.96  ? 271 SER   C HB3  1 
ATOM   4387 H  HG   . SER   C 1 26  ? 1.533   -8.525  10.307 1.00 22.24  ? 271 SER   C HG   1 
ATOM   4388 N  N    . ASN   C 1 27  ? 1.009   -8.730  6.185  1.00 32.05  ? 272 ASN   C N    1 
ATOM   4389 C  CA   . ASN   C 1 27  ? 0.205   -9.819  5.648  1.00 42.82  ? 272 ASN   C CA   1 
ATOM   4390 C  C    . ASN   C 1 27  ? 0.582   -11.161 6.271  1.00 38.96  ? 272 ASN   C C    1 
ATOM   4391 O  O    . ASN   C 1 27  ? 0.157   -12.204 5.776  1.00 41.18  ? 272 ASN   C O    1 
ATOM   4392 C  CB   . ASN   C 1 27  ? 0.345   -9.836  4.117  1.00 58.03  ? 272 ASN   C CB   1 
ATOM   4393 C  CG   . ASN   C 1 27  ? 1.742   -10.183 3.644  1.00 71.34  ? 272 ASN   C CG   1 
ATOM   4394 O  OD1  . ASN   C 1 27  ? 2.627   -10.468 4.456  1.00 79.80  ? 272 ASN   C OD1  1 
ATOM   4395 N  ND2  . ASN   C 1 27  ? 1.982   -10.041 2.341  1.00 72.37  ? 272 ASN   C ND2  1 
ATOM   4396 H  H    . ASN   C 1 27  ? 1.831   -8.751  5.933  1.00 38.49  ? 272 ASN   C H    1 
ATOM   4397 H  HA   . ASN   C 1 27  ? -0.734  -9.677  5.846  1.00 51.42  ? 272 ASN   C HA   1 
ATOM   4398 H  HB2  . ASN   C 1 27  ? -0.265  -10.498 3.754  1.00 69.66  ? 272 ASN   C HB2  1 
ATOM   4399 H  HB3  . ASN   C 1 27  ? 0.123   -8.957  3.772  1.00 69.66  ? 272 ASN   C HB3  1 
ATOM   4400 H  HD21 . ASN   C 1 27  ? 1.358   -9.766  1.816  1.00 86.87  ? 272 ASN   C HD21 1 
ATOM   4401 H  HD22 . ASN   C 1 27  ? 2.760   -10.225 2.024  1.00 86.87  ? 272 ASN   C HD22 1 
ATOM   4402 N  N    . SER   C 1 28  ? 1.395   -11.147 7.322  1.00 32.19  ? 273 SER   C N    1 
ATOM   4403 C  CA   . SER   C 1 28  ? 1.743   -12.314 8.103  1.00 29.43  ? 273 SER   C CA   1 
ATOM   4404 C  C    . SER   C 1 28  ? 1.650   -11.954 9.583  1.00 26.38  ? 273 SER   C C    1 
ATOM   4405 O  O    . SER   C 1 28  ? 1.457   -10.798 9.949  1.00 25.87  ? 273 SER   C O    1 
ATOM   4406 C  CB   . SER   C 1 28  ? 3.139   -12.813 7.754  1.00 31.82  ? 273 SER   C CB   1 
ATOM   4407 O  OG   . SER   C 1 28  ? 4.093   -11.854 8.156  1.00 35.52  ? 273 SER   C OG   1 
ATOM   4408 H  H    . SER   C 1 28  ? 1.773   -10.432 7.611  1.00 38.65  ? 273 SER   C H    1 
ATOM   4409 H  HA   . SER   C 1 28  ? 1.118   -13.034 7.924  1.00 35.35  ? 273 SER   C HA   1 
ATOM   4410 H  HB2  . SER   C 1 28  ? 3.307   -13.648 8.217  1.00 38.22  ? 273 SER   C HB2  1 
ATOM   4411 H  HB3  . SER   C 1 28  ? 3.202   -12.947 6.795  1.00 38.22  ? 273 SER   C HB3  1 
ATOM   4412 H  HG   . SER   C 1 28  ? 4.869   -12.146 8.020  1.00 42.65  ? 273 SER   C HG   1 
ATOM   4413 N  N    . GLN   C 1 29  ? 1.808   -12.958 10.444 1.00 24.39  ? 274 GLN   C N    1 
ATOM   4414 C  CA   . GLN   C 1 29  ? 1.690   -12.779 11.885 1.00 22.85  ? 274 GLN   C CA   1 
ATOM   4415 C  C    . GLN   C 1 29  ? 2.994   -13.146 12.569 1.00 23.33  ? 274 GLN   C C    1 
ATOM   4416 O  O    . GLN   C 1 29  ? 3.667   -14.095 12.179 1.00 22.94  ? 274 GLN   C O    1 
ATOM   4417 C  CB   . GLN   C 1 29  ? 0.539   -13.624 12.424 1.00 24.91  ? 274 GLN   C CB   1 
ATOM   4418 C  CG   . GLN   C 1 29  ? -0.771  -13.350 11.734 1.00 29.01  ? 274 GLN   C CG   1 
ATOM   4419 C  CD   . GLN   C 1 29  ? -1.862  -14.317 12.145 1.00 34.96  ? 274 GLN   C CD   1 
ATOM   4420 O  OE1  . GLN   C 1 29  ? -2.630  -14.059 13.063 1.00 36.32  ? 274 GLN   C OE1  1 
ATOM   4421 N  NE2  . GLN   C 1 29  ? -1.929  -15.438 11.456 1.00 38.10  ? 274 GLN   C NE2  1 
ATOM   4422 H  H    . GLN   C 1 29  ? 1.988   -13.765 10.209 1.00 29.29  ? 274 GLN   C H    1 
ATOM   4423 H  HA   . GLN   C 1 29  ? 1.516   -11.848 12.093 1.00 27.44  ? 274 GLN   C HA   1 
ATOM   4424 H  HB2  . GLN   C 1 29  ? 0.752   -14.562 12.298 1.00 29.92  ? 274 GLN   C HB2  1 
ATOM   4425 H  HB3  . GLN   C 1 29  ? 0.425   -13.434 13.368 1.00 29.92  ? 274 GLN   C HB3  1 
ATOM   4426 H  HG2  . GLN   C 1 29  ? -1.064  -12.453 11.959 1.00 34.84  ? 274 GLN   C HG2  1 
ATOM   4427 H  HG3  . GLN   C 1 29  ? -0.646  -13.428 10.776 1.00 34.84  ? 274 GLN   C HG3  1 
ATOM   4428 H  HE21 . GLN   C 1 29  ? -1.372  -15.584 10.817 1.00 45.74  ? 274 GLN   C HE21 1 
ATOM   4429 H  HE22 . GLN   C 1 29  ? -2.529  -16.024 11.646 1.00 45.74  ? 274 GLN   C HE22 1 
ATOM   4430 N  N    . ARG   C 1 30  ? 3.354   -12.366 13.571 1.00 24.67  ? 275 ARG   C N    1 
ATOM   4431 C  CA   . ARG   C 1 30  ? 4.543   -12.605 14.375 1.00 27.15  ? 275 ARG   C CA   1 
ATOM   4432 C  C    . ARG   C 1 30  ? 4.238   -12.228 15.819 1.00 23.36  ? 275 ARG   C C    1 
ATOM   4433 O  O    . ARG   C 1 30  ? 3.269   -11.507 16.105 1.00 23.19  ? 275 ARG   C O    1 
ATOM   4434 C  CB   . ARG   C 1 30  ? 5.752   -11.787 13.903 1.00 31.97  ? 275 ARG   C CB   1 
ATOM   4435 C  CG   . ARG   C 1 30  ? 6.224   -12.107 12.498 1.00 35.21  ? 275 ARG   C CG   1 
ATOM   4436 C  CD   . ARG   C 1 30  ? 7.448   -11.251 12.173 1.00 37.43  ? 275 ARG   C CD   1 
ATOM   4437 N  NE   . ARG   C 1 30  ? 7.907   -11.448 10.810 1.00 42.10  ? 275 ARG   C NE   1 
ATOM   4438 C  CZ   . ARG   C 1 30  ? 9.136   -11.157 10.388 1.00 46.27  ? 275 ARG   C CZ   1 
ATOM   4439 N  NH1  . ARG   C 1 30  ? 10.048  -10.681 11.242 1.00 45.34  ? 275 ARG   C NH1  1 
ATOM   4440 N  NH2  . ARG   C 1 30  ? 9.447   -11.354 9.112  1.00 49.47  ? 275 ARG   C NH2  1 
ATOM   4441 H  H    . ARG   C 1 30  ? 2.914   -11.669 13.815 1.00 29.64  ? 275 ARG   C H    1 
ATOM   4442 H  HA   . ARG   C 1 30  ? 4.769   -13.547 14.317 1.00 32.60  ? 275 ARG   C HA   1 
ATOM   4443 H  HB2  . ARG   C 1 30  ? 5.514   -10.846 13.925 1.00 38.39  ? 275 ARG   C HB2  1 
ATOM   4444 H  HB3  . ARG   C 1 30  ? 6.493   -11.955 14.506 1.00 38.39  ? 275 ARG   C HB3  1 
ATOM   4445 H  HG2  . ARG   C 1 30  ? 6.470   -13.043 12.438 1.00 42.29  ? 275 ARG   C HG2  1 
ATOM   4446 H  HG3  . ARG   C 1 30  ? 5.522   -11.906 11.860 1.00 42.29  ? 275 ARG   C HG3  1 
ATOM   4447 H  HD2  . ARG   C 1 30  ? 7.220   -10.315 12.283 1.00 44.94  ? 275 ARG   C HD2  1 
ATOM   4448 H  HD3  . ARG   C 1 30  ? 8.172   -11.489 12.773 1.00 44.94  ? 275 ARG   C HD3  1 
ATOM   4449 H  HE   . ARG   C 1 30  ? 7.351   -11.772 10.239 1.00 50.54  ? 275 ARG   C HE   1 
ATOM   4450 H  HH11 . ARG   C 1 30  ? 9.841   -10.561 12.069 1.00 54.44  ? 275 ARG   C HH11 1 
ATOM   4451 H  HH12 . ARG   C 1 30  ? 10.840  -10.495 10.965 1.00 54.44  ? 275 ARG   C HH12 1 
ATOM   4452 H  HH21 . ARG   C 1 30  ? 8.857   -11.666 8.569  1.00 59.39  ? 275 ARG   C HH21 1 
ATOM   4453 H  HH22 . ARG   C 1 30  ? 10.238  -11.170 8.829  1.00 59.39  ? 275 ARG   C HH22 1 
ATOM   4454 N  N    . ASN   C 1 31  ? 5.095   -12.675 16.736 1.00 21.88  ? 276 ASN   C N    1 
ATOM   4455 C  CA   . ASN   C 1 31  ? 4.929   -12.238 18.114 1.00 21.34  ? 276 ASN   C CA   1 
ATOM   4456 C  C    . ASN   C 1 31  ? 5.400   -10.798 18.240 1.00 21.20  ? 276 ASN   C C    1 
ATOM   4457 O  O    . ASN   C 1 31  ? 5.914   -10.210 17.303 1.00 20.10  ? 276 ASN   C O    1 
ATOM   4458 C  CB   . ASN   C 1 31  ? 5.643   -13.189 19.084 1.00 25.57  ? 276 ASN   C CB   1 
ATOM   4459 C  CG   . ASN   C 1 31  ? 7.169   -13.134 18.980 1.00 28.57  ? 276 ASN   C CG   1 
ATOM   4460 O  OD1  . ASN   C 1 31  ? 7.754   -12.122 18.674 1.00 28.45  ? 276 ASN   C OD1  1 
ATOM   4461 N  ND2  . ASN   C 1 31  ? 7.807   -14.274 19.261 1.00 31.33  ? 276 ASN   C ND2  1 
ATOM   4462 H  H    . ASN   C 1 31  ? 5.753   -13.209 16.589 1.00 26.29  ? 276 ASN   C H    1 
ATOM   4463 H  HA   . ASN   C 1 31  ? 3.994   -12.262 18.371 1.00 25.64  ? 276 ASN   C HA   1 
ATOM   4464 H  HB2  . ASN   C 1 31  ? 5.399   -12.951 19.992 1.00 30.71  ? 276 ASN   C HB2  1 
ATOM   4465 H  HB3  . ASN   C 1 31  ? 5.365   -14.098 18.893 1.00 30.71  ? 276 ASN   C HB3  1 
ATOM   4466 H  HD21 . ASN   C 1 31  ? 8.665   -14.308 19.221 1.00 37.63  ? 276 ASN   C HD21 1 
ATOM   4467 H  HD22 . ASN   C 1 31  ? 7.359   -14.974 19.482 1.00 37.63  ? 276 ASN   C HD22 1 
ATOM   4468 N  N    . TRP   C 1 32  ? 5.182   -10.227 19.418 1.00 21.68  ? 277 TRP   C N    1 
ATOM   4469 C  CA   . TRP   C 1 32  ? 5.358   -8.784  19.603 1.00 22.41  ? 277 TRP   C CA   1 
ATOM   4470 C  C    . TRP   C 1 32  ? 6.805   -8.366  19.423 1.00 22.68  ? 277 TRP   C C    1 
ATOM   4471 O  O    . TRP   C 1 32  ? 7.091   -7.382  18.732 1.00 21.65  ? 277 TRP   C O    1 
ATOM   4472 C  CB   . TRP   C 1 32  ? 4.858   -8.370  20.989 1.00 21.26  ? 277 TRP   C CB   1 
ATOM   4473 C  CG   . TRP   C 1 32  ? 4.786   -6.903  21.192 1.00 21.20  ? 277 TRP   C CG   1 
ATOM   4474 C  CD1  . TRP   C 1 32  ? 3.815   -6.052  20.734 1.00 20.05  ? 277 TRP   C CD1  1 
ATOM   4475 C  CD2  . TRP   C 1 32  ? 5.685   -6.106  21.960 1.00 23.08  ? 277 TRP   C CD2  1 
ATOM   4476 N  NE1  . TRP   C 1 32  ? 4.074   -4.773  21.154 1.00 19.93  ? 277 TRP   C NE1  1 
ATOM   4477 C  CE2  . TRP   C 1 32  ? 5.214   -4.778  21.912 1.00 22.58  ? 277 TRP   C CE2  1 
ATOM   4478 C  CE3  . TRP   C 1 32  ? 6.856   -6.390  22.684 1.00 28.01  ? 277 TRP   C CE3  1 
ATOM   4479 C  CZ2  . TRP   C 1 32  ? 5.870   -3.730  22.552 1.00 26.01  ? 277 TRP   C CZ2  1 
ATOM   4480 C  CZ3  . TRP   C 1 32  ? 7.498   -5.359  23.330 1.00 30.07  ? 277 TRP   C CZ3  1 
ATOM   4481 C  CH2  . TRP   C 1 32  ? 7.007   -4.039  23.257 1.00 29.03  ? 277 TRP   C CH2  1 
ATOM   4482 H  H    . TRP   C 1 32  ? 4.933   -10.645 20.128 1.00 26.05  ? 277 TRP   C H    1 
ATOM   4483 H  HA   . TRP   C 1 32  ? 4.828   -8.326  18.932 1.00 26.92  ? 277 TRP   C HA   1 
ATOM   4484 H  HB2  . TRP   C 1 32  ? 3.966   -8.730  21.119 1.00 25.54  ? 277 TRP   C HB2  1 
ATOM   4485 H  HB3  . TRP   C 1 32  ? 5.461   -8.731  21.658 1.00 25.54  ? 277 TRP   C HB3  1 
ATOM   4486 H  HD1  . TRP   C 1 32  ? 3.087   -6.305  20.213 1.00 24.09  ? 277 TRP   C HD1  1 
ATOM   4487 H  HE1  . TRP   C 1 32  ? 3.598   -4.080  20.971 1.00 23.94  ? 277 TRP   C HE1  1 
ATOM   4488 H  HE3  . TRP   C 1 32  ? 7.191   -7.257  22.725 1.00 33.64  ? 277 TRP   C HE3  1 
ATOM   4489 H  HZ2  . TRP   C 1 32  ? 5.552   -2.857  22.505 1.00 31.24  ? 277 TRP   C HZ2  1 
ATOM   4490 H  HZ3  . TRP   C 1 32  ? 8.266   -5.535  23.824 1.00 36.12  ? 277 TRP   C HZ3  1 
ATOM   4491 H  HH2  . TRP   C 1 32  ? 7.466   -3.360  23.697 1.00 34.86  ? 277 TRP   C HH2  1 
ATOM   4492 N  N    . HIS   C 1 33  ? 7.730   -9.086  20.054 1.00 24.81  ? 278 HIS   C N    1 
ATOM   4493 C  CA   . HIS   C 1 33  ? 9.142   -8.731  19.933 1.00 28.29  ? 278 HIS   C CA   1 
ATOM   4494 C  C    . HIS   C 1 33  ? 9.636   -8.906  18.504 1.00 28.47  ? 278 HIS   C C    1 
ATOM   4495 O  O    . HIS   C 1 33  ? 10.447  -8.110  18.016 1.00 27.69  ? 278 HIS   C O    1 
ATOM   4496 C  CB   . HIS   C 1 33  ? 9.976   -9.576  20.898 1.00 30.50  ? 278 HIS   C CB   1 
ATOM   4497 C  CG   . HIS   C 1 33  ? 9.740   -9.256  22.339 1.00 33.72  ? 278 HIS   C CG   1 
ATOM   4498 N  ND1  . HIS   C 1 33  ? 8.827   -9.945  23.111 1.00 33.88  ? 278 HIS   C ND1  1 
ATOM   4499 C  CD2  . HIS   C 1 33  ? 10.283  -8.312  23.145 1.00 34.73  ? 278 HIS   C CD2  1 
ATOM   4500 C  CE1  . HIS   C 1 33  ? 8.820   -9.441  24.332 1.00 35.11  ? 278 HIS   C CE1  1 
ATOM   4501 N  NE2  . HIS   C 1 33  ? 9.691   -8.448  24.377 1.00 34.58  ? 278 HIS   C NE2  1 
ATOM   4502 H  H    . HIS   C 1 33  ? 7.572   -9.772  20.548 1.00 29.80  ? 278 HIS   C H    1 
ATOM   4503 H  HA   . HIS   C 1 33  ? 9.252   -7.798  20.175 1.00 33.98  ? 278 HIS   C HA   1 
ATOM   4504 H  HB2  . HIS   C 1 33  ? 9.757   -10.511 20.763 1.00 36.63  ? 278 HIS   C HB2  1 
ATOM   4505 H  HB3  . HIS   C 1 33  ? 10.916  -9.425  20.712 1.00 36.63  ? 278 HIS   C HB3  1 
ATOM   4506 H  HD2  . HIS   C 1 33  ? 10.933  -7.691  22.908 1.00 41.71  ? 278 HIS   C HD2  1 
ATOM   4507 H  HE1  . HIS   C 1 33  ? 8.292   -9.735  25.039 1.00 42.16  ? 278 HIS   C HE1  1 
ATOM   4508 H  HE2  . HIS   C 1 33  ? 9.860   -7.964  25.068 1.00 41.52  ? 278 HIS   C HE2  1 
ATOM   4509 N  N    . ASP   C 1 34  ? 9.161   -9.944  17.809 1.00 27.88  ? 279 ASP   C N    1 
ATOM   4510 C  CA   . ASP   C 1 34  ? 9.551   -10.127 16.419 1.00 28.27  ? 279 ASP   C CA   1 
ATOM   4511 C  C    . ASP   C 1 34  ? 8.913   -9.072  15.522 1.00 24.72  ? 279 ASP   C C    1 
ATOM   4512 O  O    . ASP   C 1 34  ? 9.462   -8.751  14.463 1.00 24.67  ? 279 ASP   C O    1 
ATOM   4513 C  CB   . ASP   C 1 34  ? 9.177   -11.522 15.943 1.00 32.11  ? 279 ASP   C CB   1 
ATOM   4514 C  CG   . ASP   C 1 34  ? 10.070  -12.610 16.537 1.00 34.89  ? 279 ASP   C CG   1 
ATOM   4515 O  OD1  . ASP   C 1 34  ? 11.129  -12.271 17.115 1.00 34.07  ? 279 ASP   C OD1  1 
ATOM   4516 O  OD2  . ASP   C 1 34  ? 9.696   -13.810 16.419 1.00 36.10  ? 279 ASP   C OD2  1 
ATOM   4517 H  H    . ASP   C 1 34  ? 8.623   -10.542 18.114 1.00 33.48  ? 279 ASP   C H    1 
ATOM   4518 H  HA   . ASP   C 1 34  ? 10.515  -10.042 16.352 1.00 33.95  ? 279 ASP   C HA   1 
ATOM   4519 H  HB2  . ASP   C 1 34  ? 8.262   -11.710 16.205 1.00 38.56  ? 279 ASP   C HB2  1 
ATOM   4520 H  HB3  . ASP   C 1 34  ? 9.261   -11.559 14.978 1.00 38.56  ? 279 ASP   C HB3  1 
ATOM   4521 N  N    . SER   C 1 35  ? 7.752   -8.531  15.924 1.00 23.33  ? 280 SER   C N    1 
ATOM   4522 C  CA   . SER   C 1 35  ? 7.137   -7.443  15.173 1.00 22.37  ? 280 SER   C CA   1 
ATOM   4523 C  C    . SER   C 1 35  ? 7.952   -6.162  15.298 1.00 21.46  ? 280 SER   C C    1 
ATOM   4524 O  O    . SER   C 1 35  ? 8.082   -5.398  14.337 1.00 18.94  ? 280 SER   C O    1 
ATOM   4525 C  CB   . SER   C 1 35  ? 5.705   -7.197  15.678 1.00 22.57  ? 280 SER   C CB   1 
ATOM   4526 O  OG   . SER   C 1 35  ? 4.856   -8.296  15.349 1.00 21.43  ? 280 SER   C OG   1 
ATOM   4527 H  H    . SER   C 1 35  ? 7.309   -8.774  16.620 1.00 28.03  ? 280 SER   C H    1 
ATOM   4528 H  HA   . SER   C 1 35  ? 7.096   -7.697  14.238 1.00 26.87  ? 280 SER   C HA   1 
ATOM   4529 H  HB2  . SER   C 1 35  ? 5.724   -7.091  16.642 1.00 27.11  ? 280 SER   C HB2  1 
ATOM   4530 H  HB3  . SER   C 1 35  ? 5.357   -6.393  15.263 1.00 27.11  ? 280 SER   C HB3  1 
ATOM   4531 H  HG   . SER   C 1 35  ? 5.134   -8.996  15.720 1.00 25.74  ? 280 SER   C HG   1 
ATOM   4532 N  N    . ILE   C 1 36  ? 8.475   -5.887  16.490 1.00 23.58  ? 281 ILE   C N    1 
ATOM   4533 C  CA   . ILE   C 1 36  ? 9.381   -4.757  16.671 1.00 24.93  ? 281 ILE   C CA   1 
ATOM   4534 C  C    . ILE   C 1 36  ? 10.527  -4.850  15.674 1.00 24.38  ? 281 ILE   C C    1 
ATOM   4535 O  O    . ILE   C 1 36  ? 10.825  -3.889  14.950 1.00 23.32  ? 281 ILE   C O    1 
ATOM   4536 C  CB   . ILE   C 1 36  ? 9.902   -4.715  18.125 1.00 27.21  ? 281 ILE   C CB   1 
ATOM   4537 C  CG1  . ILE   C 1 36  ? 8.756   -4.312  19.065 1.00 28.86  ? 281 ILE   C CG1  1 
ATOM   4538 C  CG2  . ILE   C 1 36  ? 11.047  -3.718  18.259 1.00 30.89  ? 281 ILE   C CG2  1 
ATOM   4539 C  CD1  . ILE   C 1 36  ? 9.156   -4.199  20.502 1.00 34.27  ? 281 ILE   C CD1  1 
ATOM   4540 H  H    . ILE   C 1 36  ? 8.323   -6.336  17.208 1.00 28.32  ? 281 ILE   C H    1 
ATOM   4541 H  HA   . ILE   C 1 36  ? 8.896   -3.934  16.503 1.00 29.95  ? 281 ILE   C HA   1 
ATOM   4542 H  HB   . ILE   C 1 36  ? 10.229  -5.597  18.361 1.00 32.68  ? 281 ILE   C HB   1 
ATOM   4543 H  HG12 . ILE   C 1 36  ? 8.414   -3.448  18.785 1.00 34.66  ? 281 ILE   C HG12 1 
ATOM   4544 H  HG13 . ILE   C 1 36  ? 8.055   -4.980  19.005 1.00 34.66  ? 281 ILE   C HG13 1 
ATOM   4545 H  HG21 . ILE   C 1 36  ? 11.339  -3.695  19.184 1.00 37.09  ? 281 ILE   C HG21 1 
ATOM   4546 H  HG22 . ILE   C 1 36  ? 11.779  -3.999  17.688 1.00 37.09  ? 281 ILE   C HG22 1 
ATOM   4547 H  HG23 . ILE   C 1 36  ? 10.735  -2.840  17.989 1.00 37.09  ? 281 ILE   C HG23 1 
ATOM   4548 H  HD11 . ILE   C 1 36  ? 8.360   -4.221  21.054 1.00 41.15  ? 281 ILE   C HD11 1 
ATOM   4549 H  HD12 . ILE   C 1 36  ? 9.736   -4.943  20.727 1.00 41.15  ? 281 ILE   C HD12 1 
ATOM   4550 H  HD13 . ILE   C 1 36  ? 9.627   -3.361  20.633 1.00 41.15  ? 281 ILE   C HD13 1 
ATOM   4551 N  N    . THR   C 1 37  ? 11.193  -6.016  15.621 1.00 25.29  ? 282 THR   C N    1 
ATOM   4552 C  CA   . THR   C 1 37  ? 12.348  -6.147  14.737 1.00 27.54  ? 282 THR   C CA   1 
ATOM   4553 C  C    . THR   C 1 37  ? 11.933  -6.062  13.273 1.00 26.99  ? 282 THR   C C    1 
ATOM   4554 O  O    . THR   C 1 37  ? 12.688  -5.535  12.449 1.00 28.47  ? 282 THR   C O    1 
ATOM   4555 C  CB   . THR   C 1 37  ? 13.105  -7.455  14.990 1.00 32.33  ? 282 THR   C CB   1 
ATOM   4556 O  OG1  . THR   C 1 37  ? 12.357  -8.539  14.459 1.00 39.94  ? 282 THR   C OG1  1 
ATOM   4557 C  CG2  . THR   C 1 37  ? 13.320  -7.669  16.464 1.00 28.58  ? 282 THR   C CG2  1 
ATOM   4558 H  H    . THR   C 1 37  ? 11.000  -6.722  16.073 1.00 30.37  ? 282 THR   C H    1 
ATOM   4559 H  HA   . THR   C 1 37  ? 12.959  -5.421  14.937 1.00 33.07  ? 282 THR   C HA   1 
ATOM   4560 H  HB   . THR   C 1 37  ? 13.975  -7.416  14.562 1.00 38.83  ? 282 THR   C HB   1 
ATOM   4561 H  HG1  . THR   C 1 37  ? 11.594  -8.561  14.810 1.00 47.95  ? 282 THR   C HG1  1 
ATOM   4562 H  HG21 . THR   C 1 37  ? 14.031  -8.313  16.605 1.00 34.32  ? 282 THR   C HG21 1 
ATOM   4563 H  HG22 . THR   C 1 37  ? 13.564  -6.832  16.888 1.00 34.32  ? 282 THR   C HG22 1 
ATOM   4564 H  HG23 . THR   C 1 37  ? 12.506  -8.003  16.872 1.00 34.32  ? 282 THR   C HG23 1 
ATOM   4565 N  N    . ALA   C 1 38  ? 10.737  -6.547  12.928 1.00 26.33  ? 283 ALA   C N    1 
ATOM   4566 C  CA   . ALA   C 1 38  ? 10.285  -6.446  11.540 1.00 25.95  ? 283 ALA   C CA   1 
ATOM   4567 C  C    . ALA   C 1 38  ? 10.195  -4.986  11.090 1.00 23.10  ? 283 ALA   C C    1 
ATOM   4568 O  O    . ALA   C 1 38  ? 10.560  -4.646  9.949  1.00 23.84  ? 283 ALA   C O    1 
ATOM   4569 C  CB   . ALA   C 1 38  ? 8.928   -7.127  11.360 1.00 25.72  ? 283 ALA   C CB   1 
ATOM   4570 H  H    . ALA   C 1 38  ? 10.181  -6.929  13.463 1.00 31.63  ? 283 ALA   C H    1 
ATOM   4571 H  HA   . ALA   C 1 38  ? 10.930  -6.906  10.981 1.00 31.17  ? 283 ALA   C HA   1 
ATOM   4572 H  HB1  . ALA   C 1 38  ? 8.650   -7.038  10.435 1.00 30.90  ? 283 ALA   C HB1  1 
ATOM   4573 H  HB2  . ALA   C 1 38  ? 9.012   -8.066  11.591 1.00 30.90  ? 283 ALA   C HB2  1 
ATOM   4574 H  HB3  . ALA   C 1 38  ? 8.280   -6.700  11.943 1.00 30.90  ? 283 ALA   C HB3  1 
ATOM   4575 N  N    . CYS   C 1 39  ? 9.701   -4.109  11.963 1.00 20.86  ? 284 CYS   C N    1 
ATOM   4576 C  CA   . CYS   C 1 39  ? 9.603   -2.711  11.575 1.00 20.50  ? 284 CYS   C CA   1 
ATOM   4577 C  C    . CYS   C 1 39  ? 10.979  -2.071  11.478 1.00 20.52  ? 284 CYS   C C    1 
ATOM   4578 O  O    . CYS   C 1 39  ? 11.258  -1.337  10.522 1.00 20.64  ? 284 CYS   C O    1 
ATOM   4579 C  CB   . CYS   C 1 39  ? 8.700   -1.954  12.557 1.00 23.09  ? 284 CYS   C CB   1 
ATOM   4580 S  SG   . CYS   C 1 39  ? 6.992   -2.534  12.565 1.00 23.73  ? 284 CYS   C SG   1 
ATOM   4581 H  H    . CYS   C 1 39  ? 9.426   -4.292  12.757 1.00 25.07  ? 284 CYS   C H    1 
ATOM   4582 H  HA   . CYS   C 1 39  ? 9.192   -2.652  10.699 1.00 24.62  ? 284 CYS   C HA   1 
ATOM   4583 H  HB2  . CYS   C 1 39  ? 9.054   -2.062  13.454 1.00 27.74  ? 284 CYS   C HB2  1 
ATOM   4584 H  HB3  . CYS   C 1 39  ? 8.693   -1.015  12.314 1.00 27.74  ? 284 CYS   C HB3  1 
ATOM   4585 N  N    . LYS   C 1 40  ? 11.853  -2.345  12.446 1.00 18.76  ? 285 LYS   C N    1 
ATOM   4586 C  CA   . LYS   C 1 40  ? 13.187  -1.767  12.401 1.00 22.32  ? 285 LYS   C CA   1 
ATOM   4587 C  C    . LYS   C 1 40  ? 13.903  -2.170  11.116 1.00 22.98  ? 285 LYS   C C    1 
ATOM   4588 O  O    . LYS   C 1 40  ? 14.685  -1.384  10.567 1.00 24.85  ? 285 LYS   C O    1 
ATOM   4589 C  CB   . LYS   C 1 40  ? 14.039  -2.215  13.596 1.00 26.20  ? 285 LYS   C CB   1 
ATOM   4590 C  CG   . LYS   C 1 40  ? 13.539  -1.728  14.960 1.00 31.22  ? 285 LYS   C CG   1 
ATOM   4591 C  CD   . LYS   C 1 40  ? 14.491  -2.205  16.068 1.00 38.49  ? 285 LYS   C CD   1 
ATOM   4592 C  CE   . LYS   C 1 40  ? 14.264  -1.505  17.401 1.00 46.26  ? 285 LYS   C CE   1 
ATOM   4593 N  NZ   . LYS   C 1 40  ? 14.018  -0.041  17.332 1.00 52.69  ? 285 LYS   C NZ   1 
ATOM   4594 H  H    . LYS   C 1 40  ? 11.701  -2.852  13.124 1.00 22.37  ? 285 LYS   C H    1 
ATOM   4595 H  HA   . LYS   C 1 40  ? 13.094  -0.803  12.449 1.00 26.81  ? 285 LYS   C HA   1 
ATOM   4596 H  HB2  . LYS   C 1 40  ? 14.051  -3.185  13.618 1.00 31.47  ? 285 LYS   C HB2  1 
ATOM   4597 H  HB3  . LYS   C 1 40  ? 14.940  -1.875  13.476 1.00 31.47  ? 285 LYS   C HB3  1 
ATOM   4598 H  HG2  . LYS   C 1 40  ? 13.509  -0.759  14.971 1.00 37.50  ? 285 LYS   C HG2  1 
ATOM   4599 H  HG3  . LYS   C 1 40  ? 12.655  -2.089  15.132 1.00 37.50  ? 285 LYS   C HG3  1 
ATOM   4600 H  HD2  . LYS   C 1 40  ? 14.360  -3.156  16.206 1.00 46.21  ? 285 LYS   C HD2  1 
ATOM   4601 H  HD3  . LYS   C 1 40  ? 15.405  -2.032  15.793 1.00 46.21  ? 285 LYS   C HD3  1 
ATOM   4602 H  HE2  . LYS   C 1 40  ? 13.491  -1.906  17.828 1.00 55.54  ? 285 LYS   C HE2  1 
ATOM   4603 H  HE3  . LYS   C 1 40  ? 15.052  -1.637  17.951 1.00 55.54  ? 285 LYS   C HE3  1 
ATOM   4604 H  HZ1  . LYS   C 1 40  ? 13.346  0.128   16.774 1.00 63.25  ? 285 LYS   C HZ1  1 
ATOM   4605 H  HZ2  . LYS   C 1 40  ? 13.810  0.271   18.139 1.00 63.25  ? 285 LYS   C HZ2  1 
ATOM   4606 H  HZ3  . LYS   C 1 40  ? 14.748  0.377   17.039 1.00 63.25  ? 285 LYS   C HZ3  1 
ATOM   4607 N  N    . GLU   C 1 41  ? 13.638  -3.384  10.616 1.00 23.53  ? 286 GLU   C N    1 
ATOM   4608 C  CA   . GLU   C 1 41  ? 14.318  -3.844  9.416  1.00 28.63  ? 286 GLU   C CA   1 
ATOM   4609 C  C    . GLU   C 1 41  ? 13.938  -3.057  8.167  1.00 31.53  ? 286 GLU   C C    1 
ATOM   4610 O  O    . GLU   C 1 41  ? 14.691  -3.084  7.188  1.00 34.88  ? 286 GLU   C O    1 
ATOM   4611 C  CB   . GLU   C 1 41  ? 14.044  -5.342  9.214  1.00 28.92  ? 286 GLU   C CB   1 
ATOM   4612 C  CG   . GLU   C 1 41  ? 14.770  -6.221  10.229 1.00 27.51  ? 286 GLU   C CG   1 
ATOM   4613 C  CD   . GLU   C 1 41  ? 14.343  -7.684  10.178 1.00 26.85  ? 286 GLU   C CD   1 
ATOM   4614 O  OE1  . GLU   C 1 41  ? 13.451  -8.028  9.378  1.00 27.69  ? 286 GLU   C OE1  1 
ATOM   4615 O  OE2  . GLU   C 1 41  ? 14.884  -8.489  10.971 1.00 26.41  ? 286 GLU   C OE2  1 
ATOM   4616 H  H    . GLU   C 1 41  ? 13.079  -3.945  10.951 1.00 28.27  ? 286 GLU   C H    1 
ATOM   4617 H  HA   . GLU   C 1 41  ? 15.273  -3.723  9.536  1.00 34.38  ? 286 GLU   C HA   1 
ATOM   4618 H  HB2  . GLU   C 1 41  ? 13.091  -5.503  9.304  1.00 34.73  ? 286 GLU   C HB2  1 
ATOM   4619 H  HB3  . GLU   C 1 41  ? 14.341  -5.600  8.327  1.00 34.73  ? 286 GLU   C HB3  1 
ATOM   4620 H  HG2  . GLU   C 1 41  ? 15.723  -6.182  10.052 1.00 33.05  ? 286 GLU   C HG2  1 
ATOM   4621 H  HG3  . GLU   C 1 41  ? 14.584  -5.888  11.121 1.00 33.05  ? 286 GLU   C HG3  1 
ATOM   4622 N  N    . VAL   C 1 42  ? 12.816  -2.332  8.177  1.00 29.60  ? 287 VAL   C N    1 
ATOM   4623 C  CA   . VAL   C 1 42  ? 12.446  -1.523  7.022  1.00 28.81  ? 287 VAL   C CA   1 
ATOM   4624 C  C    . VAL   C 1 42  ? 12.515  -0.048  7.397  1.00 32.10  ? 287 VAL   C C    1 
ATOM   4625 O  O    . VAL   C 1 42  ? 11.813  0.786   6.809  1.00 37.98  ? 287 VAL   C O    1 
ATOM   4626 C  CB   . VAL   C 1 42  ? 11.049  -1.898  6.494  1.00 26.45  ? 287 VAL   C CB   1 
ATOM   4627 C  CG1  . VAL   C 1 42  ? 11.041  -3.338  5.962  1.00 29.75  ? 287 VAL   C CG1  1 
ATOM   4628 C  CG2  . VAL   C 1 42  ? 9.987   -1.731  7.580  1.00 23.59  ? 287 VAL   C CG2  1 
ATOM   4629 H  H    . VAL   C 1 42  ? 12.263  -2.296  8.834  1.00 35.54  ? 287 VAL   C H    1 
ATOM   4630 H  HA   . VAL   C 1 42  ? 13.087  -1.684  6.311  1.00 34.60  ? 287 VAL   C HA   1 
ATOM   4631 H  HB   . VAL   C 1 42  ? 10.830  -1.298  5.765  1.00 31.77  ? 287 VAL   C HB   1 
ATOM   4632 H  HG11 . VAL   C 1 42  ? 10.163  -3.536  5.601  1.00 35.73  ? 287 VAL   C HG11 1 
ATOM   4633 H  HG12 . VAL   C 1 42  ? 11.712  -3.421  5.265  1.00 35.73  ? 287 VAL   C HG12 1 
ATOM   4634 H  HG13 . VAL   C 1 42  ? 11.244  -3.945  6.690  1.00 35.73  ? 287 VAL   C HG13 1 
ATOM   4635 H  HG21 . VAL   C 1 42  ? 9.117   -1.941  7.206  1.00 28.33  ? 287 VAL   C HG21 1 
ATOM   4636 H  HG22 . VAL   C 1 42  ? 10.186  -2.334  8.313  1.00 28.33  ? 287 VAL   C HG22 1 
ATOM   4637 H  HG23 . VAL   C 1 42  ? 9.998   -0.813  7.895  1.00 28.33  ? 287 VAL   C HG23 1 
ATOM   4638 N  N    . GLY   C 1 43  ? 13.364  0.285   8.365  1.00 28.54  ? 288 GLY   C N    1 
ATOM   4639 C  CA   . GLY   C 1 43  ? 13.544  1.667   8.769  1.00 26.07  ? 288 GLY   C CA   1 
ATOM   4640 C  C    . GLY   C 1 43  ? 12.298  2.294   9.361  1.00 23.89  ? 288 GLY   C C    1 
ATOM   4641 O  O    . GLY   C 1 43  ? 12.026  3.478   9.120  1.00 26.81  ? 288 GLY   C O    1 
ATOM   4642 H  H    . GLY   C 1 43  ? 13.849  -0.273  8.803  1.00 34.27  ? 288 GLY   C H    1 
ATOM   4643 H  HA2  . GLY   C 1 43  ? 14.249  1.712   9.435  1.00 31.31  ? 288 GLY   C HA2  1 
ATOM   4644 H  HA3  . GLY   C 1 43  ? 13.806  2.191   7.996  1.00 31.31  ? 288 GLY   C HA3  1 
ATOM   4645 N  N    . ALA   C 1 44  ? 11.551  1.537   10.156 1.00 19.07  ? 289 ALA   C N    1 
ATOM   4646 C  CA   . ALA   C 1 44  ? 10.288  1.978   10.701 1.00 19.48  ? 289 ALA   C CA   1 
ATOM   4647 C  C    . ALA   C 1 44  ? 10.200  1.572   12.173 1.00 20.27  ? 289 ALA   C C    1 
ATOM   4648 O  O    . ALA   C 1 44  ? 11.149  1.029   12.755 1.00 19.77  ? 289 ALA   C O    1 
ATOM   4649 C  CB   . ALA   C 1 44  ? 9.129   1.387   9.888  1.00 18.50  ? 289 ALA   C CB   1 
ATOM   4650 H  H    . ALA   C 1 44  ? 11.768  0.740   10.397 1.00 22.91  ? 289 ALA   C H    1 
ATOM   4651 H  HA   . ALA   C 1 44  ? 10.264  2.946   10.654 1.00 23.40  ? 289 ALA   C HA   1 
ATOM   4652 H  HB1  . ALA   C 1 44  ? 8.290   1.700   10.261 1.00 22.23  ? 289 ALA   C HB1  1 
ATOM   4653 H  HB2  . ALA   C 1 44  ? 9.210   1.678   8.966  1.00 22.23  ? 289 ALA   C HB2  1 
ATOM   4654 H  HB3  . ALA   C 1 44  ? 9.172   0.419   9.935  1.00 22.23  ? 289 ALA   C HB3  1 
ATOM   4655 N  N    . GLN   C 1 45  ? 9.025   1.800   12.763 1.00 19.96  ? 290 GLN   C N    1 
ATOM   4656 C  CA   . GLN   C 1 45  ? 8.803   1.548   14.178 1.00 20.86  ? 290 GLN   C CA   1 
ATOM   4657 C  C    . GLN   C 1 45  ? 7.412   0.973   14.374 1.00 18.41  ? 290 GLN   C C    1 
ATOM   4658 O  O    . GLN   C 1 45  ? 6.445   1.487   13.812 1.00 18.97  ? 290 GLN   C O    1 
ATOM   4659 C  CB   . GLN   C 1 45  ? 8.969   2.848   14.968 1.00 25.64  ? 290 GLN   C CB   1 
ATOM   4660 C  CG   . GLN   C 1 45  ? 8.807   2.737   16.470 1.00 30.72  ? 290 GLN   C CG   1 
ATOM   4661 C  CD   . GLN   C 1 45  ? 9.095   4.075   17.168 1.00 30.83  ? 290 GLN   C CD   1 
ATOM   4662 O  OE1  . GLN   C 1 45  ? 8.349   5.071   17.003 1.00 31.68  ? 290 GLN   C OE1  1 
ATOM   4663 N  NE2  . GLN   C 1 45  ? 10.192  4.113   17.927 1.00 27.54  ? 290 GLN   C NE2  1 
ATOM   4664 H  H    . GLN   C 1 45  ? 8.334   2.106   12.353 1.00 23.98  ? 290 GLN   C H    1 
ATOM   4665 H  HA   . GLN   C 1 45  ? 9.436   0.892   14.511 1.00 25.05  ? 290 GLN   C HA   1 
ATOM   4666 H  HB2  . GLN   C 1 45  ? 9.861   3.193   14.801 1.00 30.80  ? 290 GLN   C HB2  1 
ATOM   4667 H  HB3  . GLN   C 1 45  ? 8.305   3.481   14.654 1.00 30.80  ? 290 GLN   C HB3  1 
ATOM   4668 H  HG2  . GLN   C 1 45  ? 7.896   2.475   16.676 1.00 36.89  ? 290 GLN   C HG2  1 
ATOM   4669 H  HG3  . GLN   C 1 45  ? 9.427   2.074   16.812 1.00 36.89  ? 290 GLN   C HG3  1 
ATOM   4670 H  HE21 . GLN   C 1 45  ? 10.687  3.414   18.001 1.00 33.07  ? 290 GLN   C HE21 1 
ATOM   4671 H  HE22 . GLN   C 1 45  ? 10.403  4.836   18.342 1.00 33.07  ? 290 GLN   C HE22 1 
ATOM   4672 N  N    . LEU   C 1 46  ? 7.313   -0.091  15.168 1.00 18.48  ? 291 LEU   C N    1 
ATOM   4673 C  CA   . LEU   C 1 46  ? 6.010   -0.623  15.562 1.00 17.82  ? 291 LEU   C CA   1 
ATOM   4674 C  C    . LEU   C 1 46  ? 5.161   0.509   16.119 1.00 18.90  ? 291 LEU   C C    1 
ATOM   4675 O  O    . LEU   C 1 46  ? 5.609   1.229   17.017 1.00 22.53  ? 291 LEU   C O    1 
ATOM   4676 C  CB   . LEU   C 1 46  ? 6.202   -1.737  16.590 1.00 18.26  ? 291 LEU   C CB   1 
ATOM   4677 C  CG   . LEU   C 1 46  ? 4.944   -2.495  17.016 1.00 21.33  ? 291 LEU   C CG   1 
ATOM   4678 C  CD1  . LEU   C 1 46  ? 4.272   -3.171  15.826 1.00 23.11  ? 291 LEU   C CD1  1 
ATOM   4679 C  CD2  . LEU   C 1 46  ? 5.322   -3.530  18.092 1.00 23.14  ? 291 LEU   C CD2  1 
ATOM   4680 H  H    . LEU   C 1 46  ? 7.982   -0.523  15.492 1.00 22.21  ? 291 LEU   C H    1 
ATOM   4681 H  HA   . LEU   C 1 46  ? 5.547   -1.011  14.803 1.00 21.41  ? 291 LEU   C HA   1 
ATOM   4682 H  HB2  . LEU   C 1 46  ? 6.815   -2.389  16.215 1.00 21.93  ? 291 LEU   C HB2  1 
ATOM   4683 H  HB3  . LEU   C 1 46  ? 6.584   -1.345  17.391 1.00 21.93  ? 291 LEU   C HB3  1 
ATOM   4684 H  HG   . LEU   C 1 46  ? 4.300   -1.870  17.384 1.00 25.62  ? 291 LEU   C HG   1 
ATOM   4685 H  HD11 . LEU   C 1 46  ? 3.558   -3.742  16.150 1.00 27.76  ? 291 LEU   C HD11 1 
ATOM   4686 H  HD12 . LEU   C 1 46  ? 3.910   -2.489  15.239 1.00 27.76  ? 291 LEU   C HD12 1 
ATOM   4687 H  HD13 . LEU   C 1 46  ? 4.930   -3.701  15.351 1.00 27.76  ? 291 LEU   C HD13 1 
ATOM   4688 H  HD21 . LEU   C 1 46  ? 4.526   -4.022  18.349 1.00 27.80  ? 291 LEU   C HD21 1 
ATOM   4689 H  HD22 . LEU   C 1 46  ? 5.983   -4.139  17.726 1.00 27.80  ? 291 LEU   C HD22 1 
ATOM   4690 H  HD23 . LEU   C 1 46  ? 5.688   -3.067  18.861 1.00 27.80  ? 291 LEU   C HD23 1 
ATOM   4691 N  N    . VAL   C 1 47  ? 3.932   0.674   15.566 1.00 16.06  ? 292 VAL   C N    1 
ATOM   4692 C  CA   . VAL   C 1 47  ? 3.300   1.992   15.561 1.00 16.85  ? 292 VAL   C CA   1 
ATOM   4693 C  C    . VAL   C 1 47  ? 3.123   2.548   16.976 1.00 16.76  ? 292 VAL   C C    1 
ATOM   4694 O  O    . VAL   C 1 47  ? 2.518   1.906   17.858 1.00 17.80  ? 292 VAL   C O    1 
ATOM   4695 C  CB   . VAL   C 1 47  ? 1.943   1.937   14.840 1.00 18.48  ? 292 VAL   C CB   1 
ATOM   4696 C  CG1  . VAL   C 1 47  ? 0.958   1.028   15.550 1.00 19.53  ? 292 VAL   C CG1  1 
ATOM   4697 C  CG2  . VAL   C 1 47  ? 1.343   3.325   14.710 1.00 19.54  ? 292 VAL   C CG2  1 
ATOM   4698 H  H    . VAL   C 1 47  ? 3.466   0.051   15.201 1.00 19.31  ? 292 VAL   C H    1 
ATOM   4699 H  HA   . VAL   C 1 47  ? 3.902   2.586   15.086 1.00 20.25  ? 292 VAL   C HA   1 
ATOM   4700 H  HB   . VAL   C 1 47  ? 2.104   1.574   13.955 1.00 22.20  ? 292 VAL   C HB   1 
ATOM   4701 H  HG11 . VAL   C 1 47  ? 0.181   0.900   14.983 1.00 23.47  ? 292 VAL   C HG11 1 
ATOM   4702 H  HG12 . VAL   C 1 47  ? 1.385   0.174   15.723 1.00 23.47  ? 292 VAL   C HG12 1 
ATOM   4703 H  HG13 . VAL   C 1 47  ? 0.692   1.441   16.386 1.00 23.47  ? 292 VAL   C HG13 1 
ATOM   4704 H  HG21 . VAL   C 1 47  ? 0.584   3.286   14.108 1.00 23.48  ? 292 VAL   C HG21 1 
ATOM   4705 H  HG22 . VAL   C 1 47  ? 1.056   3.628   15.586 1.00 23.48  ? 292 VAL   C HG22 1 
ATOM   4706 H  HG23 . VAL   C 1 47  ? 2.016   3.928   14.356 1.00 23.48  ? 292 VAL   C HG23 1 
ATOM   4707 N  N    . VAL   C 1 48  ? 3.634   3.766   17.181 1.00 16.53  ? 293 VAL   C N    1 
ATOM   4708 C  CA   . VAL   C 1 48  ? 3.405   4.564   18.370 1.00 18.76  ? 293 VAL   C CA   1 
ATOM   4709 C  C    . VAL   C 1 48  ? 2.401   5.658   18.008 1.00 19.24  ? 293 VAL   C C    1 
ATOM   4710 O  O    . VAL   C 1 48  ? 2.618   6.421   17.060 1.00 18.49  ? 293 VAL   C O    1 
ATOM   4711 C  CB   . VAL   C 1 48  ? 4.718   5.179   18.879 1.00 21.13  ? 293 VAL   C CB   1 
ATOM   4712 C  CG1  . VAL   C 1 48  ? 4.443   6.229   19.939 1.00 23.83  ? 293 VAL   C CG1  1 
ATOM   4713 C  CG2  . VAL   C 1 48  ? 5.648   4.084   19.410 1.00 19.14  ? 293 VAL   C CG2  1 
ATOM   4714 H  H    . VAL   C 1 48  ? 4.141   4.162   16.610 1.00 19.87  ? 293 VAL   C H    1 
ATOM   4715 H  HA   . VAL   C 1 48  ? 3.027   4.010   19.071 1.00 22.54  ? 293 VAL   C HA   1 
ATOM   4716 H  HB   . VAL   C 1 48  ? 5.168   5.621   18.142 1.00 25.38  ? 293 VAL   C HB   1 
ATOM   4717 H  HG11 . VAL   C 1 48  ? 5.244   6.357   20.471 1.00 28.62  ? 293 VAL   C HG11 1 
ATOM   4718 H  HG12 . VAL   C 1 48  ? 4.198   7.060   19.504 1.00 28.62  ? 293 VAL   C HG12 1 
ATOM   4719 H  HG13 . VAL   C 1 48  ? 3.716   5.924   20.504 1.00 28.62  ? 293 VAL   C HG13 1 
ATOM   4720 H  HG21 . VAL   C 1 48  ? 6.462   4.494   19.743 1.00 22.99  ? 293 VAL   C HG21 1 
ATOM   4721 H  HG22 . VAL   C 1 48  ? 5.200   3.609   20.128 1.00 22.99  ? 293 VAL   C HG22 1 
ATOM   4722 H  HG23 . VAL   C 1 48  ? 5.859   3.471   18.689 1.00 22.99  ? 293 VAL   C HG23 1 
ATOM   4723 N  N    . ILE   C 1 49  ? 1.294   5.716   18.738 1.00 20.85  ? 294 ILE   C N    1 
ATOM   4724 C  CA   . ILE   C 1 49  ? 0.188   6.616   18.423 1.00 20.12  ? 294 ILE   C CA   1 
ATOM   4725 C  C    . ILE   C 1 49  ? 0.369   7.937   19.165 1.00 18.80  ? 294 ILE   C C    1 
ATOM   4726 O  O    . ILE   C 1 49  ? 0.605   7.947   20.384 1.00 19.91  ? 294 ILE   C O    1 
ATOM   4727 C  CB   . ILE   C 1 49  ? -1.157  5.976   18.800 1.00 18.82  ? 294 ILE   C CB   1 
ATOM   4728 C  CG1  . ILE   C 1 49  ? -1.292  4.586   18.176 1.00 18.44  ? 294 ILE   C CG1  1 
ATOM   4729 C  CG2  . ILE   C 1 49  ? -2.310  6.883   18.362 1.00 20.01  ? 294 ILE   C CG2  1 
ATOM   4730 C  CD1  . ILE   C 1 49  ? -2.592  3.884   18.530 1.00 18.56  ? 294 ILE   C CD1  1 
ATOM   4731 H  H    . ILE   C 1 49  ? 1.156   5.233   19.436 1.00 25.05  ? 294 ILE   C H    1 
ATOM   4732 H  HA   . ILE   C 1 49  ? 0.204   6.799   17.471 1.00 24.18  ? 294 ILE   C HA   1 
ATOM   4733 H  HB   . ILE   C 1 49  ? -1.188  5.874   19.764 1.00 22.62  ? 294 ILE   C HB   1 
ATOM   4734 H  HG12 . ILE   C 1 49  ? -1.255  4.672   17.210 1.00 22.16  ? 294 ILE   C HG12 1 
ATOM   4735 H  HG13 . ILE   C 1 49  ? -0.560  4.031   18.488 1.00 22.16  ? 294 ILE   C HG13 1 
ATOM   4736 H  HG21 . ILE   C 1 49  ? -3.151  6.437   18.547 1.00 24.04  ? 294 ILE   C HG21 1 
ATOM   4737 H  HG22 . ILE   C 1 49  ? -2.261  7.717   18.856 1.00 24.04  ? 294 ILE   C HG22 1 
ATOM   4738 H  HG23 . ILE   C 1 49  ? -2.231  7.057   17.411 1.00 24.04  ? 294 ILE   C HG23 1 
ATOM   4739 H  HD11 . ILE   C 1 49  ? -2.518  2.946   18.296 1.00 22.29  ? 294 ILE   C HD11 1 
ATOM   4740 H  HD12 . ILE   C 1 49  ? -2.751  3.976   19.482 1.00 22.29  ? 294 ILE   C HD12 1 
ATOM   4741 H  HD13 . ILE   C 1 49  ? -3.317  4.293   18.033 1.00 22.29  ? 294 ILE   C HD13 1 
ATOM   4742 N  N    . LYS   C 1 50  ? 0.280   9.044   18.438 1.00 16.15  ? 295 LYS   C N    1 
ATOM   4743 C  CA   . LYS   C 1 50  ? 0.491   10.367  19.014 1.00 18.40  ? 295 LYS   C CA   1 
ATOM   4744 C  C    . LYS   C 1 50  ? -0.759  11.231  19.080 1.00 17.98  ? 295 LYS   C C    1 
ATOM   4745 O  O    . LYS   C 1 50  ? -0.734  12.272  19.762 1.00 17.78  ? 295 LYS   C O    1 
ATOM   4746 C  CB   . LYS   C 1 50  ? 1.555   11.145  18.222 1.00 22.81  ? 295 LYS   C CB   1 
ATOM   4747 C  CG   . LYS   C 1 50  ? 2.948   10.509  18.212 1.00 26.04  ? 295 LYS   C CG   1 
ATOM   4748 C  CD   . LYS   C 1 50  ? 3.539   10.525  19.585 1.00 27.65  ? 295 LYS   C CD   1 
ATOM   4749 C  CE   . LYS   C 1 50  ? 5.019   10.121  19.564 1.00 28.76  ? 295 LYS   C CE   1 
ATOM   4750 N  NZ   . LYS   C 1 50  ? 5.496   9.786   20.948 1.00 27.28  ? 295 LYS   C NZ   1 
ATOM   4751 H  H    . LYS   C 1 50  ? 0.095   9.054   17.598 1.00 19.41  ? 295 LYS   C H    1 
ATOM   4752 H  HA   . LYS   C 1 50  ? 0.813   10.232  19.919 1.00 22.11  ? 295 LYS   C HA   1 
ATOM   4753 H  HB2  . LYS   C 1 50  ? 1.261   11.215  17.300 1.00 27.40  ? 295 LYS   C HB2  1 
ATOM   4754 H  HB3  . LYS   C 1 50  ? 1.642   12.029  18.611 1.00 27.40  ? 295 LYS   C HB3  1 
ATOM   4755 H  HG2  . LYS   C 1 50  ? 2.883   9.588   17.914 1.00 31.28  ? 295 LYS   C HG2  1 
ATOM   4756 H  HG3  . LYS   C 1 50  ? 3.530   11.009  17.619 1.00 31.28  ? 295 LYS   C HG3  1 
ATOM   4757 H  HD2  . LYS   C 1 50  ? 3.472   11.419  19.953 1.00 33.21  ? 295 LYS   C HD2  1 
ATOM   4758 H  HD3  . LYS   C 1 50  ? 3.059   9.897   20.148 1.00 33.21  ? 295 LYS   C HD3  1 
ATOM   4759 H  HE2  . LYS   C 1 50  ? 5.134   9.339   19.000 1.00 34.54  ? 295 LYS   C HE2  1 
ATOM   4760 H  HE3  . LYS   C 1 50  ? 5.551   10.857  19.223 1.00 34.54  ? 295 LYS   C HE3  1 
ATOM   4761 H  HZ1  . LYS   C 1 50  ? 5.363   10.479  21.491 1.00 32.76  ? 295 LYS   C HZ1  1 
ATOM   4762 H  HZ2  . LYS   C 1 50  ? 5.049   9.083   21.262 1.00 32.76  ? 295 LYS   C HZ2  1 
ATOM   4763 H  HZ3  . LYS   C 1 50  ? 6.364   9.594   20.932 1.00 32.76  ? 295 LYS   C HZ3  1 
ATOM   4764 N  N    . SER   C 1 51  ? -1.848  10.858  18.406 1.00 19.07  ? 296 SER   C N    1 
ATOM   4765 C  CA   . SER   C 1 51  ? -3.039  11.700  18.439 1.00 19.04  ? 296 SER   C CA   1 
ATOM   4766 C  C    . SER   C 1 51  ? -4.307  10.845  18.333 1.00 17.52  ? 296 SER   C C    1 
ATOM   4767 O  O    . SER   C 1 51  ? -4.290  9.703   17.856 1.00 17.32  ? 296 SER   C O    1 
ATOM   4768 C  CB   . SER   C 1 51  ? -3.038  12.721  17.290 1.00 19.76  ? 296 SER   C CB   1 
ATOM   4769 O  OG   . SER   C 1 51  ? -3.280  12.084  16.039 1.00 20.91  ? 296 SER   C OG   1 
ATOM   4770 H  H    . SER   C 1 51  ? -1.917  10.141  17.937 1.00 22.91  ? 296 SER   C H    1 
ATOM   4771 H  HA   . SER   C 1 51  ? -3.050  12.159  19.293 1.00 22.88  ? 296 SER   C HA   1 
ATOM   4772 H  HB2  . SER   C 1 51  ? -3.736  13.376  17.450 1.00 23.75  ? 296 SER   C HB2  1 
ATOM   4773 H  HB3  . SER   C 1 51  ? -2.173  13.159  17.258 1.00 23.75  ? 296 SER   C HB3  1 
ATOM   4774 H  HG   . SER   C 1 51  ? -3.299  12.657  15.424 1.00 25.12  ? 296 SER   C HG   1 
ATOM   4775 N  N    . ALA   C 1 52  ? -5.422  11.443  18.774 1.00 17.78  ? 297 ALA   C N    1 
ATOM   4776 C  CA   . ALA   C 1 52  ? -6.707  10.764  18.701 1.00 17.95  ? 297 ALA   C CA   1 
ATOM   4777 C  C    . ALA   C 1 52  ? -7.092  10.455  17.259 1.00 17.10  ? 297 ALA   C C    1 
ATOM   4778 O  O    . ALA   C 1 52  ? -7.610  9.370   16.956 1.00 16.33  ? 297 ALA   C O    1 
ATOM   4779 C  CB   . ALA   C 1 52  ? -7.774  11.614  19.380 1.00 16.56  ? 297 ALA   C CB   1 
ATOM   4780 H  H    . ALA   C 1 52  ? -5.457  12.232  19.115 1.00 21.37  ? 297 ALA   C H    1 
ATOM   4781 H  HA   . ALA   C 1 52  ? -6.648  9.919   19.174 1.00 21.57  ? 297 ALA   C HA   1 
ATOM   4782 H  HB1  . ALA   C 1 52  ? -8.631  11.166  19.304 1.00 19.89  ? 297 ALA   C HB1  1 
ATOM   4783 H  HB2  . ALA   C 1 52  ? -7.541  11.727  20.315 1.00 19.89  ? 297 ALA   C HB2  1 
ATOM   4784 H  HB3  . ALA   C 1 52  ? -7.814  12.479  18.942 1.00 19.89  ? 297 ALA   C HB3  1 
ATOM   4785 N  N    . GLU   C 1 53  ? -6.854  11.403  16.353 1.00 15.30  ? 298 GLU   C N    1 
ATOM   4786 C  CA   . GLU   C 1 53  ? -7.176  11.168  14.945 1.00 17.80  ? 298 GLU   C CA   1 
ATOM   4787 C  C    . GLU   C 1 53  ? -6.406  9.979   14.387 1.00 16.67  ? 298 GLU   C C    1 
ATOM   4788 O  O    . GLU   C 1 53  ? -6.950  9.178   13.606 1.00 16.46  ? 298 GLU   C O    1 
ATOM   4789 C  CB   . GLU   C 1 53  ? -6.846  12.427  14.139 1.00 27.18  ? 298 GLU   C CB   1 
ATOM   4790 C  CG   . GLU   C 1 53  ? -7.941  13.453  14.129 1.00 40.66  ? 298 GLU   C CG   1 
ATOM   4791 C  CD   . GLU   C 1 53  ? -7.497  14.754  13.473 1.00 50.17  ? 298 GLU   C CD   1 
ATOM   4792 O  OE1  . GLU   C 1 53  ? -7.297  15.742  14.211 1.00 53.32  ? 298 GLU   C OE1  1 
ATOM   4793 O  OE2  . GLU   C 1 53  ? -7.328  14.769  12.237 1.00 51.75  ? 298 GLU   C OE2  1 
ATOM   4794 H  H    . GLU   C 1 53  ? -6.515  12.176  16.520 1.00 18.39  ? 298 GLU   C H    1 
ATOM   4795 H  HA   . GLU   C 1 53  ? -8.123  10.975  14.865 1.00 21.39  ? 298 GLU   C HA   1 
ATOM   4796 H  HB2  . GLU   C 1 53  ? -6.057  12.842  14.521 1.00 32.64  ? 298 GLU   C HB2  1 
ATOM   4797 H  HB3  . GLU   C 1 53  ? -6.674  12.170  13.219 1.00 32.64  ? 298 GLU   C HB3  1 
ATOM   4798 H  HG2  . GLU   C 1 53  ? -8.699  13.106  13.631 1.00 48.82  ? 298 GLU   C HG2  1 
ATOM   4799 H  HG3  . GLU   C 1 53  ? -8.205  13.647  15.042 1.00 48.82  ? 298 GLU   C HG3  1 
ATOM   4800 N  N    . GLU   C 1 54  ? -5.141  9.858   14.762 1.00 16.39  ? 299 GLU   C N    1 
ATOM   4801 C  CA   . GLU   C 1 54  ? -4.329  8.735   14.318 1.00 17.02  ? 299 GLU   C CA   1 
ATOM   4802 C  C    . GLU   C 1 54  ? -4.878  7.417   14.853 1.00 15.60  ? 299 GLU   C C    1 
ATOM   4803 O  O    . GLU   C 1 54  ? -5.003  6.430   14.108 1.00 13.96  ? 299 GLU   C O    1 
ATOM   4804 C  CB   . GLU   C 1 54  ? -2.874  8.972   14.771 1.00 17.80  ? 299 GLU   C CB   1 
ATOM   4805 C  CG   . GLU   C 1 54  ? -1.858  8.013   14.178 1.00 18.50  ? 299 GLU   C CG   1 
ATOM   4806 C  CD   . GLU   C 1 54  ? -0.405  8.254   14.707 1.00 19.43  ? 299 GLU   C CD   1 
ATOM   4807 O  OE1  . GLU   C 1 54  ? 0.512   7.629   14.152 1.00 19.87  ? 299 GLU   C OE1  1 
ATOM   4808 O  OE2  . GLU   C 1 54  ? -0.196  9.053   15.635 1.00 19.41  ? 299 GLU   C OE2  1 
ATOM   4809 H  H    . GLU   C 1 54  ? -4.724  10.411  15.272 1.00 19.70  ? 299 GLU   C H    1 
ATOM   4810 H  HA   . GLU   C 1 54  ? -4.340  8.672   13.350 1.00 20.45  ? 299 GLU   C HA   1 
ATOM   4811 H  HB2  . GLU   C 1 54  ? -2.613  9.870   14.511 1.00 21.39  ? 299 GLU   C HB2  1 
ATOM   4812 H  HB3  . GLU   C 1 54  ? -2.833  8.880   15.735 1.00 21.39  ? 299 GLU   C HB3  1 
ATOM   4813 H  HG2  . GLU   C 1 54  ? -2.112  7.105   14.405 1.00 22.23  ? 299 GLU   C HG2  1 
ATOM   4814 H  HG3  . GLU   C 1 54  ? -1.846  8.123   13.214 1.00 22.23  ? 299 GLU   C HG3  1 
ATOM   4815 N  N    . GLN   C 1 55  ? -5.261  7.400   16.130 1.00 15.48  ? 300 GLN   C N    1 
ATOM   4816 C  CA   . GLN   C 1 55  ? -5.874  6.213   16.721 1.00 16.30  ? 300 GLN   C CA   1 
ATOM   4817 C  C    . GLN   C 1 55  ? -7.121  5.802   15.959 1.00 16.95  ? 300 GLN   C C    1 
ATOM   4818 O  O    . GLN   C 1 55  ? -7.314  4.614   15.679 1.00 16.79  ? 300 GLN   C O    1 
ATOM   4819 C  CB   . GLN   C 1 55  ? -6.186  6.471   18.207 1.00 15.71  ? 300 GLN   C CB   1 
ATOM   4820 C  CG   . GLN   C 1 55  ? -7.395  5.703   18.779 1.00 15.22  ? 300 GLN   C CG   1 
ATOM   4821 C  CD   . GLN   C 1 55  ? -7.205  4.192   18.809 1.00 17.60  ? 300 GLN   C CD   1 
ATOM   4822 O  OE1  . GLN   C 1 55  ? -6.074  3.677   18.702 1.00 18.11  ? 300 GLN   C OE1  1 
ATOM   4823 N  NE2  . GLN   C 1 55  ? -8.299  3.465   18.968 1.00 19.91  ? 300 GLN   C NE2  1 
ATOM   4824 H  H    . GLN   C 1 55  ? -5.177  8.060   16.676 1.00 18.60  ? 300 GLN   C H    1 
ATOM   4825 H  HA   . GLN   C 1 55  ? -5.246  5.475   16.672 1.00 19.58  ? 300 GLN   C HA   1 
ATOM   4826 H  HB2  . GLN   C 1 55  ? -5.410  6.217   18.730 1.00 18.88  ? 300 GLN   C HB2  1 
ATOM   4827 H  HB3  . GLN   C 1 55  ? -6.367  7.418   18.320 1.00 18.88  ? 300 GLN   C HB3  1 
ATOM   4828 H  HG2  . GLN   C 1 55  ? -7.551  6.000   19.690 1.00 18.30  ? 300 GLN   C HG2  1 
ATOM   4829 H  HG3  . GLN   C 1 55  ? -8.173  5.892   18.231 1.00 18.30  ? 300 GLN   C HG3  1 
ATOM   4830 H  HE21 . GLN   C 1 55  ? -9.064  3.851   19.048 1.00 23.92  ? 300 GLN   C HE21 1 
ATOM   4831 H  HE22 . GLN   C 1 55  ? -8.246  2.607   18.992 1.00 23.92  ? 300 GLN   C HE22 1 
ATOM   4832 N  N    . ASN   C 1 56  ? -7.987  6.772   15.619 1.00 17.26  ? 301 ASN   C N    1 
ATOM   4833 C  CA   . ASN   C 1 56  ? -9.224  6.434   14.905 1.00 17.09  ? 301 ASN   C CA   1 
ATOM   4834 C  C    . ASN   C 1 56  ? -8.914  5.823   13.546 1.00 16.73  ? 301 ASN   C C    1 
ATOM   4835 O  O    . ASN   C 1 56  ? -9.575  4.853   13.106 1.00 16.23  ? 301 ASN   C O    1 
ATOM   4836 C  CB   . ASN   C 1 56  ? -10.092 7.674   14.727 1.00 16.74  ? 301 ASN   C CB   1 
ATOM   4837 C  CG   . ASN   C 1 56  ? -10.559 8.281   16.052 1.00 18.80  ? 301 ASN   C CG   1 
ATOM   4838 O  OD1  . ASN   C 1 56  ? -10.503 7.636   17.118 1.00 19.21  ? 301 ASN   C OD1  1 
ATOM   4839 N  ND2  . ASN   C 1 56  ? -11.030 9.508   15.982 1.00 20.41  ? 301 ASN   C ND2  1 
ATOM   4840 H  H    . ASN   C 1 56  ? -7.884  7.609   15.785 1.00 20.74  ? 301 ASN   C H    1 
ATOM   4841 H  HA   . ASN   C 1 56  ? -9.721  5.792   15.435 1.00 20.54  ? 301 ASN   C HA   1 
ATOM   4842 H  HB2  . ASN   C 1 56  ? -9.582  8.349   14.253 1.00 20.11  ? 301 ASN   C HB2  1 
ATOM   4843 H  HB3  . ASN   C 1 56  ? -10.881 7.434   14.216 1.00 20.11  ? 301 ASN   C HB3  1 
ATOM   4844 H  HD21 . ASN   C 1 56  ? -11.308 9.903   16.694 1.00 24.52  ? 301 ASN   C HD21 1 
ATOM   4845 H  HD22 . ASN   C 1 56  ? -11.061 9.915   15.225 1.00 24.52  ? 301 ASN   C HD22 1 
ATOM   4846 N  N    . PHE   C 1 57  ? -7.918  6.406   12.850 1.00 15.93  ? 302 PHE   C N    1 
ATOM   4847 C  CA   . PHE   C 1 57  ? -7.495  5.924   11.535 1.00 15.02  ? 302 PHE   C CA   1 
ATOM   4848 C  C    . PHE   C 1 57  ? -7.024  4.474   11.602 1.00 14.24  ? 302 PHE   C C    1 
ATOM   4849 O  O    . PHE   C 1 57  ? -7.453  3.620   10.790 1.00 14.57  ? 302 PHE   C O    1 
ATOM   4850 C  CB   . PHE   C 1 57  ? -6.406  6.881   11.041 1.00 17.07  ? 302 PHE   C CB   1 
ATOM   4851 C  CG   . PHE   C 1 57  ? -5.527  6.351   9.951  1.00 19.57  ? 302 PHE   C CG   1 
ATOM   4852 C  CD1  . PHE   C 1 57  ? -5.994  6.252   8.654  1.00 20.37  ? 302 PHE   C CD1  1 
ATOM   4853 C  CD2  . PHE   C 1 57  ? -4.188  6.046   10.210 1.00 21.02  ? 302 PHE   C CD2  1 
ATOM   4854 C  CE1  . PHE   C 1 57  ? -5.171  5.796   7.640  1.00 21.20  ? 302 PHE   C CE1  1 
ATOM   4855 C  CE2  . PHE   C 1 57  ? -3.362  5.586   9.198  1.00 22.18  ? 302 PHE   C CE2  1 
ATOM   4856 C  CZ   . PHE   C 1 57  ? -3.860  5.470   7.907  1.00 22.07  ? 302 PHE   C CZ   1 
ATOM   4857 H  H    . PHE   C 1 57  ? -7.471  7.087   13.123 1.00 19.14  ? 302 PHE   C H    1 
ATOM   4858 H  HA   . PHE   C 1 57  ? -8.229  5.928   10.901 1.00 18.05  ? 302 PHE   C HA   1 
ATOM   4859 H  HB2  . PHE   C 1 57  ? -6.835  7.682   10.701 1.00 20.51  ? 302 PHE   C HB2  1 
ATOM   4860 H  HB3  . PHE   C 1 57  ? -5.833  7.104   11.791 1.00 20.51  ? 302 PHE   C HB3  1 
ATOM   4861 H  HD1  . PHE   C 1 57  ? -6.871  6.495   8.461  1.00 24.47  ? 302 PHE   C HD1  1 
ATOM   4862 H  HD2  . PHE   C 1 57  ? -3.848  6.153   11.070 1.00 25.25  ? 302 PHE   C HD2  1 
ATOM   4863 H  HE1  . PHE   C 1 57  ? -5.503  5.709   6.776  1.00 25.46  ? 302 PHE   C HE1  1 
ATOM   4864 H  HE2  . PHE   C 1 57  ? -2.480  5.357   9.381  1.00 26.65  ? 302 PHE   C HE2  1 
ATOM   4865 H  HZ   . PHE   C 1 57  ? -3.307  5.172   7.222  1.00 26.51  ? 302 PHE   C HZ   1 
ATOM   4866 N  N    . LEU   C 1 58  ? -6.147  4.173   12.562 1.00 13.72  ? 303 LEU   C N    1 
ATOM   4867 C  CA   . LEU   C 1 58  ? -5.597  2.831   12.699 1.00 14.09  ? 303 LEU   C CA   1 
ATOM   4868 C  C    . LEU   C 1 58  ? -6.660  1.841   13.162 1.00 15.39  ? 303 LEU   C C    1 
ATOM   4869 O  O    . LEU   C 1 58  ? -6.729  0.710   12.655 1.00 14.95  ? 303 LEU   C O    1 
ATOM   4870 C  CB   . LEU   C 1 58  ? -4.441  2.848   13.685 1.00 14.21  ? 303 LEU   C CB   1 
ATOM   4871 C  CG   . LEU   C 1 58  ? -3.221  3.688   13.291 1.00 16.82  ? 303 LEU   C CG   1 
ATOM   4872 C  CD1  . LEU   C 1 58  ? -2.343  3.958   14.509 1.00 17.63  ? 303 LEU   C CD1  1 
ATOM   4873 C  CD2  . LEU   C 1 58  ? -2.459  2.999   12.185 1.00 18.57  ? 303 LEU   C CD2  1 
ATOM   4874 H  H    . LEU   C 1 58  ? -5.854  4.730   13.149 1.00 16.32  ? 303 LEU   C H    1 
ATOM   4875 H  HA   . LEU   C 1 58  ? -5.265  2.541   11.835 1.00 16.93  ? 303 LEU   C HA   1 
ATOM   4876 H  HB2  . LEU   C 1 58  ? -4.769  3.200   14.527 1.00 17.08  ? 303 LEU   C HB2  1 
ATOM   4877 H  HB3  . LEU   C 1 58  ? -4.133  1.936   13.803 1.00 17.08  ? 303 LEU   C HB3  1 
ATOM   4878 H  HG   . LEU   C 1 58  ? -3.507  4.551   12.954 1.00 20.21  ? 303 LEU   C HG   1 
ATOM   4879 H  HD11 . LEU   C 1 58  ? -1.561  4.459   14.230 1.00 21.18  ? 303 LEU   C HD11 1 
ATOM   4880 H  HD12 . LEU   C 1 58  ? -2.851  4.470   15.157 1.00 21.18  ? 303 LEU   C HD12 1 
ATOM   4881 H  HD13 . LEU   C 1 58  ? -2.072  3.111   14.897 1.00 21.18  ? 303 LEU   C HD13 1 
ATOM   4882 H  HD21 . LEU   C 1 58  ? -1.663  3.514   11.982 1.00 22.31  ? 303 LEU   C HD21 1 
ATOM   4883 H  HD22 . LEU   C 1 58  ? -2.211  2.109   12.479 1.00 22.31  ? 303 LEU   C HD22 1 
ATOM   4884 H  HD23 . LEU   C 1 58  ? -3.025  2.942   11.399 1.00 22.31  ? 303 LEU   C HD23 1 
ATOM   4885 N  N    . GLN   C 1 59  ? -7.489  2.248   14.133 1.00 16.10  ? 304 GLN   C N    1 
ATOM   4886 C  CA   . GLN   C 1 59  ? -8.521  1.348   14.650 1.00 16.77  ? 304 GLN   C CA   1 
ATOM   4887 C  C    . GLN   C 1 59  ? -9.521  0.978   13.560 1.00 16.82  ? 304 GLN   C C    1 
ATOM   4888 O  O    . GLN   C 1 59  ? -9.994  -0.158  13.491 1.00 16.82  ? 304 GLN   C O    1 
ATOM   4889 C  CB   . GLN   C 1 59  ? -9.248  1.997   15.820 1.00 18.51  ? 304 GLN   C CB   1 
ATOM   4890 C  CG   . GLN   C 1 59  ? -10.141 1.021   16.577 1.00 19.84  ? 304 GLN   C CG   1 
ATOM   4891 C  CD   . GLN   C 1 59  ? -9.362  0.114   17.493 1.00 18.24  ? 304 GLN   C CD   1 
ATOM   4892 O  OE1  . GLN   C 1 59  ? -8.609  0.583   18.374 1.00 15.42  ? 304 GLN   C OE1  1 
ATOM   4893 N  NE2  . GLN   C 1 59  ? -9.527  -1.201  17.309 1.00 17.92  ? 304 GLN   C NE2  1 
ATOM   4894 H  H    . GLN   C 1 59  ? -7.475  3.024   14.502 1.00 19.35  ? 304 GLN   C H    1 
ATOM   4895 H  HA   . GLN   C 1 59  ? -8.093  0.538   14.967 1.00 20.16  ? 304 GLN   C HA   1 
ATOM   4896 H  HB2  . GLN   C 1 59  ? -8.592  2.348   16.443 1.00 22.24  ? 304 GLN   C HB2  1 
ATOM   4897 H  HB3  . GLN   C 1 59  ? -9.806  2.716   15.485 1.00 22.24  ? 304 GLN   C HB3  1 
ATOM   4898 H  HG2  . GLN   C 1 59  ? -10.772 1.522   17.116 1.00 23.83  ? 304 GLN   C HG2  1 
ATOM   4899 H  HG3  . GLN   C 1 59  ? -10.616 0.466   15.938 1.00 23.83  ? 304 GLN   C HG3  1 
ATOM   4900 H  HE21 . GLN   C 1 59  ? -10.055 -1.486  16.693 1.00 21.53  ? 304 GLN   C HE21 1 
ATOM   4901 H  HE22 . GLN   C 1 59  ? -9.104  -1.760  17.807 1.00 21.53  ? 304 GLN   C HE22 1 
ATOM   4902 N  N    . LEU   C 1 60  ? -9.885  1.939   12.727 1.00 16.73  ? 305 LEU   C N    1 
ATOM   4903 C  CA   . LEU   C 1 60  ? -10.815 1.670   11.635 1.00 18.50  ? 305 LEU   C CA   1 
ATOM   4904 C  C    . LEU   C 1 60  ? -10.275 0.567   10.741 1.00 19.34  ? 305 LEU   C C    1 
ATOM   4905 O  O    . LEU   C 1 60  ? -11.029 -0.311  10.312 1.00 22.31  ? 305 LEU   C O    1 
ATOM   4906 C  CB   . LEU   C 1 60  ? -11.049 2.944   10.809 1.00 23.54  ? 305 LEU   C CB   1 
ATOM   4907 C  CG   . LEU   C 1 60  ? -12.164 3.875   11.265 1.00 33.31  ? 305 LEU   C CG   1 
ATOM   4908 C  CD1  . LEU   C 1 60  ? -11.946 5.301   10.774 1.00 37.22  ? 305 LEU   C CD1  1 
ATOM   4909 C  CD2  . LEU   C 1 60  ? -13.497 3.337   10.737 1.00 38.02  ? 305 LEU   C CD2  1 
ATOM   4910 H  H    . LEU   C 1 60  ? -9.612  2.754   12.767 1.00 20.11  ? 305 LEU   C H    1 
ATOM   4911 H  HA   . LEU   C 1 60  ? -11.667 1.392   12.007 1.00 22.23  ? 305 LEU   C HA   1 
ATOM   4912 H  HB2  . LEU   C 1 60  ? -10.228 3.461   10.820 1.00 28.27  ? 305 LEU   C HB2  1 
ATOM   4913 H  HB3  . LEU   C 1 60  ? -11.260 2.676   9.901  1.00 28.27  ? 305 LEU   C HB3  1 
ATOM   4914 H  HG   . LEU   C 1 60  ? -12.177 3.908   12.234 1.00 40.00  ? 305 LEU   C HG   1 
ATOM   4915 H  HD11 . LEU   C 1 60  ? -12.700 5.848   11.045 1.00 44.70  ? 305 LEU   C HD11 1 
ATOM   4916 H  HD12 . LEU   C 1 60  ? -11.129 5.648   11.165 1.00 44.70  ? 305 LEU   C HD12 1 
ATOM   4917 H  HD13 . LEU   C 1 60  ? -11.872 5.295   9.807  1.00 44.70  ? 305 LEU   C HD13 1 
ATOM   4918 H  HD21 . LEU   C 1 60  ? -14.215 3.911   11.049 1.00 45.65  ? 305 LEU   C HD21 1 
ATOM   4919 H  HD22 . LEU   C 1 60  ? -13.474 3.334   9.767  1.00 45.65  ? 305 LEU   C HD22 1 
ATOM   4920 H  HD23 . LEU   C 1 60  ? -13.627 2.435   11.068 1.00 45.65  ? 305 LEU   C HD23 1 
ATOM   4921 N  N    . GLN   C 1 61  ? -8.963  0.584   10.471 1.00 17.51  ? 306 GLN   C N    1 
ATOM   4922 C  CA   . GLN   C 1 61  ? -8.384  -0.403  9.552  1.00 17.61  ? 306 GLN   C CA   1 
ATOM   4923 C  C    . GLN   C 1 61  ? -8.342  -1.788  10.186 1.00 16.62  ? 306 GLN   C C    1 
ATOM   4924 O  O    . GLN   C 1 61  ? -8.647  -2.796  9.528  1.00 14.76  ? 306 GLN   C O    1 
ATOM   4925 C  CB   . GLN   C 1 61  ? -6.993  0.049   9.124  1.00 20.13  ? 306 GLN   C CB   1 
ATOM   4926 C  CG   . GLN   C 1 61  ? -6.209  -0.961  8.281  1.00 23.86  ? 306 GLN   C CG   1 
ATOM   4927 C  CD   . GLN   C 1 61  ? -6.897  -1.306  6.966  1.00 27.53  ? 306 GLN   C CD   1 
ATOM   4928 O  OE1  . GLN   C 1 61  ? -7.868  -0.682  6.569  1.00 27.03  ? 306 GLN   C OE1  1 
ATOM   4929 N  NE2  . GLN   C 1 61  ? -6.392  -2.340  6.293  1.00 30.63  ? 306 GLN   C NE2  1 
ATOM   4930 H  H    . GLN   C 1 61  ? -8.398  1.143   10.798 1.00 21.04  ? 306 GLN   C H    1 
ATOM   4931 H  HA   . GLN   C 1 61  ? -8.935  -0.464  8.756  1.00 21.16  ? 306 GLN   C HA   1 
ATOM   4932 H  HB2  . GLN   C 1 61  ? -7.083  0.859   8.597  1.00 24.19  ? 306 GLN   C HB2  1 
ATOM   4933 H  HB3  . GLN   C 1 61  ? -6.470  0.229   9.921  1.00 24.19  ? 306 GLN   C HB3  1 
ATOM   4934 H  HG2  . GLN   C 1 61  ? -5.338  -0.589  8.073  1.00 28.66  ? 306 GLN   C HG2  1 
ATOM   4935 H  HG3  . GLN   C 1 61  ? -6.107  -1.782  8.788  1.00 28.66  ? 306 GLN   C HG3  1 
ATOM   4936 H  HE21 . GLN   C 1 61  ? -5.717  -2.769  6.608  1.00 36.79  ? 306 GLN   C HE21 1 
ATOM   4937 H  HE22 . GLN   C 1 61  ? -6.742  -2.578  5.545  1.00 36.79  ? 306 GLN   C HE22 1 
ATOM   4938 N  N    . SER   C 1 62  ? -7.935  -1.870  11.456 1.00 18.48  ? 307 SER   C N    1 
ATOM   4939 C  CA   . SER   C 1 62  ? -7.994  -3.153  12.152 1.00 22.23  ? 307 SER   C CA   1 
ATOM   4940 C  C    . SER   C 1 62  ? -9.430  -3.663  12.250 1.00 19.57  ? 307 SER   C C    1 
ATOM   4941 O  O    . SER   C 1 62  ? -9.694  -4.853  12.060 1.00 19.79  ? 307 SER   C O    1 
ATOM   4942 C  CB   . SER   C 1 62  ? -7.379  -3.018  13.552 1.00 31.54  ? 307 SER   C CB   1 
ATOM   4943 O  OG   . SER   C 1 62  ? -7.787  -4.126  14.361 1.00 39.02  ? 307 SER   C OG   1 
ATOM   4944 H  H    . SER   C 1 62  ? -7.630  -1.217  11.925 1.00 22.20  ? 307 SER   C H    1 
ATOM   4945 H  HA   . SER   C 1 62  ? -7.475  -3.804  11.653 1.00 26.71  ? 307 SER   C HA   1 
ATOM   4946 H  HB2  . SER   C 1 62  ? -6.412  -3.013  13.478 1.00 37.88  ? 307 SER   C HB2  1 
ATOM   4947 H  HB3  . SER   C 1 62  ? -7.685  -2.192  13.959 1.00 37.88  ? 307 SER   C HB3  1 
ATOM   4948 H  HG   . SER   C 1 62  ? -7.466  -4.050  15.134 1.00 46.85  ? 307 SER   C HG   1 
ATOM   4949 N  N    . SER   C 1 63  ? -10.366 -2.774  12.547 1.00 19.44  ? 308 SER   C N    1 
ATOM   4950 C  CA   . SER   C 1 63  ? -11.762 -3.161  12.702 1.00 21.94  ? 308 SER   C CA   1 
ATOM   4951 C  C    . SER   C 1 63  ? -12.313 -3.703  11.390 1.00 21.90  ? 308 SER   C C    1 
ATOM   4952 O  O    . SER   C 1 63  ? -12.863 -4.813  11.352 1.00 22.12  ? 308 SER   C O    1 
ATOM   4953 C  CB   . SER   C 1 63  ? -12.583 -1.967  13.185 1.00 26.08  ? 308 SER   C CB   1 
ATOM   4954 O  OG   . SER   C 1 63  ? -13.954 -2.301  13.301 1.00 33.40  ? 308 SER   C OG   1 
ATOM   4955 H  H    . SER   C 1 63  ? -10.222 -1.934  12.667 1.00 23.35  ? 308 SER   C H    1 
ATOM   4956 H  HA   . SER   C 1 63  ? -11.829 -3.858  13.373 1.00 26.36  ? 308 SER   C HA   1 
ATOM   4957 H  HB2  . SER   C 1 63  ? -12.253 -1.689  14.054 1.00 31.32  ? 308 SER   C HB2  1 
ATOM   4958 H  HB3  . SER   C 1 63  ? -12.489 -1.242  12.547 1.00 31.32  ? 308 SER   C HB3  1 
ATOM   4959 H  HG   . SER   C 1 63  ? -14.263 -2.513  12.549 1.00 40.11  ? 308 SER   C HG   1 
ATOM   4960 N  N    . ARG   C 1 64  ? -12.154 -2.944  10.301 1.00 21.82  ? 309 ARG   C N    1 
ATOM   4961 C  CA   . ARG   C 1 64  ? -12.731 -3.342  9.025  1.00 23.67  ? 309 ARG   C CA   1 
ATOM   4962 C  C    . ARG   C 1 64  ? -12.095 -4.619  8.489  1.00 22.65  ? 309 ARG   C C    1 
ATOM   4963 O  O    . ARG   C 1 64  ? -12.764 -5.428  7.841  1.00 23.29  ? 309 ARG   C O    1 
ATOM   4964 C  CB   . ARG   C 1 64  ? -12.555 -2.225  7.994  1.00 29.81  ? 309 ARG   C CB   1 
ATOM   4965 C  CG   . ARG   C 1 64  ? -13.447 -1.017  8.158  1.00 40.99  ? 309 ARG   C CG   1 
ATOM   4966 C  CD   . ARG   C 1 64  ? -13.132 0.026   7.036  1.00 51.24  ? 309 ARG   C CD   1 
ATOM   4967 N  NE   . ARG   C 1 64  ? -11.688 0.250   6.892  1.00 55.65  ? 309 ARG   C NE   1 
ATOM   4968 C  CZ   . ARG   C 1 64  ? -11.067 1.432   7.036  1.00 52.38  ? 309 ARG   C CZ   1 
ATOM   4969 N  NH1  . ARG   C 1 64  ? -11.767 2.534   7.311  1.00 56.79  ? 309 ARG   C NH1  1 
ATOM   4970 N  NH2  . ARG   C 1 64  ? -9.739  1.508   6.902  1.00 42.29  ? 309 ARG   C NH2  1 
ATOM   4971 H  H    . ARG   C 1 64  ? -11.720 -2.202  10.277 1.00 26.21  ? 309 ARG   C H    1 
ATOM   4972 H  HA   . ARG   C 1 64  ? -13.678 -3.500  9.166  1.00 28.43  ? 309 ARG   C HA   1 
ATOM   4973 H  HB2  . ARG   C 1 64  ? -11.638 -1.911  8.042  1.00 35.80  ? 309 ARG   C HB2  1 
ATOM   4974 H  HB3  . ARG   C 1 64  ? -12.733 -2.595  7.115  1.00 35.80  ? 309 ARG   C HB3  1 
ATOM   4975 H  HG2  . ARG   C 1 64  ? -14.377 -1.284  8.085  1.00 49.21  ? 309 ARG   C HG2  1 
ATOM   4976 H  HG3  . ARG   C 1 64  ? -13.287 -0.606  9.021  1.00 49.21  ? 309 ARG   C HG3  1 
ATOM   4977 H  HD2  . ARG   C 1 64  ? -13.475 -0.300  6.190  1.00 61.52  ? 309 ARG   C HD2  1 
ATOM   4978 H  HD3  . ARG   C 1 64  ? -13.550 0.872   7.259  1.00 61.52  ? 309 ARG   C HD3  1 
ATOM   4979 H  HE   . ARG   C 1 64  ? -11.199 -0.432  6.699  1.00 66.81  ? 309 ARG   C HE   1 
ATOM   4980 H  HH11 . ARG   C 1 64  ? -12.622 2.491   7.398  1.00 68.18  ? 309 ARG   C HH11 1 
ATOM   4981 H  HH12 . ARG   C 1 64  ? -11.363 3.288   7.402  1.00 68.18  ? 309 ARG   C HH12 1 
ATOM   4982 H  HH21 . ARG   C 1 64  ? -9.283  0.801   6.724  1.00 50.78  ? 309 ARG   C HH21 1 
ATOM   4983 H  HH22 . ARG   C 1 64  ? -9.340  2.265   6.994  1.00 50.78  ? 309 ARG   C HH22 1 
ATOM   4984 N  N    . SER   C 1 65  ? -10.789 -4.777  8.667  1.00 20.95  ? 310 SER   C N    1 
ATOM   4985 C  CA   . SER   C 1 65  ? -10.104 -5.957  8.154  1.00 19.42  ? 310 SER   C CA   1 
ATOM   4986 C  C    . SER   C 1 65  ? -10.300 -7.177  9.047  1.00 19.79  ? 310 SER   C C    1 
ATOM   4987 O  O    . SER   C 1 65  ? -9.991  -8.279  8.629  1.00 19.64  ? 310 SER   C O    1 
ATOM   4988 C  CB   . SER   C 1 65  ? -8.606  -5.645  8.007  1.00 20.76  ? 310 SER   C CB   1 
ATOM   4989 O  OG   . SER   C 1 65  ? -7.981  -5.579  9.277  1.00 22.13  ? 310 SER   C OG   1 
ATOM   4990 H  H    . SER   C 1 65  ? -10.280 -4.220  9.079  1.00 25.17  ? 310 SER   C H    1 
ATOM   4991 H  HA   . SER   C 1 65  ? -10.450 -6.180  7.276  1.00 23.34  ? 310 SER   C HA   1 
ATOM   4992 H  HB2  . SER   C 1 65  ? -8.187  -6.347  7.485  1.00 24.94  ? 310 SER   C HB2  1 
ATOM   4993 H  HB3  . SER   C 1 65  ? -8.503  -4.791  7.559  1.00 24.94  ? 310 SER   C HB3  1 
ATOM   4994 H  HG   . SER   C 1 65  ? -7.162  -5.417  9.186  1.00 26.59  ? 310 SER   C HG   1 
ATOM   4995 N  N    . ASN   C 1 66  ? -10.835 -7.008  10.257 1.00 17.57  ? 311 ASN   C N    1 
ATOM   4996 C  CA   . ASN   C 1 66  ? -11.024 -8.093  11.206 1.00 19.37  ? 311 ASN   C CA   1 
ATOM   4997 C  C    . ASN   C 1 66  ? -9.685  -8.766  11.498 1.00 18.46  ? 311 ASN   C C    1 
ATOM   4998 O  O    . ASN   C 1 66  ? -9.569  -9.989  11.469 1.00 19.00  ? 311 ASN   C O    1 
ATOM   4999 C  CB   . ASN   C 1 66  ? -12.038 -9.111  10.689 1.00 19.46  ? 311 ASN   C CB   1 
ATOM   5000 C  CG   . ASN   C 1 66  ? -12.660 -9.949  11.814 1.00 19.60  ? 311 ASN   C CG   1 
ATOM   5001 O  OD1  . ASN   C 1 66  ? -12.247 -9.863  12.984 1.00 19.48  ? 311 ASN   C OD1  1 
ATOM   5002 N  ND2  . ASN   C 1 66  ? -13.624 -10.759 11.466 1.00 19.03  ? 311 ASN   C ND2  1 
ATOM   5003 H  H    . ASN   C 1 66  ? -11.103 -6.248  10.555 1.00 21.11  ? 311 ASN   C H    1 
ATOM   5004 H  HA   . ASN   C 1 66  ? -11.374 -7.728  12.034 1.00 23.28  ? 311 ASN   C HA   1 
ATOM   5005 H  HB2  . ASN   C 1 66  ? -12.754 -8.642  10.233 1.00 23.37  ? 311 ASN   C HB2  1 
ATOM   5006 H  HB3  . ASN   C 1 66  ? -11.595 -9.716  10.074 1.00 23.37  ? 311 ASN   C HB3  1 
ATOM   5007 H  HD21 . ASN   C 1 66  ? -14.006 -11.251 12.059 1.00 22.86  ? 311 ASN   C HD21 1 
ATOM   5008 H  HD22 . ASN   C 1 66  ? -13.875 -10.800 10.645 1.00 22.86  ? 311 ASN   C HD22 1 
ATOM   5009 N  N    . ARG   C 1 67  ? -8.664  -7.945  11.759 1.00 17.52  ? 312 ARG   C N    1 
ATOM   5010 C  CA   . ARG   C 1 67  ? -7.323  -8.436  12.076 1.00 17.89  ? 312 ARG   C CA   1 
ATOM   5011 C  C    . ARG   C 1 67  ? -6.888  -7.971  13.451 1.00 17.26  ? 312 ARG   C C    1 
ATOM   5012 O  O    . ARG   C 1 67  ? -6.823  -6.774  13.700 1.00 18.35  ? 312 ARG   C O    1 
ATOM   5013 C  CB   . ARG   C 1 67  ? -6.308  -7.968  11.026 1.00 22.39  ? 312 ARG   C CB   1 
ATOM   5014 C  CG   . ARG   C 1 67  ? -6.363  -8.756  9.737  1.00 28.61  ? 312 ARG   C CG   1 
ATOM   5015 C  CD   . ARG   C 1 67  ? -5.432  -8.126  8.729  1.00 34.40  ? 312 ARG   C CD   1 
ATOM   5016 N  NE   . ARG   C 1 67  ? -5.313  -8.930  7.527  1.00 39.39  ? 312 ARG   C NE   1 
ATOM   5017 C  CZ   . ARG   C 1 67  ? -4.435  -8.678  6.558  1.00 47.12  ? 312 ARG   C CZ   1 
ATOM   5018 N  NH1  . ARG   C 1 67  ? -3.611  -7.639  6.653  1.00 51.50  ? 312 ARG   C NH1  1 
ATOM   5019 N  NH2  . ARG   C 1 67  ? -4.385  -9.464  5.497  1.00 49.52  ? 312 ARG   C NH2  1 
ATOM   5020 H  H    . ARG   C 1 67  ? -8.729  -7.088  11.758 1.00 21.05  ? 312 ARG   C H    1 
ATOM   5021 H  HA   . ARG   C 1 67  ? -7.357  -9.405  12.093 1.00 21.50  ? 312 ARG   C HA   1 
ATOM   5022 H  HB2  . ARG   C 1 67  ? -6.485  -7.039  10.813 1.00 26.89  ? 312 ARG   C HB2  1 
ATOM   5023 H  HB3  . ARG   C 1 67  ? -5.415  -8.061  11.392 1.00 26.89  ? 312 ARG   C HB3  1 
ATOM   5024 H  HG2  . ARG   C 1 67  ? -6.081  -9.670  9.897  1.00 34.36  ? 312 ARG   C HG2  1 
ATOM   5025 H  HG3  . ARG   C 1 67  ? -7.265  -8.744  9.382  1.00 34.36  ? 312 ARG   C HG3  1 
ATOM   5026 H  HD2  . ARG   C 1 67  ? -5.774  -7.254  8.479  1.00 41.31  ? 312 ARG   C HD2  1 
ATOM   5027 H  HD3  . ARG   C 1 67  ? -4.550  -8.036  9.122  1.00 41.31  ? 312 ARG   C HD3  1 
ATOM   5028 H  HE   . ARG   C 1 67  ? -5.838  -9.605  7.435  1.00 47.29  ? 312 ARG   C HE   1 
ATOM   5029 H  HH11 . ARG   C 1 67  ? -3.643  -7.126  7.343  1.00 61.83  ? 312 ARG   C HH11 1 
ATOM   5030 H  HH12 . ARG   C 1 67  ? -3.045  -7.480  6.025  1.00 61.83  ? 312 ARG   C HH12 1 
ATOM   5031 H  HH21 . ARG   C 1 67  ? -4.919  -10.136 5.434  1.00 59.45  ? 312 ARG   C HH21 1 
ATOM   5032 H  HH22 . ARG   C 1 67  ? -3.819  -9.304  4.869  1.00 59.45  ? 312 ARG   C HH22 1 
ATOM   5033 N  N    . PHE   C 1 68  ? -6.564  -8.915  14.330 1.00 15.75  ? 313 PHE   C N    1 
ATOM   5034 C  CA   . PHE   C 1 68  ? -5.941  -8.578  15.607 1.00 18.18  ? 313 PHE   C CA   1 
ATOM   5035 C  C    . PHE   C 1 68  ? -4.484  -8.192  15.358 1.00 17.70  ? 313 PHE   C C    1 
ATOM   5036 O  O    . PHE   C 1 68  ? -3.739  -8.958  14.738 1.00 15.77  ? 313 PHE   C O    1 
ATOM   5037 C  CB   . PHE   C 1 68  ? -6.052  -9.772  16.553 1.00 20.30  ? 313 PHE   C CB   1 
ATOM   5038 C  CG   . PHE   C 1 68  ? -7.463  -10.192 16.822 1.00 22.70  ? 313 PHE   C CG   1 
ATOM   5039 C  CD1  . PHE   C 1 68  ? -8.322  -9.373  17.513 1.00 20.03  ? 313 PHE   C CD1  1 
ATOM   5040 C  CD2  . PHE   C 1 68  ? -7.927  -11.424 16.389 1.00 27.98  ? 313 PHE   C CD2  1 
ATOM   5041 C  CE1  . PHE   C 1 68  ? -9.646  -9.764  17.771 1.00 22.14  ? 313 PHE   C CE1  1 
ATOM   5042 C  CE2  . PHE   C 1 68  ? -9.251  -11.817 16.633 1.00 28.00  ? 313 PHE   C CE2  1 
ATOM   5043 C  CZ   . PHE   C 1 68  ? -10.093 -10.994 17.312 1.00 25.25  ? 313 PHE   C CZ   1 
ATOM   5044 H  H    . PHE   C 1 68  ? -6.693  -9.758  14.212 1.00 18.93  ? 313 PHE   C H    1 
ATOM   5045 H  HA   . PHE   C 1 68  ? -6.388  -7.825  16.024 1.00 21.84  ? 313 PHE   C HA   1 
ATOM   5046 H  HB2  . PHE   C 1 68  ? -5.587  -10.526 16.159 1.00 24.38  ? 313 PHE   C HB2  1 
ATOM   5047 H  HB3  . PHE   C 1 68  ? -5.645  -9.537  17.401 1.00 24.38  ? 313 PHE   C HB3  1 
ATOM   5048 H  HD1  . PHE   C 1 68  ? -8.021  -8.547  17.815 1.00 24.07  ? 313 PHE   C HD1  1 
ATOM   5049 H  HD2  . PHE   C 1 68  ? -7.354  -11.997 15.932 1.00 33.61  ? 313 PHE   C HD2  1 
ATOM   5050 H  HE1  . PHE   C 1 68  ? -10.218 -9.204  18.245 1.00 26.59  ? 313 PHE   C HE1  1 
ATOM   5051 H  HE2  . PHE   C 1 68  ? -9.554  -12.643 16.329 1.00 33.63  ? 313 PHE   C HE2  1 
ATOM   5052 H  HZ   . PHE   C 1 68  ? -10.971 -11.256 17.470 1.00 30.33  ? 313 PHE   C HZ   1 
ATOM   5053 N  N    . THR   C 1 69  ? -4.098  -6.992  15.792 1.00 17.70  ? 314 THR   C N    1 
ATOM   5054 C  CA   . THR   C 1 69  ? -2.885  -6.337  15.300 1.00 18.55  ? 314 THR   C CA   1 
ATOM   5055 C  C    . THR   C 1 69  ? -2.119  -5.677  16.430 1.00 15.88  ? 314 THR   C C    1 
ATOM   5056 O  O    . THR   C 1 69  ? -2.675  -4.844  17.163 1.00 15.43  ? 314 THR   C O    1 
ATOM   5057 C  CB   . THR   C 1 69  ? -3.256  -5.282  14.243 1.00 18.95  ? 314 THR   C CB   1 
ATOM   5058 O  OG1  . THR   C 1 69  ? -3.988  -5.905  13.164 1.00 20.54  ? 314 THR   C OG1  1 
ATOM   5059 C  CG2  . THR   C 1 69  ? -2.030  -4.596  13.660 1.00 20.14  ? 314 THR   C CG2  1 
ATOM   5060 H  H    . THR   C 1 69  ? -4.528  -6.532  16.379 1.00 21.27  ? 314 THR   C H    1 
ATOM   5061 H  HA   . THR   C 1 69  ? -2.298  -7.008  14.919 1.00 22.29  ? 314 THR   C HA   1 
ATOM   5062 H  HB   . THR   C 1 69  ? -3.799  -4.605  14.676 1.00 22.77  ? 314 THR   C HB   1 
ATOM   5063 H  HG1  . THR   C 1 69  ? -4.714  -6.213  13.451 1.00 24.67  ? 314 THR   C HG1  1 
ATOM   5064 H  HG21 . THR   C 1 69  ? -2.296  -3.982  12.958 1.00 24.20  ? 314 THR   C HG21 1 
ATOM   5065 H  HG22 . THR   C 1 69  ? -1.566  -4.100  14.353 1.00 24.20  ? 314 THR   C HG22 1 
ATOM   5066 H  HG23 . THR   C 1 69  ? -1.425  -5.257  13.288 1.00 24.20  ? 314 THR   C HG23 1 
ATOM   5067 N  N    . TRP   C 1 70  ? -0.816  -5.999  16.527 1.00 15.34  ? 315 TRP   C N    1 
ATOM   5068 C  CA   . TRP   C 1 70  ? 0.030   -5.383  17.553 1.00 14.92  ? 315 TRP   C CA   1 
ATOM   5069 C  C    . TRP   C 1 70  ? 0.266   -3.892  17.294 1.00 15.91  ? 315 TRP   C C    1 
ATOM   5070 O  O    . TRP   C 1 70  ? 0.431   -3.455  16.161 1.00 16.60  ? 315 TRP   C O    1 
ATOM   5071 C  CB   . TRP   C 1 70  ? 1.408   -6.043  17.606 1.00 16.62  ? 315 TRP   C CB   1 
ATOM   5072 C  CG   . TRP   C 1 70  ? 1.492   -7.466  18.104 1.00 19.71  ? 315 TRP   C CG   1 
ATOM   5073 C  CD1  . TRP   C 1 70  ? 2.075   -8.526  17.456 1.00 20.67  ? 315 TRP   C CD1  1 
ATOM   5074 C  CD2  . TRP   C 1 70  ? 1.055   -7.966  19.362 1.00 21.27  ? 315 TRP   C CD2  1 
ATOM   5075 N  NE1  . TRP   C 1 70  ? 2.011   -9.641  18.230 1.00 20.73  ? 315 TRP   C NE1  1 
ATOM   5076 C  CE2  . TRP   C 1 70  ? 1.389   -9.339  19.404 1.00 21.54  ? 315 TRP   C CE2  1 
ATOM   5077 C  CE3  . TRP   C 1 70  ? 0.410   -7.397  20.456 1.00 20.20  ? 315 TRP   C CE3  1 
ATOM   5078 C  CZ2  . TRP   C 1 70  ? 1.095   -10.147 20.495 1.00 24.29  ? 315 TRP   C CZ2  1 
ATOM   5079 C  CZ3  . TRP   C 1 70  ? 0.092   -8.213  21.531 1.00 21.89  ? 315 TRP   C CZ3  1 
ATOM   5080 C  CH2  . TRP   C 1 70  ? 0.453   -9.554  21.555 1.00 25.07  ? 315 TRP   C CH2  1 
ATOM   5081 H  H    . TRP   C 1 70  ? -0.409  -6.561  16.019 1.00 18.44  ? 315 TRP   C H    1 
ATOM   5082 H  HA   . TRP   C 1 70  ? -0.432  -5.499  18.398 1.00 17.76  ? 315 TRP   C HA   1 
ATOM   5083 H  HB2  . TRP   C 1 70  ? 1.772   -6.042  16.706 1.00 19.97  ? 315 TRP   C HB2  1 
ATOM   5084 H  HB3  . TRP   C 1 70  ? 1.969   -5.510  18.191 1.00 19.97  ? 315 TRP   C HB3  1 
ATOM   5085 H  HD1  . TRP   C 1 70  ? 2.458   -8.487  16.609 1.00 24.84  ? 315 TRP   C HD1  1 
ATOM   5086 H  HE1  . TRP   C 1 70  ? 2.316   -10.416 18.013 1.00 24.91  ? 315 TRP   C HE1  1 
ATOM   5087 H  HE3  . TRP   C 1 70  ? 0.198   -6.492  20.466 1.00 24.27  ? 315 TRP   C HE3  1 
ATOM   5088 H  HZ2  . TRP   C 1 70  ? 1.323   -11.049 20.508 1.00 29.18  ? 315 TRP   C HZ2  1 
ATOM   5089 H  HZ3  . TRP   C 1 70  ? -0.374  -7.854  22.252 1.00 26.29  ? 315 TRP   C HZ3  1 
ATOM   5090 H  HH2  . TRP   C 1 70  ? 0.255   -10.063 22.308 1.00 30.11  ? 315 TRP   C HH2  1 
ATOM   5091 N  N    . MET   C 1 71  ? 0.363   -3.127  18.375 1.00 17.77  ? 316 MET   C N    1 
ATOM   5092 C  CA   . MET   C 1 71  ? 0.918   -1.773  18.360 1.00 19.22  ? 316 MET   C CA   1 
ATOM   5093 C  C    . MET   C 1 71  ? 2.139   -1.704  19.281 1.00 19.64  ? 316 MET   C C    1 
ATOM   5094 O  O    . MET   C 1 71  ? 2.438   -2.629  20.033 1.00 19.95  ? 316 MET   C O    1 
ATOM   5095 C  CB   . MET   C 1 71  ? -0.122  -0.737  18.814 1.00 20.62  ? 316 MET   C CB   1 
ATOM   5096 C  CG   . MET   C 1 71  ? -0.386  -0.762  20.321 1.00 22.48  ? 316 MET   C CG   1 
ATOM   5097 S  SD   . MET   C 1 71  ? -1.777  0.338   20.776 1.00 21.00  ? 316 MET   C SD   1 
ATOM   5098 C  CE   . MET   C 1 71  ? -3.151  -0.667  20.285 1.00 22.26  ? 316 MET   C CE   1 
ATOM   5099 H  H    . MET   C 1 71  ? 0.105   -3.378  19.155 1.00 21.36  ? 316 MET   C H    1 
ATOM   5100 H  HA   . MET   C 1 71  ? 1.184   -1.561  17.452 1.00 23.09  ? 316 MET   C HA   1 
ATOM   5101 H  HB2  . MET   C 1 71  ? 0.197   0.150   18.582 1.00 24.77  ? 316 MET   C HB2  1 
ATOM   5102 H  HB3  . MET   C 1 71  ? -0.961  -0.916  18.362 1.00 24.77  ? 316 MET   C HB3  1 
ATOM   5103 H  HG2  . MET   C 1 71  ? -0.610  -1.666  20.593 1.00 27.00  ? 316 MET   C HG2  1 
ATOM   5104 H  HG3  . MET   C 1 71  ? 0.407   -0.461  20.791 1.00 27.00  ? 316 MET   C HG3  1 
ATOM   5105 H  HE1  . MET   C 1 71  ? -3.956  -0.126  20.290 1.00 26.74  ? 316 MET   C HE1  1 
ATOM   5106 H  HE2  . MET   C 1 71  ? -2.988  -1.010  19.392 1.00 26.74  ? 316 MET   C HE2  1 
ATOM   5107 H  HE3  . MET   C 1 71  ? -3.243  -1.404  20.909 1.00 26.74  ? 316 MET   C HE3  1 
ATOM   5108 N  N    . GLY   C 1 72  ? 2.858   -0.582  19.233 1.00 18.54  ? 317 GLY   C N    1 
ATOM   5109 C  CA   . GLY   C 1 72  ? 4.098   -0.450  19.976 1.00 19.88  ? 317 GLY   C CA   1 
ATOM   5110 C  C    . GLY   C 1 72  ? 3.915   0.026   21.409 1.00 21.19  ? 317 GLY   C C    1 
ATOM   5111 O  O    . GLY   C 1 72  ? 4.446   1.081   21.792 1.00 20.59  ? 317 GLY   C O    1 
ATOM   5112 H  H    . GLY   C 1 72  ? 2.645   0.115   18.776 1.00 22.27  ? 317 GLY   C H    1 
ATOM   5113 H  HA2  . GLY   C 1 72  ? 4.542   -1.312  20.003 1.00 23.89  ? 317 GLY   C HA2  1 
ATOM   5114 H  HA3  . GLY   C 1 72  ? 4.672   0.186   19.521 1.00 23.89  ? 317 GLY   C HA3  1 
ATOM   5115 N  N    . LEU   C 1 73  ? 3.201   -0.757  22.217 1.00 21.80  ? 318 LEU   C N    1 
ATOM   5116 C  CA   . LEU   C 1 73  ? 2.869   -0.380  23.585 1.00 20.85  ? 318 LEU   C CA   1 
ATOM   5117 C  C    . LEU   C 1 73  ? 2.914   -1.610  24.472 1.00 20.36  ? 318 LEU   C C    1 
ATOM   5118 O  O    . LEU   C 1 73  ? 2.423   -2.662  24.084 1.00 19.50  ? 318 LEU   C O    1 
ATOM   5119 C  CB   . LEU   C 1 73  ? 1.459   0.231   23.625 1.00 22.87  ? 318 LEU   C CB   1 
ATOM   5120 C  CG   . LEU   C 1 73  ? 0.920   0.736   24.969 1.00 24.13  ? 318 LEU   C CG   1 
ATOM   5121 C  CD1  . LEU   C 1 73  ? 1.625   1.999   25.396 1.00 23.05  ? 318 LEU   C CD1  1 
ATOM   5122 C  CD2  . LEU   C 1 73  ? -0.577  0.974   24.825 1.00 24.33  ? 318 LEU   C CD2  1 
ATOM   5123 H  H    . LEU   C 1 73  ? 2.893   -1.526  21.987 1.00 26.19  ? 318 LEU   C H    1 
ATOM   5124 H  HA   . LEU   C 1 73  ? 3.513   0.258   23.929 1.00 25.05  ? 318 LEU   C HA   1 
ATOM   5125 H  HB2  . LEU   C 1 73  ? 1.452   0.991   23.021 1.00 27.47  ? 318 LEU   C HB2  1 
ATOM   5126 H  HB3  . LEU   C 1 73  ? 0.837   -0.445  23.314 1.00 27.47  ? 318 LEU   C HB3  1 
ATOM   5127 H  HG   . LEU   C 1 73  ? 1.081   0.078   25.663 1.00 28.98  ? 318 LEU   C HG   1 
ATOM   5128 H  HD11 . LEU   C 1 73  ? 1.483   2.134   26.346 1.00 27.69  ? 318 LEU   C HD11 1 
ATOM   5129 H  HD12 . LEU   C 1 73  ? 2.573   1.910   25.212 1.00 27.69  ? 318 LEU   C HD12 1 
ATOM   5130 H  HD13 . LEU   C 1 73  ? 1.260   2.747   24.898 1.00 27.69  ? 318 LEU   C HD13 1 
ATOM   5131 H  HD21 . LEU   C 1 73  ? -0.914  1.372   25.642 1.00 29.22  ? 318 LEU   C HD21 1 
ATOM   5132 H  HD22 . LEU   C 1 73  ? -0.731  1.573   24.077 1.00 29.22  ? 318 LEU   C HD22 1 
ATOM   5133 H  HD23 . LEU   C 1 73  ? -1.018  0.125   24.664 1.00 29.22  ? 318 LEU   C HD23 1 
ATOM   5134 N  N    . SER   C 1 74  ? 3.527   -1.483  25.660 1.00 23.14  ? 319 SER   C N    1 
ATOM   5135 C  CA   . SER   C 1 74  ? 3.637   -2.607  26.570 1.00 27.39  ? 319 SER   C CA   1 
ATOM   5136 C  C    . SER   C 1 74  ? 3.738   -2.117  28.004 1.00 25.51  ? 319 SER   C C    1 
ATOM   5137 O  O    . SER   C 1 74  ? 4.058   -0.960  28.268 1.00 25.44  ? 319 SER   C O    1 
ATOM   5138 C  CB   . SER   C 1 74  ? 4.871   -3.461  26.243 1.00 32.16  ? 319 SER   C CB   1 
ATOM   5139 O  OG   . SER   C 1 74  ? 6.050   -2.827  26.733 1.00 33.95  ? 319 SER   C OG   1 
ATOM   5140 H  H    . SER   C 1 74  ? 3.882   -0.755  25.950 1.00 27.79  ? 319 SER   C H    1 
ATOM   5141 H  HA   . SER   C 1 74  ? 2.832   -3.142  26.491 1.00 32.90  ? 319 SER   C HA   1 
ATOM   5142 H  HB2  . SER   C 1 74  ? 4.778   -4.330  26.664 1.00 38.62  ? 319 SER   C HB2  1 
ATOM   5143 H  HB3  . SER   C 1 74  ? 4.941   -3.564  25.281 1.00 38.62  ? 319 SER   C HB3  1 
ATOM   5144 H  HG   . SER   C 1 74  ? 6.713   -3.332  26.627 1.00 40.77  ? 319 SER   C HG   1 
ATOM   5145 N  N    . ASP   C 1 75  ? 3.455   -3.025  28.943 1.00 26.50  ? 320 ASP   C N    1 
ATOM   5146 C  CA   . ASP   C 1 75  ? 3.766   -2.812  30.354 1.00 28.56  ? 320 ASP   C CA   1 
ATOM   5147 C  C    . ASP   C 1 75  ? 4.737   -3.885  30.832 1.00 30.85  ? 320 ASP   C C    1 
ATOM   5148 O  O    . ASP   C 1 75  ? 4.660   -4.367  31.962 1.00 33.14  ? 320 ASP   C O    1 
ATOM   5149 C  CB   . ASP   C 1 75  ? 2.485   -2.752  31.189 1.00 28.05  ? 320 ASP   C CB   1 
ATOM   5150 C  CG   . ASP   C 1 75  ? 1.785   -4.088  31.312 1.00 29.59  ? 320 ASP   C CG   1 
ATOM   5151 O  OD1  . ASP   C 1 75  ? 2.073   -5.001  30.515 1.00 31.43  ? 320 ASP   C OD1  1 
ATOM   5152 O  OD2  . ASP   C 1 75  ? 0.939   -4.247  32.217 1.00 30.53  ? 320 ASP   C OD2  1 
ATOM   5153 H  H    . ASP   C 1 75  ? 3.078   -3.781  28.779 1.00 31.83  ? 320 ASP   C H    1 
ATOM   5154 H  HA   . ASP   C 1 75  ? 4.205   -1.956  30.476 1.00 34.30  ? 320 ASP   C HA   1 
ATOM   5155 H  HB2  . ASP   C 1 75  ? 2.707   -2.450  32.084 1.00 33.69  ? 320 ASP   C HB2  1 
ATOM   5156 H  HB3  . ASP   C 1 75  ? 1.867   -2.130  30.773 1.00 33.69  ? 320 ASP   C HB3  1 
ATOM   5157 N  N    . LEU   C 1 76  ? 5.667   -4.263  29.951 1.00 29.81  ? 321 LEU   C N    1 
ATOM   5158 C  CA   . LEU   C 1 76  ? 6.645   -5.297  30.263 1.00 34.62  ? 321 LEU   C CA   1 
ATOM   5159 C  C    . LEU   C 1 76  ? 7.590   -4.865  31.377 1.00 42.53  ? 321 LEU   C C    1 
ATOM   5160 O  O    . LEU   C 1 76  ? 7.858   -5.633  32.312 1.00 44.26  ? 321 LEU   C O    1 
ATOM   5161 C  CB   . LEU   C 1 76  ? 7.443   -5.644  29.008 1.00 32.52  ? 321 LEU   C CB   1 
ATOM   5162 C  CG   . LEU   C 1 76  ? 6.699   -6.539  28.028 1.00 33.69  ? 321 LEU   C CG   1 
ATOM   5163 C  CD1  . LEU   C 1 76  ? 7.288   -6.411  26.644 1.00 34.27  ? 321 LEU   C CD1  1 
ATOM   5164 C  CD2  . LEU   C 1 76  ? 6.726   -7.979  28.530 1.00 36.30  ? 321 LEU   C CD2  1 
ATOM   5165 H  H    . LEU   C 1 76  ? 5.754   -3.933  29.162 1.00 35.81  ? 321 LEU   C H    1 
ATOM   5166 H  HA   . LEU   C 1 76  ? 6.168   -6.086  30.565 1.00 41.57  ? 321 LEU   C HA   1 
ATOM   5167 H  HB2  . LEU   C 1 76  ? 7.667   -4.822  28.545 1.00 39.06  ? 321 LEU   C HB2  1 
ATOM   5168 H  HB3  . LEU   C 1 76  ? 8.253   -6.107  29.274 1.00 39.06  ? 321 LEU   C HB3  1 
ATOM   5169 H  HG   . LEU   C 1 76  ? 5.770   -6.266  27.964 1.00 40.46  ? 321 LEU   C HG   1 
ATOM   5170 H  HD11 . LEU   C 1 76  ? 6.805   -6.997  26.040 1.00 41.15  ? 321 LEU   C HD11 1 
ATOM   5171 H  HD12 . LEU   C 1 76  ? 7.205   -5.491  26.349 1.00 41.15  ? 321 LEU   C HD12 1 
ATOM   5172 H  HD13 . LEU   C 1 76  ? 8.224   -6.666  26.674 1.00 41.15  ? 321 LEU   C HD13 1 
ATOM   5173 H  HD21 . LEU   C 1 76  ? 6.236   -8.540  27.908 1.00 43.58  ? 321 LEU   C HD21 1 
ATOM   5174 H  HD22 . LEU   C 1 76  ? 7.647   -8.276  28.588 1.00 43.58  ? 321 LEU   C HD22 1 
ATOM   5175 H  HD23 . LEU   C 1 76  ? 6.310   -8.016  29.406 1.00 43.58  ? 321 LEU   C HD23 1 
ATOM   5176 N  N    . ASN   C 1 77  ? 8.100   -3.638  31.300 1.00 48.31  ? 322 ASN   C N    1 
ATOM   5177 C  CA   . ASN   C 1 77  ? 9.097   -3.202  32.275 1.00 55.23  ? 322 ASN   C CA   1 
ATOM   5178 C  C    . ASN   C 1 77  ? 8.477   -3.053  33.658 1.00 54.43  ? 322 ASN   C C    1 
ATOM   5179 O  O    . ASN   C 1 77  ? 9.097   -3.413  34.665 1.00 59.59  ? 322 ASN   C O    1 
ATOM   5180 C  CB   . ASN   C 1 77  ? 9.735   -1.890  31.822 1.00 62.61  ? 322 ASN   C CB   1 
ATOM   5181 C  CG   . ASN   C 1 77  ? 10.659  -2.074  30.625 1.00 71.29  ? 322 ASN   C CG   1 
ATOM   5182 O  OD1  . ASN   C 1 77  ? 11.132  -3.179  30.348 1.00 76.42  ? 322 ASN   C OD1  1 
ATOM   5183 N  ND2  . ASN   C 1 77  ? 10.913  -0.986  29.903 1.00 73.48  ? 322 ASN   C ND2  1 
ATOM   5184 H  H    . ASN   C 1 77  ? 7.892   -3.049  30.709 1.00 58.01  ? 322 ASN   C H    1 
ATOM   5185 H  HA   . ASN   C 1 77  ? 9.800   -3.869  32.330 1.00 66.31  ? 322 ASN   C HA   1 
ATOM   5186 H  HB2  . ASN   C 1 77  ? 9.035   -1.268  31.569 1.00 75.17  ? 322 ASN   C HB2  1 
ATOM   5187 H  HB3  . ASN   C 1 77  ? 10.258  -1.523  32.552 1.00 75.17  ? 322 ASN   C HB3  1 
ATOM   5188 H  HD21 . ASN   C 1 77  ? 10.562  -0.232  30.122 1.00 88.20  ? 322 ASN   C HD21 1 
ATOM   5189 H  HD22 . ASN   C 1 77  ? 11.429  -1.036  29.216 1.00 88.20  ? 322 ASN   C HD22 1 
ATOM   5190 N  N    . GLN   C 1 78  ? 7.250   -2.540  33.726 1.00 47.13  ? 323 GLN   C N    1 
ATOM   5191 C  CA   . GLN   C 1 78  ? 6.528   -2.391  34.987 1.00 45.37  ? 323 GLN   C CA   1 
ATOM   5192 C  C    . GLN   C 1 78  ? 5.042   -2.650  34.785 1.00 42.30  ? 323 GLN   C C    1 
ATOM   5193 O  O    . GLN   C 1 78  ? 4.346   -1.847  34.159 1.00 41.19  ? 323 GLN   C O    1 
ATOM   5194 C  CB   . GLN   C 1 78  ? 6.760   -1.003  35.582 1.00 49.86  ? 323 GLN   C CB   1 
ATOM   5195 C  CG   . GLN   C 1 78  ? 6.342   -0.883  37.019 1.00 55.72  ? 323 GLN   C CG   1 
ATOM   5196 C  CD   . GLN   C 1 78  ? 6.853   0.383   37.660 1.00 60.15  ? 323 GLN   C CD   1 
ATOM   5197 O  OE1  . GLN   C 1 78  ? 7.647   0.326   38.605 1.00 64.48  ? 323 GLN   C OE1  1 
ATOM   5198 N  NE2  . GLN   C 1 78  ? 6.447   1.536   37.126 1.00 58.52  ? 323 GLN   C NE2  1 
ATOM   5199 H  H    . GLN   C 1 78  ? 6.808   -2.265  33.042 1.00 56.59  ? 323 GLN   C H    1 
ATOM   5200 H  HA   . GLN   C 1 78  ? 6.850   -3.070  35.600 1.00 54.47  ? 323 GLN   C HA   1 
ATOM   5201 H  HB2  . GLN   C 1 78  ? 7.706   -0.795  35.531 1.00 59.86  ? 323 GLN   C HB2  1 
ATOM   5202 H  HB3  . GLN   C 1 78  ? 6.250   -0.355  35.071 1.00 59.86  ? 323 GLN   C HB3  1 
ATOM   5203 H  HG2  . GLN   C 1 78  ? 5.373   -0.877  37.069 1.00 66.90  ? 323 GLN   C HG2  1 
ATOM   5204 H  HG3  . GLN   C 1 78  ? 6.695   -1.637  37.517 1.00 66.90  ? 323 GLN   C HG3  1 
ATOM   5205 H  HE21 . GLN   C 1 78  ? 5.918   1.533   36.447 1.00 70.25  ? 323 GLN   C HE21 1 
ATOM   5206 H  HE22 . GLN   C 1 78  ? 6.714   2.282   37.459 1.00 70.25  ? 323 GLN   C HE22 1 
ATOM   5207 N  N    . GLU   C 1 79  ? 4.559   -3.758  35.347 1.00 41.56  ? 324 GLU   C N    1 
ATOM   5208 C  CA   . GLU   C 1 79  ? 3.162   -4.147  35.223 1.00 39.99  ? 324 GLU   C CA   1 
ATOM   5209 C  C    . GLU   C 1 79  ? 2.245   -3.000  35.616 1.00 38.98  ? 324 GLU   C C    1 
ATOM   5210 O  O    . GLU   C 1 79  ? 2.444   -2.360  36.638 1.00 39.06  ? 324 GLU   C O    1 
ATOM   5211 C  CB   . GLU   C 1 79  ? 2.881   -5.372  36.100 1.00 38.74  ? 324 GLU   C CB   1 
ATOM   5212 C  CG   . GLU   C 1 79  ? 1.437   -5.826  36.111 1.00 36.76  ? 324 GLU   C CG   1 
ATOM   5213 C  CD   . GLU   C 1 79  ? 0.954   -6.300  34.748 1.00 35.07  ? 324 GLU   C CD   1 
ATOM   5214 O  OE1  . GLU   C 1 79  ? 1.767   -6.896  34.008 1.00 31.17  ? 324 GLU   C OE1  1 
ATOM   5215 O  OE2  . GLU   C 1 79  ? -0.238  -6.075  34.430 1.00 37.90  ? 324 GLU   C OE2  1 
ATOM   5216 H  H    . GLU   C 1 79  ? 5.028   -4.308  35.812 1.00 49.90  ? 324 GLU   C H    1 
ATOM   5217 H  HA   . GLU   C 1 79  ? 2.978   -4.382  34.300 1.00 48.02  ? 324 GLU   C HA   1 
ATOM   5218 H  HB2  . GLU   C 1 79  ? 3.416   -6.113  35.775 1.00 46.52  ? 324 GLU   C HB2  1 
ATOM   5219 H  HB3  . GLU   C 1 79  ? 3.127   -5.160  37.013 1.00 46.52  ? 324 GLU   C HB3  1 
ATOM   5220 H  HG2  . GLU   C 1 79  ? 1.343   -6.562  36.735 1.00 44.14  ? 324 GLU   C HG2  1 
ATOM   5221 H  HG3  . GLU   C 1 79  ? 0.875   -5.084  36.386 1.00 44.14  ? 324 GLU   C HG3  1 
ATOM   5222 N  N    . GLY   C 1 80  ? 1.236   -2.728  34.772 1.00 36.60  ? 325 GLY   C N    1 
ATOM   5223 C  CA   . GLY   C 1 80  ? 0.294   -1.663  35.034 1.00 32.87  ? 325 GLY   C CA   1 
ATOM   5224 C  C    . GLY   C 1 80  ? 0.719   -0.293  34.545 1.00 32.44  ? 325 GLY   C C    1 
ATOM   5225 O  O    . GLY   C 1 80  ? -0.133  0.607   34.458 1.00 31.89  ? 325 GLY   C O    1 
ATOM   5226 H  H    . GLY   C 1 80  ? 1.088   -3.156  34.041 1.00 43.95  ? 325 GLY   C H    1 
ATOM   5227 H  HA2  . GLY   C 1 80  ? -0.548  -1.882  34.605 1.00 39.48  ? 325 GLY   C HA2  1 
ATOM   5228 H  HA3  . GLY   C 1 80  ? 0.153   -1.604  35.992 1.00 39.48  ? 325 GLY   C HA3  1 
ATOM   5229 N  N    . THR   C 1 81  ? 2.007   -0.103  34.228 1.00 34.67  ? 326 THR   C N    1 
ATOM   5230 C  CA   . THR   C 1 81  ? 2.516   1.154   33.676 1.00 36.29  ? 326 THR   C CA   1 
ATOM   5231 C  C    . THR   C 1 81  ? 2.804   0.943   32.194 1.00 34.04  ? 326 THR   C C    1 
ATOM   5232 O  O    . THR   C 1 81  ? 3.778   0.272   31.835 1.00 32.39  ? 326 THR   C O    1 
ATOM   5233 C  CB   . THR   C 1 81  ? 3.772   1.612   34.415 1.00 40.75  ? 326 THR   C CB   1 
ATOM   5234 O  OG1  . THR   C 1 81  ? 3.452   1.848   35.789 1.00 43.27  ? 326 THR   C OG1  1 
ATOM   5235 C  CG2  . THR   C 1 81  ? 4.326   2.884   33.794 1.00 39.36  ? 326 THR   C CG2  1 
ATOM   5236 H  H    . THR   C 1 81  ? 2.614   -0.704  34.329 1.00 41.63  ? 326 THR   C H    1 
ATOM   5237 H  HA   . THR   C 1 81  ? 1.839   1.842   33.769 1.00 43.58  ? 326 THR   C HA   1 
ATOM   5238 H  HB   . THR   C 1 81  ? 4.455   0.927   34.354 1.00 48.92  ? 326 THR   C HB   1 
ATOM   5239 H  HG1  . THR   C 1 81  ? 3.113   1.158   36.127 1.00 51.95  ? 326 THR   C HG1  1 
ATOM   5240 H  HG21 . THR   C 1 81  ? 4.963   3.298   34.398 1.00 47.26  ? 326 THR   C HG21 1 
ATOM   5241 H  HG22 . THR   C 1 81  ? 4.773   2.678   32.958 1.00 47.26  ? 326 THR   C HG22 1 
ATOM   5242 H  HG23 . THR   C 1 81  ? 3.606   3.509   33.619 1.00 47.26  ? 326 THR   C HG23 1 
ATOM   5243 N  N    . TRP   C 1 82  ? 1.979   1.534   31.337 1.00 32.05  ? 327 TRP   C N    1 
ATOM   5244 C  CA   . TRP   C 1 82  ? 2.068   1.286   29.902 1.00 28.81  ? 327 TRP   C CA   1 
ATOM   5245 C  C    . TRP   C 1 82  ? 2.962   2.331   29.259 1.00 25.72  ? 327 TRP   C C    1 
ATOM   5246 O  O    . TRP   C 1 82  ? 2.829   3.529   29.531 1.00 24.14  ? 327 TRP   C O    1 
ATOM   5247 C  CB   . TRP   C 1 82  ? 0.667   1.279   29.268 1.00 27.39  ? 327 TRP   C CB   1 
ATOM   5248 C  CG   . TRP   C 1 82  ? -0.090  0.055   29.666 1.00 25.29  ? 327 TRP   C CG   1 
ATOM   5249 C  CD1  . TRP   C 1 82  ? -0.864  -0.093  30.768 1.00 25.47  ? 327 TRP   C CD1  1 
ATOM   5250 C  CD2  . TRP   C 1 82  ? -0.119  -1.207  28.972 1.00 22.47  ? 327 TRP   C CD2  1 
ATOM   5251 N  NE1  . TRP   C 1 82  ? -1.394  -1.377  30.806 1.00 25.66  ? 327 TRP   C NE1  1 
ATOM   5252 C  CE2  . TRP   C 1 82  ? -0.928  -2.079  29.727 1.00 24.85  ? 327 TRP   C CE2  1 
ATOM   5253 C  CE3  . TRP   C 1 82  ? 0.458   -1.678  27.787 1.00 21.06  ? 327 TRP   C CE3  1 
ATOM   5254 C  CZ2  . TRP   C 1 82  ? -1.180  -3.397  29.337 1.00 25.27  ? 327 TRP   C CZ2  1 
ATOM   5255 C  CZ3  . TRP   C 1 82  ? 0.216   -2.981  27.407 1.00 21.35  ? 327 TRP   C CZ3  1 
ATOM   5256 C  CH2  . TRP   C 1 82  ? -0.595  -3.834  28.185 1.00 22.43  ? 327 TRP   C CH2  1 
ATOM   5257 H  H    . TRP   C 1 82  ? 1.358   2.084   31.562 1.00 38.48  ? 327 TRP   C H    1 
ATOM   5258 H  HA   . TRP   C 1 82  ? 2.467   0.416   29.740 1.00 34.60  ? 327 TRP   C HA   1 
ATOM   5259 H  HB2  . TRP   C 1 82  ? 0.173   2.058   29.568 1.00 32.90  ? 327 TRP   C HB2  1 
ATOM   5260 H  HB3  . TRP   C 1 82  ? 0.750   1.290   28.302 1.00 32.90  ? 327 TRP   C HB3  1 
ATOM   5261 H  HD1  . TRP   C 1 82  ? -1.018  0.567   31.405 1.00 30.59  ? 327 TRP   C HD1  1 
ATOM   5262 H  HE1  . TRP   C 1 82  ? -1.927  -1.681  31.408 1.00 30.82  ? 327 TRP   C HE1  1 
ATOM   5263 H  HE3  . TRP   C 1 82  ? 0.994   -1.123  27.267 1.00 25.30  ? 327 TRP   C HE3  1 
ATOM   5264 H  HZ2  . TRP   C 1 82  ? -1.727  -3.954  29.843 1.00 30.35  ? 327 TRP   C HZ2  1 
ATOM   5265 H  HZ3  . TRP   C 1 82  ? 0.595   -3.304  26.621 1.00 25.65  ? 327 TRP   C HZ3  1 
ATOM   5266 H  HH2  . TRP   C 1 82  ? -0.733  -4.711  27.907 1.00 26.94  ? 327 TRP   C HH2  1 
ATOM   5267 N  N    . GLN   C 1 83  ? 3.867   1.876   28.399 1.00 27.07  ? 328 GLN   C N    1 
ATOM   5268 C  CA   . GLN   C 1 83  ? 4.902   2.733   27.818 1.00 24.83  ? 328 GLN   C CA   1 
ATOM   5269 C  C    . GLN   C 1 83  ? 5.018   2.409   26.335 1.00 20.66  ? 328 GLN   C C    1 
ATOM   5270 O  O    . GLN   C 1 83  ? 5.021   1.240   25.960 1.00 18.57  ? 328 GLN   C O    1 
ATOM   5271 C  CB   . GLN   C 1 83  ? 6.237   2.495   28.537 1.00 30.35  ? 328 GLN   C CB   1 
ATOM   5272 C  CG   . GLN   C 1 83  ? 7.328   3.481   28.172 1.00 37.76  ? 328 GLN   C CG   1 
ATOM   5273 C  CD   . GLN   C 1 83  ? 8.666   3.145   28.839 1.00 44.62  ? 328 GLN   C CD   1 
ATOM   5274 O  OE1  . GLN   C 1 83  ? 8.970   1.984   29.096 1.00 48.55  ? 328 GLN   C OE1  1 
ATOM   5275 N  NE2  . GLN   C 1 83  ? 9.458   4.162   29.107 1.00 44.76  ? 328 GLN   C NE2  1 
ATOM   5276 H  H    . GLN   C 1 83  ? 3.905   1.059   28.131 1.00 32.52  ? 328 GLN   C H    1 
ATOM   5277 H  HA   . GLN   C 1 83  ? 4.667   3.670   27.900 1.00 29.82  ? 328 GLN   C HA   1 
ATOM   5278 H  HB2  . GLN   C 1 83  ? 6.090   2.561   29.493 1.00 36.45  ? 328 GLN   C HB2  1 
ATOM   5279 H  HB3  . GLN   C 1 83  ? 6.556   1.607   28.311 1.00 36.45  ? 328 GLN   C HB3  1 
ATOM   5280 H  HG2  . GLN   C 1 83  ? 7.459   3.468   27.211 1.00 45.34  ? 328 GLN   C HG2  1 
ATOM   5281 H  HG3  . GLN   C 1 83  ? 7.062   4.369   28.459 1.00 45.34  ? 328 GLN   C HG3  1 
ATOM   5282 H  HE21 . GLN   C 1 83  ? 9.214   4.962   28.908 1.00 53.74  ? 328 GLN   C HE21 1 
ATOM   5283 H  HE22 . GLN   C 1 83  ? 10.220  4.025   29.481 1.00 53.74  ? 328 GLN   C HE22 1 
ATOM   5284 N  N    . TRP   C 1 84  ? 5.088   3.434   25.499 1.00 21.15  ? 329 TRP   C N    1 
ATOM   5285 C  CA   . TRP   C 1 84  ? 5.302   3.243   24.070 1.00 22.94  ? 329 TRP   C CA   1 
ATOM   5286 C  C    . TRP   C 1 84  ? 6.763   2.863   23.817 1.00 24.46  ? 329 TRP   C C    1 
ATOM   5287 O  O    . TRP   C 1 84  ? 7.645   3.131   24.637 1.00 26.84  ? 329 TRP   C O    1 
ATOM   5288 C  CB   . TRP   C 1 84  ? 4.948   4.502   23.288 1.00 21.67  ? 329 TRP   C CB   1 
ATOM   5289 C  CG   . TRP   C 1 84  ? 3.519   4.914   23.380 1.00 21.49  ? 329 TRP   C CG   1 
ATOM   5290 C  CD1  . TRP   C 1 84  ? 2.979   5.892   24.187 1.00 20.43  ? 329 TRP   C CD1  1 
ATOM   5291 C  CD2  . TRP   C 1 84  ? 2.421   4.367   22.624 1.00 19.60  ? 329 TRP   C CD2  1 
ATOM   5292 N  NE1  . TRP   C 1 84  ? 1.606   5.982   23.948 1.00 17.75  ? 329 TRP   C NE1  1 
ATOM   5293 C  CE2  . TRP   C 1 84  ? 1.245   5.043   23.022 1.00 18.60  ? 329 TRP   C CE2  1 
ATOM   5294 C  CE3  . TRP   C 1 84  ? 2.320   3.355   21.666 1.00 19.45  ? 329 TRP   C CE3  1 
ATOM   5295 C  CZ2  . TRP   C 1 84  ? -0.000  4.744   22.488 1.00 19.34  ? 329 TRP   C CZ2  1 
ATOM   5296 C  CZ3  . TRP   C 1 84  ? 1.065   3.065   21.132 1.00 19.11  ? 329 TRP   C CZ3  1 
ATOM   5297 C  CH2  . TRP   C 1 84  ? -0.067  3.761   21.551 1.00 20.66  ? 329 TRP   C CH2  1 
ATOM   5298 H  H    . TRP   C 1 84  ? 5.015   4.258   25.733 1.00 25.41  ? 329 TRP   C H    1 
ATOM   5299 H  HA   . TRP   C 1 84  ? 4.728   2.531   23.747 1.00 27.56  ? 329 TRP   C HA   1 
ATOM   5300 H  HB2  . TRP   C 1 84  ? 5.485   5.236   23.626 1.00 26.03  ? 329 TRP   C HB2  1 
ATOM   5301 H  HB3  . TRP   C 1 84  ? 5.147   4.348   22.351 1.00 26.03  ? 329 TRP   C HB3  1 
ATOM   5302 H  HD1  . TRP   C 1 84  ? 3.454   6.412   24.794 1.00 24.54  ? 329 TRP   C HD1  1 
ATOM   5303 H  HE1  . TRP   C 1 84  ? 1.071   6.540   24.325 1.00 21.33  ? 329 TRP   C HE1  1 
ATOM   5304 H  HE3  . TRP   C 1 84  ? 3.073   2.885   21.391 1.00 23.37  ? 329 TRP   C HE3  1 
ATOM   5305 H  HZ2  . TRP   C 1 84  ? -0.763  5.199   22.762 1.00 23.24  ? 329 TRP   C HZ2  1 
ATOM   5306 H  HZ3  . TRP   C 1 84  ? 0.983   2.398   20.489 1.00 22.97  ? 329 TRP   C HZ3  1 
ATOM   5307 H  HH2  . TRP   C 1 84  ? -0.892  3.548   21.178 1.00 24.82  ? 329 TRP   C HH2  1 
ATOM   5308 N  N    . VAL   C 1 85  ? 7.016   2.233   22.667 1.00 22.99  ? 330 VAL   C N    1 
ATOM   5309 C  CA   . VAL   C 1 85  ? 8.355   1.714   22.421 1.00 25.19  ? 330 VAL   C CA   1 
ATOM   5310 C  C    . VAL   C 1 85  ? 9.377   2.821   22.190 1.00 27.84  ? 330 VAL   C C    1 
ATOM   5311 O  O    . VAL   C 1 85  ? 10.591  2.569   22.285 1.00 30.10  ? 330 VAL   C O    1 
ATOM   5312 C  CB   . VAL   C 1 85  ? 8.385   0.720   21.238 1.00 24.85  ? 330 VAL   C CB   1 
ATOM   5313 C  CG1  . VAL   C 1 85  ? 7.637   -0.543  21.586 1.00 25.64  ? 330 VAL   C CG1  1 
ATOM   5314 C  CG2  . VAL   C 1 85  ? 7.835   1.351   19.955 1.00 22.91  ? 330 VAL   C CG2  1 
ATOM   5315 H  H    . VAL   C 1 85  ? 6.448   2.098   22.036 1.00 27.61  ? 330 VAL   C H    1 
ATOM   5316 H  HA   . VAL   C 1 85  ? 8.605   1.229   23.223 1.00 30.26  ? 330 VAL   C HA   1 
ATOM   5317 H  HB   . VAL   C 1 85  ? 9.311   0.485   21.066 1.00 29.84  ? 330 VAL   C HB   1 
ATOM   5318 H  HG11 . VAL   C 1 85  ? 7.666   -1.146  20.826 1.00 30.80  ? 330 VAL   C HG11 1 
ATOM   5319 H  HG12 . VAL   C 1 85  ? 8.058   -0.959  22.354 1.00 30.80  ? 330 VAL   C HG12 1 
ATOM   5320 H  HG13 . VAL   C 1 85  ? 6.716   -0.318  21.794 1.00 30.80  ? 330 VAL   C HG13 1 
ATOM   5321 H  HG21 . VAL   C 1 85  ? 7.901   0.707   19.233 1.00 27.52  ? 330 VAL   C HG21 1 
ATOM   5322 H  HG22 . VAL   C 1 85  ? 6.907   1.596   20.096 1.00 27.52  ? 330 VAL   C HG22 1 
ATOM   5323 H  HG23 . VAL   C 1 85  ? 8.357   2.141   19.742 1.00 27.52  ? 330 VAL   C HG23 1 
ATOM   5324 N  N    . ASP   C 1 86  ? 8.943   4.047   21.922 1.00 29.30  ? 331 ASP   C N    1 
ATOM   5325 C  CA   . ASP   C 1 86  ? 9.887   5.168   21.848 1.00 29.73  ? 331 ASP   C CA   1 
ATOM   5326 C  C    . ASP   C 1 86  ? 10.201  5.754   23.217 1.00 28.71  ? 331 ASP   C C    1 
ATOM   5327 O  O    . ASP   C 1 86  ? 10.895  6.765   23.298 1.00 30.77  ? 331 ASP   C O    1 
ATOM   5328 C  CB   . ASP   C 1 86  ? 9.351   6.264   20.915 1.00 30.68  ? 331 ASP   C CB   1 
ATOM   5329 C  CG   . ASP   C 1 86  ? 8.103   6.946   21.441 1.00 29.23  ? 331 ASP   C CG   1 
ATOM   5330 O  OD1  . ASP   C 1 86  ? 7.551   6.505   22.473 1.00 29.03  ? 331 ASP   C OD1  1 
ATOM   5331 O  OD2  . ASP   C 1 86  ? 7.672   7.942   20.814 1.00 28.15  ? 331 ASP   C OD2  1 
ATOM   5332 H  H    . ASP   C 1 86  ? 8.120   4.255   21.781 1.00 35.19  ? 331 ASP   C H    1 
ATOM   5333 H  HA   . ASP   C 1 86  ? 10.718  4.847   21.463 1.00 35.70  ? 331 ASP   C HA   1 
ATOM   5334 H  HB2  . ASP   C 1 86  ? 10.035  6.942   20.801 1.00 36.85  ? 331 ASP   C HB2  1 
ATOM   5335 H  HB3  . ASP   C 1 86  ? 9.132   5.866   20.058 1.00 36.85  ? 331 ASP   C HB3  1 
ATOM   5336 N  N    . GLY   C 1 87  ? 9.720   5.130   24.290 1.00 24.65  ? 332 GLY   C N    1 
ATOM   5337 C  CA   . GLY   C 1 87  ? 9.945   5.623   25.632 1.00 27.41  ? 332 GLY   C CA   1 
ATOM   5338 C  C    . GLY   C 1 87  ? 8.852   6.533   26.176 1.00 30.78  ? 332 GLY   C C    1 
ATOM   5339 O  O    . GLY   C 1 87  ? 8.845   6.793   27.385 1.00 36.39  ? 332 GLY   C O    1 
ATOM   5340 H  H    . GLY   C 1 87  ? 9.254   4.408   24.258 1.00 29.61  ? 332 GLY   C H    1 
ATOM   5341 H  HA2  . GLY   C 1 87  ? 10.023  4.865   26.231 1.00 32.93  ? 332 GLY   C HA2  1 
ATOM   5342 H  HA3  . GLY   C 1 87  ? 10.777  6.122   25.643 1.00 32.93  ? 332 GLY   C HA3  1 
ATOM   5343 N  N    . SER   C 1 88  ? 7.930   7.023   25.329 1.00 26.26  ? 333 SER   C N    1 
ATOM   5344 C  CA   . SER   C 1 88  ? 6.913   7.948   25.801 1.00 26.18  ? 333 SER   C CA   1 
ATOM   5345 C  C    . SER   C 1 88  ? 5.873   7.208   26.648 1.00 25.14  ? 333 SER   C C    1 
ATOM   5346 O  O    . SER   C 1 88  ? 5.561   6.046   26.393 1.00 25.64  ? 333 SER   C O    1 
ATOM   5347 C  CB   . SER   C 1 88  ? 6.236   8.659   24.626 1.00 29.19  ? 333 SER   C CB   1 
ATOM   5348 O  OG   . SER   C 1 88  ? 5.619   7.760   23.701 1.00 30.66  ? 333 SER   C OG   1 
ATOM   5349 H  H    . SER   C 1 88  ? 7.880   6.835   24.491 1.00 31.53  ? 333 SER   C H    1 
ATOM   5350 H  HA   . SER   C 1 88  ? 7.326   8.628   26.356 1.00 31.45  ? 333 SER   C HA   1 
ATOM   5351 H  HB2  . SER   C 1 88  ? 5.553   9.250   24.979 1.00 35.06  ? 333 SER   C HB2  1 
ATOM   5352 H  HB3  . SER   C 1 88  ? 6.908   9.173   24.151 1.00 35.06  ? 333 SER   C HB3  1 
ATOM   5353 H  HG   . SER   C 1 88  ? 5.243   8.193   23.087 1.00 36.82  ? 333 SER   C HG   1 
ATOM   5354 N  N    . PRO   C 1 89  ? 5.327   7.860   27.678 1.00 25.50  ? 334 PRO   C N    1 
ATOM   5355 C  CA   . PRO   C 1 89  ? 4.304   7.218   28.507 1.00 24.61  ? 334 PRO   C CA   1 
ATOM   5356 C  C    . PRO   C 1 89  ? 2.933   7.267   27.860 1.00 22.38  ? 334 PRO   C C    1 
ATOM   5357 O  O    . PRO   C 1 89  ? 2.629   8.161   27.067 1.00 22.97  ? 334 PRO   C O    1 
ATOM   5358 C  CB   . PRO   C 1 89  ? 4.325   8.055   29.789 1.00 29.06  ? 334 PRO   C CB   1 
ATOM   5359 C  CG   . PRO   C 1 89  ? 4.637   9.426   29.287 1.00 31.66  ? 334 PRO   C CG   1 
ATOM   5360 C  CD   . PRO   C 1 89  ? 5.645   9.223   28.172 1.00 29.59  ? 334 PRO   C CD   1 
ATOM   5361 H  HA   . PRO   C 1 89  ? 4.543   6.299   28.702 1.00 29.56  ? 334 PRO   C HA   1 
ATOM   5362 H  HB2  . PRO   C 1 89  ? 3.459   8.026   30.226 1.00 34.90  ? 334 PRO   C HB2  1 
ATOM   5363 H  HB3  . PRO   C 1 89  ? 5.012   7.733   30.392 1.00 34.90  ? 334 PRO   C HB3  1 
ATOM   5364 H  HG2  . PRO   C 1 89  ? 3.829   9.846   28.951 1.00 38.01  ? 334 PRO   C HG2  1 
ATOM   5365 H  HG3  . PRO   C 1 89  ? 5.015   9.961   30.002 1.00 38.01  ? 334 PRO   C HG3  1 
ATOM   5366 H  HD2  . PRO   C 1 89  ? 5.524   9.882   27.471 1.00 35.54  ? 334 PRO   C HD2  1 
ATOM   5367 H  HD3  . PRO   C 1 89  ? 6.552   9.264   28.513 1.00 35.54  ? 334 PRO   C HD3  1 
ATOM   5368 N  N    . LEU   C 1 90  ? 2.095   6.275   28.204 1.00 23.05  ? 335 LEU   C N    1 
ATOM   5369 C  CA   . LEU   C 1 90  ? 0.693   6.296   27.792 1.00 24.23  ? 335 LEU   C CA   1 
ATOM   5370 C  C    . LEU   C 1 90  ? -0.020  7.393   28.573 1.00 26.31  ? 335 LEU   C C    1 
ATOM   5371 O  O    . LEU   C 1 90  ? 0.006   7.392   29.810 1.00 29.55  ? 335 LEU   C O    1 
ATOM   5372 C  CB   . LEU   C 1 90  ? 0.037   4.953   28.040 1.00 22.76  ? 335 LEU   C CB   1 
ATOM   5373 C  CG   . LEU   C 1 90  ? -1.418  4.824   27.586 1.00 21.88  ? 335 LEU   C CG   1 
ATOM   5374 C  CD1  . LEU   C 1 90  ? -1.513  5.020   26.079 1.00 19.52  ? 335 LEU   C CD1  1 
ATOM   5375 C  CD2  . LEU   C 1 90  ? -1.996  3.474   27.998 1.00 21.93  ? 335 LEU   C CD2  1 
ATOM   5376 H  H    . LEU   C 1 90  ? 2.316   5.588   28.672 1.00 27.69  ? 335 LEU   C H    1 
ATOM   5377 H  HA   . LEU   C 1 90  ? 0.630   6.477   26.841 1.00 29.11  ? 335 LEU   C HA   1 
ATOM   5378 H  HB2  . LEU   C 1 90  ? 0.547   4.276   27.568 1.00 27.34  ? 335 LEU   C HB2  1 
ATOM   5379 H  HB3  . LEU   C 1 90  ? 0.057   4.778   28.994 1.00 27.34  ? 335 LEU   C HB3  1 
ATOM   5380 H  HG   . LEU   C 1 90  ? -1.949  5.511   28.017 1.00 26.28  ? 335 LEU   C HG   1 
ATOM   5381 H  HD11 . LEU   C 1 90  ? -2.399  4.756   25.782 1.00 23.45  ? 335 LEU   C HD11 1 
ATOM   5382 H  HD12 . LEU   C 1 90  ? -1.359  5.955   25.872 1.00 23.45  ? 335 LEU   C HD12 1 
ATOM   5383 H  HD13 . LEU   C 1 90  ? -0.842  4.470   25.646 1.00 23.45  ? 335 LEU   C HD13 1 
ATOM   5384 H  HD21 . LEU   C 1 90  ? -2.909  3.410   27.675 1.00 26.34  ? 335 LEU   C HD21 1 
ATOM   5385 H  HD22 . LEU   C 1 90  ? -1.457  2.768   27.608 1.00 26.34  ? 335 LEU   C HD22 1 
ATOM   5386 H  HD23 . LEU   C 1 90  ? -1.981  3.406   28.965 1.00 26.34  ? 335 LEU   C HD23 1 
ATOM   5387 N  N    . LEU   C 1 91  ? -0.624  8.342   27.865 1.00 23.93  ? 336 LEU   C N    1 
ATOM   5388 C  CA   . LEU   C 1 91  ? -1.251  9.482   28.524 1.00 23.49  ? 336 LEU   C CA   1 
ATOM   5389 C  C    . LEU   C 1 91  ? -2.690  9.157   28.936 1.00 23.09  ? 336 LEU   C C    1 
ATOM   5390 O  O    . LEU   C 1 91  ? -3.322  8.253   28.382 1.00 21.55  ? 336 LEU   C O    1 
ATOM   5391 C  CB   . LEU   C 1 91  ? -1.248  10.694  27.590 1.00 25.07  ? 336 LEU   C CB   1 
ATOM   5392 C  CG   . LEU   C 1 91  ? 0.126   11.197  27.153 1.00 29.36  ? 336 LEU   C CG   1 
ATOM   5393 C  CD1  . LEU   C 1 91  ? -0.043  12.289  26.084 1.00 29.14  ? 336 LEU   C CD1  1 
ATOM   5394 C  CD2  . LEU   C 1 91  ? 0.953   11.712  28.339 1.00 34.17  ? 336 LEU   C CD2  1 
ATOM   5395 H  H    . LEU   C 1 91  ? -0.684  8.347   27.007 1.00 28.74  ? 336 LEU   C H    1 
ATOM   5396 H  HA   . LEU   C 1 91  ? -0.748  9.705   29.323 1.00 28.21  ? 336 LEU   C HA   1 
ATOM   5397 H  HB2  . LEU   C 1 91  ? -1.737  10.459  26.786 1.00 30.11  ? 336 LEU   C HB2  1 
ATOM   5398 H  HB3  . LEU   C 1 91  ? -1.691  11.428  28.045 1.00 30.11  ? 336 LEU   C HB3  1 
ATOM   5399 H  HG   . LEU   C 1 91  ? 0.625   10.457  26.773 1.00 35.25  ? 336 LEU   C HG   1 
ATOM   5400 H  HD11 . LEU   C 1 91  ? 0.833   12.601  25.809 1.00 35.00  ? 336 LEU   C HD11 1 
ATOM   5401 H  HD12 . LEU   C 1 91  ? -0.515  11.915  25.323 1.00 35.00  ? 336 LEU   C HD12 1 
ATOM   5402 H  HD13 . LEU   C 1 91  ? -0.553  13.023  26.460 1.00 35.00  ? 336 LEU   C HD13 1 
ATOM   5403 H  HD21 . LEU   C 1 91  ? 1.794   12.065  28.008 1.00 41.04  ? 336 LEU   C HD21 1 
ATOM   5404 H  HD22 . LEU   C 1 91  ? 0.456   12.412  28.791 1.00 41.04  ? 336 LEU   C HD22 1 
ATOM   5405 H  HD23 . LEU   C 1 91  ? 1.120   10.977  28.950 1.00 41.04  ? 336 LEU   C HD23 1 
ATOM   5406 N  N    . PRO   C 1 92  ? -3.220  9.861   29.937 1.00 24.80  ? 337 PRO   C N    1 
ATOM   5407 C  CA   . PRO   C 1 92  ? -4.587  9.579   30.386 1.00 25.00  ? 337 PRO   C CA   1 
ATOM   5408 C  C    . PRO   C 1 92  ? -5.641  9.801   29.321 1.00 23.66  ? 337 PRO   C C    1 
ATOM   5409 O  O    . PRO   C 1 92  ? -6.711  9.188   29.391 1.00 23.34  ? 337 PRO   C O    1 
ATOM   5410 C  CB   . PRO   C 1 92  ? -4.794  10.557  31.562 1.00 29.47  ? 337 PRO   C CB   1 
ATOM   5411 C  CG   . PRO   C 1 92  ? -3.436  10.978  31.972 1.00 31.35  ? 337 PRO   C CG   1 
ATOM   5412 C  CD   . PRO   C 1 92  ? -2.541  10.868  30.783 1.00 28.68  ? 337 PRO   C CD   1 
ATOM   5413 H  HA   . PRO   C 1 92  ? -4.630  8.664   30.705 1.00 30.03  ? 337 PRO   C HA   1 
ATOM   5414 H  HB2  . PRO   C 1 92  ? -5.317  11.319  31.266 1.00 35.40  ? 337 PRO   C HB2  1 
ATOM   5415 H  HB3  . PRO   C 1 92  ? -5.250  10.104  32.289 1.00 35.40  ? 337 PRO   C HB3  1 
ATOM   5416 H  HG2  . PRO   C 1 92  ? -3.467  11.896  32.284 1.00 37.65  ? 337 PRO   C HG2  1 
ATOM   5417 H  HG3  . PRO   C 1 92  ? -3.123  10.397  32.683 1.00 37.65  ? 337 PRO   C HG3  1 
ATOM   5418 H  HD2  . PRO   C 1 92  ? -2.474  11.718  30.321 1.00 34.45  ? 337 PRO   C HD2  1 
ATOM   5419 H  HD3  . PRO   C 1 92  ? -1.658  10.561  31.043 1.00 34.45  ? 337 PRO   C HD3  1 
ATOM   5420 N  N    . SER   C 1 93  ? -5.378  10.680  28.352 1.00 23.66  ? 338 SER   C N    1 
ATOM   5421 C  CA   . SER   C 1 93  ? -6.279  10.925  27.233 1.00 23.03  ? 338 SER   C CA   1 
ATOM   5422 C  C    . SER   C 1 93  ? -6.462  9.722   26.325 1.00 20.38  ? 338 SER   C C    1 
ATOM   5423 O  O    . SER   C 1 93  ? -7.312  9.772   25.407 1.00 20.12  ? 338 SER   C O    1 
ATOM   5424 C  CB   . SER   C 1 93  ? -5.738  12.090  26.417 1.00 24.26  ? 338 SER   C CB   1 
ATOM   5425 O  OG   . SER   C 1 93  ? -4.376  11.840  26.071 1.00 24.63  ? 338 SER   C OG   1 
ATOM   5426 H  H    . SER   C 1 93  ? -4.664  11.159  28.319 1.00 28.42  ? 338 SER   C H    1 
ATOM   5427 H  HA   . SER   C 1 93  ? -7.153  11.153  27.586 1.00 27.66  ? 338 SER   C HA   1 
ATOM   5428 H  HB2  . SER   C 1 93  ? -6.262  12.184  25.606 1.00 29.14  ? 338 SER   C HB2  1 
ATOM   5429 H  HB3  . SER   C 1 93  ? -5.791  12.903  26.943 1.00 29.14  ? 338 SER   C HB3  1 
ATOM   5430 H  HG   . SER   C 1 93  ? -4.064  12.493  25.645 1.00 29.58  ? 338 SER   C HG   1 
ATOM   5431 N  N    . PHE   C 1 94  ? -5.689  8.655   26.529 1.00 20.02  ? 339 PHE   C N    1 
ATOM   5432 C  CA   . PHE   C 1 94  ? -5.807  7.447   25.723 1.00 20.07  ? 339 PHE   C CA   1 
ATOM   5433 C  C    . PHE   C 1 94  ? -6.493  6.302   26.457 1.00 21.23  ? 339 PHE   C C    1 
ATOM   5434 O  O    . PHE   C 1 94  ? -6.792  5.271   25.829 1.00 21.97  ? 339 PHE   C O    1 
ATOM   5435 C  CB   . PHE   C 1 94  ? -4.418  7.010   25.251 1.00 19.72  ? 339 PHE   C CB   1 
ATOM   5436 C  CG   . PHE   C 1 94  ? -3.860  7.863   24.146 1.00 24.03  ? 339 PHE   C CG   1 
ATOM   5437 C  CD1  . PHE   C 1 94  ? -3.373  9.132   24.415 1.00 28.01  ? 339 PHE   C CD1  1 
ATOM   5438 C  CD2  . PHE   C 1 94  ? -3.835  7.397   22.832 1.00 23.94  ? 339 PHE   C CD2  1 
ATOM   5439 C  CE1  . PHE   C 1 94  ? -2.851  9.926   23.400 1.00 28.57  ? 339 PHE   C CE1  1 
ATOM   5440 C  CE2  . PHE   C 1 94  ? -3.324  8.178   21.814 1.00 24.49  ? 339 PHE   C CE2  1 
ATOM   5441 C  CZ   . PHE   C 1 94  ? -2.832  9.451   22.100 1.00 26.76  ? 339 PHE   C CZ   1 
ATOM   5442 H  H    . PHE   C 1 94  ? -5.082  8.610   27.136 1.00 23.98  ? 339 PHE   C H    1 
ATOM   5443 H  HA   . PHE   C 1 94  ? -6.339  7.636   24.934 1.00 24.11  ? 339 PHE   C HA   1 
ATOM   5444 H  HB2  . PHE   C 1 94  ? -3.804  7.057   26.000 1.00 23.69  ? 339 PHE   C HB2  1 
ATOM   5445 H  HB3  . PHE   C 1 94  ? -4.471  6.099   24.923 1.00 23.69  ? 339 PHE   C HB3  1 
ATOM   5446 H  HD1  . PHE   C 1 94  ? -3.395  9.456   25.286 1.00 33.64  ? 339 PHE   C HD1  1 
ATOM   5447 H  HD2  . PHE   C 1 94  ? -4.166  6.550   22.639 1.00 28.76  ? 339 PHE   C HD2  1 
ATOM   5448 H  HE1  . PHE   C 1 94  ? -2.517  10.773  23.593 1.00 34.31  ? 339 PHE   C HE1  1 
ATOM   5449 H  HE2  . PHE   C 1 94  ? -3.309  7.857   20.941 1.00 29.41  ? 339 PHE   C HE2  1 
ATOM   5450 H  HZ   . PHE   C 1 94  ? -2.490  9.981   21.416 1.00 32.14  ? 339 PHE   C HZ   1 
ATOM   5451 N  N    . LYS   C 1 95  ? -6.799  6.476   27.750 1.00 20.30  ? 340 LYS   C N    1 
ATOM   5452 C  CA   . LYS   C 1 95  ? -7.425  5.406   28.509 1.00 21.34  ? 340 LYS   C CA   1 
ATOM   5453 C  C    . LYS   C 1 95  ? -8.764  4.989   27.915 1.00 20.02  ? 340 LYS   C C    1 
ATOM   5454 O  O    . LYS   C 1 95  ? -9.151  3.825   28.038 1.00 19.85  ? 340 LYS   C O    1 
ATOM   5455 C  CB   . LYS   C 1 95  ? -7.609  5.826   29.965 1.00 29.81  ? 340 LYS   C CB   1 
ATOM   5456 C  CG   . LYS   C 1 95  ? -6.310  6.062   30.715 1.00 46.01  ? 340 LYS   C CG   1 
ATOM   5457 C  CD   . LYS   C 1 95  ? -6.550  6.365   32.204 1.00 67.07  ? 340 LYS   C CD   1 
ATOM   5458 C  CE   . LYS   C 1 95  ? -7.222  7.723   32.405 1.00 89.39  ? 340 LYS   C CE   1 
ATOM   5459 N  NZ   . LYS   C 1 95  ? -7.267  8.139   33.840 1.00 106.26 ? 340 LYS   C NZ   1 
ATOM   5460 H  H    . LYS   C 1 95  ? -6.656  7.195   28.200 1.00 24.38  ? 340 LYS   C H    1 
ATOM   5461 H  HA   . LYS   C 1 95  ? -6.836  4.636   28.486 1.00 25.64  ? 340 LYS   C HA   1 
ATOM   5462 H  HB2  . LYS   C 1 95  ? -8.115  6.653   29.988 1.00 35.80  ? 340 LYS   C HB2  1 
ATOM   5463 H  HB3  . LYS   C 1 95  ? -8.094  5.127   30.430 1.00 35.80  ? 340 LYS   C HB3  1 
ATOM   5464 H  HG2  . LYS   C 1 95  ? -5.757  5.267   30.654 1.00 55.24  ? 340 LYS   C HG2  1 
ATOM   5465 H  HG3  . LYS   C 1 95  ? -5.848  6.819   30.323 1.00 55.24  ? 340 LYS   C HG3  1 
ATOM   5466 H  HD2  . LYS   C 1 95  ? -7.126  5.682   32.581 1.00 80.52  ? 340 LYS   C HD2  1 
ATOM   5467 H  HD3  . LYS   C 1 95  ? -5.699  6.376   32.670 1.00 80.52  ? 340 LYS   C HD3  1 
ATOM   5468 H  HE2  . LYS   C 1 95  ? -6.727  8.396   31.913 1.00 107.30 ? 340 LYS   C HE2  1 
ATOM   5469 H  HE3  . LYS   C 1 95  ? -8.134  7.676   32.077 1.00 107.30 ? 340 LYS   C HE3  1 
ATOM   5470 H  HZ1  . LYS   C 1 95  ? -7.590  8.965   33.908 1.00 127.54 ? 340 LYS   C HZ1  1 
ATOM   5471 H  HZ2  . LYS   C 1 95  ? -7.790  7.585   34.301 1.00 127.54 ? 340 LYS   C HZ2  1 
ATOM   5472 H  HZ3  . LYS   C 1 95  ? -6.448  8.120   34.189 1.00 127.54 ? 340 LYS   C HZ3  1 
ATOM   5473 N  N    . GLN   C 1 96  ? -9.464  5.908   27.262 1.00 19.75  ? 341 GLN   C N    1 
ATOM   5474 C  CA   . GLN   C 1 96  ? -10.750 5.601   26.661 1.00 20.16  ? 341 GLN   C CA   1 
ATOM   5475 C  C    . GLN   C 1 96  ? -10.692 4.466   25.642 1.00 18.66  ? 341 GLN   C C    1 
ATOM   5476 O  O    . GLN   C 1 96  ? -11.728 3.866   25.341 1.00 19.70  ? 341 GLN   C O    1 
ATOM   5477 C  CB   . GLN   C 1 96  ? -11.302 6.848   25.968 1.00 22.18  ? 341 GLN   C CB   1 
ATOM   5478 C  CG   . GLN   C 1 96  ? -10.338 7.439   24.943 1.00 21.55  ? 341 GLN   C CG   1 
ATOM   5479 C  CD   . GLN   C 1 96  ? -10.926 8.608   24.182 1.00 20.94  ? 341 GLN   C CD   1 
ATOM   5480 O  OE1  . GLN   C 1 96  ? -12.041 8.529   23.646 1.00 19.11  ? 341 GLN   C OE1  1 
ATOM   5481 N  NE2  . GLN   C 1 96  ? -10.176 9.705   24.123 1.00 23.03  ? 341 GLN   C NE2  1 
ATOM   5482 H  H    . GLN   C 1 96  ? -9.215  6.724   27.151 1.00 23.56  ? 341 GLN   C H    1 
ATOM   5483 H  HA   . GLN   C 1 96  ? -11.348 5.328   27.374 1.00 24.22  ? 341 GLN   C HA   1 
ATOM   5484 H  HB2  . GLN   C 1 96  ? -12.123 6.613   25.506 1.00 26.65  ? 341 GLN   C HB2  1 
ATOM   5485 H  HB3  . GLN   C 1 96  ? -11.481 7.526   26.637 1.00 26.65  ? 341 GLN   C HB3  1 
ATOM   5486 H  HG2  . GLN   C 1 96  ? -9.542  7.751   25.402 1.00 25.89  ? 341 GLN   C HG2  1 
ATOM   5487 H  HG3  . GLN   C 1 96  ? -10.102 6.752   24.299 1.00 25.89  ? 341 GLN   C HG3  1 
ATOM   5488 H  HE21 . GLN   C 1 96  ? -9.406  9.720   24.505 1.00 27.66  ? 341 GLN   C HE21 1 
ATOM   5489 H  HE22 . GLN   C 1 96  ? -10.462 10.399  23.704 1.00 27.66  ? 341 GLN   C HE22 1 
ATOM   5490 N  N    . TYR   C 1 97  ? -9.534  4.181   25.073 1.00 18.03  ? 342 TYR   C N    1 
ATOM   5491 C  CA   . TYR   C 1 97  ? -9.478  3.271   23.929 1.00 17.34  ? 342 TYR   C CA   1 
ATOM   5492 C  C    . TYR   C 1 97  ? -9.434  1.805   24.332 1.00 18.54  ? 342 TYR   C C    1 
ATOM   5493 O  O    . TYR   C 1 97  ? -9.705  0.952   23.488 1.00 18.27  ? 342 TYR   C O    1 
ATOM   5494 C  CB   . TYR   C 1 97  ? -8.283  3.619   23.052 1.00 16.72  ? 342 TYR   C CB   1 
ATOM   5495 C  CG   . TYR   C 1 97  ? -8.361  5.053   22.522 1.00 17.30  ? 342 TYR   C CG   1 
ATOM   5496 C  CD1  . TYR   C 1 97  ? -9.515  5.507   21.890 1.00 17.44  ? 342 TYR   C CD1  1 
ATOM   5497 C  CD2  . TYR   C 1 97  ? -7.308  5.936   22.692 1.00 17.77  ? 342 TYR   C CD2  1 
ATOM   5498 C  CE1  . TYR   C 1 97  ? -9.584  6.834   21.423 1.00 17.80  ? 342 TYR   C CE1  1 
ATOM   5499 C  CE2  . TYR   C 1 97  ? -7.375  7.250   22.235 1.00 17.40  ? 342 TYR   C CE2  1 
ATOM   5500 C  CZ   . TYR   C 1 97  ? -8.521  7.686   21.607 1.00 17.17  ? 342 TYR   C CZ   1 
ATOM   5501 O  OH   . TYR   C 1 97  ? -8.586  8.988   21.136 1.00 16.58  ? 342 TYR   C OH   1 
ATOM   5502 H  H    . TYR   C 1 97  ? -8.772  4.494   25.322 1.00 21.50  ? 342 TYR   C H    1 
ATOM   5503 H  HA   . TYR   C 1 97  ? -10.280 3.388   23.396 1.00 20.84  ? 342 TYR   C HA   1 
ATOM   5504 H  HB2  . TYR   C 1 97  ? -7.469  3.532   23.573 1.00 19.92  ? 342 TYR   C HB2  1 
ATOM   5505 H  HB3  . TYR   C 1 97  ? -8.258  3.016   22.293 1.00 19.92  ? 342 TYR   C HB3  1 
ATOM   5506 H  HD1  . TYR   C 1 97  ? -10.240 4.936   21.777 1.00 20.95  ? 342 TYR   C HD1  1 
ATOM   5507 H  HD2  . TYR   C 1 97  ? -6.536  5.645   23.121 1.00 21.35  ? 342 TYR   C HD2  1 
ATOM   5508 H  HE1  . TYR   C 1 97  ? -10.350 7.134   20.989 1.00 21.38  ? 342 TYR   C HE1  1 
ATOM   5509 H  HE2  . TYR   C 1 97  ? -6.655  7.827   22.353 1.00 20.90  ? 342 TYR   C HE2  1 
ATOM   5510 H  HH   . TYR   C 1 97  ? -9.338  9.131   20.790 1.00 19.75  ? 342 TYR   C HH   1 
ATOM   5511 N  N    . TRP   C 1 98  ? -9.131  1.500   25.590 1.00 16.90  ? 343 TRP   C N    1 
ATOM   5512 C  CA   . TRP   C 1 98  ? -9.185  0.129   26.058 1.00 18.29  ? 343 TRP   C CA   1 
ATOM   5513 C  C    . TRP   C 1 98  ? -10.603 -0.420  25.947 1.00 19.61  ? 343 TRP   C C    1 
ATOM   5514 O  O    . TRP   C 1 98  ? -11.572 0.230   26.370 1.00 19.36  ? 343 TRP   C O    1 
ATOM   5515 C  CB   . TRP   C 1 98  ? -8.734  0.025   27.507 1.00 18.98  ? 343 TRP   C CB   1 
ATOM   5516 C  CG   . TRP   C 1 98  ? -7.281  0.312   27.796 1.00 20.71  ? 343 TRP   C CG   1 
ATOM   5517 C  CD1  . TRP   C 1 98  ? -6.783  1.382   28.482 1.00 21.35  ? 343 TRP   C CD1  1 
ATOM   5518 C  CD2  . TRP   C 1 98  ? -6.149  -0.492  27.431 1.00 20.91  ? 343 TRP   C CD2  1 
ATOM   5519 N  NE1  . TRP   C 1 98  ? -5.420  1.283   28.583 1.00 20.29  ? 343 TRP   C NE1  1 
ATOM   5520 C  CE2  . TRP   C 1 98  ? -5.000  0.158   27.926 1.00 20.36  ? 343 TRP   C CE2  1 
ATOM   5521 C  CE3  . TRP   C 1 98  ? -5.998  -1.694  26.723 1.00 20.96  ? 343 TRP   C CE3  1 
ATOM   5522 C  CZ2  . TRP   C 1 98  ? -3.713  -0.351  27.754 1.00 21.59  ? 343 TRP   C CZ2  1 
ATOM   5523 C  CZ3  . TRP   C 1 98  ? -4.720  -2.205  26.541 1.00 19.76  ? 343 TRP   C CZ3  1 
ATOM   5524 C  CH2  . TRP   C 1 98  ? -3.595  -1.544  27.049 1.00 21.23  ? 343 TRP   C CH2  1 
ATOM   5525 H  H    . TRP   C 1 98  ? -8.893  2.069   26.189 1.00 20.30  ? 343 TRP   C H    1 
ATOM   5526 H  HA   . TRP   C 1 98  ? -8.586  -0.398  25.507 1.00 21.97  ? 343 TRP   C HA   1 
ATOM   5527 H  HB2  . TRP   C 1 98  ? -9.255  0.655   28.028 1.00 22.80  ? 343 TRP   C HB2  1 
ATOM   5528 H  HB3  . TRP   C 1 98  ? -8.907  -0.880  27.809 1.00 22.80  ? 343 TRP   C HB3  1 
ATOM   5529 H  HD1  . TRP   C 1 98  ? -7.294  2.076   28.830 1.00 25.64  ? 343 TRP   C HD1  1 
ATOM   5530 H  HE1  . TRP   C 1 98  ? -4.909  1.840   28.994 1.00 24.38  ? 343 TRP   C HE1  1 
ATOM   5531 H  HE3  . TRP   C 1 98  ? -6.740  -2.139  26.382 1.00 25.18  ? 343 TRP   C HE3  1 
ATOM   5532 H  HZ2  . TRP   C 1 98  ? -2.967  0.087   28.095 1.00 25.94  ? 343 TRP   C HZ2  1 
ATOM   5533 H  HZ3  . TRP   C 1 98  ? -4.610  -3.002  26.074 1.00 23.74  ? 343 TRP   C HZ3  1 
ATOM   5534 H  HH2  . TRP   C 1 98  ? -2.751  -1.911  26.913 1.00 25.51  ? 343 TRP   C HH2  1 
ATOM   5535 N  N    . ASN   C 1 99  ? -10.724 -1.649  25.428 1.00 21.35  ? 344 ASN   C N    1 
ATOM   5536 C  CA   . ASN   C 1 99  ? -12.020 -2.307  25.394 1.00 19.32  ? 344 ASN   C CA   1 
ATOM   5537 C  C    . ASN   C 1 99  ? -12.549 -2.476  26.810 1.00 19.74  ? 344 ASN   C C    1 
ATOM   5538 O  O    . ASN   C 1 99  ? -11.801 -2.454  27.783 1.00 17.80  ? 344 ASN   C O    1 
ATOM   5539 C  CB   . ASN   C 1 99  ? -11.931 -3.691  24.728 1.00 18.97  ? 344 ASN   C CB   1 
ATOM   5540 C  CG   . ASN   C 1 99  ? -11.702 -3.613  23.241 1.00 20.22  ? 344 ASN   C CG   1 
ATOM   5541 O  OD1  . ASN   C 1 99  ? -12.168 -2.682  22.574 1.00 20.10  ? 344 ASN   C OD1  1 
ATOM   5542 N  ND2  . ASN   C 1 99  ? -10.981 -4.587  22.706 1.00 21.63  ? 344 ASN   C ND2  1 
ATOM   5543 H  H    . ASN   C 1 99  ? -10.078 -2.110  25.097 1.00 25.65  ? 344 ASN   C H    1 
ATOM   5544 H  HA   . ASN   C 1 99  ? -12.633 -1.764  24.874 1.00 23.21  ? 344 ASN   C HA   1 
ATOM   5545 H  HB2  . ASN   C 1 99  ? -11.191 -4.183  25.119 1.00 22.79  ? 344 ASN   C HB2  1 
ATOM   5546 H  HB3  . ASN   C 1 99  ? -12.762 -4.168  24.878 1.00 22.79  ? 344 ASN   C HB3  1 
ATOM   5547 H  HD21 . ASN   C 1 99  ? -10.821 -4.589  21.861 1.00 25.99  ? 344 ASN   C HD21 1 
ATOM   5548 H  HD22 . ASN   C 1 99  ? -10.673 -5.216  23.204 1.00 25.99  ? 344 ASN   C HD22 1 
ATOM   5549 N  N    . ARG   C 1 100 ? -13.860 -2.699  26.907 1.00 22.67  ? 345 ARG   C N    1 
ATOM   5550 C  CA   . ARG   C 1 100 ? -14.494 -2.870  28.210 1.00 27.19  ? 345 ARG   C CA   1 
ATOM   5551 C  C    . ARG   C 1 100 ? -13.808 -4.017  28.956 1.00 24.58  ? 345 ARG   C C    1 
ATOM   5552 O  O    . ARG   C 1 100 ? -13.586 -5.101  28.390 1.00 23.11  ? 345 ARG   C O    1 
ATOM   5553 C  CB   . ARG   C 1 100 ? -15.978 -3.153  28.048 1.00 35.60  ? 345 ARG   C CB   1 
ATOM   5554 C  CG   . ARG   C 1 100 ? -16.749 -3.120  29.353 1.00 49.49  ? 345 ARG   C CG   1 
ATOM   5555 C  CD   . ARG   C 1 100 ? -18.247 -3.311  29.132 1.00 62.55  ? 345 ARG   C CD   1 
ATOM   5556 N  NE   . ARG   C 1 100 ? -19.001 -3.171  30.378 1.00 71.67  ? 345 ARG   C NE   1 
ATOM   5557 C  CZ   . ARG   C 1 100 ? -20.321 -3.277  30.472 1.00 76.19  ? 345 ARG   C CZ   1 
ATOM   5558 N  NH1  . ARG   C 1 100 ? -20.920 -3.111  31.644 1.00 78.55  ? 345 ARG   C NH1  1 
ATOM   5559 N  NH2  . ARG   C 1 100 ? -21.041 -3.575  29.404 1.00 76.41  ? 345 ARG   C NH2  1 
ATOM   5560 H  H    . ARG   C 1 100 ? -14.399 -2.756  26.240 1.00 27.23  ? 345 ARG   C H    1 
ATOM   5561 H  HA   . ARG   C 1 100 ? -14.409 -2.055  28.730 1.00 32.66  ? 345 ARG   C HA   1 
ATOM   5562 H  HB2  . ARG   C 1 100 ? -16.361 -2.483  27.461 1.00 42.74  ? 345 ARG   C HB2  1 
ATOM   5563 H  HB3  . ARG   C 1 100 ? -16.088 -4.035  27.661 1.00 42.74  ? 345 ARG   C HB3  1 
ATOM   5564 H  HG2  . ARG   C 1 100 ? -16.433 -3.834  29.928 1.00 59.41  ? 345 ARG   C HG2  1 
ATOM   5565 H  HG3  . ARG   C 1 100 ? -16.612 -2.262  29.784 1.00 59.41  ? 345 ARG   C HG3  1 
ATOM   5566 H  HD2  . ARG   C 1 100 ? -18.566 -2.642  28.507 1.00 75.09  ? 345 ARG   C HD2  1 
ATOM   5567 H  HD3  . ARG   C 1 100 ? -18.408 -4.200  28.779 1.00 75.09  ? 345 ARG   C HD3  1 
ATOM   5568 H  HE   . ARG   C 1 100 ? -18.559 -3.008  31.098 1.00 86.03  ? 345 ARG   C HE   1 
ATOM   5569 H  HH11 . ARG   C 1 100 ? -20.453 -2.934  32.345 1.00 94.29  ? 345 ARG   C HH11 1 
ATOM   5570 H  HH12 . ARG   C 1 100 ? -21.775 -3.180  31.704 1.00 94.29  ? 345 ARG   C HH12 1 
ATOM   5571 H  HH21 . ARG   C 1 100 ? -20.654 -3.701  28.646 1.00 91.73  ? 345 ARG   C HH21 1 
ATOM   5572 H  HH22 . ARG   C 1 100 ? -21.896 -3.643  29.466 1.00 91.73  ? 345 ARG   C HH22 1 
ATOM   5573 N  N    . GLY   C 1 101 ? -13.426 -3.760  30.201 1.00 24.77  ? 346 GLY   C N    1 
ATOM   5574 C  CA   . GLY   C 1 101 ? -12.750 -4.739  31.011 1.00 26.79  ? 346 GLY   C CA   1 
ATOM   5575 C  C    . GLY   C 1 101 ? -11.248 -4.789  30.854 1.00 27.11  ? 346 GLY   C C    1 
ATOM   5576 O  O    . GLY   C 1 101 ? -10.587 -5.494  31.622 1.00 27.94  ? 346 GLY   C O    1 
ATOM   5577 H  H    . GLY   C 1 101 ? -13.555 -3.008  30.598 1.00 29.75  ? 346 GLY   C H    1 
ATOM   5578 H  HA2  . GLY   C 1 101 ? -12.942 -4.553  31.943 1.00 32.18  ? 346 GLY   C HA2  1 
ATOM   5579 H  HA3  . GLY   C 1 101 ? -13.097 -5.617  30.786 1.00 32.18  ? 346 GLY   C HA3  1 
ATOM   5580 N  N    . GLU   C 1 102 ? -10.692 -4.090  29.890 1.00 24.43  ? 347 GLU   C N    1 
ATOM   5581 C  CA   . GLU   C 1 102 ? -9.253  -4.129  29.656 1.00 23.74  ? 347 GLU   C CA   1 
ATOM   5582 C  C    . GLU   C 1 102 ? -8.576  -2.896  30.234 1.00 23.74  ? 347 GLU   C C    1 
ATOM   5583 O  O    . GLU   C 1 102 ? -9.219  -1.860  30.431 1.00 21.51  ? 347 GLU   C O    1 
ATOM   5584 C  CB   . GLU   C 1 102 ? -8.972  -4.214  28.152 1.00 22.47  ? 347 GLU   C CB   1 
ATOM   5585 C  CG   . GLU   C 1 102 ? -9.808  -5.275  27.424 1.00 23.10  ? 347 GLU   C CG   1 
ATOM   5586 C  CD   . GLU   C 1 102 ? -9.458  -6.717  27.831 1.00 23.45  ? 347 GLU   C CD   1 
ATOM   5587 O  OE1  . GLU   C 1 102 ? -8.415  -6.934  28.514 1.00 23.88  ? 347 GLU   C OE1  1 
ATOM   5588 O  OE2  . GLU   C 1 102 ? -10.227 -7.644  27.448 1.00 22.08  ? 347 GLU   C OE2  1 
ATOM   5589 H  H    . GLU   C 1 102 ? -11.125 -3.580  29.350 1.00 29.35  ? 347 GLU   C H    1 
ATOM   5590 H  HA   . GLU   C 1 102 ? -8.873  -4.911  30.087 1.00 28.52  ? 347 GLU   C HA   1 
ATOM   5591 H  HB2  . GLU   C 1 102 ? -9.170  -3.354  27.750 1.00 26.99  ? 347 GLU   C HB2  1 
ATOM   5592 H  HB3  . GLU   C 1 102 ? -8.036  -4.434  28.022 1.00 26.99  ? 347 GLU   C HB3  1 
ATOM   5593 H  HG2  . GLU   C 1 102 ? -10.746 -5.129  27.626 1.00 27.75  ? 347 GLU   C HG2  1 
ATOM   5594 H  HG3  . GLU   C 1 102 ? -9.658  -5.191  26.469 1.00 27.75  ? 347 GLU   C HG3  1 
ATOM   5595 N  N    . PRO   C 1 103 ? -7.266  -2.975  30.536 1.00 26.25  ? 348 PRO   C N    1 
ATOM   5596 C  CA   . PRO   C 1 103 ? -6.413  -4.170  30.469 1.00 26.40  ? 348 PRO   C CA   1 
ATOM   5597 C  C    . PRO   C 1 103 ? -6.601  -5.054  31.693 1.00 28.02  ? 348 PRO   C C    1 
ATOM   5598 O  O    . PRO   C 1 103 ? -6.618  -4.525  32.784 1.00 28.75  ? 348 PRO   C O    1 
ATOM   5599 C  CB   . PRO   C 1 103 ? -4.998  -3.588  30.429 1.00 27.76  ? 348 PRO   C CB   1 
ATOM   5600 C  CG   . PRO   C 1 103 ? -5.093  -2.313  31.165 1.00 30.04  ? 348 PRO   C CG   1 
ATOM   5601 C  CD   . PRO   C 1 103 ? -6.502  -1.780  30.944 1.00 29.45  ? 348 PRO   C CD   1 
ATOM   5602 H  HA   . PRO   C 1 103 ? -6.572  -4.681  29.660 1.00 31.71  ? 348 PRO   C HA   1 
ATOM   5603 H  HB2  . PRO   C 1 103 ? -4.378  -4.195  30.863 1.00 33.34  ? 348 PRO   C HB2  1 
ATOM   5604 H  HB3  . PRO   C 1 103 ? -4.727  -3.439  29.510 1.00 33.34  ? 348 PRO   C HB3  1 
ATOM   5605 H  HG2  . PRO   C 1 103 ? -4.935  -2.472  32.109 1.00 36.08  ? 348 PRO   C HG2  1 
ATOM   5606 H  HG3  . PRO   C 1 103 ? -4.436  -1.690  30.819 1.00 36.08  ? 348 PRO   C HG3  1 
ATOM   5607 H  HD2  . PRO   C 1 103 ? -6.860  -1.406  31.764 1.00 35.37  ? 348 PRO   C HD2  1 
ATOM   5608 H  HD3  . PRO   C 1 103 ? -6.510  -1.110  30.243 1.00 35.37  ? 348 PRO   C HD3  1 
ATOM   5609 N  N    . ASN   C 1 104 ? -6.748  -6.375  31.507 1.00 28.78  ? 349 ASN   C N    1 
ATOM   5610 C  CA   . ASN   C 1 104 ? -7.024  -7.272  32.620 1.00 27.83  ? 349 ASN   C CA   1 
ATOM   5611 C  C    . ASN   C 1 104 ? -5.898  -8.235  32.934 1.00 27.19  ? 349 ASN   C C    1 
ATOM   5612 O  O    . ASN   C 1 104 ? -6.020  -8.984  33.897 1.00 30.10  ? 349 ASN   C O    1 
ATOM   5613 C  CB   . ASN   C 1 104 ? -8.299  -8.087  32.345 1.00 27.47  ? 349 ASN   C CB   1 
ATOM   5614 C  CG   . ASN   C 1 104 ? -8.220  -8.881  31.051 1.00 25.20  ? 349 ASN   C CG   1 
ATOM   5615 O  OD1  . ASN   C 1 104 ? -7.166  -8.952  30.411 1.00 23.87  ? 349 ASN   C OD1  1 
ATOM   5616 N  ND2  . ASN   C 1 104 ? -9.313  -9.525  30.699 1.00 24.18  ? 349 ASN   C ND2  1 
ATOM   5617 H  H    . ASN   C 1 104 ? -6.691  -6.767  30.743 1.00 34.57  ? 349 ASN   C H    1 
ATOM   5618 H  HA   . ASN   C 1 104 ? -7.171  -6.727  33.409 1.00 33.42  ? 349 ASN   C HA   1 
ATOM   5619 H  HB2  . ASN   C 1 104 ? -8.438  -8.712  33.073 1.00 33.00  ? 349 ASN   C HB2  1 
ATOM   5620 H  HB3  . ASN   C 1 104 ? -9.053  -7.481  32.279 1.00 33.00  ? 349 ASN   C HB3  1 
ATOM   5621 H  HD21 . ASN   C 1 104 ? -9.324  -9.990  29.976 1.00 29.04  ? 349 ASN   C HD21 1 
ATOM   5622 H  HD22 . ASN   C 1 104 ? -10.017 -9.480  31.192 1.00 29.04  ? 349 ASN   C HD22 1 
ATOM   5623 N  N    . ASN   C 1 105 ? -4.828  -8.249  32.152 1.00 24.33  ? 350 ASN   C N    1 
ATOM   5624 C  CA   . ASN   C 1 105 ? -3.626  -9.033  32.442 1.00 27.09  ? 350 ASN   C CA   1 
ATOM   5625 C  C    . ASN   C 1 105 ? -3.937  -10.510 32.670 1.00 32.15  ? 350 ASN   C C    1 
ATOM   5626 O  O    . ASN   C 1 105 ? -3.273  -11.175 33.473 1.00 34.91  ? 350 ASN   C O    1 
ATOM   5627 C  CB   . ASN   C 1 105 ? -2.891  -8.452  33.667 1.00 26.76  ? 350 ASN   C CB   1 
ATOM   5628 C  CG   . ASN   C 1 105 ? -1.455  -8.871  33.738 1.00 30.72  ? 350 ASN   C CG   1 
ATOM   5629 O  OD1  . ASN   C 1 105 ? -0.730  -8.834  32.742 1.00 29.05  ? 350 ASN   C OD1  1 
ATOM   5630 N  ND2  . ASN   C 1 105 ? -1.010  -9.258  34.938 1.00 36.04  ? 350 ASN   C ND2  1 
ATOM   5631 H  H    . ASN   C 1 105 ? -4.767  -7.799  31.422 1.00 29.23  ? 350 ASN   C H    1 
ATOM   5632 H  HA   . ASN   C 1 105 ? -3.044  -8.984  31.668 1.00 32.54  ? 350 ASN   C HA   1 
ATOM   5633 H  HB2  . ASN   C 1 105 ? -2.919  -7.484  33.622 1.00 32.14  ? 350 ASN   C HB2  1 
ATOM   5634 H  HB3  . ASN   C 1 105 ? -3.332  -8.759  34.475 1.00 32.14  ? 350 ASN   C HB3  1 
ATOM   5635 H  HD21 . ASN   C 1 105 ? -0.193  -9.508  35.033 1.00 43.27  ? 350 ASN   C HD21 1 
ATOM   5636 H  HD22 . ASN   C 1 105 ? -1.542  -9.257  35.614 1.00 43.27  ? 350 ASN   C HD22 1 
ATOM   5637 N  N    . VAL   C 1 106 ? -4.956  -11.050 31.995 1.00 33.46  ? 351 VAL   C N    1 
ATOM   5638 C  CA   . VAL   C 1 106 ? -5.388  -12.414 32.317 1.00 35.29  ? 351 VAL   C CA   1 
ATOM   5639 C  C    . VAL   C 1 106 ? -4.347  -13.404 31.809 1.00 36.36  ? 351 VAL   C C    1 
ATOM   5640 O  O    . VAL   C 1 106 ? -4.055  -13.471 30.613 1.00 33.63  ? 351 VAL   C O    1 
ATOM   5641 C  CB   . VAL   C 1 106 ? -6.785  -12.708 31.759 1.00 37.29  ? 351 VAL   C CB   1 
ATOM   5642 C  CG1  . VAL   C 1 106 ? -6.866  -12.529 30.268 1.00 36.83  ? 351 VAL   C CG1  1 
ATOM   5643 C  CG2  . VAL   C 1 106 ? -7.192  -14.124 32.142 1.00 39.30  ? 351 VAL   C CG2  1 
ATOM   5644 H  H    . VAL   C 1 106 ? -5.398  -10.662 31.368 1.00 40.18  ? 351 VAL   C H    1 
ATOM   5645 H  HA   . VAL   C 1 106 ? -5.437  -12.505 33.282 1.00 42.38  ? 351 VAL   C HA   1 
ATOM   5646 H  HB   . VAL   C 1 106 ? -7.403  -12.069 32.147 1.00 44.78  ? 351 VAL   C HB   1 
ATOM   5647 H  HG11 . VAL   C 1 106 ? -7.761  -12.757 29.971 1.00 44.22  ? 351 VAL   C HG11 1 
ATOM   5648 H  HG12 . VAL   C 1 106 ? -6.671  -11.604 30.050 1.00 44.22  ? 351 VAL   C HG12 1 
ATOM   5649 H  HG13 . VAL   C 1 106 ? -6.218  -13.112 29.844 1.00 44.22  ? 351 VAL   C HG13 1 
ATOM   5650 H  HG21 . VAL   C 1 106 ? -8.140  -14.237 31.972 1.00 47.19  ? 351 VAL   C HG21 1 
ATOM   5651 H  HG22 . VAL   C 1 106 ? -6.683  -14.754 31.608 1.00 47.19  ? 351 VAL   C HG22 1 
ATOM   5652 H  HG23 . VAL   C 1 106 ? -7.006  -14.263 33.084 1.00 47.19  ? 351 VAL   C HG23 1 
ATOM   5653 N  N    . GLY   C 1 107 ? -3.762  -14.174 32.723 1.00 41.72  ? 352 GLY   C N    1 
ATOM   5654 C  CA   . GLY   C 1 107 ? -2.655  -15.037 32.367 1.00 44.85  ? 352 GLY   C CA   1 
ATOM   5655 C  C    . GLY   C 1 107 ? -1.374  -14.299 32.070 1.00 47.31  ? 352 GLY   C C    1 
ATOM   5656 O  O    . GLY   C 1 107 ? -0.507  -14.836 31.376 1.00 52.61  ? 352 GLY   C O    1 
ATOM   5657 H  H    . GLY   C 1 107 ? -3.988  -14.211 33.552 1.00 50.09  ? 352 GLY   C H    1 
ATOM   5658 H  HA2  . GLY   C 1 107 ? -2.485  -15.650 33.100 1.00 53.85  ? 352 GLY   C HA2  1 
ATOM   5659 H  HA3  . GLY   C 1 107 ? -2.896  -15.548 31.578 1.00 53.85  ? 352 GLY   C HA3  1 
ATOM   5660 N  N    . GLU   C 1 108 ? -1.234  -13.071 32.584 1.00 42.52  ? 353 GLU   C N    1 
ATOM   5661 C  CA   . GLU   C 1 108 ? -0.082  -12.211 32.343 1.00 41.15  ? 353 GLU   C CA   1 
ATOM   5662 C  C    . GLU   C 1 108 ? -0.017  -11.771 30.878 1.00 35.23  ? 353 GLU   C C    1 
ATOM   5663 O  O    . GLU   C 1 108 ? 0.484   -12.497 30.018 1.00 33.23  ? 353 GLU   C O    1 
ATOM   5664 C  CB   . GLU   C 1 108 ? 1.209   -12.899 32.767 1.00 47.85  ? 353 GLU   C CB   1 
ATOM   5665 C  CG   . GLU   C 1 108 ? 2.198   -11.951 33.442 1.00 56.00  ? 353 GLU   C CG   1 
ATOM   5666 C  CD   . GLU   C 1 108 ? 1.633   -11.298 34.697 1.00 62.93  ? 353 GLU   C CD   1 
ATOM   5667 O  OE1  . GLU   C 1 108 ? 0.972   -12.007 35.494 1.00 66.17  ? 353 GLU   C OE1  1 
ATOM   5668 O  OE2  . GLU   C 1 108 ? 1.837   -10.070 34.871 1.00 64.11  ? 353 GLU   C OE2  1 
ATOM   5669 H  H    . GLU   C 1 108 ? -1.819  -12.702 33.095 1.00 51.05  ? 353 GLU   C H    1 
ATOM   5670 H  HA   . GLU   C 1 108 ? -0.174  -11.411 32.883 1.00 49.41  ? 353 GLU   C HA   1 
ATOM   5671 H  HB2  . GLU   C 1 108 ? 0.997   -13.607 33.396 1.00 57.44  ? 353 GLU   C HB2  1 
ATOM   5672 H  HB3  . GLU   C 1 108 ? 1.640   -13.271 31.982 1.00 57.44  ? 353 GLU   C HB3  1 
ATOM   5673 H  HG2  . GLU   C 1 108 ? 2.991   -12.451 33.696 1.00 67.22  ? 353 GLU   C HG2  1 
ATOM   5674 H  HG3  . GLU   C 1 108 ? 2.435   -11.247 32.819 1.00 67.22  ? 353 GLU   C HG3  1 
ATOM   5675 N  N    . GLU   C 1 109 ? -0.520  -10.569 30.606 1.00 32.53  ? 354 GLU   C N    1 
ATOM   5676 C  CA   . GLU   C 1 109 ? -0.601  -9.999  29.260 1.00 28.27  ? 354 GLU   C CA   1 
ATOM   5677 C  C    . GLU   C 1 109 ? 0.046   -8.626  29.299 1.00 27.56  ? 354 GLU   C C    1 
ATOM   5678 O  O    . GLU   C 1 109 ? -0.425  -7.726  29.994 1.00 26.51  ? 354 GLU   C O    1 
ATOM   5679 C  CB   . GLU   C 1 109 ? -2.065  -9.914  28.786 1.00 26.40  ? 354 GLU   C CB   1 
ATOM   5680 C  CG   . GLU   C 1 109 ? -2.788  -11.266 28.819 1.00 28.03  ? 354 GLU   C CG   1 
ATOM   5681 C  CD   . GLU   C 1 109 ? -4.254  -11.196 28.365 1.00 27.09  ? 354 GLU   C CD   1 
ATOM   5682 O  OE1  . GLU   C 1 109 ? -5.018  -10.353 28.909 1.00 25.54  ? 354 GLU   C OE1  1 
ATOM   5683 O  OE2  . GLU   C 1 109 ? -4.646  -11.970 27.458 1.00 26.04  ? 354 GLU   C OE2  1 
ATOM   5684 H  H    . GLU   C 1 109 ? -0.832  -10.043 31.210 1.00 39.07  ? 354 GLU   C H    1 
ATOM   5685 H  HA   . GLU   C 1 109 ? -0.116  -10.552 28.627 1.00 33.95  ? 354 GLU   C HA   1 
ATOM   5686 H  HB2  . GLU   C 1 109 ? -2.548  -9.303  29.364 1.00 31.71  ? 354 GLU   C HB2  1 
ATOM   5687 H  HB3  . GLU   C 1 109 ? -2.081  -9.588  27.872 1.00 31.71  ? 354 GLU   C HB3  1 
ATOM   5688 H  HG2  . GLU   C 1 109 ? -2.325  -11.882 28.230 1.00 33.66  ? 354 GLU   C HG2  1 
ATOM   5689 H  HG3  . GLU   C 1 109 ? -2.775  -11.604 29.728 1.00 33.66  ? 354 GLU   C HG3  1 
ATOM   5690 N  N    . ASP   C 1 110 ? 1.127   -8.456  28.551 1.00 27.10  ? 355 ASP   C N    1 
ATOM   5691 C  CA   . ASP   C 1 110 ? 1.956   -7.270  28.679 1.00 28.63  ? 355 ASP   C CA   1 
ATOM   5692 C  C    . ASP   C 1 110 ? 2.136   -6.498  27.379 1.00 25.79  ? 355 ASP   C C    1 
ATOM   5693 O  O    . ASP   C 1 110 ? 2.947   -5.558  27.347 1.00 24.60  ? 355 ASP   C O    1 
ATOM   5694 C  CB   . ASP   C 1 110 ? 3.325   -7.669  29.240 1.00 32.76  ? 355 ASP   C CB   1 
ATOM   5695 C  CG   . ASP   C 1 110 ? 3.232   -8.255  30.648 1.00 35.75  ? 355 ASP   C CG   1 
ATOM   5696 O  OD1  . ASP   C 1 110 ? 2.206   -7.998  31.336 1.00 31.91  ? 355 ASP   C OD1  1 
ATOM   5697 O  OD2  . ASP   C 1 110 ? 4.179   -8.966  31.053 1.00 39.83  ? 355 ASP   C OD2  1 
ATOM   5698 H  H    . ASP   C 1 110 ? 1.401   -9.018  27.961 1.00 32.55  ? 355 ASP   C H    1 
ATOM   5699 H  HA   . ASP   C 1 110 ? 1.521   -6.662  29.298 1.00 34.39  ? 355 ASP   C HA   1 
ATOM   5700 H  HB2  . ASP   C 1 110 ? 3.722   -8.339  28.661 1.00 39.34  ? 355 ASP   C HB2  1 
ATOM   5701 H  HB3  . ASP   C 1 110 ? 3.894   -6.884  29.278 1.00 39.34  ? 355 ASP   C HB3  1 
ATOM   5702 N  N    . CYS   C 1 111 ? 1.389   -6.837  26.325 1.00 24.28  ? 356 CYS   C N    1 
ATOM   5703 C  CA   . CYS   C 1 111 ? 1.529   -6.217  25.009 1.00 21.95  ? 356 CYS   C CA   1 
ATOM   5704 C  C    . CYS   C 1 111 ? 0.155   -5.817  24.482 1.00 20.32  ? 356 CYS   C C    1 
ATOM   5705 O  O    . CYS   C 1 111 ? -0.816  -6.563  24.644 1.00 20.91  ? 356 CYS   C O    1 
ATOM   5706 C  CB   . CYS   C 1 111 ? 2.238   -7.182  24.046 1.00 24.35  ? 356 CYS   C CB   1 
ATOM   5707 S  SG   . CYS   C 1 111 ? 4.024   -7.442  24.440 1.00 32.60  ? 356 CYS   C SG   1 
ATOM   5708 H  H    . CYS   C 1 111 ? 0.778   -7.441  26.352 1.00 29.17  ? 356 CYS   C H    1 
ATOM   5709 H  HA   . CYS   C 1 111 ? 2.054   -5.403  25.066 1.00 26.37  ? 356 CYS   C HA   1 
ATOM   5710 H  HB2  . CYS   C 1 111 ? 1.797   -8.044  24.086 1.00 29.25  ? 356 CYS   C HB2  1 
ATOM   5711 H  HB3  . CYS   C 1 111 ? 2.182   -6.822  23.147 1.00 29.25  ? 356 CYS   C HB3  1 
ATOM   5712 N  N    . ALA   C 1 112 ? 0.068   -4.639  23.853 1.00 20.50  ? 357 ALA   C N    1 
ATOM   5713 C  CA   . ALA   C 1 112 ? -1.214  -4.110  23.419 1.00 20.11  ? 357 ALA   C CA   1 
ATOM   5714 C  C    . ALA   C 1 112 ? -1.485  -4.374  21.940 1.00 18.61  ? 357 ALA   C C    1 
ATOM   5715 O  O    . ALA   C 1 112 ? -0.582  -4.332  21.100 1.00 17.61  ? 357 ALA   C O    1 
ATOM   5716 C  CB   . ALA   C 1 112 ? -1.314  -2.600  23.665 1.00 20.84  ? 357 ALA   C CB   1 
ATOM   5717 H  H    . ALA   C 1 112 ? 0.741   -4.136  23.671 1.00 24.63  ? 357 ALA   C H    1 
ATOM   5718 H  HA   . ALA   C 1 112 ? -1.896  -4.568  23.935 1.00 24.16  ? 357 ALA   C HA   1 
ATOM   5719 H  HB1  . ALA   C 1 112 ? -2.203  -2.299  23.420 1.00 25.04  ? 357 ALA   C HB1  1 
ATOM   5720 H  HB2  . ALA   C 1 112 ? -1.150  -2.422  24.604 1.00 25.04  ? 357 ALA   C HB2  1 
ATOM   5721 H  HB3  . ALA   C 1 112 ? -0.650  -2.148  23.122 1.00 25.04  ? 357 ALA   C HB3  1 
ATOM   5722 N  N    . GLU   C 1 113 ? -2.771  -4.602  21.629 1.00 18.99  ? 358 GLU   C N    1 
ATOM   5723 C  CA   . GLU   C 1 113 ? -3.227  -4.891  20.272 1.00 19.67  ? 358 GLU   C CA   1 
ATOM   5724 C  C    . GLU   C 1 113 ? -4.517  -4.137  19.964 1.00 18.45  ? 358 GLU   C C    1 
ATOM   5725 O  O    . GLU   C 1 113 ? -5.308  -3.833  20.869 1.00 19.35  ? 358 GLU   C O    1 
ATOM   5726 C  CB   . GLU   C 1 113 ? -3.494  -6.405  20.074 1.00 20.30  ? 358 GLU   C CB   1 
ATOM   5727 C  CG   . GLU   C 1 113 ? -4.498  -6.950  21.084 1.00 22.77  ? 358 GLU   C CG   1 
ATOM   5728 C  CD   . GLU   C 1 113 ? -5.238  -8.189  20.630 1.00 22.90  ? 358 GLU   C CD   1 
ATOM   5729 O  OE1  . GLU   C 1 113 ? -5.955  -8.803  21.468 1.00 22.23  ? 358 GLU   C OE1  1 
ATOM   5730 O  OE2  . GLU   C 1 113 ? -5.144  -8.540  19.427 1.00 22.22  ? 358 GLU   C OE2  1 
ATOM   5731 H  H    . GLU   C 1 113 ? -3.408  -4.593  22.206 1.00 22.82  ? 358 GLU   C H    1 
ATOM   5732 H  HA   . GLU   C 1 113 ? -2.543  -4.590  19.654 1.00 23.64  ? 358 GLU   C HA   1 
ATOM   5733 H  HB2  . GLU   C 1 113 ? -3.850  -6.552  19.184 1.00 24.39  ? 358 GLU   C HB2  1 
ATOM   5734 H  HB3  . GLU   C 1 113 ? -2.661  -6.891  20.183 1.00 24.39  ? 358 GLU   C HB3  1 
ATOM   5735 H  HG2  . GLU   C 1 113 ? -4.025  -7.175  21.900 1.00 27.35  ? 358 GLU   C HG2  1 
ATOM   5736 H  HG3  . GLU   C 1 113 ? -5.160  -6.263  21.263 1.00 27.35  ? 358 GLU   C HG3  1 
ATOM   5737 N  N    . PHE   C 1 114 ? -4.729  -3.854  18.676 1.00 15.67  ? 359 PHE   C N    1 
ATOM   5738 C  CA   . PHE   C 1 114 ? -6.038  -3.451  18.200 1.00 15.65  ? 359 PHE   C CA   1 
ATOM   5739 C  C    . PHE   C 1 114 ? -6.934  -4.684  18.152 1.00 16.53  ? 359 PHE   C C    1 
ATOM   5740 O  O    . PHE   C 1 114 ? -6.567  -5.699  17.566 1.00 16.92  ? 359 PHE   C O    1 
ATOM   5741 C  CB   . PHE   C 1 114 ? -5.936  -2.807  16.814 1.00 14.85  ? 359 PHE   C CB   1 
ATOM   5742 C  CG   . PHE   C 1 114 ? -5.035  -1.600  16.760 1.00 14.68  ? 359 PHE   C CG   1 
ATOM   5743 C  CD1  . PHE   C 1 114 ? -5.497  -0.348  17.120 1.00 14.91  ? 359 PHE   C CD1  1 
ATOM   5744 C  CD2  . PHE   C 1 114 ? -3.725  -1.721  16.323 1.00 14.34  ? 359 PHE   C CD2  1 
ATOM   5745 C  CE1  . PHE   C 1 114 ? -4.671  0.771   17.050 1.00 15.11  ? 359 PHE   C CE1  1 
ATOM   5746 C  CE2  . PHE   C 1 114 ? -2.885  -0.622  16.243 1.00 15.13  ? 359 PHE   C CE2  1 
ATOM   5747 C  CZ   . PHE   C 1 114 ? -3.349  0.623   16.626 1.00 15.16  ? 359 PHE   C CZ   1 
ATOM   5748 H  H    . PHE   C 1 114 ? -4.126  -3.890  18.063 1.00 18.83  ? 359 PHE   C H    1 
ATOM   5749 H  HA   . PHE   C 1 114 ? -6.426  -2.793  18.798 1.00 18.80  ? 359 PHE   C HA   1 
ATOM   5750 H  HB2  . PHE   C 1 114 ? -5.586  -3.464  16.192 1.00 17.84  ? 359 PHE   C HB2  1 
ATOM   5751 H  HB3  . PHE   C 1 114 ? -6.822  -2.527  16.536 1.00 17.84  ? 359 PHE   C HB3  1 
ATOM   5752 H  HD1  . PHE   C 1 114 ? -6.374  -0.251  17.415 1.00 17.93  ? 359 PHE   C HD1  1 
ATOM   5753 H  HD2  . PHE   C 1 114 ? -3.402  -2.559  16.079 1.00 17.23  ? 359 PHE   C HD2  1 
ATOM   5754 H  HE1  . PHE   C 1 114 ? -4.997  1.610   17.284 1.00 18.16  ? 359 PHE   C HE1  1 
ATOM   5755 H  HE2  . PHE   C 1 114 ? -2.014  -0.721  15.933 1.00 18.19  ? 359 PHE   C HE2  1 
ATOM   5756 H  HZ   . PHE   C 1 114 ? -2.782  1.360   16.601 1.00 18.21  ? 359 PHE   C HZ   1 
ATOM   5757 N  N    . SER   C 1 115 ? -8.102  -4.604  18.780 1.00 16.97  ? 360 SER   C N    1 
ATOM   5758 C  CA   . SER   C 1 115 ? -9.009  -5.737  18.869 1.00 17.85  ? 360 SER   C CA   1 
ATOM   5759 C  C    . SER   C 1 115 ? -10.447 -5.245  18.779 1.00 18.17  ? 360 SER   C C    1 
ATOM   5760 O  O    . SER   C 1 115 ? -10.965 -4.648  19.724 1.00 19.19  ? 360 SER   C O    1 
ATOM   5761 C  CB   . SER   C 1 115 ? -8.759  -6.522  20.164 1.00 21.06  ? 360 SER   C CB   1 
ATOM   5762 O  OG   . SER   C 1 115 ? -9.801  -7.477  20.394 1.00 22.56  ? 360 SER   C OG   1 
ATOM   5763 H  H    . SER   C 1 115 ? -8.392  -3.893  19.167 1.00 20.39  ? 360 SER   C H    1 
ATOM   5764 H  HA   . SER   C 1 115 ? -8.867  -6.324  18.110 1.00 21.44  ? 360 SER   C HA   1 
ATOM   5765 H  HB2  . SER   C 1 115 ? -7.913  -6.991  20.091 1.00 25.30  ? 360 SER   C HB2  1 
ATOM   5766 H  HB3  . SER   C 1 115 ? -8.731  -5.901  20.909 1.00 25.30  ? 360 SER   C HB3  1 
ATOM   5767 H  HG   . SER   C 1 115 ? -9.608  -7.961  21.052 1.00 27.10  ? 360 SER   C HG   1 
ATOM   5768 N  N    . GLY   C 1 116 ? -11.095 -5.495  17.642 1.00 18.89  ? 361 GLY   C N    1 
ATOM   5769 C  CA   . GLY   C 1 116 ? -12.450 -5.002  17.425 1.00 20.60  ? 361 GLY   C CA   1 
ATOM   5770 C  C    . GLY   C 1 116 ? -12.495 -3.488  17.360 1.00 21.24  ? 361 GLY   C C    1 
ATOM   5771 O  O    . GLY   C 1 116 ? -11.847 -2.878  16.506 1.00 23.12  ? 361 GLY   C O    1 
ATOM   5772 H  H    . GLY   C 1 116 ? -10.772 -5.947  16.984 1.00 22.69  ? 361 GLY   C H    1 
ATOM   5773 H  HA2  . GLY   C 1 116 ? -12.794 -5.357  16.590 1.00 24.75  ? 361 GLY   C HA2  1 
ATOM   5774 H  HA3  . GLY   C 1 116 ? -13.021 -5.296  18.152 1.00 24.75  ? 361 GLY   C HA3  1 
ATOM   5775 N  N    . ASN   C 1 117 ? -13.229 -2.866  18.279 1.00 19.27  ? 362 ASN   C N    1 
ATOM   5776 C  CA   . ASN   C 1 117 ? -13.376 -1.415  18.298 1.00 21.23  ? 362 ASN   C CA   1 
ATOM   5777 C  C    . ASN   C 1 117 ? -12.372 -0.701  19.193 1.00 17.59  ? 362 ASN   C C    1 
ATOM   5778 O  O    . ASN   C 1 117 ? -12.396 0.538   19.242 1.00 16.62  ? 362 ASN   C O    1 
ATOM   5779 C  CB   . ASN   C 1 117 ? -14.783 -1.045  18.778 1.00 27.75  ? 362 ASN   C CB   1 
ATOM   5780 C  CG   . ASN   C 1 117 ? -15.849 -1.554  17.861 1.00 36.74  ? 362 ASN   C CG   1 
ATOM   5781 O  OD1  . ASN   C 1 117 ? -15.768 -1.368  16.648 1.00 41.20  ? 362 ASN   C OD1  1 
ATOM   5782 N  ND2  . ASN   C 1 117 ? -16.848 -2.209  18.430 1.00 39.53  ? 362 ASN   C ND2  1 
ATOM   5783 H  H    . ASN   C 1 117 ? -13.656 -3.268  18.908 1.00 23.16  ? 362 ASN   C H    1 
ATOM   5784 H  HA   . ASN   C 1 117 ? -13.248 -1.094  17.392 1.00 25.50  ? 362 ASN   C HA   1 
ATOM   5785 H  HB2  . ASN   C 1 117 ? -14.931 -1.431  19.656 1.00 33.32  ? 362 ASN   C HB2  1 
ATOM   5786 H  HB3  . ASN   C 1 117 ? -14.860 -0.079  18.823 1.00 33.32  ? 362 ASN   C HB3  1 
ATOM   5787 H  HD21 . ASN   C 1 117 ? -17.487 -2.523  17.948 1.00 47.46  ? 362 ASN   C HD21 1 
ATOM   5788 H  HD22 . ASN   C 1 117 ? -16.859 -2.321  19.283 1.00 47.46  ? 362 ASN   C HD22 1 
ATOM   5789 N  N    . GLY   C 1 118 ? -11.554 -1.439  19.947 1.00 15.53  ? 363 GLY   C N    1 
ATOM   5790 C  CA   . GLY   C 1 118 ? -10.652 -0.821  20.903 1.00 13.58  ? 363 GLY   C CA   1 
ATOM   5791 C  C    . GLY   C 1 118 ? -9.352  -1.575  21.078 1.00 14.32  ? 363 GLY   C C    1 
ATOM   5792 O  O    . GLY   C 1 118 ? -8.934  -2.344  20.190 1.00 14.27  ? 363 GLY   C O    1 
ATOM   5793 H  H    . GLY   C 1 118 ? -11.507 -2.298  19.920 1.00 18.67  ? 363 GLY   C H    1 
ATOM   5794 H  HA2  . GLY   C 1 118 ? -10.442 0.078   20.605 1.00 16.15  ? 363 GLY   C HA2  1 
ATOM   5795 H  HA3  . GLY   C 1 118 ? -11.091 -0.772  21.767 1.00 16.15  ? 363 GLY   C HA3  1 
ATOM   5796 N  N    . TRP   C 1 119 ? -8.723  -1.395  22.230 1.00 14.70  ? 364 TRP   C N    1 
ATOM   5797 C  CA   . TRP   C 1 119 ? -7.448  -2.024  22.526 1.00 15.68  ? 364 TRP   C CA   1 
ATOM   5798 C  C    . TRP   C 1 119 ? -7.625  -3.172  23.523 1.00 16.63  ? 364 TRP   C C    1 
ATOM   5799 O  O    . TRP   C 1 119 ? -8.493  -3.113  24.397 1.00 16.84  ? 364 TRP   C O    1 
ATOM   5800 C  CB   . TRP   C 1 119 ? -6.471  -1.031  23.161 1.00 16.46  ? 364 TRP   C CB   1 
ATOM   5801 C  CG   . TRP   C 1 119 ? -6.098  0.179   22.354 1.00 16.71  ? 364 TRP   C CG   1 
ATOM   5802 C  CD1  . TRP   C 1 119 ? -6.454  0.458   21.069 1.00 18.16  ? 364 TRP   C CD1  1 
ATOM   5803 C  CD2  . TRP   C 1 119 ? -5.285  1.269   22.805 1.00 17.46  ? 364 TRP   C CD2  1 
ATOM   5804 N  NE1  . TRP   C 1 119 ? -5.902  1.676   20.694 1.00 18.23  ? 364 TRP   C NE1  1 
ATOM   5805 C  CE2  . TRP   C 1 119 ? -5.165  2.172   21.742 1.00 17.79  ? 364 TRP   C CE2  1 
ATOM   5806 C  CE3  . TRP   C 1 119 ? -4.636  1.558   24.018 1.00 21.30  ? 364 TRP   C CE3  1 
ATOM   5807 C  CZ2  . TRP   C 1 119 ? -4.447  3.367   21.853 1.00 18.13  ? 364 TRP   C CZ2  1 
ATOM   5808 C  CZ3  . TRP   C 1 119 ? -3.920  2.727   24.125 1.00 22.41  ? 364 TRP   C CZ3  1 
ATOM   5809 C  CH2  . TRP   C 1 119 ? -3.830  3.628   23.042 1.00 20.20  ? 364 TRP   C CH2  1 
ATOM   5810 H  H    . TRP   C 1 119 ? -9.024  -0.903  22.868 1.00 17.67  ? 364 TRP   C H    1 
ATOM   5811 H  HA   . TRP   C 1 119 ? -7.086  -2.365  21.693 1.00 18.85  ? 364 TRP   C HA   1 
ATOM   5812 H  HB2  . TRP   C 1 119 ? -6.868  -0.708  23.985 1.00 19.78  ? 364 TRP   C HB2  1 
ATOM   5813 H  HB3  . TRP   C 1 119 ? -5.647  -1.505  23.353 1.00 19.78  ? 364 TRP   C HB3  1 
ATOM   5814 H  HD1  . TRP   C 1 119 ? -6.984  -0.083  20.529 1.00 21.82  ? 364 TRP   C HD1  1 
ATOM   5815 H  HE1  . TRP   C 1 119 ? -6.004  2.057   19.930 1.00 21.90  ? 364 TRP   C HE1  1 
ATOM   5816 H  HE3  . TRP   C 1 119 ? -4.690  0.968   24.735 1.00 25.59  ? 364 TRP   C HE3  1 
ATOM   5817 H  HZ2  . TRP   C 1 119 ? -4.392  3.962   21.141 1.00 21.78  ? 364 TRP   C HZ2  1 
ATOM   5818 H  HZ3  . TRP   C 1 119 ? -3.489  2.927   24.924 1.00 26.92  ? 364 TRP   C HZ3  1 
ATOM   5819 H  HH2  . TRP   C 1 119 ? -3.341  4.413   23.141 1.00 24.26  ? 364 TRP   C HH2  1 
ATOM   5820 N  N    . ASN   C 1 120 ? -6.739  -4.180  23.421 1.00 16.45  ? 365 ASN   C N    1 
ATOM   5821 C  CA   . ASN   C 1 120 ? -6.669  -5.280  24.389 1.00 17.11  ? 365 ASN   C CA   1 
ATOM   5822 C  C    . ASN   C 1 120 ? -5.211  -5.540  24.745 1.00 19.39  ? 365 ASN   C C    1 
ATOM   5823 O  O    . ASN   C 1 120 ? -4.317  -5.372  23.906 1.00 19.63  ? 365 ASN   C O    1 
ATOM   5824 C  CB   . ASN   C 1 120 ? -7.258  -6.582  23.833 1.00 16.98  ? 365 ASN   C CB   1 
ATOM   5825 C  CG   . ASN   C 1 120 ? -7.081  -7.767  24.763 1.00 17.82  ? 365 ASN   C CG   1 
ATOM   5826 O  OD1  . ASN   C 1 120 ? -7.422  -7.701  25.940 1.00 18.37  ? 365 ASN   C OD1  1 
ATOM   5827 N  ND2  . ASN   C 1 120 ? -6.554  -8.867  24.243 1.00 17.97  ? 365 ASN   C ND2  1 
ATOM   5828 H  H    . ASN   C 1 120 ? -6.162  -4.246  22.787 1.00 19.77  ? 365 ASN   C H    1 
ATOM   5829 H  HA   . ASN   C 1 120 ? -7.164  -5.022  25.183 1.00 20.40  ? 365 ASN   C HA   1 
ATOM   5830 H  HB2  . ASN   C 1 120 ? -8.208  -6.459  23.685 1.00 20.24  ? 365 ASN   C HB2  1 
ATOM   5831 H  HB3  . ASN   C 1 120 ? -6.816  -6.793  22.996 1.00 20.24  ? 365 ASN   C HB3  1 
ATOM   5832 H  HD21 . ASN   C 1 120 ? -6.436  -9.562  24.735 1.00 21.42  ? 365 ASN   C HD21 1 
ATOM   5833 H  HD22 . ASN   C 1 120 ? -6.329  -8.885  23.413 1.00 21.42  ? 365 ASN   C HD22 1 
ATOM   5834 N  N    . ASP   C 1 121 ? -4.973  -5.977  25.984 1.00 20.80  ? 366 ASP   C N    1 
ATOM   5835 C  CA   . ASP   C 1 121 ? -3.673  -6.526  26.343 1.00 21.82  ? 366 ASP   C CA   1 
ATOM   5836 C  C    . ASP   C 1 121 ? -3.709  -8.041  26.136 1.00 21.23  ? 366 ASP   C C    1 
ATOM   5837 O  O    . ASP   C 1 121 ? -4.672  -8.709  26.549 1.00 20.03  ? 366 ASP   C O    1 
ATOM   5838 C  CB   . ASP   C 1 121 ? -3.270  -6.177  27.773 1.00 23.35  ? 366 ASP   C CB   1 
ATOM   5839 C  CG   . ASP   C 1 121 ? -4.256  -6.628  28.825 1.00 21.98  ? 366 ASP   C CG   1 
ATOM   5840 O  OD1  . ASP   C 1 121 ? -5.468  -6.788  28.559 1.00 20.20  ? 366 ASP   C OD1  1 
ATOM   5841 O  OD2  . ASP   C 1 121 ? -3.817  -6.765  29.990 1.00 21.59  ? 366 ASP   C OD2  1 
ATOM   5842 H  H    . ASP   C 1 121 ? -5.547  -5.965  26.624 1.00 24.99  ? 366 ASP   C H    1 
ATOM   5843 H  HA   . ASP   C 1 121 ? -2.991  -6.141  25.771 1.00 26.21  ? 366 ASP   C HA   1 
ATOM   5844 H  HB2  . ASP   C 1 121 ? -2.419  -6.600  27.968 1.00 28.05  ? 366 ASP   C HB2  1 
ATOM   5845 H  HB3  . ASP   C 1 121 ? -3.185  -5.213  27.844 1.00 28.05  ? 366 ASP   C HB3  1 
ATOM   5846 N  N    . ASP   C 1 122 ? -2.679  -8.569  25.468 1.00 22.23  ? 367 ASP   C N    1 
ATOM   5847 C  CA   . ASP   C 1 122 ? -2.585  -9.998  25.183 1.00 22.91  ? 367 ASP   C CA   1 
ATOM   5848 C  C    . ASP   C 1 122 ? -1.155  -10.455 25.454 1.00 24.46  ? 367 ASP   C C    1 
ATOM   5849 O  O    . ASP   C 1 122 ? -0.282  -9.651  25.812 1.00 24.72  ? 367 ASP   C O    1 
ATOM   5850 C  CB   . ASP   C 1 122 ? -3.016  -10.304 23.742 1.00 21.91  ? 367 ASP   C CB   1 
ATOM   5851 C  CG   . ASP   C 1 122 ? -3.717  -11.657 23.596 1.00 24.14  ? 367 ASP   C CG   1 
ATOM   5852 O  OD1  . ASP   C 1 122 ? -3.489  -12.586 24.411 1.00 26.13  ? 367 ASP   C OD1  1 
ATOM   5853 O  OD2  . ASP   C 1 122 ? -4.518  -11.810 22.636 1.00 24.25  ? 367 ASP   C OD2  1 
ATOM   5854 H  H    . ASP   C 1 122 ? -2.016  -8.110  25.168 1.00 26.70  ? 367 ASP   C H    1 
ATOM   5855 H  HA   . ASP   C 1 122 ? -3.175  -10.482 25.782 1.00 27.52  ? 367 ASP   C HA   1 
ATOM   5856 H  HB2  . ASP   C 1 122 ? -3.632  -9.616  23.445 1.00 26.32  ? 367 ASP   C HB2  1 
ATOM   5857 H  HB3  . ASP   C 1 122 ? -2.230  -10.313 23.174 1.00 26.32  ? 367 ASP   C HB3  1 
ATOM   5858 N  N    . LYS   C 1 123 ? -0.927  -11.771 25.278 1.00 25.46  ? 368 LYS   C N    1 
ATOM   5859 C  CA   . LYS   C 1 123 ? 0.370   -12.386 25.551 1.00 28.61  ? 368 LYS   C CA   1 
ATOM   5860 C  C    . LYS   C 1 123 ? 1.381   -12.065 24.459 1.00 25.48  ? 368 LYS   C C    1 
ATOM   5861 O  O    . LYS   C 1 123 ? 1.108   -12.261 23.257 1.00 23.09  ? 368 LYS   C O    1 
ATOM   5862 C  CB   . LYS   C 1 123 ? 0.229   -13.903 25.666 1.00 34.37  ? 368 LYS   C CB   1 
ATOM   5863 C  CG   . LYS   C 1 123 ? -0.503  -14.382 26.909 1.00 42.47  ? 368 LYS   C CG   1 
ATOM   5864 C  CD   . LYS   C 1 123 ? -1.997  -14.529 26.652 1.00 50.09  ? 368 LYS   C CD   1 
ATOM   5865 C  CE   . LYS   C 1 123 ? -2.755  -14.889 27.926 1.00 56.51  ? 368 LYS   C CE   1 
ATOM   5866 N  NZ   . LYS   C 1 123 ? -4.227  -14.661 27.768 1.00 56.66  ? 368 LYS   C NZ   1 
ATOM   5867 H  H    . LYS   C 1 123 ? -1.518  -12.329 24.998 1.00 30.58  ? 368 LYS   C H    1 
ATOM   5868 H  HA   . LYS   C 1 123 ? 0.701   -12.025 26.388 1.00 34.36  ? 368 LYS   C HA   1 
ATOM   5869 H  HB2  . LYS   C 1 123 ? -0.264  -14.226 24.895 1.00 41.27  ? 368 LYS   C HB2  1 
ATOM   5870 H  HB3  . LYS   C 1 123 ? 1.116   -14.295 25.681 1.00 41.27  ? 368 LYS   C HB3  1 
ATOM   5871 H  HG2  . LYS   C 1 123 ? -0.153  -15.246 27.175 1.00 50.99  ? 368 LYS   C HG2  1 
ATOM   5872 H  HG3  . LYS   C 1 123 ? -0.378  -13.739 27.624 1.00 50.99  ? 368 LYS   C HG3  1 
ATOM   5873 H  HD2  . LYS   C 1 123 ? -2.349  -13.690 26.316 1.00 60.14  ? 368 LYS   C HD2  1 
ATOM   5874 H  HD3  . LYS   C 1 123 ? -2.143  -15.234 26.002 1.00 60.14  ? 368 LYS   C HD3  1 
ATOM   5875 H  HE2  . LYS   C 1 123 ? -2.611  -15.825 28.132 1.00 67.85  ? 368 LYS   C HE2  1 
ATOM   5876 H  HE3  . LYS   C 1 123 ? -2.437  -14.335 28.656 1.00 67.85  ? 368 LYS   C HE3  1 
ATOM   5877 H  HZ1  . LYS   C 1 123 ? -4.542  -15.157 27.099 1.00 68.03  ? 368 LYS   C HZ1  1 
ATOM   5878 H  HZ2  . LYS   C 1 123 ? -4.652  -14.884 28.517 1.00 68.03  ? 368 LYS   C HZ2  1 
ATOM   5879 H  HZ3  . LYS   C 1 123 ? -4.385  -13.803 27.590 1.00 68.03  ? 368 LYS   C HZ3  1 
ATOM   5880 N  N    . CYS   C 1 124 ? 2.566   -11.602 24.879 1.00 28.10  ? 369 CYS   C N    1 
ATOM   5881 C  CA   . CYS   C 1 124 ? 3.545   -11.103 23.928 1.00 31.06  ? 369 CYS   C CA   1 
ATOM   5882 C  C    . CYS   C 1 124 ? 4.064   -12.189 23.007 1.00 28.62  ? 369 CYS   C C    1 
ATOM   5883 O  O    . CYS   C 1 124 ? 4.499   -11.878 21.901 1.00 27.69  ? 369 CYS   C O    1 
ATOM   5884 C  CB   . CYS   C 1 124 ? 4.694   -10.444 24.698 1.00 40.64  ? 369 CYS   C CB   1 
ATOM   5885 S  SG   . CYS   C 1 124 ? 4.110   -9.033  25.718 1.00 43.67  ? 369 CYS   C SG   1 
ATOM   5886 H  H    . CYS   C 1 124 ? 2.819   -11.569 25.701 1.00 33.75  ? 369 CYS   C H    1 
ATOM   5887 H  HA   . CYS   C 1 124 ? 3.136   -10.431 23.361 1.00 37.30  ? 369 CYS   C HA   1 
ATOM   5888 H  HB2  . CYS   C 1 124 ? 5.100   -11.099 25.287 1.00 48.80  ? 369 CYS   C HB2  1 
ATOM   5889 H  HB3  . CYS   C 1 124 ? 5.352   -10.112 24.067 1.00 48.80  ? 369 CYS   C HB3  1 
ATOM   5890 N  N    . ASN   C 1 125 ? 3.982   -13.446 23.423 1.00 28.82  ? 370 ASN   C N    1 
ATOM   5891 C  CA   . ASN   C 1 125 ? 4.414   -14.582 22.621 1.00 36.20  ? 370 ASN   C CA   1 
ATOM   5892 C  C    . ASN   C 1 125 ? 3.409   -15.014 21.565 1.00 32.03  ? 370 ASN   C C    1 
ATOM   5893 O  O    . ASN   C 1 125 ? 3.716   -15.915 20.780 1.00 30.22  ? 370 ASN   C O    1 
ATOM   5894 C  CB   . ASN   C 1 125 ? 4.705   -15.768 23.559 1.00 46.44  ? 370 ASN   C CB   1 
ATOM   5895 C  CG   . ASN   C 1 125 ? 3.510   -16.108 24.436 1.00 55.28  ? 370 ASN   C CG   1 
ATOM   5896 O  OD1  . ASN   C 1 125 ? 3.378   -15.585 25.547 1.00 60.28  ? 370 ASN   C OD1  1 
ATOM   5897 N  ND2  . ASN   C 1 125 ? 2.626   -16.946 23.935 1.00 57.42  ? 370 ASN   C ND2  1 
ATOM   5898 H  H    . ASN   C 1 125 ? 3.671   -13.676 24.191 1.00 34.61  ? 370 ASN   C H    1 
ATOM   5899 H  HA   . ASN   C 1 125 ? 5.225   -14.337 22.150 1.00 43.46  ? 370 ASN   C HA   1 
ATOM   5900 H  HB2  . ASN   C 1 125 ? 4.923   -16.549 23.027 1.00 55.75  ? 370 ASN   C HB2  1 
ATOM   5901 H  HB3  . ASN   C 1 125 ? 5.450   -15.542 24.138 1.00 55.75  ? 370 ASN   C HB3  1 
ATOM   5902 H  HD21 . ASN   C 1 125 ? 2.740   -17.271 23.148 1.00 68.93  ? 370 ASN   C HD21 1 
ATOM   5903 H  HD22 . ASN   C 1 125 ? 1.934   -17.167 24.396 1.00 68.93  ? 370 ASN   C HD22 1 
ATOM   5904 N  N    . LEU   C 1 126 ? 2.226   -14.407 21.525 1.00 28.08  ? 371 LEU   C N    1 
ATOM   5905 C  CA   . LEU   C 1 126 ? 1.224   -14.768 20.536 1.00 28.18  ? 371 LEU   C CA   1 
ATOM   5906 C  C    . LEU   C 1 126 ? 1.482   -14.075 19.201 1.00 25.68  ? 371 LEU   C C    1 
ATOM   5907 O  O    . LEU   C 1 126 ? 1.863   -12.889 19.150 1.00 24.38  ? 371 LEU   C O    1 
ATOM   5908 C  CB   . LEU   C 1 126 ? -0.173  -14.407 21.039 1.00 33.17  ? 371 LEU   C CB   1 
ATOM   5909 C  CG   . LEU   C 1 126 ? -1.312  -14.938 20.167 1.00 42.80  ? 371 LEU   C CG   1 
ATOM   5910 C  CD1  . LEU   C 1 126 ? -1.285  -16.461 20.047 1.00 47.64  ? 371 LEU   C CD1  1 
ATOM   5911 C  CD2  . LEU   C 1 126 ? -2.654  -14.466 20.724 1.00 46.78  ? 371 LEU   C CD2  1 
ATOM   5912 H  H    . LEU   C 1 126 ? 1.981   -13.782 22.063 1.00 33.72  ? 371 LEU   C H    1 
ATOM   5913 H  HA   . LEU   C 1 126 ? 1.266   -15.726 20.388 1.00 33.84  ? 371 LEU   C HA   1 
ATOM   5914 H  HB2  . LEU   C 1 126 ? -0.286  -14.777 21.929 1.00 39.84  ? 371 LEU   C HB2  1 
ATOM   5915 H  HB3  . LEU   C 1 126 ? -0.251  -13.441 21.069 1.00 39.84  ? 371 LEU   C HB3  1 
ATOM   5916 H  HG   . LEU   C 1 126 ? -1.200  -14.586 19.270 1.00 51.38  ? 371 LEU   C HG   1 
ATOM   5917 H  HD11 . LEU   C 1 126 ? -2.092  -16.756 19.597 1.00 57.19  ? 371 LEU   C HD11 1 
ATOM   5918 H  HD12 . LEU   C 1 126 ? -0.505  -16.723 19.533 1.00 57.19  ? 371 LEU   C HD12 1 
ATOM   5919 H  HD13 . LEU   C 1 126 ? -1.241  -16.847 20.935 1.00 57.19  ? 371 LEU   C HD13 1 
ATOM   5920 H  HD21 . LEU   C 1 126 ? -3.359  -14.727 20.111 1.00 56.16  ? 371 LEU   C HD21 1 
ATOM   5921 H  HD22 . LEU   C 1 126 ? -2.799  -14.879 21.590 1.00 56.16  ? 371 LEU   C HD22 1 
ATOM   5922 H  HD23 . LEU   C 1 126 ? -2.635  -13.501 20.816 1.00 56.16  ? 371 LEU   C HD23 1 
ATOM   5923 N  N    . ALA   C 1 127 ? 1.260   -14.818 18.112 1.00 25.71  ? 372 ALA   C N    1 
ATOM   5924 C  CA   . ALA   C 1 127 ? 1.448   -14.281 16.775 1.00 27.60  ? 372 ALA   C CA   1 
ATOM   5925 C  C    . ALA   C 1 127 ? 0.229   -13.470 16.365 1.00 23.41  ? 372 ALA   C C    1 
ATOM   5926 O  O    . ALA   C 1 127 ? -0.914  -13.943 16.480 1.00 21.79  ? 372 ALA   C O    1 
ATOM   5927 C  CB   . ALA   C 1 127 ? 1.692   -15.420 15.783 1.00 31.84  ? 372 ALA   C CB   1 
ATOM   5928 H  H    . ALA   C 1 127 ? 1.000   -15.638 18.128 1.00 30.88  ? 372 ALA   C H    1 
ATOM   5929 H  HA   . ALA   C 1 127 ? 2.220   -13.694 16.763 1.00 33.14  ? 372 ALA   C HA   1 
ATOM   5930 H  HB1  . ALA   C 1 127 ? 1.816   -15.045 14.896 1.00 38.23  ? 372 ALA   C HB1  1 
ATOM   5931 H  HB2  . ALA   C 1 127 ? 2.487   -15.907 16.050 1.00 38.23  ? 372 ALA   C HB2  1 
ATOM   5932 H  HB3  . ALA   C 1 127 ? 0.924   -16.012 15.787 1.00 38.23  ? 372 ALA   C HB3  1 
ATOM   5933 N  N    . LYS   C 1 128 ? 0.468   -12.228 15.904 1.00 22.38  ? 373 LYS   C N    1 
ATOM   5934 C  CA   . LYS   C 1 128 ? -0.588  -11.365 15.414 1.00 20.83  ? 373 LYS   C CA   1 
ATOM   5935 C  C    . LYS   C 1 128 ? -0.049  -10.568 14.228 1.00 20.54  ? 373 LYS   C C    1 
ATOM   5936 O  O    . LYS   C 1 128 ? 1.157   -10.535 13.978 1.00 21.50  ? 373 LYS   C O    1 
ATOM   5937 C  CB   . LYS   C 1 128 ? -1.090  -10.395 16.511 1.00 21.58  ? 373 LYS   C CB   1 
ATOM   5938 C  CG   . LYS   C 1 128 ? -1.682  -11.056 17.758 1.00 21.32  ? 373 LYS   C CG   1 
ATOM   5939 C  CD   . LYS   C 1 128 ? -2.067  -9.975  18.785 1.00 21.21  ? 373 LYS   C CD   1 
ATOM   5940 C  CE   . LYS   C 1 128 ? -2.569  -10.542 20.106 1.00 26.21  ? 373 LYS   C CE   1 
ATOM   5941 N  NZ   . LYS   C 1 128 ? -3.940  -11.142 19.993 1.00 28.92  ? 373 LYS   C NZ   1 
ATOM   5942 H  H    . LYS   C 1 128 ? 1.250   -11.871 15.871 1.00 26.88  ? 373 LYS   C H    1 
ATOM   5943 H  HA   . LYS   C 1 128 ? -1.335  -11.911 15.122 1.00 25.02  ? 373 LYS   C HA   1 
ATOM   5944 H  HB2  . LYS   C 1 128 ? -0.341  -9.851  16.801 1.00 25.93  ? 373 LYS   C HB2  1 
ATOM   5945 H  HB3  . LYS   C 1 128 ? -1.780  -9.833  16.127 1.00 25.93  ? 373 LYS   C HB3  1 
ATOM   5946 H  HG2  . LYS   C 1 128 ? -2.478  -11.556 17.518 1.00 25.61  ? 373 LYS   C HG2  1 
ATOM   5947 H  HG3  . LYS   C 1 128 ? -1.027  -11.648 18.159 1.00 25.61  ? 373 LYS   C HG3  1 
ATOM   5948 H  HD2  . LYS   C 1 128 ? -1.287  -9.430  18.974 1.00 25.48  ? 373 LYS   C HD2  1 
ATOM   5949 H  HD3  . LYS   C 1 128 ? -2.773  -9.424  18.412 1.00 25.48  ? 373 LYS   C HD3  1 
ATOM   5950 H  HE2  . LYS   C 1 128 ? -1.961  -11.236 20.404 1.00 31.48  ? 373 LYS   C HE2  1 
ATOM   5951 H  HE3  . LYS   C 1 128 ? -2.606  -9.829  20.763 1.00 31.48  ? 373 LYS   C HE3  1 
ATOM   5952 H  HZ1  . LYS   C 1 128 ? -4.212  -11.431 20.790 1.00 34.73  ? 373 LYS   C HZ1  1 
ATOM   5953 H  HZ2  . LYS   C 1 128 ? -4.516  -10.532 19.695 1.00 34.73  ? 373 LYS   C HZ2  1 
ATOM   5954 H  HZ3  . LYS   C 1 128 ? -3.927  -11.828 19.427 1.00 34.73  ? 373 LYS   C HZ3  1 
ATOM   5955 N  N    . PHE   C 1 129 ? -0.948  -9.897  13.498 1.00 20.09  ? 374 PHE   C N    1 
ATOM   5956 C  CA   . PHE   C 1 129 ? -0.483  -8.902  12.536 1.00 19.02  ? 374 PHE   C CA   1 
ATOM   5957 C  C    . PHE   C 1 129 ? 0.126   -7.718  13.281 1.00 18.36  ? 374 PHE   C C    1 
ATOM   5958 O  O    . PHE   C 1 129 ? 0.049   -7.627  14.512 1.00 17.19  ? 374 PHE   C O    1 
ATOM   5959 C  CB   . PHE   C 1 129 ? -1.628  -8.460  11.645 1.00 19.12  ? 374 PHE   C CB   1 
ATOM   5960 C  CG   . PHE   C 1 129 ? -2.245  -9.598  10.858 1.00 20.53  ? 374 PHE   C CG   1 
ATOM   5961 C  CD1  . PHE   C 1 129 ? -3.285  -10.338 11.389 1.00 20.94  ? 374 PHE   C CD1  1 
ATOM   5962 C  CD2  . PHE   C 1 129 ? -1.764  -9.926  9.604  1.00 22.23  ? 374 PHE   C CD2  1 
ATOM   5963 C  CE1  . PHE   C 1 129 ? -3.863  -11.390 10.671 1.00 22.55  ? 374 PHE   C CE1  1 
ATOM   5964 C  CE2  . PHE   C 1 129 ? -2.343  -10.972 8.879  1.00 24.24  ? 374 PHE   C CE2  1 
ATOM   5965 C  CZ   . PHE   C 1 129 ? -3.391  -11.701 9.425  1.00 24.13  ? 374 PHE   C CZ   1 
ATOM   5966 H  H    . PHE   C 1 129 ? -1.801  -9.998  13.541 1.00 24.14  ? 374 PHE   C H    1 
ATOM   5967 H  HA   . PHE   C 1 129 ? 0.200   -9.283  11.962 1.00 22.85  ? 374 PHE   C HA   1 
ATOM   5968 H  HB2  . PHE   C 1 129 ? -2.322  -8.067  12.197 1.00 22.97  ? 374 PHE   C HB2  1 
ATOM   5969 H  HB3  . PHE   C 1 129 ? -1.297  -7.804  11.011 1.00 22.97  ? 374 PHE   C HB3  1 
ATOM   5970 H  HD1  . PHE   C 1 129 ? -3.606  -10.133 12.237 1.00 25.16  ? 374 PHE   C HD1  1 
ATOM   5971 H  HD2  . PHE   C 1 129 ? -1.053  -9.450  9.242  1.00 26.71  ? 374 PHE   C HD2  1 
ATOM   5972 H  HE1  . PHE   C 1 129 ? -4.565  -11.876 11.039 1.00 27.09  ? 374 PHE   C HE1  1 
ATOM   5973 H  HE2  . PHE   C 1 129 ? -2.026  -11.179 8.029  1.00 29.12  ? 374 PHE   C HE2  1 
ATOM   5974 H  HZ   . PHE   C 1 129 ? -3.771  -12.401 8.944  1.00 28.99  ? 374 PHE   C HZ   1 
ATOM   5975 N  N    . TRP   C 1 130 ? 0.797   -6.830  12.530 1.00 19.85  ? 375 TRP   C N    1 
ATOM   5976 C  CA   . TRP   C 1 130 ? 1.408   -5.638  13.111 1.00 20.19  ? 375 TRP   C CA   1 
ATOM   5977 C  C    . TRP   C 1 130 ? 1.367   -4.504  12.092 1.00 19.70  ? 375 TRP   C C    1 
ATOM   5978 O  O    . TRP   C 1 130 ? 1.189   -4.730  10.890 1.00 20.01  ? 375 TRP   C O    1 
ATOM   5979 C  CB   . TRP   C 1 130 ? 2.870   -5.909  13.562 1.00 19.87  ? 375 TRP   C CB   1 
ATOM   5980 C  CG   . TRP   C 1 130 ? 3.846   -6.097  12.442 1.00 20.72  ? 375 TRP   C CG   1 
ATOM   5981 C  CD1  . TRP   C 1 130 ? 4.597   -5.119  11.842 1.00 22.13  ? 375 TRP   C CD1  1 
ATOM   5982 C  CD2  . TRP   C 1 130 ? 4.166   -7.314  11.767 1.00 21.24  ? 375 TRP   C CD2  1 
ATOM   5983 N  NE1  . TRP   C 1 130 ? 5.346   -5.653  10.853 1.00 24.07  ? 375 TRP   C NE1  1 
ATOM   5984 C  CE2  . TRP   C 1 130 ? 5.115   -7.001  10.780 1.00 22.11  ? 375 TRP   C CE2  1 
ATOM   5985 C  CE3  . TRP   C 1 130 ? 3.737   -8.641  11.897 1.00 21.44  ? 375 TRP   C CE3  1 
ATOM   5986 C  CZ2  . TRP   C 1 130 ? 5.661   -7.971  9.936  1.00 20.90  ? 375 TRP   C CZ2  1 
ATOM   5987 C  CZ3  . TRP   C 1 130 ? 4.265   -9.595  11.052 1.00 24.28  ? 375 TRP   C CZ3  1 
ATOM   5988 C  CH2  . TRP   C 1 130 ? 5.220   -9.252  10.090 1.00 24.21  ? 375 TRP   C CH2  1 
ATOM   5989 H  H    . TRP   C 1 130 ? 0.909   -6.901  11.681 1.00 23.85  ? 375 TRP   C H    1 
ATOM   5990 H  HA   . TRP   C 1 130 ? 0.895   -5.362  13.887 1.00 24.26  ? 375 TRP   C HA   1 
ATOM   5991 H  HB2  . TRP   C 1 130 ? 3.174   -5.155  14.091 1.00 23.87  ? 375 TRP   C HB2  1 
ATOM   5992 H  HB3  . TRP   C 1 130 ? 2.882   -6.717  14.098 1.00 23.87  ? 375 TRP   C HB3  1 
ATOM   5993 H  HD1  . TRP   C 1 130 ? 4.591   -4.220  12.080 1.00 26.59  ? 375 TRP   C HD1  1 
ATOM   5994 H  HE1  . TRP   C 1 130 ? 5.885   -5.214  10.346 1.00 28.91  ? 375 TRP   C HE1  1 
ATOM   5995 H  HE3  . TRP   C 1 130 ? 3.107   -8.874  12.540 1.00 25.75  ? 375 TRP   C HE3  1 
ATOM   5996 H  HZ2  . TRP   C 1 130 ? 6.299   -7.752  9.295  1.00 25.11  ? 375 TRP   C HZ2  1 
ATOM   5997 H  HZ3  . TRP   C 1 130 ? 3.982   -10.478 11.123 1.00 29.17  ? 375 TRP   C HZ3  1 
ATOM   5998 H  HH2  . TRP   C 1 130 ? 5.564   -9.917  9.539  1.00 29.08  ? 375 TRP   C HH2  1 
ATOM   5999 N  N    . ILE   C 1 131 ? 1.501   -3.287  12.593 1.00 18.95  ? 376 ILE   C N    1 
ATOM   6000 C  CA   . ILE   C 1 131 ? 1.527   -2.061  11.789 1.00 20.26  ? 376 ILE   C CA   1 
ATOM   6001 C  C    . ILE   C 1 131 ? 2.824   -1.315  12.073 1.00 21.37  ? 376 ILE   C C    1 
ATOM   6002 O  O    . ILE   C 1 131 ? 3.182   -1.094  13.238 1.00 20.22  ? 376 ILE   C O    1 
ATOM   6003 C  CB   . ILE   C 1 131 ? 0.307   -1.169  12.077 1.00 19.11  ? 376 ILE   C CB   1 
ATOM   6004 C  CG1  . ILE   C 1 131 ? -0.971  -1.853  11.519 1.00 19.38  ? 376 ILE   C CG1  1 
ATOM   6005 C  CG2  . ILE   C 1 131 ? 0.446   0.224   11.450 1.00 17.86  ? 376 ILE   C CG2  1 
ATOM   6006 C  CD1  . ILE   C 1 131 ? -2.269  -1.222  11.992 1.00 21.08  ? 376 ILE   C CD1  1 
ATOM   6007 H  H    . ILE   C 1 131 ? 1.583   -3.134  13.436 1.00 22.77  ? 376 ILE   C H    1 
ATOM   6008 H  HA   . ILE   C 1 131 ? 1.519   -2.299  10.848 1.00 24.34  ? 376 ILE   C HA   1 
ATOM   6009 H  HB   . ILE   C 1 131 ? 0.248   -1.059  13.039 1.00 22.95  ? 376 ILE   C HB   1 
ATOM   6010 H  HG12 . ILE   C 1 131 ? -0.954  -1.800  10.551 1.00 23.29  ? 376 ILE   C HG12 1 
ATOM   6011 H  HG13 . ILE   C 1 131 ? -0.975  -2.781  11.800 1.00 23.29  ? 376 ILE   C HG13 1 
ATOM   6012 H  HG21 . ILE   C 1 131 ? -0.410  0.678   11.499 1.00 21.46  ? 376 ILE   C HG21 1 
ATOM   6013 H  HG22 . ILE   C 1 131 ? 1.116   0.725   11.940 1.00 21.46  ? 376 ILE   C HG22 1 
ATOM   6014 H  HG23 . ILE   C 1 131 ? 0.717   0.127   10.524 1.00 21.46  ? 376 ILE   C HG23 1 
ATOM   6015 H  HD11 . ILE   C 1 131 ? -3.014  -1.756  11.673 1.00 25.33  ? 376 ILE   C HD11 1 
ATOM   6016 H  HD12 . ILE   C 1 131 ? -2.272  -1.196  12.962 1.00 25.33  ? 376 ILE   C HD12 1 
ATOM   6017 H  HD13 . ILE   C 1 131 ? -2.331  -0.322  11.637 1.00 25.33  ? 376 ILE   C HD13 1 
ATOM   6018 N  N    . CYS   C 1 132 ? 3.539   -0.956  11.009 1.00 22.00  ? 377 CYS   C N    1 
ATOM   6019 C  CA   . CYS   C 1 132 ? 4.741   -0.135  11.122 1.00 22.15  ? 377 CYS   C CA   1 
ATOM   6020 C  C    . CYS   C 1 132 ? 4.442   1.301   10.702 1.00 20.74  ? 377 CYS   C C    1 
ATOM   6021 O  O    . CYS   C 1 132 ? 3.514   1.556   9.927  1.00 20.70  ? 377 CYS   C O    1 
ATOM   6022 C  CB   . CYS   C 1 132 ? 5.889   -0.683  10.250 1.00 24.33  ? 377 CYS   C CB   1 
ATOM   6023 S  SG   . CYS   C 1 132 ? 6.380   -2.376  10.549 1.00 25.93  ? 377 CYS   C SG   1 
ATOM   6024 H  H    . CYS   C 1 132 ? 3.344   -1.179  10.202 1.00 26.43  ? 377 CYS   C H    1 
ATOM   6025 H  HA   . CYS   C 1 132 ? 5.034   -0.143  12.047 1.00 26.61  ? 377 CYS   C HA   1 
ATOM   6026 H  HB2  . CYS   C 1 132 ? 5.614   -0.626  9.322  1.00 29.23  ? 377 CYS   C HB2  1 
ATOM   6027 H  HB3  . CYS   C 1 132 ? 6.671   -0.129  10.400 1.00 29.23  ? 377 CYS   C HB3  1 
ATOM   6028 N  N    . LYS   C 1 133 ? 5.230   2.232   11.228 1.00 17.64  ? 378 LYS   C N    1 
ATOM   6029 C  CA   . LYS   C 1 133 ? 5.077   3.657   10.962 1.00 16.49  ? 378 LYS   C CA   1 
ATOM   6030 C  C    . LYS   C 1 133 ? 6.431   4.304   10.715 1.00 16.43  ? 378 LYS   C C    1 
ATOM   6031 O  O    . LYS   C 1 133 ? 7.395   4.059   11.438 1.00 16.95  ? 378 LYS   C O    1 
ATOM   6032 C  CB   . LYS   C 1 133 ? 4.358   4.353   12.129 1.00 16.16  ? 378 LYS   C CB   1 
ATOM   6033 C  CG   . LYS   C 1 133 ? 4.212   5.862   12.044 1.00 17.79  ? 378 LYS   C CG   1 
ATOM   6034 C  CD   . LYS   C 1 133 ? 3.648   6.416   13.367 1.00 21.03  ? 378 LYS   C CD   1 
ATOM   6035 C  CE   . LYS   C 1 133 ? 3.660   7.935   13.403 1.00 25.68  ? 378 LYS   C CE   1 
ATOM   6036 N  NZ   . LYS   C 1 133 ? 3.095   8.475   14.686 1.00 27.21  ? 378 LYS   C NZ   1 
ATOM   6037 H  H    . LYS   C 1 133 ? 5.883   2.056   11.760 1.00 21.19  ? 378 LYS   C H    1 
ATOM   6038 H  HA   . LYS   C 1 133 ? 4.556   3.779   10.153 1.00 19.81  ? 378 LYS   C HA   1 
ATOM   6039 H  HB2  . LYS   C 1 133 ? 3.462   3.986   12.190 1.00 19.42  ? 378 LYS   C HB2  1 
ATOM   6040 H  HB3  . LYS   C 1 133 ? 4.851   4.162   12.942 1.00 19.42  ? 378 LYS   C HB3  1 
ATOM   6041 H  HG2  . LYS   C 1 133 ? 5.080   6.266   11.884 1.00 21.38  ? 378 LYS   C HG2  1 
ATOM   6042 H  HG3  . LYS   C 1 133 ? 3.602   6.092   11.326 1.00 21.38  ? 378 LYS   C HG3  1 
ATOM   6043 H  HD2  . LYS   C 1 133 ? 2.731   6.118   13.471 1.00 25.26  ? 378 LYS   C HD2  1 
ATOM   6044 H  HD3  . LYS   C 1 133 ? 4.188   6.091   14.104 1.00 25.26  ? 378 LYS   C HD3  1 
ATOM   6045 H  HE2  . LYS   C 1 133 ? 4.574   8.249   13.320 1.00 30.84  ? 378 LYS   C HE2  1 
ATOM   6046 H  HE3  . LYS   C 1 133 ? 3.125   8.276   12.670 1.00 30.84  ? 378 LYS   C HE3  1 
ATOM   6047 H  HZ1  . LYS   C 1 133 ? 3.544   8.144   15.379 1.00 32.68  ? 378 LYS   C HZ1  1 
ATOM   6048 H  HZ2  . LYS   C 1 133 ? 3.160   9.363   14.697 1.00 32.68  ? 378 LYS   C HZ2  1 
ATOM   6049 H  HZ3  . LYS   C 1 133 ? 2.238   8.247   14.761 1.00 32.68  ? 378 LYS   C HZ3  1 
ATOM   6050 N  N    . LYS   C 1 134 ? 6.491   5.185   9.712  1.00 16.47  ? 379 LYS   C N    1 
ATOM   6051 C  CA   . LYS   C 1 134 ? 7.685   5.987   9.515  1.00 17.10  ? 379 LYS   C CA   1 
ATOM   6052 C  C    . LYS   C 1 134 ? 7.283   7.293   8.841  1.00 18.55  ? 379 LYS   C C    1 
ATOM   6053 O  O    . LYS   C 1 134 ? 6.168   7.424   8.301  1.00 19.85  ? 379 LYS   C O    1 
ATOM   6054 C  CB   . LYS   C 1 134 ? 8.750   5.285   8.676  1.00 18.63  ? 379 LYS   C CB   1 
ATOM   6055 C  CG   . LYS   C 1 134 ? 8.350   4.965   7.222  1.00 24.55  ? 379 LYS   C CG   1 
ATOM   6056 C  CD   . LYS   C 1 134 ? 9.609   4.466   6.470  1.00 33.39  ? 379 LYS   C CD   1 
ATOM   6057 C  CE   . LYS   C 1 134 ? 9.345   3.312   5.560  1.00 42.66  ? 379 LYS   C CE   1 
ATOM   6058 N  NZ   . LYS   C 1 134 ? 10.648  2.855   4.967  1.00 50.85  ? 379 LYS   C NZ   1 
ATOM   6059 H  H    . LYS   C 1 134 ? 5.860   5.330   9.146  1.00 19.62  ? 379 LYS   C H    1 
ATOM   6060 H  HA   . LYS   C 1 134 ? 8.072   6.171   10.385 1.00 20.38  ? 379 LYS   C HA   1 
ATOM   6061 H  HB2  . LYS   C 1 134 ? 9.534   5.856   8.640  1.00 22.38  ? 379 LYS   C HB2  1 
ATOM   6062 H  HB3  . LYS   C 1 134 ? 8.971   4.444   9.105  1.00 22.38  ? 379 LYS   C HB3  1 
ATOM   6063 H  HG2  . LYS   C 1 134 ? 7.674   4.270   7.207  1.00 29.49  ? 379 LYS   C HG2  1 
ATOM   6064 H  HG3  . LYS   C 1 134 ? 8.014   5.764   6.785  1.00 29.49  ? 379 LYS   C HG3  1 
ATOM   6065 H  HD2  . LYS   C 1 134 ? 9.961   5.193   5.932  1.00 40.10  ? 379 LYS   C HD2  1 
ATOM   6066 H  HD3  . LYS   C 1 134 ? 10.271  4.185   7.121  1.00 40.10  ? 379 LYS   C HD3  1 
ATOM   6067 H  HE2  . LYS   C 1 134 ? 8.950   2.580   6.060  1.00 51.22  ? 379 LYS   C HE2  1 
ATOM   6068 H  HE3  . LYS   C 1 134 ? 8.750   3.584   4.844  1.00 51.22  ? 379 LYS   C HE3  1 
ATOM   6069 H  HZ1  . LYS   C 1 134 ? 10.510  2.158   4.431  1.00 61.05  ? 379 LYS   C HZ1  1 
ATOM   6070 H  HZ2  . LYS   C 1 134 ? 11.016  3.514   4.496  1.00 61.05  ? 379 LYS   C HZ2  1 
ATOM   6071 H  HZ3  . LYS   C 1 134 ? 11.209  2.614   5.614  1.00 61.05  ? 379 LYS   C HZ3  1 
ATOM   6072 N  N    . SER   C 1 135 ? 8.177   8.269   8.911  1.00 19.33  ? 380 SER   C N    1 
ATOM   6073 C  CA   . SER   C 1 135 ? 7.861   9.602   8.419  1.00 21.70  ? 380 SER   C CA   1 
ATOM   6074 C  C    . SER   C 1 135 ? 7.802   9.603   6.891  1.00 22.48  ? 380 SER   C C    1 
ATOM   6075 O  O    . SER   C 1 135 ? 8.493   8.843   6.216  1.00 21.92  ? 380 SER   C O    1 
ATOM   6076 C  CB   . SER   C 1 135 ? 8.899   10.616  8.904  1.00 26.77  ? 380 SER   C CB   1 
ATOM   6077 O  OG   . SER   C 1 135 ? 10.141  10.407  8.294  1.00 32.95  ? 380 SER   C OG   1 
ATOM   6078 H  H    . SER   C 1 135 ? 8.969   8.188   9.236  1.00 23.22  ? 380 SER   C H    1 
ATOM   6079 H  HA   . SER   C 1 135 ? 6.996   9.877   8.761  1.00 26.06  ? 380 SER   C HA   1 
ATOM   6080 H  HB2  . SER   C 1 135 ? 8.589   11.509  8.688  1.00 32.16  ? 380 SER   C HB2  1 
ATOM   6081 H  HB3  . SER   C 1 135 ? 9.001   10.525  9.865  1.00 32.16  ? 380 SER   C HB3  1 
ATOM   6082 H  HG   . SER   C 1 135 ? 10.696  10.974  8.570  1.00 39.57  ? 380 SER   C HG   1 
ATOM   6083 N  N    . ALA   C 1 136 ? 6.962   10.472  6.344  1.00 23.57  ? 381 ALA   C N    1 
ATOM   6084 C  CA   . ALA   C 1 136 ? 6.821   10.572  4.901  1.00 26.84  ? 381 ALA   C CA   1 
ATOM   6085 C  C    . ALA   C 1 136 ? 7.901   11.482  4.334  1.00 26.95  ? 381 ALA   C C    1 
ATOM   6086 O  O    . ALA   C 1 136 ? 8.436   12.357  5.029  1.00 27.20  ? 381 ALA   C O    1 
ATOM   6087 C  CB   . ALA   C 1 136 ? 5.438   11.122  4.535  1.00 28.74  ? 381 ALA   C CB   1 
ATOM   6088 H  H    . ALA   C 1 136 ? 6.462   11.014  6.787  1.00 28.32  ? 381 ALA   C H    1 
ATOM   6089 H  HA   . ALA   C 1 136 ? 6.913   9.693   4.501  1.00 32.24  ? 381 ALA   C HA   1 
ATOM   6090 H  HB1  . ALA   C 1 136 ? 5.358   11.160  3.569  1.00 34.52  ? 381 ALA   C HB1  1 
ATOM   6091 H  HB2  . ALA   C 1 136 ? 4.758   10.534  4.900  1.00 34.52  ? 381 ALA   C HB2  1 
ATOM   6092 H  HB3  . ALA   C 1 136 ? 5.342   12.011  4.910  1.00 34.52  ? 381 ALA   C HB3  1 
ATOM   6093 N  N    . ALA   C 1 137 ? 8.224   11.266  3.066  1.00 27.67  ? 382 ALA   C N    1 
ATOM   6094 C  CA   . ALA   C 1 137 ? 9.125   12.165  2.353  1.00 32.03  ? 382 ALA   C CA   1 
ATOM   6095 C  C    . ALA   C 1 137 ? 8.371   13.393  1.857  1.00 36.78  ? 382 ALA   C C    1 
ATOM   6096 O  O    . ALA   C 1 137 ? 7.171   13.346  1.581  1.00 32.88  ? 382 ALA   C O    1 
ATOM   6097 C  CB   . ALA   C 1 137 ? 9.780   11.446  1.168  1.00 32.45  ? 382 ALA   C CB   1 
ATOM   6098 H  H    . ALA   C 1 137 ? 7.937   10.607  2.594  1.00 33.23  ? 382 ALA   C H    1 
ATOM   6099 H  HA   . ALA   C 1 137 ? 9.828   12.457  2.954  1.00 38.47  ? 382 ALA   C HA   1 
ATOM   6100 H  HB1  . ALA   C 1 137 ? 10.372  12.065  0.712  1.00 38.97  ? 382 ALA   C HB1  1 
ATOM   6101 H  HB2  . ALA   C 1 137 ? 10.285  10.687  1.498  1.00 38.97  ? 382 ALA   C HB2  1 
ATOM   6102 H  HB3  . ALA   C 1 137 ? 9.087   11.143  0.560  1.00 38.97  ? 382 ALA   C HB3  1 
ATOM   6103 N  N    . SER   C 1 138 ? 9.093   14.503  1.732  1.00 47.26  ? 383 SER   C N    1 
ATOM   6104 C  CA   . SER   C 1 138 ? 8.517   15.741  1.221  1.00 55.53  ? 383 SER   C CA   1 
ATOM   6105 C  C    . SER   C 1 138 ? 8.740   15.845  -0.283 1.00 57.03  ? 383 SER   C C    1 
ATOM   6106 O  O    . SER   C 1 138 ? 9.850   15.613  -0.771 1.00 57.31  ? 383 SER   C O    1 
ATOM   6107 C  CB   . SER   C 1 138 ? 9.136   16.951  1.929  1.00 61.60  ? 383 SER   C CB   1 
ATOM   6108 O  OG   . SER   C 1 138 ? 8.686   18.159  1.344  1.00 65.41  ? 383 SER   C OG   1 
ATOM   6109 H  H    . SER   C 1 138 ? 9.926   14.564  1.939  1.00 56.74  ? 383 SER   C H    1 
ATOM   6110 H  HA   . SER   C 1 138 ? 7.561   15.739  1.385  1.00 66.67  ? 383 SER   C HA   1 
ATOM   6111 H  HB2  . SER   C 1 138 ? 8.878   16.937  2.864  1.00 73.94  ? 383 SER   C HB2  1 
ATOM   6112 H  HB3  . SER   C 1 138 ? 10.102  16.902  1.851  1.00 73.94  ? 383 SER   C HB3  1 
ATOM   6113 H  HG   . SER   C 1 138 ? 9.301   18.731  1.358  1.00 78.52  ? 383 SER   C HG   1 
ATOM   6114 N  N    . CYS   C 1 139 ? 7.682   16.177  -1.013 1.00 57.75  ? 384 CYS   C N    1 
ATOM   6115 C  CA   . CYS   C 1 139 ? 7.785   16.360  -2.461 1.00 62.11  ? 384 CYS   C CA   1 
ATOM   6116 C  C    . CYS   C 1 139 ? 7.342   17.779  -2.855 1.00 63.49  ? 384 CYS   C C    1 
ATOM   6117 O  O    . CYS   C 1 139 ? 6.149   18.056  -2.990 1.00 63.48  ? 384 CYS   C O    1 
ATOM   6118 C  CB   . CYS   C 1 139 ? 6.945   15.314  -3.210 1.00 63.48  ? 384 CYS   C CB   1 
ATOM   6119 S  SG   . CYS   C 1 139 ? 7.422   13.588  -2.887 1.00 62.19  ? 384 CYS   C SG   1 
ATOM   6120 H  H    . CYS   C 1 139 ? 6.893   16.302  -0.696 1.00 69.33  ? 384 CYS   C H    1 
ATOM   6121 H  HA   . CYS   C 1 139 ? 8.708   16.239  -2.732 1.00 74.56  ? 384 CYS   C HA   1 
ATOM   6122 H  HB2  . CYS   C 1 139 ? 6.018   15.416  -2.945 1.00 76.20  ? 384 CYS   C HB2  1 
ATOM   6123 H  HB3  . CYS   C 1 139 ? 7.037   15.470  -4.163 1.00 76.20  ? 384 CYS   C HB3  1 
HETATM 6124 CA CA   . CA    D 2 .   ? -19.494 19.934  32.043 1.00 19.57  ? 501 CA    A CA   1 
HETATM 6125 CA CA   . CA    E 2 .   ? -14.177 14.815  28.016 1.00 14.38  ? 502 CA    A CA   1 
HETATM 6126 CA CA   . CA    F 2 .   ? -19.331 23.419  33.577 1.00 44.21  ? 503 CA    A CA   1 
HETATM 6127 C  C4   . A1H5Y G 3 .   ? -11.120 15.103  26.593 1.00 19.50  ? 504 A1H5Y A C4   1 
HETATM 6128 C  C5   . A1H5Y G 3 .   ? -10.263 15.464  25.384 1.00 20.85  ? 504 A1H5Y A C5   1 
HETATM 6129 C  C6   . A1H5Y G 3 .   ? -9.916  16.914  25.305 1.00 24.21  ? 504 A1H5Y A C6   1 
HETATM 6130 N  N2   . A1H5Y G 3 .   ? -9.398  12.867  27.783 1.00 27.23  ? 504 A1H5Y A N2   1 
HETATM 6131 C  C3   . A1H5Y G 3 .   ? -11.429 13.623  26.567 1.00 20.29  ? 504 A1H5Y A C3   1 
HETATM 6132 C  C1   . A1H5Y G 3 .   ? -9.340  13.241  25.319 1.00 19.94  ? 504 A1H5Y A C1   1 
HETATM 6133 C  C2   . A1H5Y G 3 .   ? -10.156 12.799  26.513 1.00 22.07  ? 504 A1H5Y A C2   1 
HETATM 6134 C  CAM  . A1H5Y G 3 .   ? -9.345  13.208  23.005 1.00 22.66  ? 504 A1H5Y A CAM  1 
HETATM 6135 C  CAN  . A1H5Y G 3 .   ? -10.359 13.072  21.790 1.00 25.32  ? 504 A1H5Y A CAN  1 
HETATM 6136 C  CAO  . A1H5Y G 3 .   ? -11.468 14.043  22.024 1.00 27.74  ? 504 A1H5Y A CAO  1 
HETATM 6137 C  CAR  . A1H5Y G 3 .   ? -8.482  13.711  28.243 1.00 27.63  ? 504 A1H5Y A CAR  1 
HETATM 6138 C  CAS  . A1H5Y G 3 .   ? -8.195  13.257  29.459 1.00 29.21  ? 504 A1H5Y A CAS  1 
HETATM 6139 C  CAV  . A1H5Y G 3 .   ? -7.315  13.789  30.331 1.00 35.73  ? 504 A1H5Y A CAV  1 
HETATM 6140 C  CAW  . A1H5Y G 3 .   ? -7.262  13.312  31.635 1.00 36.14  ? 504 A1H5Y A CAW  1 
HETATM 6141 C  CAX  . A1H5Y G 3 .   ? -6.366  13.857  32.554 1.00 35.12  ? 504 A1H5Y A CAX  1 
HETATM 6142 C  CAY  . A1H5Y G 3 .   ? -5.521  14.884  32.156 1.00 37.81  ? 504 A1H5Y A CAY  1 
HETATM 6143 C  CAZ  . A1H5Y G 3 .   ? -5.573  15.367  30.852 1.00 40.90  ? 504 A1H5Y A CAZ  1 
HETATM 6144 C  CBA  . A1H5Y G 3 .   ? -6.471  14.824  29.943 1.00 39.95  ? 504 A1H5Y A CBA  1 
HETATM 6145 N  NAT  . A1H5Y G 3 .   ? -8.917  12.188  29.693 1.00 27.28  ? 504 A1H5Y A NAT  1 
HETATM 6146 N  NAU  . A1H5Y G 3 .   ? -9.624  11.980  28.665 1.00 27.12  ? 504 A1H5Y A NAU  1 
HETATM 6147 O  O1   . A1H5Y G 3 .   ? -10.114 12.935  24.151 1.00 19.69  ? 504 A1H5Y A O1   1 
HETATM 6148 O  O3   . A1H5Y G 3 .   ? -12.196 13.308  27.725 1.00 18.35  ? 504 A1H5Y A O3   1 
HETATM 6149 O  O4   . A1H5Y G 3 .   ? -12.369 15.799  26.582 1.00 18.70  ? 504 A1H5Y A O4   1 
HETATM 6150 O  O5   . A1H5Y G 3 .   ? -9.038  14.667  25.390 1.00 19.40  ? 504 A1H5Y A O5   1 
HETATM 6151 O  O6   . A1H5Y G 3 .   ? -9.069  17.169  26.534 1.00 26.16  ? 504 A1H5Y A O6   1 
HETATM 6152 O  OAP  . A1H5Y G 3 .   ? -12.362 13.875  20.828 1.00 30.10  ? 504 A1H5Y A OAP  1 
HETATM 6153 O  OAQ  . A1H5Y G 3 .   ? -10.873 11.718  21.751 1.00 25.75  ? 504 A1H5Y A OAQ  1 
HETATM 6154 H  H41  . A1H5Y G 3 .   ? -10.556 15.382  27.483 1.00 23.42  ? 504 A1H5Y A H41  1 
HETATM 6155 H  H5   . A1H5Y G 3 .   ? -10.865 15.241  24.504 1.00 25.05  ? 504 A1H5Y A H5   1 
HETATM 6156 H  H62  . A1H5Y G 3 .   ? -10.817 17.527  25.324 1.00 29.08  ? 504 A1H5Y A H62  1 
HETATM 6157 H  H61  . A1H5Y G 3 .   ? -9.351  17.125  24.397 1.00 29.08  ? 504 A1H5Y A H61  1 
HETATM 6158 H  H31  . A1H5Y G 3 .   ? -11.999 13.381  25.671 1.00 24.38  ? 504 A1H5Y A H31  1 
HETATM 6159 H  H1   . A1H5Y G 3 .   ? -8.381  12.724  25.293 1.00 23.95  ? 504 A1H5Y A H1   1 
HETATM 6160 H  H2   . A1H5Y G 3 .   ? -10.420 11.751  26.371 1.00 26.51  ? 504 A1H5Y A H2   1 
HETATM 6161 H  HAM  . A1H5Y G 3 .   ? -8.934  14.216  23.050 1.00 27.22  ? 504 A1H5Y A HAM  1 
HETATM 6162 H  H63  . A1H5Y G 3 .   ? -8.532  12.488  22.908 1.00 27.22  ? 504 A1H5Y A H63  1 
HETATM 6163 H  HAN  . A1H5Y G 3 .   ? -9.871  13.283  20.838 1.00 30.42  ? 504 A1H5Y A HAN  1 
HETATM 6164 H  HAO  . A1H5Y G 3 .   ? -12.003 13.805  22.943 1.00 33.32  ? 504 A1H5Y A HAO  1 
HETATM 6165 H  H64  . A1H5Y G 3 .   ? -11.084 15.062  22.080 1.00 33.32  ? 504 A1H5Y A H64  1 
HETATM 6166 H  HAR  . A1H5Y G 3 .   ? -8.061  14.580  27.738 1.00 33.18  ? 504 A1H5Y A HAR  1 
HETATM 6167 H  HAW  . A1H5Y G 3 .   ? -7.926  12.505  31.942 1.00 43.40  ? 504 A1H5Y A HAW  1 
HETATM 6168 H  HAX  . A1H5Y G 3 .   ? -6.330  13.481  33.577 1.00 42.17  ? 504 A1H5Y A HAX  1 
HETATM 6169 H  HAY  . A1H5Y G 3 .   ? -4.816  15.314  32.867 1.00 45.41  ? 504 A1H5Y A HAY  1 
HETATM 6170 H  HAZ  . A1H5Y G 3 .   ? -4.906  16.172  30.544 1.00 49.10  ? 504 A1H5Y A HAZ  1 
HETATM 6171 H  HBA  . A1H5Y G 3 .   ? -6.515  15.210  28.924 1.00 47.97  ? 504 A1H5Y A HBA  1 
HETATM 6172 H  H32  . A1H5Y G 3 .   ? -11.886 13.868  28.494 1.00 22.04  ? 504 A1H5Y A H32  1 
HETATM 6173 H  H42  . A1H5Y G 3 .   ? -13.118 15.138  26.538 1.00 22.46  ? 504 A1H5Y A H42  1 
HETATM 6174 H  H65  . A1H5Y G 3 .   ? -9.645  17.126  27.351 1.00 31.42  ? 504 A1H5Y A H65  1 
HETATM 6175 H  HAP  . A1H5Y G 3 .   ? -12.725 12.944  20.811 1.00 36.15  ? 504 A1H5Y A HAP  1 
HETATM 6176 H  HAQ  . A1H5Y G 3 .   ? -11.453 11.558  22.550 1.00 30.93  ? 504 A1H5Y A HAQ  1 
HETATM 6177 CA CA   . CA    H 2 .   ? -32.597 -10.726 32.043 1.00 20.26  ? 501 CA    B CA   1 
HETATM 6178 CA CA   . CA    I 2 .   ? -30.833 -3.539  27.994 1.00 15.60  ? 502 CA    B CA   1 
HETATM 6179 CA CA   . CA    J 2 .   ? -36.029 -12.500 33.549 1.00 79.68  ? 503 CA    B CA   1 
HETATM 6180 C  C4   . A1H5Y K 3 .   ? -32.643 -1.019  26.649 1.00 16.78  ? 504 A1H5Y B C4   1 
HETATM 6181 C  C5   . A1H5Y K 3 .   ? -33.377 -0.461  25.400 1.00 18.81  ? 504 A1H5Y B C5   1 
HETATM 6182 C  C6   . A1H5Y K 3 .   ? -34.814 -0.838  25.329 1.00 23.35  ? 504 A1H5Y B C6   1 
HETATM 6183 N  N2   . A1H5Y K 3 .   ? -31.500 1.585   27.815 1.00 20.70  ? 504 A1H5Y B N2   1 
HETATM 6184 C  C3   . A1H5Y K 3 .   ? -31.189 -0.582  26.597 1.00 16.42  ? 504 A1H5Y B C3   1 
HETATM 6185 C  C1   . A1H5Y K 3 .   ? -31.896 1.441   25.338 1.00 18.83  ? 504 A1H5Y B C1   1 
HETATM 6186 C  C2   . A1H5Y K 3 .   ? -31.082 0.963   26.523 1.00 18.12  ? 504 A1H5Y B C2   1 
HETATM 6187 C  CAM  . A1H5Y K 3 .   ? -31.919 1.465   23.019 1.00 25.71  ? 504 A1H5Y B CAM  1 
HETATM 6188 C  CAN  . A1H5Y K 3 .   ? -31.287 0.661   21.802 1.00 29.38  ? 504 A1H5Y B CAN  1 
HETATM 6189 C  CAO  . A1H5Y K 3 .   ? -31.574 -0.783  22.084 1.00 33.41  ? 504 A1H5Y B CAO  1 
HETATM 6190 C  CAR  . A1H5Y K 3 .   ? -32.692 1.928   28.289 1.00 21.13  ? 504 A1H5Y B CAR  1 
HETATM 6191 C  CAS  . A1H5Y K 3 .   ? -32.439 2.419   29.517 1.00 22.75  ? 504 A1H5Y B CAS  1 
HETATM 6192 C  CAV  . A1H5Y K 3 .   ? -33.342 2.900   30.389 1.00 36.21  ? 504 A1H5Y B CAV  1 
HETATM 6193 C  CAW  . A1H5Y K 3 .   ? -32.948 3.210   31.690 1.00 39.18  ? 504 A1H5Y B CAW  1 
HETATM 6194 C  CAX  . A1H5Y K 3 .   ? -33.878 3.699   32.605 1.00 41.61  ? 504 A1H5Y B CAX  1 
HETATM 6195 C  CAY  . A1H5Y K 3 .   ? -35.198 3.877   32.222 1.00 44.27  ? 504 A1H5Y B CAY  1 
HETATM 6196 C  CAZ  . A1H5Y K 3 .   ? -35.592 3.567   30.928 1.00 46.22  ? 504 A1H5Y B CAZ  1 
HETATM 6197 C  CBA  . A1H5Y K 3 .   ? -34.665 3.077   30.016 1.00 43.40  ? 504 A1H5Y B CBA  1 
HETATM 6198 N  NAT  . A1H5Y K 3 .   ? -31.131 2.349   29.748 1.00 20.85  ? 504 A1H5Y B NAT  1 
HETATM 6199 N  NAU  . A1H5Y K 3 .   ? -30.596 1.833   28.703 1.00 21.14  ? 504 A1H5Y B NAU  1 
HETATM 6200 O  O1   . A1H5Y K 3 .   ? -31.263 0.917   24.160 1.00 21.06  ? 504 A1H5Y B O1   1 
HETATM 6201 O  O3   . A1H5Y K 3 .   ? -30.493 -1.038  27.750 1.00 17.49  ? 504 A1H5Y B O3   1 
HETATM 6202 O  O4   . A1H5Y K 3 .   ? -32.720 -2.442  26.652 1.00 18.62  ? 504 A1H5Y B O4   1 
HETATM 6203 O  O5   . A1H5Y K 3 .   ? -33.253 1.016   25.392 1.00 19.34  ? 504 A1H5Y B O5   1 
HETATM 6204 O  O6   . A1H5Y K 3 .   ? -35.391 -0.226  26.565 1.00 27.23  ? 504 A1H5Y B O6   1 
HETATM 6205 O  OAP  . A1H5Y K 3 .   ? -30.995 -1.508  20.922 1.00 36.11  ? 504 A1H5Y B OAP  1 
HETATM 6206 O  OAQ  . A1H5Y K 3 .   ? -29.858 0.913   21.737 1.00 28.89  ? 504 A1H5Y B OAQ  1 
HETATM 6207 H  H41  . A1H5Y K 3 .   ? -33.110 -0.638  27.557 1.00 20.17  ? 504 A1H5Y B H41  1 
HETATM 6208 H  H5   . A1H5Y K 3 .   ? -32.900 -0.906  24.526 1.00 22.60  ? 504 A1H5Y B H5   1 
HETATM 6209 H  H62  . A1H5Y K 3 .   ? -34.935 -1.922  25.338 1.00 28.05  ? 504 A1H5Y B H62  1 
HETATM 6210 H  H61  . A1H5Y K 3 .   ? -35.283 -0.428  24.435 1.00 28.05  ? 504 A1H5Y B H61  1 
HETATM 6211 H  H31  . A1H5Y K 3 .   ? -30.742 -1.017  25.703 1.00 19.74  ? 504 A1H5Y B H31  1 
HETATM 6212 H  H1   . A1H5Y K 3 .   ? -31.922 2.530   25.338 1.00 22.62  ? 504 A1H5Y B H1   1 
HETATM 6213 H  H2   . A1H5Y K 3 .   ? -30.048 1.262   26.353 1.00 21.77  ? 504 A1H5Y B H2   1 
HETATM 6214 H  HAM  . A1H5Y K 3 .   ? -32.995 1.304   23.075 1.00 30.88  ? 504 A1H5Y B HAM  1 
HETATM 6215 H  H63  . A1H5Y K 3 .   ? -31.715 2.532   22.928 1.00 30.88  ? 504 A1H5Y B H63  1 
HETATM 6216 H  HAN  . A1H5Y K 3 .   ? -31.704 0.961   20.840 1.00 35.29  ? 504 A1H5Y B HAN  1 
HETATM 6217 H  HAO  . A1H5Y K 3 .   ? -31.096 -1.097  23.012 1.00 40.12  ? 504 A1H5Y B HAO  1 
HETATM 6218 H  H64  . A1H5Y K 3 .   ? -32.648 -0.957  22.151 1.00 40.12  ? 504 A1H5Y B H64  1 
HETATM 6219 H  HAR  . A1H5Y K 3 .   ? -33.659 1.834   27.794 1.00 25.38  ? 504 A1H5Y B HAR  1 
HETATM 6220 H  HAW  . A1H5Y K 3 .   ? -31.910 3.070   31.992 1.00 47.04  ? 504 A1H5Y B HAW  1 
HETATM 6221 H  HAX  . A1H5Y K 3 .   ? -33.568 3.941   33.622 1.00 49.96  ? 504 A1H5Y B HAX  1 
HETATM 6222 H  HAY  . A1H5Y K 3 .   ? -35.926 4.261   32.937 1.00 53.15  ? 504 A1H5Y B HAY  1 
HETATM 6223 H  HAZ  . A1H5Y K 3 .   ? -36.630 3.707   30.626 1.00 55.50  ? 504 A1H5Y B HAZ  1 
HETATM 6224 H  HBA  . A1H5Y K 3 .   ? -34.980 2.831   29.002 1.00 52.11  ? 504 A1H5Y B HBA  1 
HETATM 6225 H  H32  . A1H5Y K 3 .   ? -31.148 -1.234  28.480 1.00 21.02  ? 504 A1H5Y B H32  1 
HETATM 6226 H  H42  . A1H5Y K 3 .   ? -31.813 -2.826  26.480 1.00 22.37  ? 504 A1H5Y B H42  1 
HETATM 6227 H  H65  . A1H5Y K 3 .   ? -35.081 -0.737  27.366 1.00 32.71  ? 504 A1H5Y B H65  1 
HETATM 6228 H  HAP  . A1H5Y K 3 .   ? -30.018 -1.306  20.856 1.00 43.36  ? 504 A1H5Y B HAP  1 
HETATM 6229 H  HAQ  . A1H5Y K 3 .   ? -29.416 0.542   22.555 1.00 34.70  ? 504 A1H5Y B HAQ  1 
HETATM 6230 CA CA   . CA    L 2 .   ? 0.443   -6.706  31.997 1.00 26.23  ? 501 CA    C CA   1 
HETATM 6231 CA CA   . CA    M 2 .   ? -6.613  -8.783  27.927 1.00 19.02  ? 502 CA    C CA   1 
HETATM 6232 CA CA   . CA    N 2 .   ? 3.530   -8.611  33.567 1.00 54.43  ? 503 CA    C CA   1 
HETATM 6233 C  C4   . A1H5Y O 3 .   ? -7.943  -11.563 26.581 1.00 19.80  ? 504 A1H5Y C C4   1 
HETATM 6234 C  C5   . A1H5Y O 3 .   ? -8.044  -12.498 25.360 1.00 22.32  ? 504 A1H5Y C C5   1 
HETATM 6235 C  C6   . A1H5Y O 3 .   ? -6.952  -13.519 25.267 1.00 24.45  ? 504 A1H5Y C C6   1 
HETATM 6236 N  N2   . A1H5Y O 3 .   ? -10.749 -11.981 27.772 1.00 25.10  ? 504 A1H5Y C N2   1 
HETATM 6237 C  C3   . A1H5Y O 3 .   ? -9.071  -10.561 26.545 1.00 20.38  ? 504 A1H5Y C C3   1 
HETATM 6238 C  C1   . A1H5Y O 3 .   ? -10.423 -12.215 25.325 1.00 20.03  ? 504 A1H5Y C C1   1 
HETATM 6239 C  C2   . A1H5Y O 3 .   ? -10.430 -11.287 26.495 1.00 21.02  ? 504 A1H5Y C C2   1 
HETATM 6240 C  CAM  . A1H5Y O 3 .   ? -10.428 -12.221 23.021 1.00 22.12  ? 504 A1H5Y C CAM  1 
HETATM 6241 C  CAN  . A1H5Y O 3 .   ? -10.070 -11.268 21.801 1.00 28.29  ? 504 A1H5Y C CAN  1 
HETATM 6242 C  CAO  . A1H5Y O 3 .   ? -8.700  -10.744 22.043 1.00 31.53  ? 504 A1H5Y C CAO  1 
HETATM 6243 C  CAR  . A1H5Y O 3 .   ? -10.437 -13.184 28.236 1.00 25.52  ? 504 A1H5Y C CAR  1 
HETATM 6244 C  CAS  . A1H5Y O 3 .   ? -10.982 -13.233 29.436 1.00 27.47  ? 504 A1H5Y C CAS  1 
HETATM 6245 C  CAV  . A1H5Y O 3 .   ? -10.951 -14.265 30.310 1.00 35.45  ? 504 A1H5Y C CAV  1 
HETATM 6246 C  CAW  . A1H5Y O 3 .   ? -11.438 -14.081 31.601 1.00 36.84  ? 504 A1H5Y C CAW  1 
HETATM 6247 C  CAX  . A1H5Y O 3 .   ? -11.415 -15.120 32.519 1.00 39.30  ? 504 A1H5Y C CAX  1 
HETATM 6248 C  CAY  . A1H5Y O 3 .   ? -10.900 -16.359 32.139 1.00 42.68  ? 504 A1H5Y C CAY  1 
HETATM 6249 C  CAZ  . A1H5Y O 3 .   ? -10.407 -16.544 30.855 1.00 44.91  ? 504 A1H5Y C CAZ  1 
HETATM 6250 C  CBA  . A1H5Y O 3 .   ? -10.433 -15.492 29.936 1.00 42.37  ? 504 A1H5Y C CBA  1 
HETATM 6251 N  NAT  . A1H5Y O 3 .   ? -11.597 -12.092 29.661 1.00 25.15  ? 504 A1H5Y C NAT  1 
HETATM 6252 N  NAU  . A1H5Y O 3 .   ? -11.420 -11.369 28.642 1.00 25.03  ? 504 A1H5Y C NAU  1 
HETATM 6253 O  O1   . A1H5Y O 3 .   ? -10.310 -11.382 24.165 1.00 19.48  ? 504 A1H5Y C O1   1 
HETATM 6254 O  O3   . A1H5Y O 3 .   ? -9.006  -9.705  27.706 1.00 20.25  ? 504 A1H5Y C O3   1 
HETATM 6255 O  O4   . A1H5Y O 3 .   ? -6.698  -10.816 26.540 1.00 18.45  ? 504 A1H5Y C O4   1 
HETATM 6256 O  O5   . A1H5Y O 3 .   ? -9.345  -13.175 25.365 1.00 20.64  ? 504 A1H5Y C O5   1 
HETATM 6257 O  O6   . A1H5Y O 3 .   ? -7.090  -14.410 26.476 1.00 24.63  ? 504 A1H5Y C O6   1 
HETATM 6258 O  OAP  . A1H5Y O 3 .   ? -8.442  -9.863  20.860 1.00 33.43  ? 504 A1H5Y C OAP  1 
HETATM 6259 O  OAQ  . A1H5Y O 3 .   ? -11.017 -10.187 21.741 1.00 31.06  ? 504 A1H5Y C OAQ  1 
HETATM 6260 H  H41  . A1H5Y O 3 .   ? -7.991  -12.174 27.483 1.00 23.79  ? 504 A1H5Y C H41  1 
HETATM 6261 H  H5   . A1H5Y O 3 .   ? -7.934  -11.858 24.485 1.00 26.81  ? 504 A1H5Y C H5   1 
HETATM 6262 H  H62  . A1H5Y O 3 .   ? -5.978  -13.028 25.270 1.00 29.36  ? 504 A1H5Y C H62  1 
HETATM 6263 H  H61  . A1H5Y O 3 .   ? -7.061  -14.104 24.354 1.00 29.36  ? 504 A1H5Y C H61  1 
HETATM 6264 H  H31  . A1H5Y O 3 .   ? -8.971  -9.949  25.649 1.00 24.48  ? 504 A1H5Y C H31  1 
HETATM 6265 H  H1   . A1H5Y O 3 .   ? -11.335 -12.812 25.323 1.00 24.07  ? 504 A1H5Y C H1   1 
HETATM 6266 H  H2   . A1H5Y O 3 .   ? -11.219 -10.550 26.351 1.00 25.26  ? 504 A1H5Y C H2   1 
HETATM 6267 H  HAM  . A1H5Y O 3 .   ? -9.729  -13.055 23.079 1.00 26.57  ? 504 A1H5Y C HAM  1 
HETATM 6268 H  H63  . A1H5Y O 3 .   ? -11.444 -12.605 22.927 1.00 26.57  ? 504 A1H5Y C H63  1 
HETATM 6269 H  HAN  . A1H5Y O 3 .   ? -10.110 -11.807 20.854 1.00 33.98  ? 504 A1H5Y C HAN  1 
HETATM 6270 H  HAO  . A1H5Y O 3 .   ? -8.662  -10.171 22.969 1.00 37.86  ? 504 A1H5Y C HAO  1 
HETATM 6271 H  H64  . A1H5Y O 3 .   ? -7.975  -11.556 22.088 1.00 37.86  ? 504 A1H5Y C H64  1 
HETATM 6272 H  HAR  . A1H5Y O 3 .   ? -9.858  -13.960 27.736 1.00 30.65  ? 504 A1H5Y C HAR  1 
HETATM 6273 H  HAW  . A1H5Y O 3 .   ? -11.840 -13.112 31.894 1.00 44.24  ? 504 A1H5Y C HAW  1 
HETATM 6274 H  HAX  . A1H5Y O 3 .   ? -11.796 -14.969 33.529 1.00 47.18  ? 504 A1H5Y C HAX  1 
HETATM 6275 H  HAY  . A1H5Y O 3 .   ? -10.885 -17.184 32.852 1.00 51.25  ? 504 A1H5Y C HAY  1 
HETATM 6276 H  HAZ  . A1H5Y O 3 .   ? -9.999  -17.511 30.563 1.00 53.92  ? 504 A1H5Y C HAZ  1 
HETATM 6277 H  HBA  . A1H5Y O 3 .   ? -10.047 -15.637 28.927 1.00 50.87  ? 504 A1H5Y C HBA  1 
HETATM 6278 H  H32  . A1H5Y O 3 .   ? -8.155  -9.881  28.203 1.00 24.32  ? 504 A1H5Y C H32  1 
HETATM 6279 H  H42  . A1H5Y O 3 .   ? -6.897  -9.843  26.420 1.00 22.16  ? 504 A1H5Y C H42  1 
HETATM 6280 H  H65  . A1H5Y O 3 .   ? -6.930  -13.875 27.305 1.00 29.58  ? 504 A1H5Y C H65  1 
HETATM 6281 H  HAP  . A1H5Y O 3 .   ? -8.470  -10.411 20.024 1.00 40.14  ? 504 A1H5Y C HAP  1 
HETATM 6282 H  HAQ  . A1H5Y O 3 .   ? -10.891 -9.589  22.533 1.00 37.30  ? 504 A1H5Y C HAQ  1 
HETATM 6283 O  O    . HOH   P 4 .   ? -10.445 17.488  22.066 1.00 27.36  ? 601 HOH   A O    1 
HETATM 6284 O  O    . HOH   P 4 .   ? -26.675 18.942  37.513 1.00 34.51  ? 602 HOH   A O    1 
HETATM 6285 O  O    . HOH   P 4 .   ? -19.425 16.777  35.781 1.00 39.89  ? 603 HOH   A O    1 
HETATM 6286 O  O    . HOH   P 4 .   ? -30.268 16.427  -0.808 1.00 40.34  ? 604 HOH   A O    1 
HETATM 6287 O  O    . HOH   P 4 .   ? -29.314 32.937  6.492  1.00 35.75  ? 605 HOH   A O    1 
HETATM 6288 O  O    . HOH   P 4 .   ? -40.629 14.994  -7.685 1.00 43.52  ? 606 HOH   A O    1 
HETATM 6289 O  O    . HOH   P 4 .   ? -13.684 29.791  19.781 1.00 30.86  ? 607 HOH   A O    1 
HETATM 6290 O  O    . HOH   P 4 .   ? -21.840 23.641  33.622 1.00 22.80  ? 608 HOH   A O    1 
HETATM 6291 O  O    . HOH   P 4 .   ? -27.156 32.503  17.785 1.00 43.66  ? 609 HOH   A O    1 
HETATM 6292 O  O    . HOH   P 4 .   ? -35.722 13.904  25.783 1.00 27.18  ? 610 HOH   A O    1 
HETATM 6293 O  O    . HOH   P 4 .   ? -35.073 10.089  15.068 1.00 26.21  ? 611 HOH   A O    1 
HETATM 6294 O  O    . HOH   P 4 .   ? -30.005 9.446   2.011  1.00 20.25  ? 612 HOH   A O    1 
HETATM 6295 O  O    . HOH   P 4 .   ? -12.763 9.027   20.979 1.00 20.19  ? 613 HOH   A O    1 
HETATM 6296 O  O    . HOH   P 4 .   ? -35.461 6.300   24.670 1.00 37.36  ? 614 HOH   A O    1 
HETATM 6297 O  O    . HOH   P 4 .   ? -32.103 19.095  15.672 1.00 22.64  ? 615 HOH   A O    1 
HETATM 6298 O  O    . HOH   P 4 .   ? -28.134 23.444  -0.502 1.00 28.97  ? 616 HOH   A O    1 
HETATM 6299 O  O    . HOH   P 4 .   ? -24.982 15.710  3.554  1.00 31.03  ? 617 HOH   A O    1 
HETATM 6300 O  O    . HOH   P 4 .   ? -13.476 9.505   33.896 1.00 46.73  ? 618 HOH   A O    1 
HETATM 6301 O  O    . HOH   P 4 .   ? -35.651 6.078   14.330 1.00 36.54  ? 619 HOH   A O    1 
HETATM 6302 O  O    . HOH   P 4 .   ? -24.280 7.236   8.297  1.00 13.75  ? 620 HOH   A O    1 
HETATM 6303 O  O    . HOH   P 4 .   ? -18.145 26.181  29.647 1.00 43.04  ? 621 HOH   A O    1 
HETATM 6304 O  O    . HOH   P 4 .   ? -35.964 19.101  18.150 1.00 35.70  ? 622 HOH   A O    1 
HETATM 6305 O  O    . HOH   P 4 .   ? -27.983 2.349   19.347 1.00 21.13  ? 623 HOH   A O    1 
HETATM 6306 O  O    . HOH   P 4 .   ? -38.100 14.788  22.659 1.00 44.78  ? 624 HOH   A O    1 
HETATM 6307 O  O    . HOH   P 4 .   ? -27.644 22.011  31.937 1.00 26.55  ? 625 HOH   A O    1 
HETATM 6308 O  O    . HOH   P 4 .   ? -27.521 -0.930  24.546 1.00 22.31  ? 626 HOH   A O    1 
HETATM 6309 O  O    . HOH   P 4 .   ? -26.960 34.835  12.442 1.00 23.19  ? 627 HOH   A O    1 
HETATM 6310 O  O    . HOH   P 4 .   ? -27.884 3.865   28.068 1.00 20.44  ? 628 HOH   A O    1 
HETATM 6311 O  O    . HOH   P 4 .   ? -35.333 9.198   12.681 1.00 22.57  ? 629 HOH   A O    1 
HETATM 6312 O  O    . HOH   P 4 .   ? -12.123 9.106   28.710 1.00 19.60  ? 630 HOH   A O    1 
HETATM 6313 O  O    . HOH   P 4 .   ? -23.919 3.900   18.085 1.00 32.93  ? 631 HOH   A O    1 
HETATM 6314 O  O    . HOH   P 4 .   ? -37.317 21.877  6.690  1.00 34.51  ? 632 HOH   A O    1 
HETATM 6315 O  O    . HOH   P 4 .   ? -22.979 32.709  12.233 1.00 28.58  ? 633 HOH   A O    1 
HETATM 6316 O  O    . HOH   P 4 .   ? -30.882 4.793   22.745 1.00 20.04  ? 634 HOH   A O    1 
HETATM 6317 O  O    . HOH   P 4 .   ? -9.832  20.222  24.474 1.00 34.53  ? 635 HOH   A O    1 
HETATM 6318 O  O    . HOH   P 4 .   ? -19.064 17.669  31.729 1.00 20.20  ? 636 HOH   A O    1 
HETATM 6319 O  O    . HOH   P 4 .   ? -14.456 10.647  15.151 1.00 29.80  ? 637 HOH   A O    1 
HETATM 6320 O  O    . HOH   P 4 .   ? -28.012 22.572  25.474 1.00 26.58  ? 638 HOH   A O    1 
HETATM 6321 O  O    . HOH   P 4 .   ? -19.285 3.772   24.814 1.00 36.40  ? 639 HOH   A O    1 
HETATM 6322 O  O    . HOH   P 4 .   ? -14.160 6.139   20.395 1.00 31.82  ? 640 HOH   A O    1 
HETATM 6323 O  O    . HOH   P 4 .   ? -13.353 25.418  29.360 1.00 39.80  ? 641 HOH   A O    1 
HETATM 6324 O  O    . HOH   P 4 .   ? -21.380 26.922  32.209 1.00 33.81  ? 642 HOH   A O    1 
HETATM 6325 O  O    . HOH   P 4 .   ? -25.548 32.763  6.729  1.00 34.88  ? 643 HOH   A O    1 
HETATM 6326 O  O    . HOH   P 4 .   ? -16.260 29.539  15.782 1.00 20.28  ? 644 HOH   A O    1 
HETATM 6327 O  O    . HOH   P 4 .   ? -34.564 11.187  11.006 1.00 12.79  ? 645 HOH   A O    1 
HETATM 6328 O  O    . HOH   P 4 .   ? -31.006 14.522  31.726 1.00 37.28  ? 646 HOH   A O    1 
HETATM 6329 O  O    . HOH   P 4 .   ? -22.740 33.090  16.872 1.00 27.91  ? 647 HOH   A O    1 
HETATM 6330 O  O    . HOH   P 4 .   ? -12.169 12.258  14.522 1.00 30.04  ? 648 HOH   A O    1 
HETATM 6331 O  O    . HOH   P 4 .   ? -13.247 8.167   13.808 1.00 26.22  ? 649 HOH   A O    1 
HETATM 6332 O  O    . HOH   P 4 .   ? -18.642 32.635  19.516 1.00 39.51  ? 650 HOH   A O    1 
HETATM 6333 O  O    . HOH   P 4 .   ? -13.849 5.717   5.946  1.00 50.90  ? 651 HOH   A O    1 
HETATM 6334 O  O    . HOH   P 4 .   ? -32.329 11.981  25.123 1.00 25.15  ? 652 HOH   A O    1 
HETATM 6335 O  O    . HOH   P 4 .   ? -28.299 14.614  32.477 1.00 27.80  ? 653 HOH   A O    1 
HETATM 6336 O  O    . HOH   P 4 .   ? -38.186 10.110  11.996 1.00 40.38  ? 654 HOH   A O    1 
HETATM 6337 O  O    . HOH   P 4 .   ? -12.022 15.547  7.124  1.00 39.66  ? 655 HOH   A O    1 
HETATM 6338 O  O    . HOH   P 4 .   ? -12.691 28.326  13.209 1.00 55.86  ? 656 HOH   A O    1 
HETATM 6339 O  O    . HOH   P 4 .   ? -31.303 24.792  3.550  1.00 34.58  ? 657 HOH   A O    1 
HETATM 6340 O  O    . HOH   P 4 .   ? -12.704 18.712  14.712 1.00 32.93  ? 658 HOH   A O    1 
HETATM 6341 O  O    . HOH   P 4 .   ? -28.874 25.351  16.067 1.00 17.78  ? 659 HOH   A O    1 
HETATM 6342 O  O    . HOH   P 4 .   ? -34.848 16.868  16.352 1.00 28.40  ? 660 HOH   A O    1 
HETATM 6343 O  O    . HOH   P 4 .   ? -11.908 16.505  13.350 1.00 19.98  ? 661 HOH   A O    1 
HETATM 6344 O  O    . HOH   P 4 .   ? -35.964 10.439  22.408 1.00 24.59  ? 662 HOH   A O    1 
HETATM 6345 O  O    . HOH   P 4 .   ? -17.595 4.295   22.661 1.00 30.50  ? 663 HOH   A O    1 
HETATM 6346 O  O    . HOH   P 4 .   ? -29.266 3.917   31.576 1.00 32.83  ? 664 HOH   A O    1 
HETATM 6347 O  O    . HOH   P 4 .   ? -22.866 16.520  4.699  1.00 23.07  ? 665 HOH   A O    1 
HETATM 6348 O  O    . HOH   P 4 .   ? -33.966 26.954  13.375 1.00 40.52  ? 666 HOH   A O    1 
HETATM 6349 O  O    . HOH   P 4 .   ? -11.278 10.087  31.372 1.00 35.92  ? 667 HOH   A O    1 
HETATM 6350 O  O    . HOH   P 4 .   ? -8.870  0.967   31.556 1.00 40.49  ? 668 HOH   A O    1 
HETATM 6351 O  O    . HOH   P 4 .   ? -36.402 13.063  14.594 1.00 30.47  ? 669 HOH   A O    1 
HETATM 6352 O  O    . HOH   P 4 .   ? -31.286 22.905  -2.834 1.00 25.38  ? 670 HOH   A O    1 
HETATM 6353 O  O    . HOH   P 4 .   ? -34.240 6.790   5.379  1.00 21.57  ? 671 HOH   A O    1 
HETATM 6354 O  O    . HOH   P 4 .   ? -11.286 18.640  18.103 1.00 45.21  ? 672 HOH   A O    1 
HETATM 6355 O  O    . HOH   P 4 .   ? -37.986 13.150  -5.348 1.00 25.48  ? 673 HOH   A O    1 
HETATM 6356 O  O    . HOH   P 4 .   ? -14.653 4.303   24.682 1.00 24.99  ? 674 HOH   A O    1 
HETATM 6357 O  O    . HOH   P 4 .   ? -13.743 10.786  24.546 1.00 23.33  ? 675 HOH   A O    1 
HETATM 6358 O  O    . HOH   P 4 .   ? -27.439 24.309  2.409  1.00 39.12  ? 676 HOH   A O    1 
HETATM 6359 O  O    . HOH   P 4 .   ? -23.685 1.637   22.916 1.00 34.78  ? 677 HOH   A O    1 
HETATM 6360 O  O    . HOH   P 4 .   ? -9.667  22.358  16.515 1.00 48.51  ? 678 HOH   A O    1 
HETATM 6361 O  O    . HOH   P 4 .   ? -8.844  9.991   31.643 1.00 36.68  ? 679 HOH   A O    1 
HETATM 6362 O  O    . HOH   P 4 .   ? -14.583 19.044  36.949 1.00 40.28  ? 680 HOH   A O    1 
HETATM 6363 O  O    . HOH   P 4 .   ? -25.091 31.089  19.676 1.00 37.07  ? 681 HOH   A O    1 
HETATM 6364 O  O    . HOH   P 4 .   ? -17.108 4.565   31.522 1.00 42.07  ? 682 HOH   A O    1 
HETATM 6365 O  O    . HOH   P 4 .   ? -37.225 17.299  12.991 1.00 39.71  ? 683 HOH   A O    1 
HETATM 6366 O  O    . HOH   P 4 .   ? -34.762 4.736   20.211 1.00 24.39  ? 684 HOH   A O    1 
HETATM 6367 O  O    . HOH   P 4 .   ? -6.348  16.030  26.824 1.00 44.28  ? 685 HOH   A O    1 
HETATM 6368 O  O    . HOH   P 4 .   ? -12.825 16.754  36.143 1.00 84.33  ? 686 HOH   A O    1 
HETATM 6369 O  O    . HOH   P 4 .   ? -34.374 3.581   16.956 1.00 23.96  ? 687 HOH   A O    1 
HETATM 6370 O  O    . HOH   P 4 .   ? -13.835 5.431   15.084 1.00 31.37  ? 688 HOH   A O    1 
HETATM 6371 O  O    . HOH   P 4 .   ? -18.984 25.776  33.675 1.00 34.56  ? 689 HOH   A O    1 
HETATM 6372 O  O    . HOH   P 4 .   ? -35.127 21.873  -7.341 1.00 41.87  ? 690 HOH   A O    1 
HETATM 6373 O  O    . HOH   P 4 .   ? -8.868  8.992   8.577  1.00 24.68  ? 691 HOH   A O    1 
HETATM 6374 O  O    . HOH   P 4 .   ? -30.413 12.315  0.286  1.00 36.71  ? 692 HOH   A O    1 
HETATM 6375 O  O    . HOH   P 4 .   ? -9.598  24.245  29.640 1.00 51.57  ? 693 HOH   A O    1 
HETATM 6376 O  O    . HOH   P 4 .   ? -21.303 4.470   21.482 1.00 80.53  ? 694 HOH   A O    1 
HETATM 6377 O  O    . HOH   P 4 .   ? -21.062 16.172  33.089 1.00 31.10  ? 695 HOH   A O    1 
HETATM 6378 O  O    . HOH   P 4 .   ? -12.310 25.595  9.452  1.00 30.03  ? 696 HOH   A O    1 
HETATM 6379 O  O    . HOH   P 4 .   ? -16.725 23.986  27.917 1.00 19.41  ? 697 HOH   A O    1 
HETATM 6380 O  O    . HOH   P 4 .   ? -10.140 26.009  18.254 1.00 38.16  ? 698 HOH   A O    1 
HETATM 6381 O  O    . HOH   P 4 .   ? -37.423 19.496  -8.515 1.00 20.07  ? 699 HOH   A O    1 
HETATM 6382 O  O    . HOH   P 4 .   ? -24.530 25.150  8.752  1.00 33.95  ? 700 HOH   A O    1 
HETATM 6383 O  O    . HOH   P 4 .   ? -24.115 21.144  -4.869 1.00 33.46  ? 701 HOH   A O    1 
HETATM 6384 O  O    . HOH   P 4 .   ? -33.821 14.773  22.128 1.00 32.81  ? 702 HOH   A O    1 
HETATM 6385 O  O    . HOH   P 4 .   ? -10.747 19.259  35.703 1.00 38.84  ? 703 HOH   A O    1 
HETATM 6386 O  O    . HOH   P 4 .   ? -20.137 24.233  5.852  1.00 30.93  ? 704 HOH   A O    1 
HETATM 6387 O  O    . HOH   P 4 .   ? -27.359 23.094  29.408 1.00 36.93  ? 705 HOH   A O    1 
HETATM 6388 O  O    . HOH   P 4 .   ? -10.706 16.161  19.511 1.00 44.50  ? 706 HOH   A O    1 
HETATM 6389 O  O    . HOH   P 4 .   ? -34.917 6.512   28.782 1.00 103.07 ? 707 HOH   A O    1 
HETATM 6390 O  O    . HOH   P 4 .   ? -19.194 23.567  36.044 1.00 38.28  ? 708 HOH   A O    1 
HETATM 6391 O  O    . HOH   P 4 .   ? -6.235  15.305  24.007 1.00 39.69  ? 709 HOH   A O    1 
HETATM 6392 O  O    . HOH   P 4 .   ? -7.805  19.557  29.868 1.00 46.95  ? 710 HOH   A O    1 
HETATM 6393 O  O    . HOH   P 4 .   ? -39.395 11.927  11.201 1.00 53.85  ? 711 HOH   A O    1 
HETATM 6394 O  O    . HOH   P 4 .   ? -33.922 29.394  12.472 1.00 42.16  ? 712 HOH   A O    1 
HETATM 6395 O  O    . HOH   P 4 .   ? -36.290 20.595  -0.528 1.00 38.52  ? 713 HOH   A O    1 
HETATM 6396 O  O    . HOH   P 4 .   ? -12.685 3.599   16.095 1.00 33.80  ? 714 HOH   A O    1 
HETATM 6397 O  O    . HOH   P 4 .   ? -27.350 20.082  39.963 1.00 52.55  ? 715 HOH   A O    1 
HETATM 6398 O  O    . HOH   P 4 .   ? -34.640 19.528  13.886 1.00 33.69  ? 716 HOH   A O    1 
HETATM 6399 O  O    . HOH   P 4 .   ? -34.199 27.410  16.517 1.00 71.32  ? 717 HOH   A O    1 
HETATM 6400 O  O    . HOH   P 4 .   ? -39.155 12.470  13.236 1.00 53.84  ? 718 HOH   A O    1 
HETATM 6401 O  O    . HOH   P 4 .   ? -34.464 12.353  23.420 1.00 32.85  ? 719 HOH   A O    1 
HETATM 6402 O  O    . HOH   P 4 .   ? -39.115 10.737  19.564 1.00 49.84  ? 720 HOH   A O    1 
HETATM 6403 O  O    . HOH   P 4 .   ? -35.366 24.585  13.690 1.00 31.09  ? 721 HOH   A O    1 
HETATM 6404 O  O    . HOH   P 4 .   ? -33.595 4.754   22.605 1.00 26.57  ? 722 HOH   A O    1 
HETATM 6405 O  O    . HOH   P 4 .   ? -37.851 9.448   16.342 1.00 45.66  ? 723 HOH   A O    1 
HETATM 6406 O  O    . HOH   P 4 .   ? -30.914 25.881  18.261 1.00 59.88  ? 724 HOH   A O    1 
HETATM 6407 O  O    . HOH   P 4 .   ? -18.939 28.191  26.855 1.00 57.55  ? 725 HOH   A O    1 
HETATM 6408 O  O    . HOH   P 4 .   ? -37.029 8.145   23.533 1.00 35.49  ? 726 HOH   A O    1 
HETATM 6409 O  O    . HOH   P 4 .   ? -29.663 25.837  2.518  1.00 45.92  ? 727 HOH   A O    1 
HETATM 6410 O  O    . HOH   P 4 .   ? -8.460  19.221  22.168 1.00 40.22  ? 728 HOH   A O    1 
HETATM 6411 O  O    . HOH   P 4 .   ? -8.934  22.865  24.291 1.00 39.74  ? 729 HOH   A O    1 
HETATM 6412 O  O    . HOH   P 4 .   ? -27.374 27.175  25.283 1.00 41.32  ? 730 HOH   A O    1 
HETATM 6413 O  O    . HOH   P 4 .   ? -34.818 1.509   19.051 1.00 32.36  ? 731 HOH   A O    1 
HETATM 6414 O  O    . HOH   P 4 .   ? -38.385 13.410  26.893 1.00 28.37  ? 732 HOH   A O    1 
HETATM 6415 O  O    . HOH   P 4 .   ? -29.634 4.986   34.331 1.00 58.88  ? 733 HOH   A O    1 
HETATM 6416 O  O    . HOH   Q 4 .   ? -12.482 -17.697 13.867 1.00 36.78  ? 601 HOH   B O    1 
HETATM 6417 O  O    . HOH   Q 4 .   ? -29.883 -9.477  35.707 1.00 25.06  ? 602 HOH   B O    1 
HETATM 6418 O  O    . HOH   Q 4 .   ? -35.146 -1.621  21.878 1.00 30.00  ? 603 HOH   B O    1 
HETATM 6419 O  O    . HOH   Q 4 .   ? -16.768 -2.919  6.992  1.00 64.52  ? 604 HOH   B O    1 
HETATM 6420 O  O    . HOH   Q 4 .   ? -40.289 -14.226 22.149 1.00 46.78  ? 605 HOH   B O    1 
HETATM 6421 O  O    . HOH   Q 4 .   ? -27.633 -15.927 37.352 1.00 42.49  ? 606 HOH   B O    1 
HETATM 6422 O  O    . HOH   Q 4 .   ? -26.153 -13.229 3.484  1.00 27.58  ? 607 HOH   B O    1 
HETATM 6423 O  O    . HOH   Q 4 .   ? -34.602 -14.785 33.425 1.00 23.29  ? 608 HOH   B O    1 
HETATM 6424 O  O    . HOH   Q 4 .   ? -40.175 -8.320  29.403 1.00 38.59  ? 609 HOH   B O    1 
HETATM 6425 O  O    . HOH   Q 4 .   ? -31.494 -19.607 -0.543 1.00 31.21  ? 610 HOH   B O    1 
HETATM 6426 O  O    . HOH   Q 4 .   ? -24.775 -23.920 29.790 1.00 37.63  ? 611 HOH   B O    1 
HETATM 6427 O  O    . HOH   Q 4 .   ? -12.696 -17.653 24.709 1.00 36.23  ? 612 HOH   B O    1 
HETATM 6428 O  O    . HOH   Q 4 .   ? -42.030 -5.420  24.707 1.00 39.79  ? 613 HOH   B O    1 
HETATM 6429 O  O    . HOH   Q 4 .   ? -24.009 -19.751 31.165 1.00 44.58  ? 614 HOH   B O    1 
HETATM 6430 O  O    . HOH   Q 4 .   ? -24.160 -18.345 -0.845 1.00 41.08  ? 615 HOH   B O    1 
HETATM 6431 O  O    . HOH   Q 4 .   ? -17.664 -26.238 -7.614 1.00 47.11  ? 616 HOH   B O    1 
HETATM 6432 O  O    . HOH   Q 4 .   ? -39.163 -25.532 6.242  1.00 51.45  ? 617 HOH   B O    1 
HETATM 6433 O  O    . HOH   Q 4 .   ? -18.388 -14.404 1.930  1.00 20.83  ? 618 HOH   B O    1 
HETATM 6434 O  O    . HOH   Q 4 .   ? -16.433 -19.223 15.018 1.00 26.82  ? 619 HOH   B O    1 
HETATM 6435 O  O    . HOH   Q 4 .   ? -30.742 -24.860 18.106 1.00 47.59  ? 620 HOH   B O    1 
HETATM 6436 O  O    . HOH   Q 4 .   ? -22.295 -17.623 31.282 1.00 88.52  ? 621 HOH   B O    1 
HETATM 6437 O  O    . HOH   Q 4 .   ? -26.908 1.034   28.710 1.00 19.25  ? 622 HOH   B O    1 
HETATM 6438 O  O    . HOH   Q 4 .   ? -19.303 -21.779 25.717 1.00 25.59  ? 623 HOH   B O    1 
HETATM 6439 O  O    . HOH   Q 4 .   ? -42.014 -24.302 12.563 1.00 31.27  ? 624 HOH   B O    1 
HETATM 6440 O  O    . HOH   Q 4 .   ? -44.225 -10.519 19.788 1.00 31.77  ? 625 HOH   B O    1 
HETATM 6441 O  O    . HOH   Q 4 .   ? -41.249 -4.167  30.635 1.00 53.89  ? 626 HOH   B O    1 
HETATM 6442 O  O    . HOH   Q 4 .   ? -30.887 -9.211  31.624 1.00 20.46  ? 627 HOH   B O    1 
HETATM 6443 O  O    . HOH   Q 4 .   ? -42.100 -20.007 12.238 1.00 25.27  ? 628 HOH   B O    1 
HETATM 6444 O  O    . HOH   Q 4 .   ? -30.573 -19.204 25.145 1.00 19.74  ? 629 HOH   B O    1 
HETATM 6445 O  O    . HOH   Q 4 .   ? -19.025 -24.318 22.485 1.00 38.02  ? 630 HOH   B O    1 
HETATM 6446 O  O    . HOH   Q 4 .   ? -29.657 -0.348  14.500 1.00 23.58  ? 631 HOH   B O    1 
HETATM 6447 O  O    . HOH   Q 4 .   ? -42.691 -12.534 15.570 1.00 25.51  ? 632 HOH   B O    1 
HETATM 6448 O  O    . HOH   Q 4 .   ? -17.693 -25.937 9.109  1.00 42.45  ? 633 HOH   B O    1 
HETATM 6449 O  O    . HOH   Q 4 .   ? -39.818 -3.592  16.401 1.00 37.60  ? 634 HOH   B O    1 
HETATM 6450 O  O    . HOH   Q 4 .   ? -19.251 -8.378  8.186  1.00 18.21  ? 635 HOH   B O    1 
HETATM 6451 O  O    . HOH   Q 4 .   ? -26.592 -0.689  34.188 1.00 37.00  ? 636 HOH   B O    1 
HETATM 6452 O  O    . HOH   Q 4 .   ? -13.156 -9.125  19.299 1.00 19.76  ? 637 HOH   B O    1 
HETATM 6453 O  O    . HOH   Q 4 .   ? -30.279 -18.899 31.624 1.00 25.74  ? 638 HOH   B O    1 
HETATM 6454 O  O    . HOH   Q 4 .   ? -35.143 -4.154  14.683 1.00 36.50  ? 639 HOH   B O    1 
HETATM 6455 O  O    . HOH   Q 4 .   ? -26.516 0.750   20.909 1.00 22.25  ? 640 HOH   B O    1 
HETATM 6456 O  O    . HOH   Q 4 .   ? -17.678 -19.254 10.898 1.00 13.04  ? 641 HOH   B O    1 
HETATM 6457 O  O    . HOH   Q 4 .   ? -16.125 -20.192 22.258 1.00 20.62  ? 642 HOH   B O    1 
HETATM 6458 O  O    . HOH   Q 4 .   ? -18.731 -2.301  25.054 1.00 33.80  ? 643 HOH   B O    1 
HETATM 6459 O  O    . HOH   Q 4 .   ? -16.615 -6.497  18.037 1.00 29.76  ? 644 HOH   B O    1 
HETATM 6460 O  O    . HOH   Q 4 .   ? -35.854 2.487   26.975 1.00 32.90  ? 645 HOH   B O    1 
HETATM 6461 O  O    . HOH   Q 4 .   ? -20.166 -1.150  22.593 1.00 36.50  ? 646 HOH   B O    1 
HETATM 6462 O  O    . HOH   Q 4 .   ? -16.483 -24.916 1.717  1.00 36.60  ? 647 HOH   B O    1 
HETATM 6463 O  O    . HOH   Q 4 .   ? -14.492 -10.013 27.929 1.00 20.04  ? 648 HOH   B O    1 
HETATM 6464 O  O    . HOH   Q 4 .   ? -10.219 -17.396 15.327 1.00 48.69  ? 649 HOH   B O    1 
HETATM 6465 O  O    . HOH   Q 4 .   ? -25.681 -21.083 15.417 1.00 21.91  ? 650 HOH   B O    1 
HETATM 6466 O  O    . HOH   Q 4 .   ? -38.619 -12.805 29.150 1.00 40.40  ? 651 HOH   B O    1 
HETATM 6467 O  O    . HOH   Q 4 .   ? -31.293 -26.599 13.007 1.00 34.49  ? 652 HOH   B O    1 
HETATM 6468 O  O    . HOH   Q 4 .   ? -13.850 -12.976 22.664 1.00 20.98  ? 653 HOH   B O    1 
HETATM 6469 O  O    . HOH   Q 4 .   ? -20.156 -31.038 2.689  1.00 42.79  ? 654 HOH   B O    1 
HETATM 6470 O  O    . HOH   Q 4 .   ? -33.673 -6.146  37.079 1.00 30.60  ? 655 HOH   B O    1 
HETATM 6471 O  O    . HOH   Q 4 .   ? -26.129 2.748   8.009  1.00 41.23  ? 656 HOH   B O    1 
HETATM 6472 O  O    . HOH   Q 4 .   ? -21.472 1.285   24.689 1.00 26.54  ? 657 HOH   B O    1 
HETATM 6473 O  O    . HOH   Q 4 .   ? -23.766 -24.413 17.922 1.00 28.15  ? 658 HOH   B O    1 
HETATM 6474 O  O    . HOH   Q 4 .   ? -23.150 1.380   15.004 1.00 35.96  ? 659 HOH   B O    1 
HETATM 6475 O  O    . HOH   Q 4 .   ? -10.479 -7.125  24.506 1.00 22.15  ? 660 HOH   B O    1 
HETATM 6476 O  O    . HOH   Q 4 .   ? -26.642 -25.077 -7.328 1.00 27.88  ? 661 HOH   B O    1 
HETATM 6477 O  O    . HOH   Q 4 .   ? -23.378 0.992   20.423 1.00 38.77  ? 662 HOH   B O    1 
HETATM 6478 O  O    . HOH   Q 4 .   ? -19.256 -17.575 24.896 1.00 18.93  ? 663 HOH   B O    1 
HETATM 6479 O  O    . HOH   Q 4 .   ? -41.235 -7.400  9.503  1.00 30.63  ? 664 HOH   B O    1 
HETATM 6480 O  O    . HOH   Q 4 .   ? -14.934 -21.900 11.932 1.00 51.18  ? 665 HOH   B O    1 
HETATM 6481 O  O    . HOH   Q 4 .   ? -23.155 1.656   6.127  1.00 47.03  ? 666 HOH   B O    1 
HETATM 6482 O  O    . HOH   Q 4 .   ? -33.825 -27.898 11.596 1.00 38.37  ? 667 HOH   B O    1 
HETATM 6483 O  O    . HOH   Q 4 .   ? -18.295 -21.865 14.461 1.00 25.79  ? 668 HOH   B O    1 
HETATM 6484 O  O    . HOH   Q 4 .   ? -27.115 -1.617  15.053 1.00 22.76  ? 669 HOH   B O    1 
HETATM 6485 O  O    . HOH   Q 4 .   ? -20.874 -20.315 22.072 1.00 33.77  ? 670 HOH   B O    1 
HETATM 6486 O  O    . HOH   Q 4 .   ? -42.438 -19.907 16.635 1.00 34.67  ? 671 HOH   B O    1 
HETATM 6487 O  O    . HOH   Q 4 .   ? -11.111 -15.314 16.774 1.00 21.64  ? 672 HOH   B O    1 
HETATM 6488 O  O    . HOH   Q 4 .   ? -11.977 -16.373 20.087 1.00 21.85  ? 673 HOH   B O    1 
HETATM 6489 O  O    . HOH   Q 4 .   ? -23.570 -15.590 32.392 1.00 32.52  ? 674 HOH   B O    1 
HETATM 6490 O  O    . HOH   Q 4 .   ? -32.747 -21.588 15.968 1.00 20.18  ? 675 HOH   B O    1 
HETATM 6491 O  O    . HOH   Q 4 .   ? -28.212 -11.661 4.601  1.00 23.21  ? 676 HOH   B O    1 
HETATM 6492 O  O    . HOH   Q 4 .   ? -13.854 -27.655 1.552  1.00 66.77  ? 677 HOH   B O    1 
HETATM 6493 O  O    . HOH   Q 4 .   ? -14.715 -5.208  22.936 1.00 28.88  ? 678 HOH   B O    1 
HETATM 6494 O  O    . HOH   Q 4 .   ? -25.646 0.765   13.844 1.00 20.78  ? 679 HOH   B O    1 
HETATM 6495 O  O    . HOH   Q 4 .   ? -22.349 -22.522 16.335 1.00 41.83  ? 680 HOH   B O    1 
HETATM 6496 O  O    . HOH   Q 4 .   ? -22.057 -24.668 12.578 1.00 39.21  ? 681 HOH   B O    1 
HETATM 6497 O  O    . HOH   Q 4 .   ? -37.851 -2.377  24.761 1.00 37.21  ? 682 HOH   B O    1 
HETATM 6498 O  O    . HOH   Q 4 .   ? -31.637 -15.196 -4.804 1.00 34.55  ? 683 HOH   B O    1 
HETATM 6499 O  O    . HOH   Q 4 .   ? -28.347 -10.269 33.064 1.00 25.21  ? 684 HOH   B O    1 
HETATM 6500 O  O    . HOH   Q 4 .   ? -37.576 -10.382 27.868 1.00 25.38  ? 685 HOH   B O    1 
HETATM 6501 O  O    . HOH   Q 4 .   ? -29.500 -22.294 -2.842 1.00 27.89  ? 686 HOH   B O    1 
HETATM 6502 O  O    . HOH   Q 4 .   ? -37.688 -15.782 32.299 1.00 43.60  ? 687 HOH   B O    1 
HETATM 6503 O  O    . HOH   Q 4 .   ? -31.488 -23.171 3.239  1.00 42.39  ? 688 HOH   B O    1 
HETATM 6504 O  O    . HOH   Q 4 .   ? -22.365 -11.430 30.991 1.00 28.73  ? 689 HOH   B O    1 
HETATM 6505 O  O    . HOH   Q 4 .   ? -33.506 -2.149  13.301 1.00 22.72  ? 690 HOH   B O    1 
HETATM 6506 O  O    . HOH   Q 4 .   ? -35.738 -2.894  18.007 1.00 46.50  ? 691 HOH   B O    1 
HETATM 6507 O  O    . HOH   Q 4 .   ? -39.531 -20.972 19.743 1.00 40.34  ? 692 HOH   B O    1 
HETATM 6508 O  O    . HOH   Q 4 .   ? -42.561 -5.549  18.252 1.00 34.31  ? 693 HOH   B O    1 
HETATM 6509 O  O    . HOH   Q 4 .   ? -24.596 -25.160 3.476  1.00 51.20  ? 694 HOH   B O    1 
HETATM 6510 O  O    . HOH   Q 4 .   ? -18.476 1.863   14.262 1.00 59.95  ? 695 HOH   B O    1 
HETATM 6511 O  O    . HOH   Q 4 .   ? -38.168 -13.529 33.402 1.00 44.24  ? 696 HOH   B O    1 
HETATM 6512 O  O    . HOH   Q 4 .   ? -15.714 -19.052 12.634 1.00 26.45  ? 697 HOH   B O    1 
HETATM 6513 O  O    . HOH   Q 4 .   ? -28.505 4.160   8.625  1.00 23.14  ? 698 HOH   B O    1 
HETATM 6514 O  O    . HOH   Q 4 .   ? -36.254 -12.657 5.771  1.00 33.06  ? 699 HOH   B O    1 
HETATM 6515 O  O    . HOH   Q 4 .   ? -21.078 -6.342  31.350 1.00 31.70  ? 700 HOH   B O    1 
HETATM 6516 O  O    . HOH   Q 4 .   ? -27.873 1.122   31.561 1.00 36.96  ? 701 HOH   B O    1 
HETATM 6517 O  O    . HOH   Q 4 .   ? -43.613 -17.592 20.002 1.00 44.85  ? 702 HOH   B O    1 
HETATM 6518 O  O    . HOH   Q 4 .   ? -32.104 0.011   8.902  1.00 41.09  ? 703 HOH   B O    1 
HETATM 6519 O  O    . HOH   Q 4 .   ? -33.535 -3.499  35.992 1.00 47.82  ? 704 HOH   B O    1 
HETATM 6520 O  O    . HOH   Q 4 .   ? -31.352 -19.188 29.285 1.00 21.19  ? 705 HOH   B O    1 
HETATM 6521 O  O    . HOH   Q 4 .   ? -26.218 -29.025 21.453 1.00 46.02  ? 706 HOH   B O    1 
HETATM 6522 O  O    . HOH   Q 4 .   ? -19.146 -25.915 11.526 1.00 72.57  ? 707 HOH   B O    1 
HETATM 6523 O  O    . HOH   Q 4 .   ? -32.567 -20.246 2.277  1.00 45.39  ? 708 HOH   B O    1 
HETATM 6524 O  O    . HOH   Q 4 .   ? -17.193 -24.251 12.581 1.00 37.42  ? 709 HOH   B O    1 
HETATM 6525 O  O    . HOH   Q 4 .   ? -13.355 -17.495 28.580 1.00 42.29  ? 710 HOH   B O    1 
HETATM 6526 O  O    . HOH   Q 4 .   ? -24.897 -25.200 -0.787 1.00 39.54  ? 711 HOH   B O    1 
HETATM 6527 O  O    . HOH   Q 4 .   ? -19.698 3.471   15.268 1.00 56.58  ? 712 HOH   B O    1 
HETATM 6528 O  O    . HOH   Q 4 .   ? -36.203 -2.587  35.687 1.00 38.11  ? 713 HOH   B O    1 
HETATM 6529 O  O    . HOH   Q 4 .   ? -34.736 -17.610 8.541  1.00 36.17  ? 714 HOH   B O    1 
HETATM 6530 O  O    . HOH   Q 4 .   ? -15.714 -23.823 11.030 1.00 44.67  ? 715 HOH   B O    1 
HETATM 6531 O  O    . HOH   Q 4 .   ? -43.299 -7.896  12.804 1.00 46.42  ? 716 HOH   B O    1 
HETATM 6532 O  O    . HOH   Q 4 .   ? -35.175 -16.480 35.527 1.00 52.51  ? 717 HOH   B O    1 
HETATM 6533 O  O    . HOH   Q 4 .   ? -38.532 -0.677  29.948 1.00 40.67  ? 718 HOH   B O    1 
HETATM 6534 O  O    . HOH   Q 4 .   ? -23.871 -27.095 -3.820 1.00 43.93  ? 719 HOH   B O    1 
HETATM 6535 O  O    . HOH   Q 4 .   ? -33.885 -1.083  19.587 1.00 41.33  ? 720 HOH   B O    1 
HETATM 6536 O  O    . HOH   Q 4 .   ? -35.269 3.439   24.131 1.00 41.27  ? 721 HOH   B O    1 
HETATM 6537 O  O    . HOH   Q 4 .   ? -24.794 -23.495 13.724 1.00 33.39  ? 722 HOH   B O    1 
HETATM 6538 O  O    . HOH   Q 4 .   ? -23.815 3.982   31.441 1.00 41.84  ? 723 HOH   B O    1 
HETATM 6539 O  O    . HOH   Q 4 .   ? -42.786 -13.312 22.845 1.00 43.15  ? 724 HOH   B O    1 
HETATM 6540 O  O    . HOH   Q 4 .   ? -29.121 -26.526 13.445 1.00 30.29  ? 725 HOH   B O    1 
HETATM 6541 O  O    . HOH   Q 4 .   ? -22.068 3.470   15.764 1.00 34.67  ? 726 HOH   B O    1 
HETATM 6542 O  O    . HOH   Q 4 .   ? -18.815 -20.010 23.348 1.00 32.78  ? 727 HOH   B O    1 
HETATM 6543 O  O    . HOH   Q 4 .   ? -12.414 -15.442 22.525 1.00 29.21  ? 728 HOH   B O    1 
HETATM 6544 O  O    . HOH   Q 4 .   ? -29.330 -21.151 32.745 1.00 36.06  ? 729 HOH   B O    1 
HETATM 6545 O  O    . HOH   Q 4 .   ? -42.581 -18.748 25.408 1.00 40.53  ? 730 HOH   B O    1 
HETATM 6546 O  O    . HOH   Q 4 .   ? -14.457 -21.236 16.257 1.00 31.77  ? 731 HOH   B O    1 
HETATM 6547 O  O    . HOH   Q 4 .   ? -15.768 -24.929 4.075  1.00 39.73  ? 732 HOH   B O    1 
HETATM 6548 O  O    . HOH   Q 4 .   ? -32.187 -23.253 18.063 1.00 43.69  ? 733 HOH   B O    1 
HETATM 6549 O  O    . HOH   Q 4 .   ? -13.712 -20.009 23.419 1.00 36.19  ? 734 HOH   B O    1 
HETATM 6550 O  O    . HOH   Q 4 .   ? -15.861 -24.171 -3.992 1.00 42.45  ? 735 HOH   B O    1 
HETATM 6551 O  O    . HOH   Q 4 .   ? -40.487 -1.356  30.370 1.00 43.17  ? 736 HOH   B O    1 
HETATM 6552 O  O    . HOH   Q 4 .   ? -34.567 -21.117 25.968 1.00 37.46  ? 737 HOH   B O    1 
HETATM 6553 O  O    . HOH   Q 4 .   ? -36.004 -17.249 6.671  1.00 49.13  ? 738 HOH   B O    1 
HETATM 6554 O  O    . HOH   Q 4 .   ? -21.506 -13.706 32.013 1.00 39.71  ? 739 HOH   B O    1 
HETATM 6555 O  O    . HOH   Q 4 .   ? -37.759 -0.597  22.409 1.00 35.40  ? 740 HOH   B O    1 
HETATM 6556 O  O    . HOH   Q 4 .   ? -22.566 -20.246 32.979 1.00 48.36  ? 741 HOH   B O    1 
HETATM 6557 O  O    . HOH   Q 4 .   ? -9.150  -14.751 19.167 1.00 36.08  ? 742 HOH   B O    1 
HETATM 6558 O  O    . HOH   Q 4 .   ? -37.345 2.354   22.946 1.00 52.81  ? 743 HOH   B O    1 
HETATM 6559 O  O    . HOH   Q 4 .   ? -40.618 -2.875  24.398 1.00 50.47  ? 744 HOH   B O    1 
HETATM 6560 O  O    . HOH   Q 4 .   ? -17.658 -23.918 26.507 1.00 31.89  ? 745 HOH   B O    1 
HETATM 6561 O  O    . HOH   R 4 .   ? 16.283  -4.692  6.234  1.00 42.29  ? 601 HOH   C O    1 
HETATM 6562 O  O    . HOH   R 4 .   ? -6.317  -13.413 21.957 1.00 27.92  ? 602 HOH   C O    1 
HETATM 6563 O  O    . HOH   R 4 .   ? -1.515  -12.333 35.949 1.00 49.01  ? 603 HOH   C O    1 
HETATM 6564 O  O    . HOH   R 4 .   ? -0.730  0.161   3.582  1.00 27.21  ? 604 HOH   C O    1 
HETATM 6565 O  O    . HOH   R 4 .   ? 7.513   -1.173  -0.659 1.00 31.82  ? 605 HOH   C O    1 
HETATM 6566 O  O    . HOH   R 4 .   ? -3.665  14.114  14.196 1.00 34.75  ? 606 HOH   C O    1 
HETATM 6567 O  O    . HOH   R 4 .   ? -1.985  -16.325 16.795 1.00 42.86  ? 607 HOH   C O    1 
HETATM 6568 O  O    . HOH   R 4 .   ? 5.303   11.933  22.459 1.00 33.38  ? 608 HOH   C O    1 
HETATM 6569 O  O    . HOH   R 4 .   ? -12.552 -7.703  28.686 1.00 19.42  ? 609 HOH   C O    1 
HETATM 6570 O  O    . HOH   R 4 .   ? 7.869   7.783   18.190 1.00 34.94  ? 610 HOH   C O    1 
HETATM 6571 O  O    . HOH   R 4 .   ? 7.202   -14.389 15.767 1.00 28.98  ? 611 HOH   C O    1 
HETATM 6572 O  O    . HOH   R 4 .   ? 5.133   -6.536  33.398 1.00 31.41  ? 612 HOH   C O    1 
HETATM 6573 O  O    . HOH   R 4 .   ? 7.040   -0.678  25.500 1.00 29.79  ? 613 HOH   C O    1 
HETATM 6574 O  O    . HOH   R 4 .   ? 1.676   -9.858  37.531 1.00 34.34  ? 614 HOH   C O    1 
HETATM 6575 O  O    . HOH   R 4 .   ? 0.300   10.551  10.878 1.00 15.31  ? 615 HOH   C O    1 
HETATM 6576 O  O    . HOH   R 4 .   ? -8.266  3.843   8.234  1.00 15.73  ? 616 HOH   C O    1 
HETATM 6577 O  O    . HOH   R 4 .   ? 16.938  -8.035  12.653 1.00 24.21  ? 617 HOH   C O    1 
HETATM 6578 O  O    . HOH   R 4 .   ? 6.050   -16.888 19.851 1.00 31.77  ? 618 HOH   C O    1 
HETATM 6579 O  O    . HOH   R 4 .   ? 13.287  -10.715 16.667 1.00 33.83  ? 619 HOH   C O    1 
HETATM 6580 O  O    . HOH   R 4 .   ? -1.814  -5.875  31.566 1.00 26.43  ? 620 HOH   C O    1 
HETATM 6581 O  O    . HOH   R 4 .   ? 6.332   -0.575  31.613 1.00 33.97  ? 621 HOH   C O    1 
HETATM 6582 O  O    . HOH   R 4 .   ? -10.607 9.301   19.287 1.00 23.84  ? 622 HOH   C O    1 
HETATM 6583 O  O    . HOH   R 4 .   ? -0.420  11.746  15.143 1.00 24.45  ? 623 HOH   C O    1 
HETATM 6584 O  O    . HOH   R 4 .   ? 3.337   10.409  25.651 1.00 27.44  ? 624 HOH   C O    1 
HETATM 6585 O  O    . HOH   R 4 .   ? 1.384   6.019   31.759 1.00 41.43  ? 625 HOH   C O    1 
HETATM 6586 O  O    . HOH   R 4 .   ? 13.438  2.379   13.483 1.00 33.59  ? 626 HOH   C O    1 
HETATM 6587 O  O    . HOH   R 4 .   ? 11.043  7.849   6.553  1.00 40.02  ? 627 HOH   C O    1 
HETATM 6588 O  O    . HOH   R 4 .   ? -12.500 -7.146  20.857 1.00 19.58  ? 628 HOH   C O    1 
HETATM 6589 O  O    . HOH   R 4 .   ? 0.394   12.198  22.280 1.00 22.90  ? 629 HOH   C O    1 
HETATM 6590 O  O    . HOH   R 4 .   ? -13.272 6.172   22.890 1.00 31.64  ? 630 HOH   C O    1 
HETATM 6591 O  O    . HOH   R 4 .   ? -10.046 -9.280  14.569 1.00 28.87  ? 631 HOH   C O    1 
HETATM 6592 O  O    . HOH   R 4 .   ? 7.087   9.687   12.596 1.00 44.79  ? 632 HOH   C O    1 
HETATM 6593 O  O    . HOH   R 4 .   ? 1.418   14.106  11.975 1.00 44.37  ? 633 HOH   C O    1 
HETATM 6594 O  O    . HOH   R 4 .   ? -3.529  7.516   1.856  1.00 19.53  ? 634 HOH   C O    1 
HETATM 6595 O  O    . HOH   R 4 .   ? 6.531   14.306  -7.610 1.00 56.05  ? 635 HOH   C O    1 
HETATM 6596 O  O    . HOH   R 4 .   ? -5.065  -5.485  34.919 1.00 38.18  ? 636 HOH   C O    1 
HETATM 6597 O  O    . HOH   R 4 .   ? -15.390 -3.290  24.624 1.00 26.92  ? 637 HOH   C O    1 
HETATM 6598 O  O    . HOH   R 4 .   ? 12.584  -7.516  19.748 1.00 37.52  ? 638 HOH   C O    1 
HETATM 6599 O  O    . HOH   R 4 .   ? -3.292  13.844  24.418 1.00 41.19  ? 639 HOH   C O    1 
HETATM 6600 O  O    . HOH   R 4 .   ? -13.543 1.352   24.691 1.00 36.73  ? 640 HOH   C O    1 
HETATM 6601 O  O    . HOH   R 4 .   ? 0.319   3.649   32.203 1.00 37.64  ? 641 HOH   C O    1 
HETATM 6602 O  O    . HOH   R 4 .   ? 3.641   12.621  -5.395 1.00 27.53  ? 642 HOH   C O    1 
HETATM 6603 O  O    . HOH   R 4 .   ? -4.048  -15.353 24.577 1.00 34.42  ? 643 HOH   C O    1 
HETATM 6604 O  O    . HOH   R 4 .   ? -0.942  12.359  12.601 1.00 26.87  ? 644 HOH   C O    1 
HETATM 6605 O  O    . HOH   R 4 .   ? -8.654  13.511  10.048 1.00 47.58  ? 645 HOH   C O    1 
HETATM 6606 O  O    . HOH   R 4 .   ? -9.365  8.659   28.023 1.00 22.49  ? 646 HOH   C O    1 
HETATM 6607 O  O    . HOH   R 4 .   ? 13.085  -10.307 12.253 1.00 59.40  ? 647 HOH   C O    1 
HETATM 6608 O  O    . HOH   R 4 .   ? -9.575  -11.240 8.891  1.00 45.10  ? 648 HOH   C O    1 
HETATM 6609 O  O    . HOH   R 4 .   ? 2.940   8.298   22.009 1.00 57.34  ? 649 HOH   C O    1 
HETATM 6610 O  O    . HOH   R 4 .   ? -13.530 -11.128 31.549 1.00 34.99  ? 650 HOH   C O    1 
HETATM 6611 O  O    . HOH   R 4 .   ? -14.770 -4.813  5.873  1.00 48.96  ? 651 HOH   C O    1 
HETATM 6612 O  O    . HOH   R 4 .   ? 4.893   17.215  -0.542 1.00 41.09  ? 652 HOH   C O    1 
HETATM 6613 O  O    . HOH   R 4 .   ? 9.860   -1.371  15.954 1.00 22.03  ? 653 HOH   C O    1 
HETATM 6614 O  O    . HOH   R 4 .   ? -11.622 3.134   20.218 1.00 88.11  ? 654 HOH   C O    1 
HETATM 6615 O  O    . HOH   R 4 .   ? -14.386 -4.574  20.297 1.00 28.85  ? 655 HOH   C O    1 
HETATM 6616 O  O    . HOH   R 4 .   ? -11.285 5.077   18.199 1.00 30.45  ? 656 HOH   C O    1 
HETATM 6617 O  O    . HOH   R 4 .   ? 8.134   -2.170  2.659  1.00 45.46  ? 657 HOH   C O    1 
HETATM 6618 O  O    . HOH   R 4 .   ? -6.935  10.811  22.657 1.00 19.81  ? 658 HOH   C O    1 
HETATM 6619 O  O    . HOH   R 4 .   ? -4.182  -11.924 14.248 1.00 37.52  ? 659 HOH   C O    1 
HETATM 6620 O  O    . HOH   R 4 .   ? -9.386  -16.179 26.522 1.00 31.61  ? 660 HOH   C O    1 
HETATM 6621 O  O    . HOH   R 4 .   ? 10.976  -14.244 19.236 1.00 91.26  ? 661 HOH   C O    1 
HETATM 6622 O  O    . HOH   R 4 .   ? -0.924  -2.086  4.603  1.00 25.24  ? 662 HOH   C O    1 
HETATM 6623 O  O    . HOH   R 4 .   ? 5.492   8.306   16.338 1.00 29.03  ? 663 HOH   C O    1 
HETATM 6624 O  O    . HOH   R 4 .   ? 5.921   4.598   15.447 1.00 26.24  ? 664 HOH   C O    1 
HETATM 6625 O  O    . HOH   R 4 .   ? -10.348 -6.510  15.000 1.00 21.98  ? 665 HOH   C O    1 
HETATM 6626 O  O    . HOH   R 4 .   ? -4.985  14.044  20.065 1.00 22.56  ? 666 HOH   C O    1 
HETATM 6627 O  O    . HOH   R 4 .   ? -14.292 -1.340  31.625 1.00 39.18  ? 667 HOH   C O    1 
HETATM 6628 O  O    . HOH   R 4 .   ? -1.056  6.356   0.349  1.00 29.13  ? 668 HOH   C O    1 
HETATM 6629 O  O    . HOH   R 4 .   ? -6.370  -11.663 13.292 1.00 23.27  ? 669 HOH   C O    1 
HETATM 6630 O  O    . HOH   R 4 .   ? 9.858   5.758   -7.316 1.00 36.98  ? 670 HOH   C O    1 
HETATM 6631 O  O    . HOH   R 4 .   ? -2.001  -3.344  32.922 1.00 36.96  ? 671 HOH   C O    1 
HETATM 6632 O  O    . HOH   R 4 .   ? 3.065   11.408  14.331 1.00 31.29  ? 672 HOH   C O    1 
HETATM 6633 O  O    . HOH   R 4 .   ? 3.680   -3.398  -4.817 1.00 36.14  ? 673 HOH   C O    1 
HETATM 6634 O  O    . HOH   R 4 .   ? -12.999 -6.335  13.895 1.00 21.95  ? 674 HOH   C O    1 
HETATM 6635 O  O    . HOH   R 4 .   ? -4.206  2.643   30.936 1.00 32.99  ? 675 HOH   C O    1 
HETATM 6636 O  O    . HOH   R 4 .   ? 8.897   1.931   -2.802 1.00 31.18  ? 676 HOH   C O    1 
HETATM 6637 O  O    . HOH   R 4 .   ? 4.074   5.387   31.525 1.00 45.39  ? 677 HOH   C O    1 
HETATM 6638 O  O    . HOH   R 4 .   ? -15.006 -4.535  15.013 1.00 39.95  ? 678 HOH   C O    1 
HETATM 6639 O  O    . HOH   R 4 .   ? 4.230   13.302  12.875 1.00 40.11  ? 679 HOH   C O    1 
HETATM 6640 O  O    . HOH   R 4 .   ? -0.095  8.336   24.757 1.00 25.12  ? 680 HOH   C O    1 
HETATM 6641 O  O    . HOH   R 4 .   ? -4.826  -13.275 18.037 1.00 36.37  ? 681 HOH   C O    1 
HETATM 6642 O  O    . HOH   R 4 .   ? 4.792   -9.445  35.287 1.00 60.45  ? 682 HOH   C O    1 
HETATM 6643 O  O    . HOH   R 4 .   ? -6.277  14.356  16.878 1.00 22.27  ? 683 HOH   C O    1 
HETATM 6644 O  O    . HOH   R 4 .   ? -18.254 -2.572  15.344 1.00 48.18  ? 684 HOH   C O    1 
HETATM 6645 O  O    . HOH   R 4 .   ? 2.575   -11.216 27.961 1.00 24.29  ? 685 HOH   C O    1 
HETATM 6646 O  O    . HOH   R 4 .   ? -13.996 -0.168  22.609 1.00 42.96  ? 686 HOH   C O    1 
HETATM 6647 O  O    . HOH   R 4 .   ? -2.684  6.982   31.319 1.00 39.67  ? 687 HOH   C O    1 
HETATM 6648 O  O    . HOH   R 4 .   ? -5.290  -11.260 35.942 1.00 48.74  ? 688 HOH   C O    1 
HETATM 6649 O  O    . HOH   R 4 .   ? -7.176  -12.455 19.561 1.00 34.61  ? 689 HOH   C O    1 
HETATM 6650 O  O    . HOH   R 4 .   ? 6.667   -6.014  36.037 1.00 59.29  ? 690 HOH   C O    1 
HETATM 6651 O  O    . HOH   R 4 .   ? 9.377   -10.675 5.977  1.00 78.11  ? 691 HOH   C O    1 
HETATM 6652 O  O    . HOH   R 4 .   ? -12.393 -8.852  31.322 1.00 37.25  ? 692 HOH   C O    1 
HETATM 6653 O  O    . HOH   R 4 .   ? -4.670  -13.673 35.765 1.00 46.67  ? 693 HOH   C O    1 
HETATM 6654 O  O    . HOH   R 4 .   ? -4.253  -13.445 15.780 1.00 35.42  ? 694 HOH   C O    1 
HETATM 6655 O  O    . HOH   R 4 .   ? 10.581  14.189  -8.754 1.00 57.47  ? 695 HOH   C O    1 
HETATM 6656 O  O    . HOH   R 4 .   ? -10.329 -16.072 24.111 1.00 36.94  ? 696 HOH   C O    1 
HETATM 6657 O  O    . HOH   R 4 .   ? -3.288  13.663  28.665 1.00 37.55  ? 697 HOH   C O    1 
HETATM 6658 O  O    . HOH   R 4 .   ? 7.519   -4.995  8.310  1.00 45.95  ? 698 HOH   C O    1 
HETATM 6659 O  O    . HOH   R 4 .   ? 7.692   6.725   13.681 1.00 44.55  ? 699 HOH   C O    1 
HETATM 6660 O  O    . HOH   R 4 .   ? 11.748  1.612   1.882  1.00 38.52  ? 700 HOH   C O    1 
HETATM 6661 O  O    . HOH   R 4 .   ? -9.591  -2.887  34.112 1.00 65.93  ? 701 HOH   C O    1 
HETATM 6662 O  O    . HOH   R 4 .   ? 4.365   14.801  3.511  1.00 49.22  ? 702 HOH   C O    1 
HETATM 6663 O  O    . HOH   R 4 .   ? 15.441  1.305   13.000 1.00 51.92  ? 703 HOH   C O    1 
HETATM 6664 O  O    . HOH   R 4 .   ? -17.188 -4.740  15.734 1.00 42.67  ? 704 HOH   C O    1 
HETATM 6665 O  O    . HOH   R 4 .   ? 1.474   9.961   23.437 1.00 31.07  ? 705 HOH   C O    1 
HETATM 6666 O  O    . HOH   R 4 .   ? 12.292  4.641   13.494 1.00 34.11  ? 706 HOH   C O    1 
HETATM 6667 O  O    . HOH   R 4 .   ? -16.845 -6.219  31.411 1.00 39.52  ? 707 HOH   C O    1 
HETATM 6668 O  O    . HOH   R 4 .   ? -5.330  13.039  22.507 1.00 28.60  ? 708 HOH   C O    1 
HETATM 6669 O  O    . HOH   R 4 .   ? 10.088  -0.689  2.517  1.00 58.33  ? 709 HOH   C O    1 
HETATM 6670 O  O    . HOH   R 4 .   ? -0.677  16.036  5.420  1.00 73.65  ? 710 HOH   C O    1 
HETATM 6671 O  O    . HOH   R 4 .   ? 2.160   16.156  4.846  1.00 48.22  ? 711 HOH   C O    1 
HETATM 6672 O  O    . HOH   R 4 .   ? 6.749   10.000  15.057 1.00 44.40  ? 712 HOH   C O    1 
HETATM 6673 O  O    . HOH   R 4 .   ? 0.385   14.104  16.341 1.00 34.24  ? 713 HOH   C O    1 
HETATM 6674 O  O    . HOH   R 4 .   ? -11.223 5.234   31.262 1.00 46.71  ? 714 HOH   C O    1 
HETATM 6675 O  O    . HOH   R 4 .   ? 11.852  -16.305 18.896 1.00 55.06  ? 715 HOH   C O    1 
HETATM 6676 O  O    . HOH   R 4 .   ? 8.176   -10.256 31.073 1.00 44.97  ? 716 HOH   C O    1 
HETATM 6677 O  O    . HOH   R 4 .   ? 3.671   14.507  -3.715 1.00 54.61  ? 717 HOH   C O    1 
HETATM 6678 O  O    . HOH   R 4 .   ? -5.945  -16.010 22.622 1.00 38.18  ? 718 HOH   C O    1 
HETATM 6679 O  O    . HOH   R 4 .   ? 9.972   -16.914 21.925 1.00 41.30  ? 719 HOH   C O    1 
HETATM 6680 O  O    . HOH   R 4 .   ? -1.101  14.393  23.572 1.00 36.58  ? 720 HOH   C O    1 
HETATM 6681 O  O    . HOH   R 4 .   ? -4.521  -16.060 18.005 1.00 48.82  ? 721 HOH   C O    1 
HETATM 6682 O  O    . HOH   R 4 .   ? 1.535   -18.110 13.129 1.00 50.89  ? 722 HOH   C O    1 
HETATM 6683 O  O    . HOH   R 4 .   ? 3.193   13.797  21.727 1.00 80.25  ? 723 HOH   C O    1 
HETATM 6684 O  O    . HOH   R 4 .   ? -2.464  -17.627 24.587 1.00 42.29  ? 724 HOH   C O    1 
HETATM 6685 O  O    . HOH   R 4 .   ? 4.274   12.709  26.691 1.00 38.54  ? 725 HOH   C O    1 
HETATM 6686 O  O    . HOH   R 4 .   ? -7.779  15.721  19.369 1.00 39.18  ? 726 HOH   C O    1 
HETATM 6687 O  O    . HOH   R 4 .   ? 10.980  -3.627  24.654 1.00 46.80  ? 727 HOH   C O    1 
HETATM 6688 O  O    . HOH   R 4 .   ? -1.425  14.635  29.961 1.00 39.90  ? 728 HOH   C O    1 
HETATM 6689 O  O    . HOH   R 4 .   ? -17.059 0.585   6.769  1.00 78.14  ? 729 HOH   C O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . CYS A 8   ? 0.5850 0.6698 0.6287 0.1022  -0.0665 -0.0237 253 CYS A N   
2    C CA  . CYS A 8   ? 0.5744 0.6572 0.6290 0.0994  -0.0581 -0.0253 253 CYS A CA  
3    C C   . CYS A 8   ? 0.4620 0.5570 0.5241 0.0895  -0.0482 -0.0245 253 CYS A C   
4    O O   . CYS A 8   ? 0.4015 0.5153 0.4771 0.0889  -0.0462 -0.0292 253 CYS A O   
5    C CB  . CYS A 8   ? 0.6722 0.7633 0.7502 0.1088  -0.0582 -0.0356 253 CYS A CB  
6    S SG  . CYS A 8   ? 0.7613 0.8467 0.8511 0.1072  -0.0491 -0.0376 253 CYS A SG  
10   N N   . HIS A 9   ? 0.4106 0.4948 0.4642 0.0820  -0.0421 -0.0185 254 HIS A N   
11   C CA  . HIS A 9   ? 0.3245 0.4182 0.3856 0.0728  -0.0320 -0.0178 254 HIS A CA  
12   C C   . HIS A 9   ? 0.2369 0.3212 0.3019 0.0709  -0.0254 -0.0174 254 HIS A C   
13   O O   . HIS A 9   ? 0.2330 0.2994 0.2869 0.0739  -0.0289 -0.0143 254 HIS A O   
14   C CB  . HIS A 9   ? 0.3458 0.4362 0.3875 0.0629  -0.0311 -0.0089 254 HIS A CB  
15   C CG  . HIS A 9   ? 0.3898 0.4582 0.4057 0.0611  -0.0362 0.0002  254 HIS A CG  
16   N ND1 . HIS A 9   ? 0.3897 0.4451 0.3919 0.0528  -0.0314 0.0077  254 HIS A ND1 
17   C CD2 . HIS A 9   ? 0.4025 0.4593 0.4035 0.0668  -0.0458 0.0028  254 HIS A CD2 
18   C CE1 . HIS A 9   ? 0.4083 0.4452 0.3886 0.0532  -0.0377 0.0147  254 HIS A CE1 
19   N NE2 . HIS A 9   ? 0.4158 0.4530 0.3947 0.0616  -0.0464 0.0120  254 HIS A NE2 
27   N N   . PRO A 10  ? 0.2016 0.2972 0.2820 0.0663  -0.0161 -0.0206 255 PRO A N   
28   C CA  . PRO A 10  ? 0.2067 0.2955 0.2947 0.0663  -0.0100 -0.0220 255 PRO A CA  
29   C C   . PRO A 10  ? 0.2017 0.2722 0.2705 0.0588  -0.0071 -0.0130 255 PRO A C   
30   O O   . PRO A 10  ? 0.1995 0.2585 0.2691 0.0609  -0.0054 -0.0131 255 PRO A O   
31   C CB  . PRO A 10  ? 0.2039 0.3122 0.3146 0.0635  -0.0008 -0.0284 255 PRO A CB  
32   C CG  . PRO A 10  ? 0.2262 0.3472 0.3338 0.0575  -0.0002 -0.0263 255 PRO A CG  
33   C CD  . PRO A 10  ? 0.2171 0.3337 0.3112 0.0621  -0.0109 -0.0242 255 PRO A CD  
41   N N   . CYS A 11  ? 0.2064 0.2741 0.2585 0.0501  -0.0065 -0.0053 256 CYS A N   
42   C CA  . CYS A 11  ? 0.2384 0.2902 0.2733 0.0421  -0.0030 0.0032  256 CYS A CA  
43   C C   . CYS A 11  ? 0.2733 0.3116 0.2826 0.0394  -0.0100 0.0118  256 CYS A C   
44   O O   . CYS A 11  ? 0.2960 0.3415 0.3013 0.0403  -0.0150 0.0120  256 CYS A O   
45   C CB  . CYS A 11  ? 0.2421 0.3040 0.2824 0.0323  0.0068  0.0044  256 CYS A CB  
46   S SG  . CYS A 11  ? 0.2599 0.3359 0.3285 0.0341  0.0163  -0.0046 256 CYS A SG  
51   N N   . PRO A 12  ? 0.2631 0.2816 0.2544 0.0360  -0.0105 0.0190  257 PRO A N   
52   C CA  . PRO A 12  ? 0.2862 0.2917 0.2526 0.0324  -0.0162 0.0278  257 PRO A CA  
53   C C   . PRO A 12  ? 0.2504 0.2649 0.2109 0.0228  -0.0124 0.0320  257 PRO A C   
54   O O   . PRO A 12  ? 0.2092 0.2355 0.1813 0.0171  -0.0042 0.0301  257 PRO A O   
55   C CB  . PRO A 12  ? 0.3421 0.3262 0.2937 0.0297  -0.0153 0.0340  257 PRO A CB  
56   C CG  . PRO A 12  ? 0.3306 0.3155 0.2995 0.0342  -0.0109 0.0278  257 PRO A CG  
57   C CD  . PRO A 12  ? 0.2548 0.2624 0.2479 0.0350  -0.0053 0.0196  257 PRO A CD  
65   N N   . TRP A 13  ? 0.2553 0.2646 0.1980 0.0212  -0.0186 0.0377  258 TRP A N   
66   C CA  . TRP A 13  ? 0.2495 0.2656 0.1844 0.0117  -0.0154 0.0425  258 TRP A CA  
67   C C   . TRP A 13  ? 0.2722 0.2827 0.2027 0.0020  -0.0069 0.0473  258 TRP A C   
68   O O   . TRP A 13  ? 0.2573 0.2508 0.1778 0.0011  -0.0066 0.0513  258 TRP A O   
69   C CB  . TRP A 13  ? 0.2570 0.2623 0.1690 0.0107  -0.0229 0.0497  258 TRP A CB  
70   C CG  . TRP A 13  ? 0.2516 0.2670 0.1670 0.0175  -0.0302 0.0459  258 TRP A CG  
71   C CD1 . TRP A 13  ? 0.2713 0.2847 0.1911 0.0283  -0.0375 0.0411  258 TRP A CD1 
72   C CD2 . TRP A 13  ? 0.2422 0.2707 0.1564 0.0140  -0.0308 0.0465  258 TRP A CD2 
73   N NE1 . TRP A 13  ? 0.2688 0.2938 0.1906 0.0318  -0.0427 0.0386  258 TRP A NE1 
74   C CE2 . TRP A 13  ? 0.2542 0.2886 0.1726 0.0231  -0.0387 0.0419  258 TRP A CE2 
75   C CE3 . TRP A 13  ? 0.2329 0.2691 0.1432 0.0041  -0.0256 0.0505  258 TRP A CE3 
76   C CZ2 . TRP A 13  ? 0.2530 0.3002 0.1714 0.0226  -0.0414 0.0412  258 TRP A CZ2 
77   C CZ3 . TRP A 13  ? 0.2296 0.2784 0.1399 0.0036  -0.0282 0.0498  258 TRP A CZ3 
78   C CH2 . TRP A 13  ? 0.2351 0.2894 0.1496 0.0128  -0.0360 0.0452  258 TRP A CH2 
89   N N   . GLU A 14  ? 0.3099 0.3350 0.2482 -0.0052 -0.0001 0.0467  259 GLU A N   
90   C CA  . GLU A 14  ? 0.3366 0.3604 0.2721 -0.0152 0.0085  0.0508  259 GLU A CA  
91   C C   . GLU A 14  ? 0.2637 0.2922 0.2178 -0.0140 0.0158  0.0451  259 GLU A C   
92   O O   . GLU A 14  ? 0.2753 0.3048 0.2303 -0.0218 0.0236  0.0473  259 GLU A O   
93   C CB  . GLU A 14  ? 0.4647 0.4672 0.3762 -0.0210 0.0072  0.0604  259 GLU A CB  
94   C CG  . GLU A 14  ? 0.5982 0.5937 0.4894 -0.0227 0.0004  0.0669  259 GLU A CG  
95   C CD  . GLU A 14  ? 0.7172 0.6902 0.5854 -0.0268 -0.0016 0.0757  259 GLU A CD  
96   O OE1 . GLU A 14  ? 0.7731 0.7349 0.6252 -0.0239 -0.0094 0.0798  259 GLU A OE1 
97   O OE2 . GLU A 14  ? 0.7457 0.7127 0.6162 -0.0307 0.0050  0.0759  259 GLU A OE2 
104  N N   . TRP A 15  ? 0.2076 0.2390 0.1766 -0.0045 0.0137  0.0378  260 TRP A N   
105  C CA  . TRP A 15  ? 0.1993 0.2365 0.1872 -0.0030 0.0208  0.0319  260 TRP A CA  
106  C C   . TRP A 15  ? 0.1985 0.2593 0.2088 -0.0018 0.0250  0.0240  260 TRP A C   
107  O O   . TRP A 15  ? 0.2361 0.3076 0.2505 0.0020  0.0202  0.0210  260 TRP A O   
108  C CB  . TRP A 15  ? 0.1870 0.2142 0.1795 0.0066  0.0169  0.0281  260 TRP A CB  
109  C CG  . TRP A 15  ? 0.2088 0.2130 0.1818 0.0053  0.0142  0.0351  260 TRP A CG  
110  C CD1 . TRP A 15  ? 0.2461 0.2362 0.1963 0.0035  0.0077  0.0427  260 TRP A CD1 
111  C CD2 . TRP A 15  ? 0.2023 0.1948 0.1763 0.0057  0.0180  0.0354  260 TRP A CD2 
112  N NE1 . TRP A 15  ? 0.2557 0.2260 0.1930 0.0027  0.0072  0.0476  260 TRP A NE1 
113  C CE2 . TRP A 15  ? 0.2447 0.2162 0.1963 0.0041  0.0134  0.0432  260 TRP A CE2 
114  C CE3 . TRP A 15  ? 0.1955 0.1930 0.1871 0.0072  0.0248  0.0299  260 TRP A CE3 
115  C CZ2 . TRP A 15  ? 0.2601 0.2159 0.2066 0.0038  0.0155  0.0455  260 TRP A CZ2 
116  C CZ3 . TRP A 15  ? 0.2004 0.1822 0.1867 0.0072  0.0268  0.0322  260 TRP A CZ3 
117  C CH2 . TRP A 15  ? 0.2242 0.1855 0.1884 0.0055  0.0221  0.0399  260 TRP A CH2 
128  N N   . THR A 16  ? 0.1503 0.2194 0.1920 -0.0024 0.0129  0.0008  261 THR A N   
129  C CA  . THR A 16  ? 0.1465 0.2136 0.1847 -0.0001 0.0170  -0.0042 261 THR A CA  
130  C C   . THR A 16  ? 0.1528 0.2137 0.1946 0.0008  0.0157  -0.0080 261 THR A C   
131  O O   . THR A 16  ? 0.1575 0.2157 0.2057 0.0018  0.0145  -0.0080 261 THR A O   
132  C CB  . THR A 16  ? 0.1812 0.2499 0.2193 0.0029  0.0222  -0.0052 261 THR A CB  
133  O OG1 . THR A 16  ? 0.1859 0.2607 0.2204 0.0020  0.0235  -0.0017 261 THR A OG1 
134  C CG2 . THR A 16  ? 0.2112 0.2774 0.2454 0.0054  0.0265  -0.0104 261 THR A CG2 
142  N N   . PHE A 17  ? 0.1527 0.2117 0.1906 0.0003  0.0156  -0.0111 262 PHE A N   
143  C CA  . PHE A 17  ? 0.1863 0.2398 0.2274 0.0009  0.0144  -0.0149 262 PHE A CA  
144  C C   . PHE A 17  ? 0.1864 0.2369 0.2281 0.0042  0.0192  -0.0192 262 PHE A C   
145  O O   . PHE A 17  ? 0.1890 0.2406 0.2254 0.0055  0.0231  -0.0212 262 PHE A O   
146  C CB  . PHE A 17  ? 0.2274 0.2800 0.2641 -0.0009 0.0122  -0.0166 262 PHE A CB  
147  C CG  . PHE A 17  ? 0.2564 0.3038 0.2962 -0.0005 0.0111  -0.0205 262 PHE A CG  
148  C CD1 . PHE A 17  ? 0.2865 0.3311 0.3245 0.0015  0.0149  -0.0252 262 PHE A CD1 
149  C CD2 . PHE A 17  ? 0.2267 0.2719 0.2715 -0.0020 0.0064  -0.0196 262 PHE A CD2 
150  C CE1 . PHE A 17  ? 0.2925 0.3323 0.3337 0.0017  0.0139  -0.0287 262 PHE A CE1 
151  C CE2 . PHE A 17  ? 0.2160 0.2568 0.2638 -0.0016 0.0054  -0.0231 262 PHE A CE2 
152  C CZ  . PHE A 17  ? 0.2633 0.3014 0.3095 0.0002  0.0092  -0.0276 262 PHE A CZ  
162  N N   . PHE A 18  ? 0.1859 0.2326 0.2339 0.0056  0.0188  -0.0205 263 PHE A N   
163  C CA  . PHE A 18  ? 0.1732 0.2165 0.2223 0.0086  0.0230  -0.0245 263 PHE A CA  
164  C C   . PHE A 18  ? 0.1509 0.1894 0.2060 0.0090  0.0209  -0.0264 263 PHE A C   
165  O O   . PHE A 18  ? 0.1382 0.1762 0.1991 0.0090  0.0183  -0.0243 263 PHE A O   
166  C CB  . PHE A 18  ? 0.1881 0.2332 0.2388 0.0112  0.0266  -0.0234 263 PHE A CB  
167  C CG  . PHE A 18  ? 0.2052 0.2466 0.2577 0.0145  0.0308  -0.0271 263 PHE A CG  
168  C CD1 . PHE A 18  ? 0.2418 0.2824 0.2892 0.0161  0.0351  -0.0305 263 PHE A CD1 
169  C CD2 . PHE A 18  ? 0.1941 0.2327 0.2532 0.0162  0.0303  -0.0273 263 PHE A CD2 
170  C CE1 . PHE A 18  ? 0.2704 0.3073 0.3194 0.0192  0.0389  -0.0339 263 PHE A CE1 
171  C CE2 . PHE A 18  ? 0.1946 0.2297 0.2555 0.0193  0.0342  -0.0306 263 PHE A CE2 
172  C CZ  . PHE A 18  ? 0.2332 0.2674 0.2891 0.0207  0.0385  -0.0338 263 PHE A CZ  
182  N N   . GLN A 19  ? 0.1554 0.1905 0.2091 0.0092  0.0218  -0.0304 264 GLN A N   
183  C CA  . GLN A 19  ? 0.1906 0.2212 0.2499 0.0098  0.0207  -0.0327 264 GLN A CA  
184  C C   . GLN A 19  ? 0.2053 0.2360 0.2698 0.0081  0.0153  -0.0300 264 GLN A C   
185  O O   . GLN A 19  ? 0.2329 0.2618 0.3035 0.0094  0.0145  -0.0296 264 GLN A O   
186  C CB  . GLN A 19  ? 0.2099 0.2383 0.2727 0.0133  0.0249  -0.0344 264 GLN A CB  
187  C CG  . GLN A 19  ? 0.2720 0.2995 0.3300 0.0152  0.0302  -0.0376 264 GLN A CG  
188  C CD  . GLN A 19  ? 0.3373 0.3617 0.3989 0.0186  0.0341  -0.0396 264 GLN A CD  
189  O OE1 . GLN A 19  ? 0.3813 0.4049 0.4489 0.0198  0.0330  -0.0383 264 GLN A OE1 
190  N NE2 . GLN A 19  ? 0.3405 0.3631 0.3984 0.0204  0.0385  -0.0429 264 GLN A NE2 
199  N N   . GLY A 20  ? 0.1959 0.2285 0.2577 0.0051  0.0114  -0.0281 265 GLY A N   
200  C CA  . GLY A 20  ? 0.2161 0.2483 0.2823 0.0034  0.0060  -0.0259 265 GLY A CA  
201  C C   . GLY A 20  ? 0.2093 0.2440 0.2783 0.0030  0.0036  -0.0214 265 GLY A C   
202  O O   . GLY A 20  ? 0.2061 0.2403 0.2786 0.0016  -0.0011 -0.0195 265 GLY A O   
206  N N   . ASN A 21  ? 0.1882 0.2255 0.2556 0.0041  0.0065  -0.0196 266 ASN A N   
207  C CA  . ASN A 21  ? 0.1818 0.2216 0.2517 0.0035  0.0041  -0.0153 266 ASN A CA  
208  C C   . ASN A 21  ? 0.1581 0.2026 0.2224 0.0022  0.0054  -0.0126 266 ASN A C   
209  O O   . ASN A 21  ? 0.1634 0.2091 0.2221 0.0024  0.0087  -0.0145 266 ASN A O   
210  C CB  . ASN A 21  ? 0.1813 0.2199 0.2566 0.0065  0.0061  -0.0153 266 ASN A CB  
211  C CG  . ASN A 21  ? 0.2212 0.2557 0.3026 0.0077  0.0040  -0.0170 266 ASN A CG  
212  O OD1 . ASN A 21  ? 0.2257 0.2597 0.3104 0.0064  -0.0008 -0.0150 266 ASN A OD1 
213  N ND2 . ASN A 21  ? 0.2473 0.2790 0.3300 0.0103  0.0077  -0.0206 266 ASN A ND2 
220  N N   . CYS A 22  ? 0.1438 0.1909 0.2098 0.0008  0.0025  -0.0082 267 CYS A N   
221  C CA  . CYS A 22  ? 0.1602 0.2121 0.2218 -0.0008 0.0031  -0.0048 267 CYS A CA  
222  C C   . CYS A 22  ? 0.1417 0.1957 0.2064 0.0008  0.0049  -0.0026 267 CYS A C   
223  O O   . CYS A 22  ? 0.1355 0.1878 0.2061 0.0015  0.0027  -0.0014 267 CYS A O   
224  C CB  . CYS A 22  ? 0.2040 0.2575 0.2647 -0.0042 -0.0021 -0.0011 267 CYS A CB  
225  S SG  . CYS A 22  ? 0.2144 0.2655 0.2722 -0.0059 -0.0049 -0.0037 267 CYS A SG  
230  N N   . TYR A 23  ? 0.1200 0.1780 0.1806 0.0013  0.0088  -0.0018 268 TYR A N   
231  C CA  . TYR A 23  ? 0.1236 0.1839 0.1866 0.0029  0.0110  -0.0000 268 TYR A CA  
232  C C   . TYR A 23  ? 0.1488 0.2149 0.2086 0.0008  0.0109  0.0043  268 TYR A C   
233  O O   . TYR A 23  ? 0.1626 0.2313 0.2163 -0.0007 0.0117  0.0046  268 TYR A O   
234  C CB  . TYR A 23  ? 0.1193 0.1789 0.1810 0.0064  0.0169  -0.0038 268 TYR A CB  
235  C CG  . TYR A 23  ? 0.1274 0.1815 0.1926 0.0087  0.0175  -0.0079 268 TYR A CG  
236  C CD1 . TYR A 23  ? 0.1305 0.1816 0.1931 0.0083  0.0176  -0.0113 268 TYR A CD1 
237  C CD2 . TYR A 23  ? 0.1186 0.1705 0.1896 0.0112  0.0180  -0.0083 268 TYR A CD2 
238  C CE1 . TYR A 23  ? 0.1297 0.1759 0.1956 0.0103  0.0184  -0.0149 268 TYR A CE1 
239  C CE2 . TYR A 23  ? 0.1116 0.1587 0.1858 0.0134  0.0187  -0.0119 268 TYR A CE2 
240  C CZ  . TYR A 23  ? 0.1359 0.1802 0.2077 0.0128  0.0189  -0.0150 268 TYR A CZ  
241  O OH  . TYR A 23  ? 0.1792 0.2191 0.2543 0.0148  0.0197  -0.0184 268 TYR A OH  
251  N N   . PHE A 24  ? 0.1413 0.2093 0.2052 0.0007  0.0099  0.0076  269 PHE A N   
252  C CA  . PHE A 24  ? 0.1703 0.2441 0.2321 -0.0013 0.0098  0.0121  269 PHE A CA  
253  C C   . PHE A 24  ? 0.1728 0.2490 0.2376 0.0007  0.0126  0.0131  269 PHE A C   
254  O O   . PHE A 24  ? 0.1626 0.2362 0.2335 0.0021  0.0111  0.0130  269 PHE A O   
255  C CB  . PHE A 24  ? 0.2038 0.2778 0.2680 -0.0047 0.0039  0.0165  269 PHE A CB  
256  C CG  . PHE A 24  ? 0.2643 0.3441 0.3272 -0.0070 0.0035  0.0216  269 PHE A CG  
257  C CD1 . PHE A 24  ? 0.3101 0.3939 0.3667 -0.0091 0.0042  0.0233  269 PHE A CD1 
258  C CD2 . PHE A 24  ? 0.3049 0.3861 0.3729 -0.0070 0.0023  0.0246  269 PHE A CD2 
259  C CE1 . PHE A 24  ? 0.3472 0.4366 0.4027 -0.0112 0.0039  0.0282  269 PHE A CE1 
260  C CE2 . PHE A 24  ? 0.3638 0.4504 0.4310 -0.0093 0.0019  0.0294  269 PHE A CE2 
261  C CZ  . PHE A 24  ? 0.3610 0.4519 0.4220 -0.0114 0.0028  0.0313  269 PHE A CZ  
271  N N   . MET A 25  ? 0.1963 0.2774 0.2569 0.0012  0.0166  0.0137  270 MET A N   
272  C CA  . MET A 25  ? 0.2093 0.2935 0.2725 0.0028  0.0191  0.0151  270 MET A CA  
273  C C   . MET A 25  ? 0.1872 0.2770 0.2506 -0.0004 0.0170  0.0208  270 MET A C   
274  O O   . MET A 25  ? 0.1870 0.2804 0.2452 -0.0026 0.0170  0.0227  270 MET A O   
275  C CB  . MET A 25  ? 0.2809 0.3670 0.3398 0.0058  0.0253  0.0119  270 MET A CB  
276  C CG  . MET A 25  ? 0.3776 0.4671 0.4395 0.0078  0.0280  0.0131  270 MET A CG  
277  S SD  . MET A 25  ? 0.4504 0.5413 0.5079 0.0121  0.0354  0.0088  270 MET A SD  
278  C CE  . MET A 25  ? 0.4971 0.5937 0.5463 0.0103  0.0376  0.0101  270 MET A CE  
288  N N   . SER A 26  ? 0.1880 0.2784 0.2573 -0.0005 0.0150  0.0235  271 SER A N   
289  C CA  . SER A 26  ? 0.1863 0.2814 0.2569 -0.0036 0.0124  0.0291  271 SER A CA  
290  C C   . SER A 26  ? 0.1916 0.2937 0.2581 -0.0037 0.0168  0.0308  271 SER A C   
291  O O   . SER A 26  ? 0.1842 0.2874 0.2483 -0.0007 0.0217  0.0276  271 SER A O   
292  C CB  . SER A 26  ? 0.1778 0.2714 0.2561 -0.0033 0.0094  0.0310  271 SER A CB  
293  O OG  . SER A 26  ? 0.1644 0.2588 0.2447 0.0002  0.0134  0.0288  271 SER A OG  
299  N N   . ASN A 27  ? 0.2332 0.3401 0.2990 -0.0070 0.0148  0.0359  272 ASN A N   
300  C CA  . ASN A 27  ? 0.3486 0.4629 0.4117 -0.0073 0.0184  0.0383  272 ASN A CA  
301  C C   . ASN A 27  ? 0.3148 0.4322 0.3839 -0.0086 0.0167  0.0426  272 ASN A C   
302  O O   . ASN A 27  ? 0.3218 0.4459 0.3896 -0.0096 0.0187  0.0458  272 ASN A O   
303  C CB  . ASN A 27  ? 0.5138 0.6324 0.5705 -0.0102 0.0184  0.0411  272 ASN A CB  
304  C CG  . ASN A 27  ? 0.6761 0.7946 0.7348 -0.0143 0.0127  0.0459  272 ASN A CG  
305  O OD1 . ASN A 27  ? 0.7571 0.8716 0.8219 -0.0152 0.0085  0.0471  272 ASN A OD1 
306  N ND2 . ASN A 27  ? 0.7204 0.8435 0.7741 -0.0169 0.0127  0.0492  272 ASN A ND2 
313  N N   . SER A 28  ? 0.2849 0.3976 0.3607 -0.0084 0.0129  0.0427  273 SER A N   
314  C CA  . SER A 28  ? 0.2483 0.3629 0.3305 -0.0089 0.0110  0.0459  273 SER A CA  
315  C C   . SER A 28  ? 0.2264 0.3360 0.3137 -0.0052 0.0112  0.0421  273 SER A C   
316  O O   . SER A 28  ? 0.2031 0.3077 0.2892 -0.0028 0.0122  0.0375  273 SER A O   
317  C CB  . SER A 28  ? 0.2584 0.3723 0.3440 -0.0131 0.0049  0.0509  273 SER A CB  
318  O OG  . SER A 28  ? 0.3294 0.4363 0.4174 -0.0128 0.0008  0.0490  273 SER A OG  
324  N N   . GLN A 29  ? 0.2083 0.3193 0.3013 -0.0048 0.0102  0.0440  274 GLN A N   
325  C CA  . GLN A 29  ? 0.2103 0.3172 0.3081 -0.0011 0.0105  0.0406  274 GLN A CA  
326  C C   . GLN A 29  ? 0.1776 0.2810 0.2824 -0.0023 0.0045  0.0429  274 GLN A C   
327  O O   . GLN A 29  ? 0.1580 0.2644 0.2654 -0.0056 0.0013  0.0478  274 GLN A O   
328  C CB  . GLN A 29  ? 0.2122 0.3237 0.3106 0.0016  0.0152  0.0398  274 GLN A CB  
329  C CG  . GLN A 29  ? 0.2291 0.3442 0.3205 0.0030  0.0212  0.0375  274 GLN A CG  
330  C CD  . GLN A 29  ? 0.2931 0.4136 0.3850 0.0052  0.0256  0.0374  274 GLN A CD  
331  O OE1 . GLN A 29  ? 0.3380 0.4565 0.4304 0.0094  0.0288  0.0333  274 GLN A OE1 
332  N NE2 . GLN A 29  ? 0.3154 0.4426 0.4071 0.0026  0.0257  0.0417  274 GLN A NE2 
341  N N   . ARG A 30  ? 0.1547 0.2518 0.2626 0.0005  0.0030  0.0394  275 ARG A N   
342  C CA  . ARG A 30  ? 0.1684 0.2616 0.2828 0.0003  -0.0024 0.0407  275 ARG A CA  
343  C C   . ARG A 30  ? 0.1402 0.2294 0.2581 0.0051  -0.0011 0.0364  275 ARG A C   
344  O O   . ARG A 30  ? 0.1376 0.2258 0.2526 0.0083  0.0035  0.0322  275 ARG A O   
345  C CB  . ARG A 30  ? 0.2324 0.3208 0.3468 -0.0020 -0.0075 0.0414  275 ARG A CB  
346  C CG  . ARG A 30  ? 0.2727 0.3642 0.3840 -0.0068 -0.0098 0.0459  275 ARG A CG  
347  C CD  . ARG A 30  ? 0.3359 0.4219 0.4476 -0.0083 -0.0149 0.0459  275 ARG A CD  
348  N NE  . ARG A 30  ? 0.4333 0.5215 0.5418 -0.0126 -0.0173 0.0499  275 ARG A NE  
349  C CZ  . ARG A 30  ? 0.5037 0.5884 0.6135 -0.0150 -0.0229 0.0519  275 ARG A CZ  
350  N NH1 . ARG A 30  ? 0.4875 0.5663 0.6018 -0.0133 -0.0268 0.0501  275 ARG A NH1 
351  N NH2 . ARG A 30  ? 0.5555 0.6425 0.6619 -0.0189 -0.0247 0.0556  275 ARG A NH2 
365  N N   . ASN A 31  ? 0.1511 0.2377 0.2753 0.0056  -0.0054 0.0375  276 ASN A N   
366  C CA  . ASN A 31  ? 0.1705 0.2529 0.2982 0.0103  -0.0046 0.0335  276 ASN A CA  
367  C C   . ASN A 31  ? 0.1615 0.2379 0.2882 0.0116  -0.0060 0.0303  276 ASN A C   
368  O O   . ASN A 31  ? 0.1683 0.2435 0.2923 0.0088  -0.0081 0.0314  276 ASN A O   
369  C CB  . ASN A 31  ? 0.2266 0.3083 0.3612 0.0108  -0.0088 0.0355  276 ASN A CB  
370  C CG  . ASN A 31  ? 0.2345 0.3125 0.3725 0.0082  -0.0158 0.0381  276 ASN A CG  
371  O OD1 . ASN A 31  ? 0.2046 0.2785 0.3410 0.0077  -0.0179 0.0370  276 ASN A OD1 
372  N ND2 . ASN A 31  ? 0.2518 0.3311 0.3945 0.0066  -0.0197 0.0416  276 ASN A ND2 
379  N N   . TRP A 32  ? 0.2434 0.1886 0.1838 0.0131  0.0422  -0.0400 277 TRP A N   
380  C CA  . TRP A 32  ? 0.2705 0.2123 0.2171 0.0145  0.0469  -0.0402 277 TRP A CA  
381  C C   . TRP A 32  ? 0.2729 0.2072 0.2317 0.0168  0.0503  -0.0381 277 TRP A C   
382  O O   . TRP A 32  ? 0.2443 0.1828 0.2132 0.0138  0.0448  -0.0323 277 TRP A O   
383  C CB  . TRP A 32  ? 0.2561 0.2078 0.2117 0.0179  0.0456  -0.0393 277 TRP A CB  
384  C CG  . TRP A 32  ? 0.2413 0.1918 0.2035 0.0190  0.0494  -0.0392 277 TRP A CG  
385  C CD1 . TRP A 32  ? 0.2319 0.1842 0.1898 0.0165  0.0488  -0.0396 277 TRP A CD1 
386  C CD2 . TRP A 32  ? 0.2228 0.1715 0.1985 0.0229  0.0539  -0.0381 277 TRP A CD2 
387  N NE1 . TRP A 32  ? 0.2075 0.1587 0.1753 0.0187  0.0532  -0.0393 277 TRP A NE1 
388  C CE2 . TRP A 32  ? 0.2225 0.1720 0.2021 0.0227  0.0561  -0.0381 277 TRP A CE2 
389  C CE3 . TRP A 32  ? 0.2268 0.1739 0.2127 0.0264  0.0558  -0.0369 277 TRP A CE3 
390  C CZ2 . TRP A 32  ? 0.2651 0.2146 0.2596 0.0259  0.0599  -0.0365 277 TRP A CZ2 
391  C CZ3 . TRP A 32  ? 0.2634 0.2107 0.2632 0.0293  0.0591  -0.0352 277 TRP A CZ3 
392  C CH2 . TRP A 32  ? 0.2799 0.2287 0.2844 0.0291  0.0610  -0.0349 277 TRP A CH2 
403  N N   . HIS A 33  ? 0.2971 0.2281 0.2618 0.0211  0.0534  -0.0386 278 HIS A N   
404  C CA  . HIS A 33  ? 0.3012 0.2333 0.2853 0.0225  0.0506  -0.0321 278 HIS A CA  
405  C C   . HIS A 33  ? 0.2908 0.2254 0.2765 0.0164  0.0404  -0.0253 278 HIS A C   
406  O O   . HIS A 33  ? 0.2572 0.1953 0.2588 0.0155  0.0357  -0.0185 278 HIS A O   
407  C CB  . HIS A 33  ? 0.3369 0.2644 0.3255 0.0280  0.0565  -0.0347 278 HIS A CB  
408  C CG  . HIS A 33  ? 0.3753 0.3109 0.3681 0.0301  0.0570  -0.0352 278 HIS A CG  
409  N ND1 . HIS A 33  ? 0.3855 0.3294 0.3682 0.0283  0.0525  -0.0368 278 HIS A ND1 
410  C CD2 . HIS A 33  ? 0.3985 0.3362 0.4053 0.0329  0.0593  -0.0332 278 HIS A CD2 
411  C CE1 . HIS A 33  ? 0.3909 0.3398 0.3795 0.0301  0.0524  -0.0364 278 HIS A CE1 
412  N NE2 . HIS A 33  ? 0.3846 0.3296 0.3859 0.0325  0.0568  -0.0345 278 HIS A NE2 
420  N N   . ASP A 34  ? 0.3060 0.2390 0.2756 0.0124  0.0369  -0.0268 279 ASP A N   
421  C CA  . ASP A 34  ? 0.3228 0.2580 0.2923 0.0061  0.0272  -0.0204 279 ASP A CA  
422  C C   . ASP A 34  ? 0.2597 0.1998 0.2284 0.0006  0.0214  -0.0170 279 ASP A C   
423  O O   . ASP A 34  ? 0.2478 0.1910 0.2232 -0.0040 0.0132  -0.0100 279 ASP A O   
424  C CB  . ASP A 34  ? 0.3950 0.3269 0.3469 0.0031  0.0254  -0.0233 279 ASP A CB  
425  C CG  . ASP A 34  ? 0.4527 0.3802 0.4079 0.0074  0.0288  -0.0245 279 ASP A CG  
426  O OD1 . ASP A 34  ? 0.4614 0.3886 0.4336 0.0118  0.0310  -0.0218 279 ASP A OD1 
427  O OD2 . ASP A 34  ? 0.4746 0.3988 0.4155 0.0063  0.0295  -0.0284 279 ASP A OD2 
432  N N   . SER A 35  ? 0.2252 0.1660 0.1859 0.0008  0.0256  -0.0219 280 SER A N   
433  C CA  . SER A 35  ? 0.2397 0.1851 0.2004 -0.0042 0.0210  -0.0191 280 SER A CA  
434  C C   . SER A 35  ? 0.2111 0.1605 0.1929 -0.0025 0.0195  -0.0133 280 SER A C   
435  O O   . SER A 35  ? 0.2001 0.1539 0.1875 -0.0076 0.0120  -0.0073 280 SER A O   
436  C CB  . SER A 35  ? 0.2674 0.2121 0.2148 -0.0037 0.0268  -0.0261 280 SER A CB  
437  O OG  . SER A 35  ? 0.2643 0.2061 0.1920 -0.0064 0.0271  -0.0308 280 SER A OG  
443  N N   . ILE A 36  ? 0.2063 0.1542 0.2001 0.0046  0.0267  -0.0151 281 ILE A N   
444  C CA  . ILE A 36  ? 0.2260 0.1774 0.2416 0.0068  0.0260  -0.0096 281 ILE A CA  
445  C C   . ILE A 36  ? 0.2256 0.1794 0.2526 0.0037  0.0172  -0.0012 281 ILE A C   
446  O O   . ILE A 36  ? 0.2493 0.2081 0.2871 0.0003  0.0109  0.0052  281 ILE A O   
447  C CB  . ILE A 36  ? 0.2701 0.2186 0.2959 0.0150  0.0354  -0.0132 281 ILE A CB  
448  C CG1 . ILE A 36  ? 0.3234 0.2706 0.3404 0.0176  0.0434  -0.0204 281 ILE A CG1 
449  C CG2 . ILE A 36  ? 0.3060 0.2575 0.3561 0.0175  0.0343  -0.0069 281 ILE A CG2 
450  C CD1 . ILE A 36  ? 0.3756 0.3197 0.4007 0.0250  0.0529  -0.0243 281 ILE A CD1 
462  N N   . THR A 37  ? 0.2294 0.1795 0.2535 0.0046  0.0164  -0.0010 282 THR A N   
463  C CA  . THR A 37  ? 0.2460 0.1977 0.2805 0.0019  0.0083  0.0071  282 THR A CA  
464  C C   . THR A 37  ? 0.2519 0.2070 0.2779 -0.0066 -0.0016 0.0116  282 THR A C   
465  O O   . THR A 37  ? 0.2398 0.1988 0.2780 -0.0096 -0.0092 0.0195  282 THR A O   
466  C CB  . THR A 37  ? 0.3026 0.2490 0.3329 0.0044  0.0102  0.0053  282 THR A CB  
467  O OG1 . THR A 37  ? 0.3172 0.2601 0.3537 0.0119  0.0199  0.0005  282 THR A OG1 
468  C CG2 . THR A 37  ? 0.3226 0.2701 0.3656 0.0026  0.0028  0.0137  282 THR A CG2 
476  N N   . ALA A 38  ? 0.2757 0.2293 0.2810 -0.0106 -0.0017 0.0067  283 ALA A N   
477  C CA  . ALA A 38  ? 0.2885 0.2450 0.2845 -0.0190 -0.0107 0.0104  283 ALA A CA  
478  C C   . ALA A 38  ? 0.2539 0.2162 0.2600 -0.0220 -0.0148 0.0151  283 ALA A C   
479  O O   . ALA A 38  ? 0.2426 0.2086 0.2523 -0.0280 -0.0240 0.0221  283 ALA A O   
480  C CB  . ALA A 38  ? 0.2746 0.2285 0.2470 -0.0223 -0.0087 0.0035  283 ALA A CB  
486  N N   . CYS A 39  ? 0.2144 0.1779 0.2249 -0.0182 -0.0083 0.0113  284 CYS A N   
487  C CA  . CYS A 39  ? 0.2050 0.1742 0.2256 -0.0211 -0.0120 0.0156  284 CYS A CA  
488  C C   . CYS A 39  ? 0.1993 0.1721 0.2433 -0.0194 -0.0162 0.0238  284 CYS A C   
489  O O   . CYS A 39  ? 0.1951 0.1729 0.2460 -0.0246 -0.0245 0.0306  284 CYS A O   
490  C CB  . CYS A 39  ? 0.2258 0.1950 0.2454 -0.0174 -0.0037 0.0095  284 CYS A CB  
491  S SG  . CYS A 39  ? 0.2639 0.2298 0.2570 -0.0201 0.0005  0.0007  284 CYS A SG  
496  N N   . LYS A 40  ? 0.1898 0.1601 0.2462 -0.0122 -0.0108 0.0233  285 LYS A N   
497  C CA  . LYS A 40  ? 0.2462 0.2197 0.3258 -0.0102 -0.0143 0.0311  285 LYS A CA  
498  C C   . LYS A 40  ? 0.2599 0.2351 0.3409 -0.0158 -0.0250 0.0390  285 LYS A C   
499  O O   . LYS A 40  ? 0.2883 0.2685 0.3859 -0.0175 -0.0314 0.0469  285 LYS A O   
500  C CB  . LYS A 40  ? 0.2988 0.2682 0.3892 -0.0018 -0.0062 0.0286  285 LYS A CB  
501  C CG  . LYS A 40  ? 0.3695 0.3382 0.4649 0.0042  0.0038  0.0229  285 LYS A CG  
502  C CD  . LYS A 40  ? 0.4570 0.4212 0.5624 0.0119  0.0117  0.0205  285 LYS A CD  
503  C CE  . LYS A 40  ? 0.5721 0.5373 0.6915 0.0176  0.0195  0.0184  285 LYS A CE  
504  N NZ  . LYS A 40  ? 0.6672 0.6339 0.8111 0.0211  0.0186  0.0249  285 LYS A NZ  
518  N N   . GLU A 41  ? 0.2355 0.2069 0.2995 -0.0189 -0.0272 0.0370  286 GLU A N   
519  C CA  . GLU A 41  ? 0.2615 0.2339 0.3262 -0.0243 -0.0372 0.0444  286 GLU A CA  
520  C C   . GLU A 41  ? 0.2784 0.2563 0.3407 -0.0326 -0.0466 0.0499  286 GLU A C   
521  O O   . GLU A 41  ? 0.3203 0.3008 0.3890 -0.0369 -0.0559 0.0580  286 GLU A O   
522  C CB  . GLU A 41  ? 0.2651 0.2319 0.3111 -0.0258 -0.0367 0.0405  286 GLU A CB  
523  C CG  . GLU A 41  ? 0.2729 0.2345 0.3240 -0.0185 -0.0298 0.0375  286 GLU A CG  
524  C CD  . GLU A 41  ? 0.3085 0.2644 0.3395 -0.0196 -0.0278 0.0319  286 GLU A CD  
525  O OE1 . GLU A 41  ? 0.3400 0.2959 0.3531 -0.0257 -0.0312 0.0300  286 GLU A OE1 
526  O OE2 . GLU A 41  ? 0.3149 0.2663 0.3484 -0.0144 -0.0227 0.0295  286 GLU A OE2 
533  N N   . VAL A 42  ? 0.2547 0.2346 0.3088 -0.0349 -0.0447 0.0459  287 VAL A N   
534  C CA  . VAL A 42  ? 0.3057 0.2908 0.3572 -0.0430 -0.0532 0.0506  287 VAL A CA  
535  C C   . VAL A 42  ? 0.3110 0.3016 0.3789 -0.0413 -0.0520 0.0527  287 VAL A C   
536  O O   . VAL A 42  ? 0.3330 0.3273 0.3963 -0.0468 -0.0556 0.0535  287 VAL A O   
537  C CB  . VAL A 42  ? 0.3376 0.3207 0.3642 -0.0489 -0.0529 0.0446  287 VAL A CB  
538  C CG1 . VAL A 42  ? 0.3677 0.3459 0.3786 -0.0516 -0.0552 0.0435  287 VAL A CG1 
539  C CG2 . VAL A 42  ? 0.3151 0.2957 0.3342 -0.0442 -0.0425 0.0354  287 VAL A CG2 
549  N N   . GLY A 43  ? 0.2779 0.2687 0.3650 -0.0337 -0.0470 0.0538  288 GLY A N   
550  C CA  . GLY A 43  ? 0.2564 0.2524 0.3612 -0.0316 -0.0458 0.0562  288 GLY A CA  
551  C C   . GLY A 43  ? 0.2389 0.2348 0.3347 -0.0310 -0.0390 0.0489  288 GLY A C   
552  O O   . GLY A 43  ? 0.2656 0.2667 0.3684 -0.0337 -0.0414 0.0513  288 GLY A O   
556  N N   . ALA A 44  ? 0.1944 0.1847 0.2753 -0.0275 -0.0305 0.0401  289 ALA A N   
557  C CA  . ALA A 44  ? 0.1909 0.1805 0.2613 -0.0271 -0.0239 0.0329  289 ALA A CA  
558  C C   . ALA A 44  ? 0.1873 0.1718 0.2577 -0.0185 -0.0125 0.0257  289 ALA A C   
559  O O   . ALA A 44  ? 0.1848 0.1668 0.2646 -0.0132 -0.0098 0.0265  289 ALA A O   
560  C CB  . ALA A 44  ? 0.1936 0.1814 0.2399 -0.0340 -0.0269 0.0295  289 ALA A CB  
566  N N   . GLN A 45  ? 0.2075 0.1902 0.2663 -0.0174 -0.0057 0.0184  290 GLN A N   
567  C CA  . GLN A 45  ? 0.2226 0.2009 0.2805 -0.0097 0.0053  0.0113  290 GLN A CA  
568  C C   . GLN A 45  ? 0.1770 0.1513 0.2119 -0.0108 0.0100  0.0032  290 GLN A C   
569  O O   . GLN A 45  ? 0.1773 0.1535 0.2023 -0.0159 0.0078  0.0021  290 GLN A O   
570  C CB  . GLN A 45  ? 0.3010 0.2822 0.3754 -0.0058 0.0101  0.0117  290 GLN A CB  
571  C CG  . GLN A 45  ? 0.3636 0.3406 0.4394 0.0022  0.0215  0.0050  290 GLN A CG  
572  C CD  . GLN A 45  ? 0.3553 0.3354 0.4484 0.0056  0.0256  0.0060  290 GLN A CD  
573  O OE1 . GLN A 45  ? 0.3559 0.3388 0.4463 0.0029  0.0258  0.0049  290 GLN A OE1 
574  N NE2 . GLN A 45  ? 0.3196 0.2994 0.4309 0.0112  0.0289  0.0082  290 GLN A NE2 
583  N N   . LEU A 46  ? 0.1832 0.1520 0.2098 -0.0060 0.0166  -0.0025 291 LEU A N   
584  C CA  . LEU A 46  ? 0.2057 0.1708 0.2124 -0.0058 0.0222  -0.0105 291 LEU A CA  
585  C C   . LEU A 46  ? 0.1977 0.1644 0.2052 -0.0047 0.0273  -0.0137 291 LEU A C   
586  O O   . LEU A 46  ? 0.2057 0.1730 0.2273 0.0005  0.0325  -0.0137 291 LEU A O   
587  C CB  . LEU A 46  ? 0.2278 0.1872 0.2299 0.0005  0.0295  -0.0158 291 LEU A CB  
588  C CG  . LEU A 46  ? 0.2618 0.2170 0.2435 0.0012  0.0351  -0.0239 291 LEU A CG  
589  C CD1 . LEU A 46  ? 0.2645 0.2196 0.2289 -0.0059 0.0289  -0.0240 291 LEU A CD1 
590  C CD2 . LEU A 46  ? 0.2877 0.2379 0.2672 0.0076  0.0423  -0.0286 291 LEU A CD2 
602  N N   . VAL A 47  ? 0.1757 0.1428 0.1680 -0.0097 0.0260  -0.0164 292 VAL A N   
603  C CA  . VAL A 47  ? 0.1788 0.1493 0.1747 -0.0115 0.0268  -0.0163 292 VAL A CA  
604  C C   . VAL A 47  ? 0.1785 0.1475 0.1812 -0.0044 0.0366  -0.0207 292 VAL A C   
605  O O   . VAL A 47  ? 0.1797 0.1439 0.1725 0.0000  0.0441  -0.0272 292 VAL A O   
606  C CB  . VAL A 47  ? 0.2088 0.1790 0.1857 -0.0178 0.0250  -0.0195 292 VAL A CB  
607  C CG1 . VAL A 47  ? 0.2098 0.1745 0.1686 -0.0150 0.0322  -0.0277 292 VAL A CG1 
608  C CG2 . VAL A 47  ? 0.2371 0.2111 0.2184 -0.0204 0.0250  -0.0188 292 VAL A CG2 
618  N N   . VAL A 48  ? 0.1773 0.1502 0.1973 -0.0034 0.0364  -0.0170 293 VAL A N   
619  C CA  . VAL A 48  ? 0.2121 0.1843 0.2393 0.0021  0.0449  -0.0205 293 VAL A CA  
620  C C   . VAL A 48  ? 0.2074 0.1824 0.2303 -0.0021 0.0444  -0.0213 293 VAL A C   
621  O O   . VAL A 48  ? 0.2185 0.1987 0.2490 -0.0074 0.0373  -0.0157 293 VAL A O   
622  C CB  . VAL A 48  ? 0.2497 0.2244 0.3006 0.0064  0.0457  -0.0158 293 VAL A CB  
623  C CG1 . VAL A 48  ? 0.2645 0.2395 0.3237 0.0107  0.0534  -0.0185 293 VAL A CG1 
624  C CG2 . VAL A 48  ? 0.2512 0.2222 0.3056 0.0112  0.0477  -0.0159 293 VAL A CG2 
634  N N   . ILE A 49  ? 0.2097 0.1815 0.2212 0.0002  0.0520  -0.0280 294 ILE A N   
635  C CA  . ILE A 49  ? 0.2157 0.1893 0.2205 -0.0039 0.0521  -0.0296 294 ILE A CA  
636  C C   . ILE A 49  ? 0.2173 0.1933 0.2375 -0.0007 0.0566  -0.0289 294 ILE A C   
637  O O   . ILE A 49  ? 0.2553 0.2284 0.2807 0.0061  0.0646  -0.0322 294 ILE A O   
638  C CB  . ILE A 49  ? 0.2258 0.1945 0.2096 -0.0034 0.0577  -0.0371 294 ILE A CB  
639  C CG1 . ILE A 49  ? 0.2556 0.2217 0.2250 -0.0058 0.0540  -0.0381 294 ILE A CG1 
640  C CG2 . ILE A 49  ? 0.2165 0.1868 0.1923 -0.0084 0.0572  -0.0386 294 ILE A CG2 
641  C CD1 . ILE A 49  ? 0.2430 0.2049 0.1926 -0.0053 0.0587  -0.0448 294 ILE A CD1 
653  N N   . LYS A 50  ? 0.1778 0.1588 0.2049 -0.0058 0.0517  -0.0249 295 LYS A N   
654  C CA  . LYS A 50  ? 0.1872 0.1712 0.2302 -0.0034 0.0551  -0.0236 295 LYS A CA  
655  C C   . LYS A 50  ? 0.2128 0.1970 0.2480 -0.0058 0.0584  -0.0272 295 LYS A C   
656  O O   . LYS A 50  ? 0.2334 0.2192 0.2801 -0.0033 0.0628  -0.0272 295 LYS A O   
657  C CB  . LYS A 50  ? 0.2059 0.1964 0.2678 -0.0067 0.0469  -0.0153 295 LYS A CB  
658  C CG  . LYS A 50  ? 0.2627 0.2536 0.3370 -0.0038 0.0438  -0.0107 295 LYS A CG  
659  C CD  . LYS A 50  ? 0.3274 0.3156 0.4134 0.0047  0.0525  -0.0131 295 LYS A CD  
660  C CE  . LYS A 50  ? 0.3923 0.3815 0.4940 0.0075  0.0495  -0.0079 295 LYS A CE  
661  N NZ  . LYS A 50  ? 0.4165 0.4013 0.5248 0.0157  0.0590  -0.0117 295 LYS A NZ  
675  N N   . SER A 51  ? 0.2153 0.1979 0.2319 -0.0108 0.0566  -0.0300 296 SER A N   
676  C CA  . SER A 51  ? 0.2155 0.1981 0.2246 -0.0133 0.0597  -0.0333 296 SER A CA  
677  C C   . SER A 51  ? 0.1963 0.1740 0.1828 -0.0148 0.0625  -0.0393 296 SER A C   
678  O O   . SER A 51  ? 0.2078 0.1835 0.1836 -0.0163 0.0592  -0.0397 296 SER A O   
679  C CB  . SER A 51  ? 0.2516 0.2401 0.2664 -0.0211 0.0518  -0.0281 296 SER A CB  
680  O OG  . SER A 51  ? 0.2493 0.2383 0.2516 -0.0281 0.0443  -0.0266 296 SER A OG  
686  N N   . ALA A 52  ? 0.2442 0.1770 0.2204 -0.0274 0.0052  0.0203  297 ALA A N   
687  C CA  . ALA A 52  ? 0.2651 0.1947 0.2359 -0.0218 0.0022  0.0148  297 ALA A CA  
688  C C   . ALA A 52  ? 0.2539 0.1933 0.2251 -0.0197 0.0005  0.0112  297 ALA A C   
689  O O   . ALA A 52  ? 0.2557 0.2008 0.2267 -0.0150 -0.0001 0.0080  297 ALA A O   
690  C CB  . ALA A 52  ? 0.2635 0.1772 0.2264 -0.0214 -0.0011 0.0123  297 ALA A CB  
696  N N   . GLU A 53  ? 0.2108 0.1526 0.1829 -0.0230 -0.0001 0.0115  298 GLU A N   
697  C CA  . GLU A 53  ? 0.2352 0.1866 0.2079 -0.0212 -0.0016 0.0083  298 GLU A CA  
698  C C   . GLU A 53  ? 0.2194 0.1862 0.1989 -0.0201 0.0012  0.0098  298 GLU A C   
699  O O   . GLU A 53  ? 0.2323 0.2066 0.2115 -0.0162 0.0000  0.0062  298 GLU A O   
700  C CB  . GLU A 53  ? 0.3367 0.2883 0.3098 -0.0256 -0.0024 0.0092  298 GLU A CB  
701  C CG  . GLU A 53  ? 0.5143 0.4533 0.4800 -0.0252 -0.0063 0.0057  298 GLU A CG  
702  C CD  . GLU A 53  ? 0.6420 0.5806 0.6080 -0.0298 -0.0070 0.0069  298 GLU A CD  
703  O OE1 . GLU A 53  ? 0.6481 0.5978 0.6202 -0.0327 -0.0048 0.0097  298 GLU A OE1 
704  O OE2 . GLU A 53  ? 0.7081 0.6352 0.6684 -0.0306 -0.0099 0.0050  298 GLU A OE2 
711  N N   . GLU A 54  ? 0.2060 0.1777 0.1916 -0.0235 0.0048  0.0150  299 GLU A N   
712  C CA  . GLU A 54  ? 0.1820 0.1681 0.1743 -0.0226 0.0075  0.0168  299 GLU A CA  
713  C C   . GLU A 54  ? 0.1695 0.1562 0.1604 -0.0173 0.0074  0.0144  299 GLU A C   
714  O O   . GLU A 54  ? 0.1651 0.1626 0.1583 -0.0142 0.0075  0.0125  299 GLU A O   
715  C CB  . GLU A 54  ? 0.1879 0.1775 0.1866 -0.0275 0.0113  0.0231  299 GLU A CB  
716  C CG  . GLU A 54  ? 0.1932 0.1982 0.1992 -0.0274 0.0141  0.0253  299 GLU A CG  
717  C CD  . GLU A 54  ? 0.2100 0.2188 0.2226 -0.0321 0.0179  0.0315  299 GLU A CD  
718  O OE1 . GLU A 54  ? 0.2177 0.2394 0.2366 -0.0326 0.0202  0.0336  299 GLU A OE1 
719  O OE2 . GLU A 54  ? 0.2164 0.2155 0.2277 -0.0350 0.0186  0.0341  299 GLU A OE2 
726  N N   . GLN A 55  ? 0.1755 0.1509 0.1627 -0.0161 0.0070  0.0145  300 GLN A N   
727  C CA  . GLN A 55  ? 0.1957 0.1704 0.1810 -0.0109 0.0066  0.0120  300 GLN A CA  
728  C C   . GLN A 55  ? 0.2042 0.1799 0.1850 -0.0061 0.0033  0.0060  300 GLN A C   
729  O O   . GLN A 55  ? 0.2135 0.1973 0.1957 -0.0022 0.0035  0.0041  300 GLN A O   
730  C CB  . GLN A 55  ? 0.2278 0.1885 0.2090 -0.0108 0.0064  0.0129  300 GLN A CB  
731  C CG  . GLN A 55  ? 0.2545 0.2087 0.2301 -0.0052 0.0041  0.0085  300 GLN A CG  
732  C CD  . GLN A 55  ? 0.2586 0.2229 0.2379 -0.0014 0.0057  0.0082  300 GLN A CD  
733  O OE1 . GLN A 55  ? 0.2432 0.2177 0.2291 -0.0032 0.0089  0.0119  300 GLN A OE1 
734  N NE2 . GLN A 55  ? 0.2760 0.2372 0.2507 0.0038  0.0034  0.0036  300 GLN A NE2 
743  N N   . ASN A 56  ? 0.2070 0.1744 0.1821 -0.0063 0.0001  0.0029  301 ASN A N   
744  C CA  . ASN A 56  ? 0.2196 0.1874 0.1900 -0.0016 -0.0032 -0.0030 301 ASN A CA  
745  C C   . ASN A 56  ? 0.2050 0.1883 0.1800 -0.0007 -0.0026 -0.0039 301 ASN A C   
746  O O   . ASN A 56  ? 0.1964 0.1855 0.1706 0.0040  -0.0035 -0.0074 301 ASN A O   
747  C CB  . ASN A 56  ? 0.2592 0.2159 0.2232 -0.0025 -0.0067 -0.0058 301 ASN A CB  
748  C CG  . ASN A 56  ? 0.2974 0.2381 0.2561 -0.0028 -0.0078 -0.0056 301 ASN A CG  
749  O OD1 . ASN A 56  ? 0.2976 0.2349 0.2562 -0.0010 -0.0067 -0.0047 301 ASN A OD1 
750  N ND2 . ASN A 56  ? 0.3148 0.2458 0.2692 -0.0052 -0.0099 -0.0063 301 ASN A ND2 
757  N N   . PHE A 57  ? 0.2086 0.1990 0.1884 -0.0053 -0.0008 -0.0006 302 PHE A N   
758  C CA  . PHE A 57  ? 0.1981 0.2036 0.1827 -0.0050 -0.0000 -0.0009 302 PHE A CA  
759  C C   . PHE A 57  ? 0.2099 0.2261 0.1993 -0.0024 0.0024  0.0001  302 PHE A C   
760  O O   . PHE A 57  ? 0.2152 0.2403 0.2051 0.0013  0.0016  -0.0030 302 PHE A O   
761  C CB  . PHE A 57  ? 0.1874 0.1971 0.1766 -0.0110 0.0018  0.0033  302 PHE A CB  
762  C CG  . PHE A 57  ? 0.2101 0.2362 0.2063 -0.0120 0.0040  0.0051  302 PHE A CG  
763  C CD1 . PHE A 57  ? 0.2182 0.2521 0.2139 -0.0104 0.0022  0.0017  302 PHE A CD1 
764  C CD2 . PHE A 57  ? 0.2230 0.2564 0.2262 -0.0150 0.0077  0.0104  302 PHE A CD2 
765  C CE1 . PHE A 57  ? 0.2138 0.2629 0.2160 -0.0115 0.0043  0.0035  302 PHE A CE1 
766  C CE2 . PHE A 57  ? 0.2187 0.2671 0.2284 -0.0162 0.0097  0.0123  302 PHE A CE2 
767  C CZ  . PHE A 57  ? 0.2057 0.2619 0.2149 -0.0145 0.0080  0.0088  302 PHE A CZ  
777  N N   . LEU A 58  ? 0.2006 0.2163 0.1937 -0.0042 0.0053  0.0045  303 LEU A N   
778  C CA  . LEU A 58  ? 0.1700 0.1957 0.1680 -0.0020 0.0077  0.0059  303 LEU A CA  
779  C C   . LEU A 58  ? 0.1697 0.1920 0.1634 0.0040  0.0058  0.0016  303 LEU A C   
780  O O   . LEU A 58  ? 0.1585 0.1909 0.1544 0.0074  0.0062  0.0000  303 LEU A O   
781  C CB  . LEU A 58  ? 0.1549 0.1797 0.1575 -0.0054 0.0111  0.0116  303 LEU A CB  
782  C CG  . LEU A 58  ? 0.1804 0.2101 0.1884 -0.0113 0.0134  0.0163  303 LEU A CG  
783  C CD1 . LEU A 58  ? 0.1909 0.2154 0.2014 -0.0148 0.0161  0.0214  303 LEU A CD1 
784  C CD2 . LEU A 58  ? 0.1824 0.2285 0.1969 -0.0117 0.0151  0.0175  303 LEU A CD2 
796  N N   . GLN A 59  ? 0.1861 0.1942 0.1735 0.0053  0.0039  -0.0001 304 GLN A N   
797  C CA  . GLN A 59  ? 0.1843 0.1884 0.1675 0.0109  0.0022  -0.0041 304 GLN A CA  
798  C C   . GLN A 59  ? 0.1928 0.2017 0.1730 0.0150  -0.0006 -0.0096 304 GLN A C   
799  O O   . GLN A 59  ? 0.2292 0.2430 0.2092 0.0196  -0.0011 -0.0122 304 GLN A O   
800  C CB  . GLN A 59  ? 0.2147 0.2021 0.1914 0.0111  0.0004  -0.0050 304 GLN A CB  
801  C CG  . GLN A 59  ? 0.2433 0.2258 0.2163 0.0165  -0.0008 -0.0081 304 GLN A CG  
802  C CD  . GLN A 59  ? 0.2390 0.2246 0.2164 0.0165  0.0023  -0.0044 304 GLN A CD  
803  O OE1 . GLN A 59  ? 0.2279 0.2090 0.2072 0.0128  0.0043  -0.0001 304 GLN A OE1 
804  N NE2 . GLN A 59  ? 0.2383 0.2315 0.2171 0.0209  0.0025  -0.0061 304 GLN A NE2 
813  N N   . LEU A 60  ? 0.1945 0.2019 0.1723 0.0135  -0.0026 -0.0115 305 LEU A N   
814  C CA  . LEU A 60  ? 0.2396 0.2515 0.2144 0.0173  -0.0054 -0.0167 305 LEU A CA  
815  C C   . LEU A 60  ? 0.2023 0.2308 0.1829 0.0189  -0.0036 -0.0165 305 LEU A C   
816  O O   . LEU A 60  ? 0.2182 0.2511 0.1971 0.0237  -0.0052 -0.0206 305 LEU A O   
817  C CB  . LEU A 60  ? 0.3571 0.3659 0.3295 0.0145  -0.0074 -0.0180 305 LEU A CB  
818  C CG  . LEU A 60  ? 0.5092 0.5022 0.4736 0.0153  -0.0108 -0.0211 305 LEU A CG  
819  C CD1 . LEU A 60  ? 0.5792 0.5682 0.5426 0.0107  -0.0118 -0.0202 305 LEU A CD1 
820  C CD2 . LEU A 60  ? 0.5551 0.5469 0.5141 0.0212  -0.0141 -0.0274 305 LEU A CD2 
832  N N   . GLN A 61  ? 0.1736 0.2113 0.1612 0.0148  -0.0005 -0.0117 306 GLN A N   
833  C CA  . GLN A 61  ? 0.1912 0.2451 0.1848 0.0158  0.0013  -0.0110 306 GLN A CA  
834  C C   . GLN A 61  ? 0.1815 0.2393 0.1771 0.0194  0.0027  -0.0108 306 GLN A C   
835  O O   . GLN A 61  ? 0.1674 0.2348 0.1642 0.0231  0.0025  -0.0132 306 GLN A O   
836  C CB  . GLN A 61  ? 0.2162 0.2779 0.2165 0.0103  0.0043  -0.0058 306 GLN A CB  
837  C CG  . GLN A 61  ? 0.2291 0.3076 0.2364 0.0105  0.0067  -0.0040 306 GLN A CG  
838  C CD  . GLN A 61  ? 0.2596 0.3469 0.2659 0.0135  0.0047  -0.0083 306 GLN A CD  
839  O OE1 . GLN A 61  ? 0.2355 0.3170 0.2362 0.0150  0.0017  -0.0125 306 GLN A OE1 
840  N NE2 . GLN A 61  ? 0.3027 0.4045 0.3147 0.0144  0.0066  -0.0073 306 GLN A NE2 
849  N N   . SER A 62  ? 0.2054 0.2562 0.2015 0.0182  0.0044  -0.0076 307 SER A N   
850  C CA  A SER A 62  ? 0.2375 0.2908 0.2350 0.0217  0.0055  -0.0075 307 SER A CA  
851  C CA  B SER A 62  ? 0.2418 0.2951 0.2393 0.0217  0.0055  -0.0075 307 SER A CA  
852  C C   . SER A 62  ? 0.2205 0.2687 0.2118 0.0276  0.0024  -0.0132 307 SER A C   
853  O O   . SER A 62  ? 0.1860 0.2418 0.1787 0.0315  0.0026  -0.0149 307 SER A O   
854  C CB  A SER A 62  ? 0.3221 0.3675 0.3208 0.0193  0.0076  -0.0032 307 SER A CB  
855  C CB  B SER A 62  ? 0.3320 0.3771 0.3305 0.0193  0.0075  -0.0033 307 SER A CB  
856  O OG  A SER A 62  ? 0.3742 0.4042 0.3668 0.0183  0.0057  -0.0042 307 SER A OG  
857  O OG  B SER A 62  ? 0.3865 0.4324 0.3854 0.0231  0.0082  -0.0036 307 SER A OG  
866  N N   . SER A 63  ? 0.2284 0.2638 0.2129 0.0282  -0.0005 -0.0162 308 SER A N   
867  C CA  . SER A 63  ? 0.2796 0.3091 0.2577 0.0337  -0.0036 -0.0218 308 SER A CA  
868  C C   . SER A 63  ? 0.2605 0.3006 0.2386 0.0371  -0.0051 -0.0259 308 SER A C   
869  O O   . SER A 63  ? 0.2554 0.3002 0.2332 0.0418  -0.0056 -0.0285 308 SER A O   
870  C CB  . SER A 63  ? 0.3519 0.3657 0.3229 0.0330  -0.0065 -0.0239 308 SER A CB  
871  O OG  . SER A 63  ? 0.4008 0.4089 0.3656 0.0382  -0.0097 -0.0294 308 SER A OG  
877  N N   . ARG A 64  ? 0.2547 0.2989 0.2333 0.0347  -0.0058 -0.0264 309 ARG A N   
878  C CA  . ARG A 64  ? 0.2910 0.3445 0.2691 0.0378  -0.0075 -0.0305 309 ARG A CA  
879  C C   . ARG A 64  ? 0.2560 0.3253 0.2405 0.0392  -0.0051 -0.0292 309 ARG A C   
880  O O   . ARG A 64  ? 0.2550 0.3313 0.2386 0.0435  -0.0064 -0.0330 309 ARG A O   
881  C CB  . ARG A 64  ? 0.3709 0.4256 0.3487 0.0343  -0.0084 -0.0306 309 ARG A CB  
882  C CG  . ARG A 64  ? 0.5139 0.5542 0.4846 0.0339  -0.0116 -0.0334 309 ARG A CG  
883  C CD  . ARG A 64  ? 0.6470 0.6897 0.6182 0.0300  -0.0122 -0.0330 309 ARG A CD  
884  N NE  . ARG A 64  ? 0.7096 0.7596 0.6878 0.0247  -0.0087 -0.0272 309 ARG A NE  
885  C CZ  . ARG A 64  ? 0.6857 0.7319 0.6648 0.0195  -0.0082 -0.0243 309 ARG A CZ  
886  N NH1 . ARG A 64  ? 0.7238 0.7590 0.6971 0.0187  -0.0110 -0.0266 309 ARG A NH1 
887  N NH2 . ARG A 64  ? 0.5895 0.6432 0.5754 0.0151  -0.0049 -0.0190 309 ARG A NH2 
901  N N   . SER A 65  ? 0.2300 0.3057 0.2211 0.0354  -0.0017 -0.0238 310 SER A N   
902  C CA  . SER A 65  ? 0.2185 0.3095 0.2161 0.0363  0.0007  -0.0220 310 SER A CA  
903  C C   . SER A 65  ? 0.2013 0.2922 0.1993 0.0401  0.0014  -0.0222 310 SER A C   
904  O O   . SER A 65  ? 0.1865 0.2894 0.1889 0.0419  0.0029  -0.0216 310 SER A O   
905  C CB  . SER A 65  ? 0.2498 0.3476 0.2544 0.0307  0.0040  -0.0161 310 SER A CB  
906  O OG  . SER A 65  ? 0.2841 0.3747 0.2900 0.0285  0.0059  -0.0121 310 SER A OG  
912  N N   . ASN A 66  ? 0.2214 0.2718 0.1924 0.0529  0.0558  0.0013  311 ASN A N   
913  C CA  . ASN A 66  ? 0.2431 0.2927 0.2151 0.0527  0.0531  0.0067  311 ASN A CA  
914  C C   . ASN A 66  ? 0.2252 0.2775 0.2005 0.0494  0.0485  0.0096  311 ASN A C   
915  O O   . ASN A 66  ? 0.2385 0.2968 0.2174 0.0497  0.0454  0.0154  311 ASN A O   
916  C CB  . ASN A 66  ? 0.2681 0.3249 0.2423 0.0564  0.0535  0.0115  311 ASN A CB  
917  C CG  . ASN A 66  ? 0.2685 0.3221 0.2423 0.0569  0.0519  0.0160  311 ASN A CG  
918  O OD1 . ASN A 66  ? 0.2570 0.3038 0.2293 0.0545  0.0501  0.0160  311 ASN A OD1 
919  N ND2 . ASN A 66  ? 0.2560 0.3147 0.2312 0.0601  0.0526  0.0199  311 ASN A ND2 
926  N N   . ARG A 67  ? 0.2023 0.2500 0.1763 0.0462  0.0479  0.0056  312 ARG A N   
927  C CA  . ARG A 67  ? 0.2236 0.2730 0.2004 0.0428  0.0436  0.0078  312 ARG A CA  
928  C C   . ARG A 67  ? 0.2263 0.2653 0.1997 0.0401  0.0426  0.0059  312 ARG A C   
929  O O   . ARG A 67  ? 0.2592 0.2909 0.2289 0.0391  0.0452  0.0003  312 ARG A O   
930  C CB  . ARG A 67  ? 0.2757 0.3300 0.2545 0.0413  0.0434  0.0050  312 ARG A CB  
931  C CG  . ARG A 67  ? 0.3302 0.3961 0.3133 0.0434  0.0430  0.0081  312 ARG A CG  
932  C CD  . ARG A 67  ? 0.3603 0.4301 0.3448 0.0419  0.0432  0.0048  312 ARG A CD  
933  N NE  . ARG A 67  ? 0.3787 0.4598 0.3677 0.0436  0.0423  0.0081  312 ARG A NE  
934  C CZ  . ARG A 67  ? 0.4552 0.5419 0.4466 0.0424  0.0416  0.0068  312 ARG A CZ  
935  N NH1 . ARG A 67  ? 0.4864 0.5684 0.4763 0.0395  0.0416  0.0021  312 ARG A NH1 
936  N NH2 . ARG A 67  ? 0.5033 0.6004 0.4988 0.0442  0.0409  0.0101  312 ARG A NH2 
950  N N   . PHE A 68  ? 0.1917 0.2302 0.1666 0.0387  0.0389  0.0104  313 PHE A N   
951  C CA  . PHE A 68  ? 0.2049 0.2344 0.1772 0.0358  0.0373  0.0090  313 PHE A CA  
952  C C   . PHE A 68  ? 0.2027 0.2330 0.1763 0.0324  0.0354  0.0067  313 PHE A C   
953  O O   . PHE A 68  ? 0.2153 0.2535 0.1932 0.0315  0.0324  0.0098  313 PHE A O   
954  C CB  . PHE A 68  ? 0.2377 0.2670 0.2113 0.0356  0.0338  0.0148  313 PHE A CB  
955  C CG  . PHE A 68  ? 0.2860 0.3142 0.2582 0.0388  0.0356  0.0172  313 PHE A CG  
956  C CD1 . PHE A 68  ? 0.2948 0.3140 0.2622 0.0397  0.0388  0.0138  313 PHE A CD1 
957  C CD2 . PHE A 68  ? 0.3254 0.3617 0.3014 0.0410  0.0342  0.0228  313 PHE A CD2 
958  C CE1 . PHE A 68  ? 0.3291 0.3472 0.2952 0.0428  0.0405  0.0159  313 PHE A CE1 
959  C CE2 . PHE A 68  ? 0.3672 0.4026 0.3420 0.0440  0.0359  0.0249  313 PHE A CE2 
960  C CZ  . PHE A 68  ? 0.3593 0.3855 0.3290 0.0449  0.0391  0.0215  313 PHE A CZ  
970  N N   . THR A 69  ? 0.2063 0.2283 0.1761 0.0305  0.0370  0.0013  314 THR A N   
971  C CA  . THR A 69  ? 0.1893 0.2124 0.1601 0.0278  0.0364  -0.0021 314 THR A CA  
972  C C   . THR A 69  ? 0.1872 0.2010 0.1550 0.0246  0.0354  -0.0049 314 THR A C   
973  O O   . THR A 69  ? 0.1915 0.1965 0.1549 0.0249  0.0379  -0.0081 314 THR A O   
974  C CB  . THR A 69  ? 0.1899 0.2140 0.1594 0.0292  0.0405  -0.0071 314 THR A CB  
975  O OG1 . THR A 69  ? 0.1862 0.2191 0.1584 0.0324  0.0415  -0.0045 314 THR A OG1 
976  C CG2 . THR A 69  ? 0.1926 0.2181 0.1632 0.0265  0.0398  -0.0106 314 THR A CG2 
984  N N   . TRP A 70  ? 0.1834 0.1993 0.1535 0.0216  0.0317  -0.0037 315 TRP A N   
985  C CA  . TRP A 70  ? 0.1842 0.1917 0.1517 0.0184  0.0305  -0.0064 315 TRP A CA  
986  C C   . TRP A 70  ? 0.1864 0.1887 0.1509 0.0175  0.0339  -0.0131 315 TRP A C   
987  O O   . TRP A 70  ? 0.1914 0.1987 0.1573 0.0180  0.0355  -0.0154 315 TRP A O   
988  C CB  . TRP A 70  ? 0.1796 0.1910 0.1505 0.0154  0.0258  -0.0038 315 TRP A CB  
989  C CG  . TRP A 70  ? 0.2051 0.2202 0.1789 0.0154  0.0218  0.0027  315 TRP A CG  
990  C CD1 . TRP A 70  ? 0.2269 0.2516 0.2059 0.0151  0.0185  0.0071  315 TRP A CD1 
991  C CD2 . TRP A 70  ? 0.2146 0.2238 0.1864 0.0156  0.0204  0.0054  315 TRP A CD2 
992  N NE1 . TRP A 70  ? 0.2230 0.2481 0.2034 0.0151  0.0151  0.0125  315 TRP A NE1 
993  C CE2 . TRP A 70  ? 0.2188 0.2345 0.1949 0.0154  0.0162  0.0115  315 TRP A CE2 
994  C CE3 . TRP A 70  ? 0.2323 0.2315 0.1993 0.0159  0.0223  0.0033  315 TRP A CE3 
995  C CZ2 . TRP A 70  ? 0.2304 0.2427 0.2059 0.0155  0.0138  0.0154  315 TRP A CZ2 
996  C CZ3 . TRP A 70  ? 0.2471 0.2431 0.2135 0.0161  0.0199  0.0073  315 TRP A CZ3 
997  C CH2 . TRP A 70  ? 0.2405 0.2430 0.2111 0.0159  0.0158  0.0132  315 TRP A CH2 
1008 N N   . MET A 71  ? 0.1885 0.1807 0.1489 0.0159  0.0347  -0.0161 316 MET A N   
1009 C CA  . MET A 71  ? 0.1920 0.1785 0.1498 0.0140  0.0368  -0.0222 316 MET A CA  
1010 C C   . MET A 71  ? 0.1943 0.1760 0.1515 0.0105  0.0337  -0.0224 316 MET A C   
1011 O O   . MET A 71  ? 0.1874 0.1688 0.1455 0.0095  0.0301  -0.0182 316 MET A O   
1012 C CB  . MET A 71  ? 0.2153 0.1934 0.1683 0.0157  0.0413  -0.0263 316 MET A CB  
1013 C CG  . MET A 71  ? 0.2235 0.1921 0.1729 0.0151  0.0409  -0.0257 316 MET A CG  
1014 S SD  . MET A 71  ? 0.2444 0.2044 0.1887 0.0175  0.0462  -0.0298 316 MET A SD  
1015 C CE  . MET A 71  ? 0.2846 0.2512 0.2308 0.0215  0.0466  -0.0249 316 MET A CE  
1025 N N   . GLY A 72  ? 0.2320 0.2094 0.1874 0.0084  0.0350  -0.0275 317 GLY A N   
1026 C CA  . GLY A 72  ? 0.2600 0.2333 0.2150 0.0049  0.0321  -0.0280 317 GLY A CA  
1027 C C   . GLY A 72  ? 0.2552 0.2175 0.2057 0.0041  0.0327  -0.0294 317 GLY A C   
1028 O O   . GLY A 72  ? 0.2570 0.2125 0.2047 0.0022  0.0341  -0.0339 317 GLY A O   
1032 N N   . LEU A 73  ? 0.2249 0.1852 0.1746 0.0055  0.0316  -0.0255 318 LEU A N   
1033 C CA  . LEU A 73  ? 0.2148 0.1647 0.1600 0.0052  0.0323  -0.0265 318 LEU A CA  
1034 C C   . LEU A 73  ? 0.2147 0.1647 0.1608 0.0051  0.0285  -0.0209 318 LEU A C   
1035 O O   . LEU A 73  ? 0.2101 0.1666 0.1588 0.0070  0.0274  -0.0166 318 LEU A O   
1036 C CB  . LEU A 73  ? 0.2411 0.1870 0.1832 0.0080  0.0370  -0.0289 318 LEU A CB  
1037 C CG  . LEU A 73  ? 0.2680 0.2031 0.2053 0.0083  0.0386  -0.0302 318 LEU A CG  
1038 C CD1 . LEU A 73  ? 0.2514 0.1789 0.1858 0.0057  0.0397  -0.0353 318 LEU A CD1 
1039 C CD2 . LEU A 73  ? 0.2962 0.2300 0.2316 0.0116  0.0427  -0.0314 318 LEU A CD2 
1051 N N   . SER A 74  ? 0.2315 0.1740 0.1750 0.0029  0.0266  -0.0211 319 SER A N   
1052 C CA  . SER A 74  ? 0.2674 0.2094 0.2116 0.0026  0.0227  -0.0160 319 SER A CA  
1053 C C   . SER A 74  ? 0.2542 0.1852 0.1938 0.0015  0.0227  -0.0175 319 SER A C   
1054 O O   . SER A 74  ? 0.2788 0.2030 0.2151 0.0002  0.0251  -0.0224 319 SER A O   
1055 C CB  . SER A 74  ? 0.3133 0.2621 0.2618 0.0004  0.0179  -0.0127 319 SER A CB  
1056 O OG  . SER A 74  ? 0.3210 0.2648 0.2680 -0.0028 0.0164  -0.0154 319 SER A OG  
1062 N N   . ASP A 75  ? 0.2583 0.1873 0.1974 0.0020  0.0201  -0.0132 320 ASP A N   
1063 C CA  . ASP A 75  ? 0.2846 0.2041 0.2199 0.0005  0.0188  -0.0136 320 ASP A CA  
1064 C C   . ASP A 75  ? 0.3307 0.2528 0.2685 -0.0014 0.0133  -0.0092 320 ASP A C   
1065 O O   . ASP A 75  ? 0.3375 0.2544 0.2734 -0.0016 0.0111  -0.0067 320 ASP A O   
1066 C CB  . ASP A 75  ? 0.2904 0.2032 0.2220 0.0028  0.0210  -0.0131 320 ASP A CB  
1067 C CG  . ASP A 75  ? 0.3016 0.2188 0.2353 0.0048  0.0187  -0.0073 320 ASP A CG  
1068 O OD1 . ASP A 75  ? 0.3129 0.2393 0.2512 0.0049  0.0162  -0.0038 320 ASP A OD1 
1069 O OD2 . ASP A 75  ? 0.3141 0.2256 0.2449 0.0062  0.0194  -0.0061 320 ASP A OD2 
1074 N N   . LEU A 76  ? 0.4535 0.3231 0.3084 0.0190  -0.0024 -0.0313 321 LEU A N   
1075 C CA  . LEU A 76  ? 0.4446 0.3058 0.2911 0.0234  -0.0164 -0.0373 321 LEU A CA  
1076 C C   . LEU A 76  ? 0.4582 0.3151 0.2885 0.0288  -0.0103 -0.0471 321 LEU A C   
1077 O O   . LEU A 76  ? 0.4847 0.3303 0.2951 0.0321  -0.0182 -0.0490 321 LEU A O   
1078 C CB  . LEU A 76  ? 0.3993 0.2679 0.2701 0.0236  -0.0259 -0.0414 321 LEU A CB  
1079 C CG  . LEU A 76  ? 0.3842 0.2533 0.2671 0.0194  -0.0380 -0.0325 321 LEU A CG  
1080 C CD1 . LEU A 76  ? 0.3692 0.2498 0.2807 0.0185  -0.0412 -0.0363 321 LEU A CD1 
1081 C CD2 . LEU A 76  ? 0.4091 0.2657 0.2769 0.0213  -0.0545 -0.0306 321 LEU A CD2 
1093 N N   . ASN A 77  ? 0.4368 0.3025 0.2753 0.0299  0.0035  -0.0538 322 ASN A N   
1094 C CA  . ASN A 77  ? 0.5425 0.4048 0.3671 0.0352  0.0090  -0.0640 322 ASN A CA  
1095 C C   . ASN A 77  ? 0.5160 0.3691 0.3135 0.0360  0.0165  -0.0611 322 ASN A C   
1096 O O   . ASN A 77  ? 0.4964 0.3407 0.2749 0.0404  0.0136  -0.0666 322 ASN A O   
1097 C CB  . ASN A 77  ? 0.6598 0.5343 0.5012 0.0360  0.0219  -0.0718 322 ASN A CB  
1098 C CG  . ASN A 77  ? 0.7731 0.6551 0.6380 0.0370  0.0137  -0.0778 322 ASN A CG  
1099 O OD1 . ASN A 77  ? 0.8246 0.7012 0.6900 0.0385  -0.0018 -0.0788 322 ASN A OD1 
1100 N ND2 . ASN A 77  ? 0.8032 0.6976 0.6879 0.0361  0.0240  -0.0819 322 ASN A ND2 
1107 N N   . GLN A 78  ? 0.4908 0.3460 0.2858 0.0318  0.0262  -0.0526 323 GLN A N   
1108 C CA  . GLN A 78  ? 0.5218 0.3686 0.2915 0.0322  0.0335  -0.0492 323 GLN A CA  
1109 C C   . GLN A 78  ? 0.4792 0.3241 0.2466 0.0269  0.0332  -0.0364 323 GLN A C   
1110 O O   . GLN A 78  ? 0.4540 0.3081 0.2357 0.0229  0.0424  -0.0317 323 GLN A O   
1111 C CB  . GLN A 78  ? 0.6444 0.4970 0.4115 0.0336  0.0516  -0.0550 323 GLN A CB  
1112 C CG  . GLN A 78  ? 0.7897 0.6324 0.5287 0.0364  0.0573  -0.0565 323 GLN A CG  
1113 C CD  . GLN A 78  ? 0.8720 0.7209 0.6097 0.0383  0.0744  -0.0636 323 GLN A CD  
1114 O OE1 . GLN A 78  ? 0.9128 0.7594 0.6426 0.0431  0.0757  -0.0733 323 GLN A OE1 
1115 N NE2 . GLN A 78  ? 0.8752 0.7318 0.6201 0.0345  0.0877  -0.0586 323 GLN A NE2 
1124 N N   . GLU A 79  ? 0.5102 0.3435 0.2600 0.0269  0.0226  -0.0306 324 GLU A N   
1125 C CA  . GLU A 79  ? 0.5142 0.3448 0.2609 0.0221  0.0208  -0.0183 324 GLU A CA  
1126 C C   . GLU A 79  ? 0.4706 0.3052 0.2129 0.0193  0.0380  -0.0139 324 GLU A C   
1127 O O   . GLU A 79  ? 0.4749 0.3060 0.2002 0.0218  0.0478  -0.0177 324 GLU A O   
1128 C CB  . GLU A 79  ? 0.5425 0.3585 0.2657 0.0234  0.0090  -0.0143 324 GLU A CB  
1129 C CG  . GLU A 79  ? 0.5134 0.3251 0.2303 0.0187  0.0068  -0.0014 324 GLU A CG  
1130 C CD  . GLU A 79  ? 0.4521 0.2702 0.1916 0.0145  -0.0015 0.0050  324 GLU A CD  
1131 O OE1 . GLU A 79  ? 0.4146 0.2351 0.1679 0.0159  -0.0123 0.0005  324 GLU A OE1 
1132 O OE2 . GLU A 79  ? 0.4275 0.2486 0.1712 0.0097  0.0031  0.0145  324 GLU A OE2 
1139 N N   . GLY A 80  ? 0.4105 0.2524 0.1682 0.0141  0.0413  -0.0058 325 GLY A N   
1140 C CA  . GLY A 80  ? 0.4115 0.2581 0.1676 0.0110  0.0572  -0.0008 325 GLY A CA  
1141 C C   . GLY A 80  ? 0.4492 0.3088 0.2229 0.0107  0.0712  -0.0067 325 GLY A C   
1142 O O   . GLY A 80  ? 0.4406 0.3060 0.2182 0.0073  0.0838  -0.0019 325 GLY A O   
1146 N N   . THR A 81  ? 0.4926 0.3568 0.2772 0.0143  0.0695  -0.0170 326 THR A N   
1147 C CA  . THR A 81  ? 0.4963 0.3733 0.2993 0.0142  0.0818  -0.0231 326 THR A CA  
1148 C C   . THR A 81  ? 0.4244 0.3105 0.2550 0.0120  0.0742  -0.0227 326 THR A C   
1149 O O   . THR A 81  ? 0.3902 0.2750 0.2272 0.0146  0.0622  -0.0282 326 THR A O   
1150 C CB  . THR A 81  ? 0.5442 0.4205 0.3399 0.0197  0.0864  -0.0352 326 THR A CB  
1151 O OG1 . THR A 81  ? 0.5611 0.4292 0.3311 0.0215  0.0940  -0.0351 326 THR A OG1 
1152 C CG2 . THR A 81  ? 0.5721 0.4618 0.3876 0.0196  0.0989  -0.0414 326 THR A CG2 
1160 N N   . TRP A 82  ? 0.3979 0.2929 0.2446 0.0071  0.0811  -0.0163 327 TRP A N   
1161 C CA  . TRP A 82  ? 0.3573 0.2610 0.2301 0.0044  0.0742  -0.0144 327 TRP A CA  
1162 C C   . TRP A 82  ? 0.3385 0.2546 0.2316 0.0054  0.0831  -0.0229 327 TRP A C   
1163 O O   . TRP A 82  ? 0.3504 0.2721 0.2434 0.0051  0.0986  -0.0251 327 TRP A O   
1164 C CB  . TRP A 82  ? 0.3244 0.2306 0.2035 -0.0016 0.0757  -0.0023 327 TRP A CB  
1165 C CG  . TRP A 82  ? 0.3239 0.2183 0.1871 -0.0025 0.0632  0.0057  327 TRP A CG  
1166 C CD1 . TRP A 82  ? 0.3652 0.2496 0.2041 -0.0024 0.0655  0.0106  327 TRP A CD1 
1167 C CD2 . TRP A 82  ? 0.3231 0.2144 0.1936 -0.0035 0.0461  0.0093  327 TRP A CD2 
1168 N NE1 . TRP A 82  ? 0.4045 0.2797 0.2350 -0.0033 0.0508  0.0171  327 TRP A NE1 
1169 C CE2 . TRP A 82  ? 0.3827 0.2619 0.2322 -0.0039 0.0387  0.0163  327 TRP A CE2 
1170 C CE3 . TRP A 82  ? 0.2910 0.1886 0.1839 -0.0041 0.0364  0.0073  327 TRP A CE3 
1171 C CZ2 . TRP A 82  ? 0.3879 0.2614 0.2384 -0.0050 0.0224  0.0215  327 TRP A CZ2 
1172 C CZ3 . TRP A 82  ? 0.2898 0.1817 0.1836 -0.0051 0.0200  0.0123  327 TRP A CZ3 
1173 C CH2 . TRP A 82  ? 0.3352 0.2151 0.2076 -0.0055 0.0131  0.0194  327 TRP A CH2 
1184 N N   . GLN A 83  ? 0.3015 0.2217 0.2117 0.0066  0.0731  -0.0279 328 GLN A N   
1185 C CA  . GLN A 83  ? 0.3051 0.2360 0.2339 0.0083  0.0791  -0.0371 328 GLN A CA  
1186 C C   . GLN A 83  ? 0.2561 0.1949 0.2111 0.0058  0.0701  -0.0356 328 GLN A C   
1187 O O   . GLN A 83  ? 0.2530 0.1866 0.2088 0.0057  0.0547  -0.0330 328 GLN A O   
1188 C CB  . GLN A 83  ? 0.4167 0.3427 0.3355 0.0145  0.0757  -0.0485 328 GLN A CB  
1189 C CG  . GLN A 83  ? 0.5481 0.4846 0.4834 0.0167  0.0837  -0.0587 328 GLN A CG  
1190 C CD  . GLN A 83  ? 0.6927 0.6242 0.6187 0.0227  0.0791  -0.0698 328 GLN A CD  
1191 O OE1 . GLN A 83  ? 0.7719 0.7093 0.7139 0.0247  0.0752  -0.0772 328 GLN A OE1 
1192 N NE2 . GLN A 83  ? 0.7230 0.6437 0.6234 0.0257  0.0795  -0.0709 328 GLN A NE2 
1201 N N   . TRP A 84  ? 0.2534 0.2050 0.2297 0.0037  0.0798  -0.0373 329 TRP A N   
1202 C CA  . TRP A 84  ? 0.2223 0.1826 0.2248 0.0016  0.0726  -0.0371 329 TRP A CA  
1203 C C   . TRP A 84  ? 0.2157 0.1764 0.2250 0.0061  0.0639  -0.0477 329 TRP A C   
1204 O O   . TRP A 84  ? 0.2355 0.1932 0.2335 0.0107  0.0676  -0.0564 329 TRP A O   
1205 C CB  . TRP A 84  ? 0.2115 0.1853 0.2340 -0.0019 0.0862  -0.0361 329 TRP A CB  
1206 C CG  . TRP A 84  ? 0.2087 0.1831 0.2270 -0.0066 0.0948  -0.0257 329 TRP A CG  
1207 C CD1 . TRP A 84  ? 0.2313 0.2057 0.2374 -0.0071 0.1100  -0.0245 329 TRP A CD1 
1208 C CD2 . TRP A 84  ? 0.1845 0.1594 0.2107 -0.0116 0.0885  -0.0148 329 TRP A CD2 
1209 N NE1 . TRP A 84  ? 0.2129 0.1879 0.2191 -0.0121 0.1135  -0.0134 329 TRP A NE1 
1210 C CE2 . TRP A 84  ? 0.1983 0.1736 0.2167 -0.0149 0.1005  -0.0074 329 TRP A CE2 
1211 C CE3 . TRP A 84  ? 0.1697 0.1449 0.2089 -0.0136 0.0738  -0.0106 329 TRP A CE3 
1212 C CZ2 . TRP A 84  ? 0.2181 0.1941 0.2413 -0.0200 0.0984  0.0037  329 TRP A CZ2 
1213 C CZ3 . TRP A 84  ? 0.1576 0.1335 0.2016 -0.0188 0.0718  0.0005  329 TRP A CZ3 
1214 C CH2 . TRP A 84  ? 0.1913 0.1676 0.2273 -0.0219 0.0841  0.0075  329 TRP A CH2 
1225 N N   . VAL A 85  ? 0.2153 0.1802 0.2437 0.0047  0.0523  -0.0470 330 VAL A N   
1226 C CA  . VAL A 85  ? 0.2580 0.2225 0.2926 0.0089  0.0423  -0.0563 330 VAL A CA  
1227 C C   . VAL A 85  ? 0.2899 0.2642 0.3376 0.0112  0.0526  -0.0665 330 VAL A C   
1228 O O   . VAL A 85  ? 0.3298 0.3033 0.3794 0.0154  0.0468  -0.0756 330 VAL A O   
1229 C CB  . VAL A 85  ? 0.2665 0.2328 0.3183 0.0068  0.0268  -0.0528 330 VAL A CB  
1230 C CG1 . VAL A 85  ? 0.3010 0.2558 0.3373 0.0056  0.0144  -0.0446 330 VAL A CG1 
1231 C CG2 . VAL A 85  ? 0.2282 0.2072 0.3052 0.0017  0.0324  -0.0479 330 VAL A CG2 
1241 N N   . ASP A 86  ? 0.1886 0.2629 0.2708 -0.0240 0.0743  -0.0192 331 ASP A N   
1242 C CA  . ASP A 86  ? 0.2061 0.2788 0.2994 -0.0262 0.0755  -0.0199 331 ASP A CA  
1243 C C   . ASP A 86  ? 0.2449 0.3097 0.3329 -0.0299 0.0828  -0.0206 331 ASP A C   
1244 O O   . ASP A 86  ? 0.2682 0.3314 0.3643 -0.0321 0.0848  -0.0218 331 ASP A O   
1245 C CB  . ASP A 86  ? 0.2239 0.2974 0.3266 -0.0269 0.0738  -0.0198 331 ASP A CB  
1246 C CG  . ASP A 86  ? 0.2404 0.3070 0.3365 -0.0299 0.0794  -0.0194 331 ASP A CG  
1247 O OD1 . ASP A 86  ? 0.2370 0.2973 0.3190 -0.0312 0.0844  -0.0191 331 ASP A OD1 
1248 O OD2 . ASP A 86  ? 0.2465 0.3130 0.3501 -0.0309 0.0785  -0.0192 331 ASP A OD2 
1253 N N   . GLY A 87  ? 0.2749 0.3346 0.3488 -0.0304 0.0865  -0.0201 332 GLY A N   
1254 C CA  . GLY A 87  ? 0.2951 0.3468 0.3623 -0.0339 0.0928  -0.0206 332 GLY A CA  
1255 C C   . GLY A 87  ? 0.2930 0.3354 0.3520 -0.0377 0.0982  -0.0201 332 GLY A C   
1256 O O   . GLY A 87  ? 0.3537 0.3880 0.4031 -0.0407 0.1033  -0.0203 332 GLY A O   
1260 N N   . SER A 88  ? 0.2201 0.2627 0.2818 -0.0379 0.0972  -0.0195 333 SER A N   
1261 C CA  . SER A 88  ? 0.2245 0.2565 0.2773 -0.0422 0.1026  -0.0187 333 SER A CA  
1262 C C   . SER A 88  ? 0.2350 0.2574 0.2654 -0.0415 0.1041  -0.0172 333 SER A C   
1263 O O   . SER A 88  ? 0.2522 0.2778 0.2756 -0.0363 0.0980  -0.0165 333 SER A O   
1264 C CB  . SER A 88  ? 0.2640 0.2980 0.3248 -0.0420 0.0996  -0.0181 333 SER A CB  
1265 O OG  . SER A 88  ? 0.3007 0.3389 0.3578 -0.0357 0.0899  -0.0167 333 SER A OG  
1271 N N   . PRO A 89  ? 0.2466 0.2561 0.2638 -0.0459 0.1096  -0.0164 334 PRO A N   
1272 C CA  . PRO A 89  ? 0.2777 0.2756 0.2713 -0.0440 0.1076  -0.0146 334 PRO A CA  
1273 C C   . PRO A 89  ? 0.2600 0.2515 0.2432 -0.0399 0.0988  -0.0125 334 PRO A C   
1274 O O   . PRO A 89  ? 0.2694 0.2608 0.2606 -0.0410 0.0968  -0.0120 334 PRO A O   
1275 C CB  . PRO A 89  ? 0.3341 0.3200 0.3186 -0.0510 0.1169  -0.0147 334 PRO A CB  
1276 C CG  . PRO A 89  ? 0.3320 0.3198 0.3313 -0.0556 0.1198  -0.0156 334 PRO A CG  
1277 C CD  . PRO A 89  ? 0.2804 0.2846 0.3025 -0.0520 0.1152  -0.0173 334 PRO A CD  
1285 N N   . LEU A 90  ? 0.2694 0.2558 0.2350 -0.0352 0.0936  -0.0114 335 LEU A N   
1286 C CA  . LEU A 90  ? 0.2736 0.2523 0.2265 -0.0311 0.0852  -0.0098 335 LEU A CA  
1287 C C   . LEU A 90  ? 0.3133 0.2748 0.2529 -0.0360 0.0890  -0.0084 335 LEU A C   
1288 O O   . LEU A 90  ? 0.3660 0.3175 0.2921 -0.0393 0.0947  -0.0081 335 LEU A O   
1289 C CB  . LEU A 90  ? 0.2666 0.2444 0.2036 -0.0247 0.0788  -0.0097 335 LEU A CB  
1290 C CG  . LEU A 90  ? 0.2724 0.2429 0.1959 -0.0195 0.0693  -0.0087 335 LEU A CG  
1291 C CD1 . LEU A 90  ? 0.2596 0.2409 0.1980 -0.0163 0.0625  -0.0089 335 LEU A CD1 
1292 C CD2 . LEU A 90  ? 0.2893 0.2581 0.1956 -0.0136 0.0640  -0.0093 335 LEU A CD2 
1304 N N   . LEU A 91  ? 0.2681 0.2260 0.2108 -0.0368 0.0861  -0.0074 336 LEU A N   
1305 C CA  . LEU A 91  ? 0.2939 0.2353 0.2249 -0.0425 0.0899  -0.0061 336 LEU A CA  
1306 C C   . LEU A 91  ? 0.3093 0.2352 0.2154 -0.0387 0.0833  -0.0043 336 LEU A C   
1307 O O   . LEU A 91  ? 0.2965 0.2260 0.1981 -0.0312 0.0742  -0.0043 336 LEU A O   
1308 C CB  . LEU A 91  ? 0.3436 0.2875 0.2890 -0.0453 0.0896  -0.0059 336 LEU A CB  
1309 C CG  . LEU A 91  ? 0.3705 0.3284 0.3408 -0.0494 0.0960  -0.0080 336 LEU A CG  
1310 C CD1 . LEU A 91  ? 0.3761 0.3372 0.3600 -0.0506 0.0936  -0.0078 336 LEU A CD1 
1311 C CD2 . LEU A 91  ? 0.3931 0.3467 0.3629 -0.0573 0.1075  -0.0093 336 LEU A CD2 
1323 N N   . PRO A 92  ? 0.3590 0.2674 0.2483 -0.0439 0.0876  -0.0031 337 PRO A N   
1324 C CA  . PRO A 92  ? 0.3966 0.2883 0.2606 -0.0404 0.0811  -0.0015 337 PRO A CA  
1325 C C   . PRO A 92  ? 0.3591 0.2487 0.2216 -0.0353 0.0710  -0.0006 337 PRO A C   
1326 O O   . PRO A 92  ? 0.3510 0.2327 0.1965 -0.0291 0.0628  -0.0002 337 PRO A O   
1327 C CB  . PRO A 92  ? 0.4817 0.3551 0.3311 -0.0488 0.0888  -0.0003 337 PRO A CB  
1328 C CG  . PRO A 92  ? 0.4920 0.3742 0.3570 -0.0559 0.0999  -0.0019 337 PRO A CG  
1329 C CD  . PRO A 92  ? 0.4214 0.3246 0.3132 -0.0534 0.0988  -0.0035 337 PRO A CD  
1337 N N   . SER A 93  ? 0.3496 0.2461 0.2294 -0.0377 0.0715  -0.0006 338 SER A N   
1338 C CA  . SER A 93  ? 0.3469 0.2430 0.2280 -0.0333 0.0623  0.0002  338 SER A CA  
1339 C C   . SER A 93  ? 0.3077 0.2175 0.1943 -0.0240 0.0531  -0.0010 338 SER A C   
1340 O O   . SER A 93  ? 0.3272 0.2371 0.2132 -0.0192 0.0444  -0.0007 338 SER A O   
1341 C CB  . SER A 93  ? 0.3666 0.2696 0.2678 -0.0383 0.0661  0.0001  338 SER A CB  
1342 O OG  . SER A 93  ? 0.3714 0.2928 0.2951 -0.0393 0.0709  -0.0017 338 SER A OG  
1348 N N   . PHE A 94  ? 0.2805 0.2020 0.1724 -0.0217 0.0547  -0.0025 339 PHE A N   
1349 C CA  . PHE A 94  ? 0.2683 0.2032 0.1645 -0.0137 0.0465  -0.0039 339 PHE A CA  
1350 C C   . PHE A 94  ? 0.2856 0.2149 0.1619 -0.0083 0.0422  -0.0047 339 PHE A C   
1351 O O   . PHE A 94  ? 0.3147 0.2544 0.1921 -0.0014 0.0346  -0.0062 339 PHE A O   
1352 C CB  . PHE A 94  ? 0.2791 0.2332 0.1974 -0.0147 0.0506  -0.0054 339 PHE A CB  
1353 C CG  . PHE A 94  ? 0.3074 0.2711 0.2473 -0.0170 0.0512  -0.0054 339 PHE A CG  
1354 C CD1 . PHE A 94  ? 0.3466 0.3057 0.2943 -0.0243 0.0589  -0.0048 339 PHE A CD1 
1355 C CD2 . PHE A 94  ? 0.3115 0.2891 0.2638 -0.0119 0.0439  -0.0062 339 PHE A CD2 
1356 C CE1 . PHE A 94  ? 0.3419 0.3103 0.3101 -0.0262 0.0593  -0.0051 339 PHE A CE1 
1357 C CE2 . PHE A 94  ? 0.3268 0.3130 0.2989 -0.0139 0.0441  -0.0062 339 PHE A CE2 
1358 C CZ  . PHE A 94  ? 0.3246 0.3062 0.3048 -0.0209 0.0518  -0.0057 339 PHE A CZ  
1368 N N   . LYS A 95  ? 0.2842 0.1978 0.1423 -0.0113 0.0464  -0.0038 340 LYS A N   
1369 C CA  . LYS A 95  ? 0.3413 0.2500 0.1808 -0.0060 0.0425  -0.0047 340 LYS A CA  
1370 C C   . LYS A 95  ? 0.3064 0.2111 0.1340 0.0019  0.0305  -0.0054 340 LYS A C   
1371 O O   . LYS A 95  ? 0.3084 0.2179 0.1283 0.0085  0.0248  -0.0074 340 LYS A O   
1372 C CB  . LYS A 95  ? 0.4771 0.3677 0.2981 -0.0110 0.0490  -0.0035 340 LYS A CB  
1373 C CG  . LYS A 95  ? 0.6199 0.5153 0.4513 -0.0184 0.0609  -0.0035 340 LYS A CG  
1374 C CD  . LYS A 95  ? 0.7159 0.6155 0.5413 -0.0164 0.0633  -0.0048 340 LYS A CD  
1375 C CE  . LYS A 95  ? 0.7028 0.6239 0.5448 -0.0116 0.0604  -0.0068 340 LYS A CE  
1376 N NZ  . LYS A 95  ? 0.6782 0.6034 0.5138 -0.0096 0.0623  -0.0081 340 LYS A NZ  
1390 N N   . GLN A 96  ? 0.3015 0.1987 0.1284 0.0017  0.0265  -0.0042 341 GLN A N   
1391 C CA  . GLN A 96  ? 0.3305 0.2241 0.1469 0.0094  0.0148  -0.0051 341 GLN A CA  
1392 C C   . GLN A 96  ? 0.3141 0.2276 0.1418 0.0167  0.0076  -0.0078 341 GLN A C   
1393 O O   . GLN A 96  ? 0.3312 0.2436 0.1483 0.0241  -0.0022 -0.0096 341 GLN A O   
1394 C CB  . GLN A 96  ? 0.3394 0.2256 0.1589 0.0073  0.0123  -0.0034 341 GLN A CB  
1395 C CG  . GLN A 96  ? 0.3311 0.2324 0.1763 0.0036  0.0161  -0.0030 341 GLN A CG  
1396 C CD  . GLN A 96  ? 0.3684 0.2629 0.2164 0.0021  0.0130  -0.0015 341 GLN A CD  
1397 O OE1 . GLN A 96  ? 0.3881 0.2773 0.2267 0.0079  0.0034  -0.0018 341 GLN A OE1 
1398 N NE2 . GLN A 96  ? 0.3882 0.2831 0.2494 -0.0057 0.0210  -0.0000 341 GLN A NE2 
1407 N N   . TYR A 97  ? 0.2881 0.2198 0.1370 0.0146  0.0118  -0.0084 342 TYR A N   
1408 C CA  . TYR A 97  ? 0.2520 0.2023 0.1124 0.0205  0.0048  -0.0108 342 TYR A CA  
1409 C C   . TYR A 97  ? 0.2588 0.2170 0.1122 0.0253  0.0024  -0.0135 342 TYR A C   
1410 O O   . TYR A 97  ? 0.2477 0.2189 0.1048 0.0311  -0.0052 -0.0161 342 TYR A O   
1411 C CB  . TYR A 97  ? 0.2285 0.1941 0.1140 0.0164  0.0093  -0.0104 342 TYR A CB  
1412 C CG  . TYR A 97  ? 0.2395 0.1992 0.1336 0.0121  0.0109  -0.0082 342 TYR A CG  
1413 C CD1 . TYR A 97  ? 0.2825 0.2359 0.1708 0.0157  0.0029  -0.0079 342 TYR A CD1 
1414 C CD2 . TYR A 97  ? 0.2282 0.1886 0.1356 0.0046  0.0203  -0.0067 342 TYR A CD2 
1415 C CE1 . TYR A 97  ? 0.2985 0.2463 0.1941 0.0117  0.0043  -0.0060 342 TYR A CE1 
1416 C CE2 . TYR A 97  ? 0.2525 0.2081 0.1678 0.0006  0.0220  -0.0051 342 TYR A CE2 
1417 C CZ  . TYR A 97  ? 0.2735 0.2226 0.1827 0.0040  0.0141  -0.0046 342 TYR A CZ  
1418 O OH  . TYR A 97  ? 0.2551 0.1993 0.1718 -0.0003 0.0158  -0.0029 342 TYR A OH  
1428 N N   . TRP A 98  ? 0.2487 0.1984 0.1684 0.0051  0.0221  -0.0136 343 TRP A N   
1429 C CA  . TRP A 98  ? 0.2552 0.2048 0.1688 0.0027  0.0160  -0.0122 343 TRP A CA  
1430 C C   . TRP A 98  ? 0.2422 0.1957 0.1553 0.0035  0.0103  -0.0061 343 TRP A C   
1431 O O   . TRP A 98  ? 0.2626 0.2151 0.1716 0.0038  0.0114  -0.0031 343 TRP A O   
1432 C CB  . TRP A 98  ? 0.2829 0.2253 0.1818 -0.0013 0.0174  -0.0145 343 TRP A CB  
1433 C CG  . TRP A 98  ? 0.2841 0.2222 0.1815 -0.0027 0.0219  -0.0205 343 TRP A CG  
1434 C CD1 . TRP A 98  ? 0.2928 0.2255 0.1850 -0.0037 0.0285  -0.0240 343 TRP A CD1 
1435 C CD2 . TRP A 98  ? 0.2858 0.2244 0.1869 -0.0032 0.0206  -0.0237 343 TRP A CD2 
1436 N NE1 . TRP A 98  ? 0.2875 0.2174 0.1798 -0.0048 0.0312  -0.0291 343 TRP A NE1 
1437 C CE2 . TRP A 98  ? 0.2835 0.2168 0.1812 -0.0045 0.0265  -0.0291 343 TRP A CE2 
1438 C CE3 . TRP A 98  ? 0.2798 0.2226 0.1863 -0.0028 0.0150  -0.0227 343 TRP A CE3 
1439 C CZ2 . TRP A 98  ? 0.3103 0.2424 0.2100 -0.0053 0.0269  -0.0334 343 TRP A CZ2 
1440 C CZ3 . TRP A 98  ? 0.2703 0.2118 0.1788 -0.0037 0.0155  -0.0270 343 TRP A CZ3 
1441 C CH2 . TRP A 98  ? 0.2953 0.2315 0.2004 -0.0049 0.0214  -0.0322 343 TRP A CH2 
1452 N N   . ASN A 99  ? 0.2324 0.1900 0.1492 0.0036  0.0042  -0.0041 344 ASN A N   
1453 C CA  . ASN A 99  ? 0.2453 0.2066 0.1611 0.0041  -0.0016 0.0016  344 ASN A CA  
1454 C C   . ASN A 99  ? 0.2838 0.2401 0.1848 0.0009  -0.0027 0.0031  344 ASN A C   
1455 O O   . ASN A 99  ? 0.2924 0.2430 0.1840 -0.0021 -0.0005 -0.0003 344 ASN A O   
1456 C CB  . ASN A 99  ? 0.2490 0.2151 0.1704 0.0043  -0.0080 0.0029  344 ASN A CB  
1457 C CG  . ASN A 99  ? 0.2567 0.2286 0.1933 0.0077  -0.0078 0.0026  344 ASN A CG  
1458 O OD1 . ASN A 99  ? 0.2651 0.2393 0.2089 0.0106  -0.0050 0.0038  344 ASN A OD1 
1459 N ND2 . ASN A 99  ? 0.2510 0.2252 0.1923 0.0075  -0.0110 0.0010  344 ASN A ND2 
1466 N N   . ARG A 100 ? 0.2918 0.2503 0.1907 0.0016  -0.0063 0.0084  345 ARG A N   
1467 C CA  . ARG A 100 ? 0.3531 0.3076 0.2384 -0.0010 -0.0079 0.0106  345 ARG A CA  
1468 C C   . ARG A 100 ? 0.3303 0.2824 0.2074 -0.0046 -0.0116 0.0089  345 ARG A C   
1469 O O   . ARG A 100 ? 0.3376 0.2939 0.2195 -0.0045 -0.0166 0.0097  345 ARG A O   
1470 C CB  . ARG A 100 ? 0.5011 0.4597 0.3875 0.0007  -0.0124 0.0169  345 ARG A CB  
1471 C CG  . ARG A 100 ? 0.6860 0.6407 0.5586 -0.0017 -0.0143 0.0197  345 ARG A CG  
1472 C CD  . ARG A 100 ? 0.8351 0.7938 0.7095 0.0004  -0.0181 0.0260  345 ARG A CD  
1473 N NE  . ARG A 100 ? 0.9808 0.9356 0.8419 -0.0018 -0.0198 0.0287  345 ARG A NE  
1474 C CZ  . ARG A 100 ? 1.0977 1.0547 0.9573 -0.0004 -0.0230 0.0342  345 ARG A CZ  
1475 N NH1 . ARG A 100 ? 1.1463 1.0994 0.9933 -0.0026 -0.0243 0.0364  345 ARG A NH1 
1476 N NH2 . ARG A 100 ? 1.1328 1.0959 1.0035 0.0030  -0.0248 0.0375  345 ARG A NH2 
1490 N N   . GLY A 101 ? 0.3355 0.2809 0.2002 -0.0077 -0.0090 0.0066  346 GLY A N   
1491 C CA  . GLY A 101 ? 0.3557 0.2980 0.2113 -0.0114 -0.0117 0.0046  346 GLY A CA  
1492 C C   . GLY A 101 ? 0.3452 0.2852 0.2030 -0.0126 -0.0087 -0.0013 346 GLY A C   
1493 O O   . GLY A 101 ? 0.3536 0.2900 0.2031 -0.0159 -0.0101 -0.0036 346 GLY A O   
1497 N N   . GLU A 102 ? 0.3166 0.2584 0.1853 -0.0099 -0.0046 -0.0038 347 GLU A N   
1498 C CA  . GLU A 102 ? 0.3062 0.2462 0.1782 -0.0106 -0.0017 -0.0093 347 GLU A CA  
1499 C C   . GLU A 102 ? 0.3153 0.2491 0.1827 -0.0113 0.0059  -0.0135 347 GLU A C   
1500 O O   . GLU A 102 ? 0.2995 0.2322 0.1656 -0.0102 0.0094  -0.0122 347 GLU A O   
1501 C CB  . GLU A 102 ? 0.3163 0.2624 0.2038 -0.0070 -0.0021 -0.0095 347 GLU A CB  
1502 C CG  . GLU A 102 ? 0.3514 0.3042 0.2451 -0.0057 -0.0092 -0.0049 347 GLU A CG  
1503 C CD  . GLU A 102 ? 0.3570 0.3100 0.2461 -0.0084 -0.0147 -0.0052 347 GLU A CD  
1504 O OE1 . GLU A 102 ? 0.3657 0.3137 0.2482 -0.0113 -0.0129 -0.0096 347 GLU A OE1 
1505 O OE2 . GLU A 102 ? 0.3247 0.2828 0.2169 -0.0078 -0.0208 -0.0012 347 GLU A OE2 
1512 N N   . PRO A 103 ? 0.3499 0.2798 0.2150 -0.0131 0.0088  -0.0187 348 PRO A N   
1513 C CA  . PRO A 103 ? 0.3706 0.3009 0.2361 -0.0148 0.0055  -0.0210 348 PRO A CA  
1514 C C   . PRO A 103 ? 0.3698 0.2964 0.2219 -0.0188 0.0017  -0.0201 348 PRO A C   
1515 O O   . PRO A 103 ? 0.3686 0.2893 0.2098 -0.0211 0.0048  -0.0214 348 PRO A O   
1516 C CB  . PRO A 103 ? 0.3845 0.3109 0.2519 -0.0149 0.0116  -0.0270 348 PRO A CB  
1517 C CG  . PRO A 103 ? 0.3879 0.3094 0.2488 -0.0154 0.0176  -0.0282 348 PRO A CG  
1518 C CD  . PRO A 103 ? 0.3735 0.2982 0.2360 -0.0135 0.0164  -0.0230 348 PRO A CD  
1526 N N   . ASN A 104 ? 0.3359 0.2659 0.1886 -0.0197 -0.0048 -0.0182 349 ASN A N   
1527 C CA  . ASN A 104 ? 0.3463 0.2736 0.1865 -0.0234 -0.0090 -0.0168 349 ASN A CA  
1528 C C   . ASN A 104 ? 0.3588 0.2834 0.1947 -0.0265 -0.0105 -0.0205 349 ASN A C   
1529 O O   . ASN A 104 ? 0.3595 0.2811 0.1840 -0.0301 -0.0135 -0.0200 349 ASN A O   
1530 C CB  . ASN A 104 ? 0.3411 0.2741 0.1829 -0.0225 -0.0159 -0.0108 349 ASN A CB  
1531 C CG  . ASN A 104 ? 0.3476 0.2876 0.2020 -0.0203 -0.0202 -0.0095 349 ASN A CG  
1532 O OD1 . ASN A 104 ? 0.3047 0.2451 0.1659 -0.0197 -0.0186 -0.0132 349 ASN A OD1 
1533 N ND2 . ASN A 104 ? 0.3749 0.3204 0.2322 -0.0190 -0.0257 -0.0042 349 ASN A ND2 
1540 N N   . ASN A 105 ? 0.3757 0.3010 0.2200 -0.0254 -0.0083 -0.0243 350 ASN A N   
1541 C CA  . ASN A 105 ? 0.3911 0.3129 0.2314 -0.0282 -0.0086 -0.0286 350 ASN A CA  
1542 C C   . ASN A 105 ? 0.4279 0.3519 0.2639 -0.0307 -0.0159 -0.0262 350 ASN A C   
1543 O O   . ASN A 105 ? 0.4788 0.3985 0.3058 -0.0343 -0.0167 -0.0288 350 ASN A O   
1544 C CB  . ASN A 105 ? 0.3966 0.3102 0.2251 -0.0313 -0.0033 -0.0327 350 ASN A CB  
1545 C CG  . ASN A 105 ? 0.4072 0.3171 0.2346 -0.0332 -0.0015 -0.0381 350 ASN A CG  
1546 O OD1 . ASN A 105 ? 0.3957 0.3080 0.2339 -0.0309 0.0000  -0.0403 350 ASN A OD1 
1547 N ND2 . ASN A 105 ? 0.4290 0.3328 0.2435 -0.0374 -0.0014 -0.0402 350 ASN A ND2 
1554 N N   . VAL A 106 ? 0.4018 0.3325 0.2442 -0.0288 -0.0213 -0.0214 351 VAL A N   
1555 C CA  . VAL A 106 ? 0.4585 0.3915 0.2961 -0.0312 -0.0285 -0.0187 351 VAL A CA  
1556 C C   . VAL A 106 ? 0.4353 0.3693 0.2774 -0.0321 -0.0305 -0.0217 351 VAL A C   
1557 O O   . VAL A 106 ? 0.4015 0.3401 0.2560 -0.0292 -0.0307 -0.0219 351 VAL A O   
1558 C CB  . VAL A 106 ? 0.5240 0.4638 0.3670 -0.0288 -0.0335 -0.0126 351 VAL A CB  
1559 C CG1 . VAL A 106 ? 0.5083 0.4542 0.3669 -0.0244 -0.0332 -0.0117 351 VAL A CG1 
1560 C CG2 . VAL A 106 ? 0.5833 0.5258 0.4221 -0.0312 -0.0409 -0.0100 351 VAL A CG2 
1570 N N   . GLY A 107 ? 0.4777 0.4074 0.3095 -0.0362 -0.0319 -0.0240 352 GLY A N   
1571 C CA  . GLY A 107 ? 0.5219 0.4513 0.3565 -0.0375 -0.0330 -0.0275 352 GLY A CA  
1572 C C   . GLY A 107 ? 0.5378 0.4634 0.3767 -0.0365 -0.0265 -0.0329 352 GLY A C   
1573 O O   . GLY A 107 ? 0.5712 0.4981 0.4168 -0.0361 -0.0271 -0.0353 352 GLY A O   
1577 N N   . GLU A 108 ? 0.4881 0.4090 0.3233 -0.0362 -0.0203 -0.0350 353 GLU A N   
1578 C CA  . GLU A 108 ? 0.4793 0.3966 0.3185 -0.0350 -0.0137 -0.0400 353 GLU A CA  
1579 C C   . GLU A 108 ? 0.3997 0.3226 0.2544 -0.0302 -0.0124 -0.0394 353 GLU A C   
1580 O O   . GLU A 108 ? 0.3979 0.3243 0.2610 -0.0291 -0.0148 -0.0401 353 GLU A O   
1581 C CB  . GLU A 108 ? 0.6141 0.5270 0.4489 -0.0379 -0.0130 -0.0447 353 GLU A CB  
1582 C CG  . GLU A 108 ? 0.7764 0.6815 0.5956 -0.0423 -0.0110 -0.0471 353 GLU A CG  
1583 C CD  . GLU A 108 ? 0.8472 0.7475 0.6630 -0.0416 -0.0039 -0.0492 353 GLU A CD  
1584 O OE1 . GLU A 108 ? 0.8448 0.7459 0.6699 -0.0384 0.0008  -0.0512 353 GLU A OE1 
1585 O OE2 . GLU A 108 ? 0.8748 0.7706 0.6786 -0.0444 -0.0030 -0.0489 353 GLU A OE2 
1592 N N   . GLU A 109 ? 0.3669 0.2904 0.2252 -0.0275 -0.0085 -0.0383 354 GLU A N   
1593 C CA  . GLU A 109 ? 0.3405 0.2694 0.2131 -0.0230 -0.0070 -0.0374 354 GLU A CA  
1594 C C   . GLU A 109 ? 0.3480 0.2730 0.2220 -0.0216 0.0008  -0.0412 354 GLU A C   
1595 O O   . GLU A 109 ? 0.3435 0.2658 0.2118 -0.0219 0.0041  -0.0405 354 GLU A O   
1596 C CB  . GLU A 109 ? 0.3098 0.2443 0.1864 -0.0208 -0.0104 -0.0316 354 GLU A CB  
1597 C CG  . GLU A 109 ? 0.3166 0.2550 0.1910 -0.0223 -0.0182 -0.0276 354 GLU A CG  
1598 C CD  . GLU A 109 ? 0.3356 0.2797 0.2144 -0.0199 -0.0215 -0.0218 354 GLU A CD  
1599 O OE1 . GLU A 109 ? 0.3308 0.2734 0.2054 -0.0194 -0.0192 -0.0200 354 GLU A OE1 
1600 O OE2 . GLU A 109 ? 0.3482 0.2983 0.2349 -0.0184 -0.0265 -0.0190 354 GLU A OE2 
1607 N N   . ASP A 110 ? 0.3254 0.2505 0.2076 -0.0199 0.0039  -0.0449 355 ASP A N   
1608 C CA  . ASP A 110 ? 0.3248 0.2458 0.2075 -0.0191 0.0113  -0.0491 355 ASP A CA  
1609 C C   . ASP A 110 ? 0.3077 0.2331 0.2047 -0.0146 0.0143  -0.0496 355 ASP A C   
1610 O O   . ASP A 110 ? 0.3360 0.2585 0.2349 -0.0135 0.0204  -0.0533 355 ASP A O   
1611 C CB  . ASP A 110 ? 0.3485 0.2634 0.2251 -0.0218 0.0136  -0.0544 355 ASP A CB  
1612 C CG  . ASP A 110 ? 0.3477 0.2573 0.2090 -0.0265 0.0117  -0.0545 355 ASP A CG  
1613 O OD1 . ASP A 110 ? 0.3176 0.2268 0.1717 -0.0277 0.0103  -0.0512 355 ASP A OD1 
1614 O OD2 . ASP A 110 ? 0.3438 0.2493 0.2000 -0.0291 0.0118  -0.0580 355 ASP A OD2 
1619 N N   . CYS A 111 ? 0.2677 0.2000 0.1748 -0.0118 0.0102  -0.0459 356 CYS A N   
1620 C CA  . CYS A 111 ? 0.2455 0.1824 0.1664 -0.0076 0.0123  -0.0461 356 CYS A CA  
1621 C C   . CYS A 111 ? 0.2342 0.1765 0.1602 -0.0052 0.0102  -0.0409 356 CYS A C   
1622 O O   . CYS A 111 ? 0.2372 0.1820 0.1601 -0.0062 0.0047  -0.0368 356 CYS A O   
1623 C CB  . CYS A 111 ? 0.2569 0.1969 0.1861 -0.0066 0.0092  -0.0472 356 CYS A CB  
1624 S SG  . CYS A 111 ? 0.3541 0.2874 0.2788 -0.0089 0.0129  -0.0539 356 CYS A SG  
1629 N N   . ALA A 112 ? 0.2267 0.1710 0.1608 -0.0020 0.0145  -0.0412 357 ALA A N   
1630 C CA  . ALA A 112 ? 0.2268 0.1756 0.1655 0.0003  0.0135  -0.0366 357 ALA A CA  
1631 C C   . ALA A 112 ? 0.2278 0.1838 0.1804 0.0038  0.0106  -0.0345 357 ALA A C   
1632 O O   . ALA A 112 ? 0.1987 0.1559 0.1598 0.0056  0.0124  -0.0374 357 ALA A O   
1633 C CB  . ALA A 112 ? 0.2333 0.1801 0.1720 0.0016  0.0200  -0.0379 357 ALA A CB  
1639 N N   . GLU A 113 ? 0.2631 0.2236 0.2179 0.0049  0.0064  -0.0293 358 GLU A N   
1640 C CA  . GLU A 113 ? 0.2542 0.2218 0.2217 0.0081  0.0032  -0.0265 358 GLU A CA  
1641 C C   . GLU A 113 ? 0.2389 0.2100 0.2099 0.0104  0.0034  -0.0222 358 GLU A C   
1642 O O   . GLU A 113 ? 0.2693 0.2380 0.2316 0.0090  0.0038  -0.0202 358 GLU A O   
1643 C CB  . GLU A 113 ? 0.2602 0.2307 0.2275 0.0069  -0.0040 -0.0240 358 GLU A CB  
1644 C CG  . GLU A 113 ? 0.2779 0.2475 0.2346 0.0044  -0.0080 -0.0203 358 GLU A CG  
1645 C CD  . GLU A 113 ? 0.2906 0.2654 0.2503 0.0044  -0.0153 -0.0162 358 GLU A CD  
1646 O OE1 . GLU A 113 ? 0.3076 0.2816 0.2584 0.0020  -0.0192 -0.0135 358 GLU A OE1 
1647 O OE2 . GLU A 113 ? 0.2826 0.2622 0.2532 0.0067  -0.0173 -0.0157 358 GLU A OE2 
1654 N N   . PHE A 114 ? 0.1959 0.1724 0.1794 0.0139  0.0033  -0.0210 359 PHE A N   
1655 C CA  . PHE A 114 ? 0.2048 0.1858 0.1930 0.0161  0.0019  -0.0163 359 PHE A CA  
1656 C C   . PHE A 114 ? 0.2151 0.1996 0.2023 0.0155  -0.0053 -0.0118 359 PHE A C   
1657 O O   . PHE A 114 ? 0.2305 0.2177 0.2227 0.0156  -0.0090 -0.0120 359 PHE A O   
1658 C CB  . PHE A 114 ? 0.1966 0.1823 0.1988 0.0200  0.0041  -0.0165 359 PHE A CB  
1659 C CG  . PHE A 114 ? 0.2147 0.1977 0.2192 0.0209  0.0110  -0.0209 359 PHE A CG  
1660 C CD1 . PHE A 114 ? 0.2284 0.2099 0.2309 0.0215  0.0156  -0.0206 359 PHE A CD1 
1661 C CD2 . PHE A 114 ? 0.1977 0.1798 0.2067 0.0213  0.0130  -0.0253 359 PHE A CD2 
1662 C CE1 . PHE A 114 ? 0.2312 0.2105 0.2363 0.0224  0.0220  -0.0247 359 PHE A CE1 
1663 C CE2 . PHE A 114 ? 0.1982 0.1780 0.2095 0.0222  0.0192  -0.0294 359 PHE A CE2 
1664 C CZ  . PHE A 114 ? 0.2195 0.1980 0.2290 0.0227  0.0238  -0.0291 359 PHE A CZ  
1674 N N   . SER A 115 ? 0.2257 0.2101 0.2065 0.0147  -0.0071 -0.0078 360 SER A N   
1675 C CA  . SER A 115 ? 0.2521 0.2396 0.2306 0.0139  -0.0139 -0.0035 360 SER A CA  
1676 C C   . SER A 115 ? 0.2630 0.2531 0.2424 0.0156  -0.0146 0.0015  360 SER A C   
1677 O O   . SER A 115 ? 0.2591 0.2457 0.2297 0.0144  -0.0127 0.0024  360 SER A O   
1678 C CB  . SER A 115 ? 0.2800 0.2628 0.2453 0.0098  -0.0161 -0.0042 360 SER A CB  
1679 O OG  . SER A 115 ? 0.2961 0.2817 0.2581 0.0090  -0.0224 0.0005  360 SER A OG  
1685 N N   . GLY A 116 ? 0.2550 0.2513 0.2450 0.0184  -0.0174 0.0046  361 GLY A N   
1686 C CA  . GLY A 116 ? 0.2522 0.2512 0.2438 0.0203  -0.0180 0.0093  361 GLY A CA  
1687 C C   . GLY A 116 ? 0.2550 0.2521 0.2481 0.0218  -0.0116 0.0081  361 GLY A C   
1688 O O   . GLY A 116 ? 0.2456 0.2440 0.2476 0.0239  -0.0081 0.0056  361 GLY A O   
1692 N N   . ASN A 117 ? 0.2686 0.2624 0.2529 0.0209  -0.0100 0.0099  362 ASN A N   
1693 C CA  . ASN A 117 ? 0.2992 0.2911 0.2845 0.0222  -0.0038 0.0090  362 ASN A CA  
1694 C C   . ASN A 117 ? 0.2559 0.2415 0.2340 0.0202  0.0018  0.0040  362 ASN A C   
1695 O O   . ASN A 117 ? 0.2452 0.2289 0.2238 0.0211  0.0072  0.0028  362 ASN A O   
1696 C CB  . ASN A 117 ? 0.4231 0.4148 0.4032 0.0225  -0.0046 0.0137  362 ASN A CB  
1697 C CG  . ASN A 117 ? 0.5447 0.5426 0.5324 0.0249  -0.0094 0.0188  362 ASN A CG  
1698 O OD1 . ASN A 117 ? 0.6348 0.6373 0.6344 0.0277  -0.0090 0.0189  362 ASN A OD1 
1699 N ND2 . ASN A 117 ? 0.5380 0.5364 0.5192 0.0239  -0.0141 0.0229  362 ASN A ND2 
1706 N N   . GLY A 118 ? 0.2426 0.2247 0.2132 0.0173  0.0006  0.0014  363 GLY A N   
1707 C CA  . GLY A 118 ? 0.2226 0.1982 0.1852 0.0151  0.0057  -0.0032 363 GLY A CA  
1708 C C   . GLY A 118 ? 0.2160 0.1896 0.1770 0.0131  0.0049  -0.0073 363 GLY A C   
1709 O O   . GLY A 118 ? 0.2072 0.1847 0.1764 0.0143  0.0021  -0.0077 363 GLY A O   
1713 N N   . TRP A 119 ? 0.2202 0.1875 0.1702 0.0101  0.0076  -0.0103 364 TRP A N   
1714 C CA  . TRP A 119 ? 0.2178 0.1820 0.1646 0.0080  0.0077  -0.0146 364 TRP A CA  
1715 C C   . TRP A 119 ? 0.2451 0.2068 0.1807 0.0045  0.0029  -0.0134 364 TRP A C   
1716 O O   . TRP A 119 ? 0.2644 0.2241 0.1910 0.0030  0.0019  -0.0106 364 TRP A O   
1717 C CB  . TRP A 119 ? 0.2145 0.1731 0.1572 0.0069  0.0146  -0.0196 364 TRP A CB  
1718 C CG  . TRP A 119 ? 0.2116 0.1717 0.1639 0.0099  0.0201  -0.0217 364 TRP A CG  
1719 C CD1 . TRP A 119 ? 0.2207 0.1867 0.1856 0.0134  0.0197  -0.0199 364 TRP A CD1 
1720 C CD2 . TRP A 119 ? 0.2118 0.1673 0.1617 0.0095  0.0271  -0.0261 364 TRP A CD2 
1721 N NE1 . TRP A 119 ? 0.2208 0.1863 0.1912 0.0152  0.0259  -0.0230 364 TRP A NE1 
1722 C CE2 . TRP A 119 ? 0.2227 0.1819 0.1842 0.0128  0.0305  -0.0268 364 TRP A CE2 
1723 C CE3 . TRP A 119 ? 0.2178 0.1665 0.1567 0.0065  0.0308  -0.0296 364 TRP A CE3 
1724 C CZ2 . TRP A 119 ? 0.2339 0.1905 0.1967 0.0134  0.0373  -0.0307 364 TRP A CZ2 
1725 C CZ3 . TRP A 119 ? 0.2241 0.1701 0.1643 0.0071  0.0376  -0.0335 364 TRP A CZ3 
1726 C CH2 . TRP A 119 ? 0.2350 0.1851 0.1873 0.0105  0.0408  -0.0340 364 TRP A CH2 
1737 N N   . ASN A 120 ? 0.2352 0.1967 0.1710 0.0030  0.0003  -0.0157 365 ASN A N   
1738 C CA  . ASN A 120 ? 0.2240 0.1827 0.1490 -0.0006 -0.0038 -0.0155 365 ASN A CA  
1739 C C   . ASN A 120 ? 0.2294 0.1836 0.1511 -0.0028 -0.0014 -0.0210 365 ASN A C   
1740 O O   . ASN A 120 ? 0.2300 0.1854 0.1604 -0.0010 0.0008  -0.0240 365 ASN A O   
1741 C CB  . ASN A 120 ? 0.2198 0.1839 0.1485 -0.0004 -0.0112 -0.0116 365 ASN A CB  
1742 C CG  . ASN A 120 ? 0.2483 0.2098 0.1669 -0.0042 -0.0154 -0.0119 365 ASN A CG  
1743 O OD1 . ASN A 120 ? 0.2422 0.1993 0.1487 -0.0069 -0.0153 -0.0115 365 ASN A OD1 
1744 N ND2 . ASN A 120 ? 0.2526 0.2167 0.1757 -0.0045 -0.0192 -0.0128 365 ASN A ND2 
1751 N N   . ASP A 121 ? 0.2424 0.1912 0.1513 -0.0065 -0.0019 -0.0223 366 ASP A N   
1752 C CA  . ASP A 121 ? 0.2579 0.2027 0.1630 -0.0089 -0.0010 -0.0270 366 ASP A CA  
1753 C C   . ASP A 121 ? 0.2781 0.2260 0.1838 -0.0102 -0.0079 -0.0254 366 ASP A C   
1754 O O   . ASP A 121 ? 0.2732 0.2228 0.1740 -0.0114 -0.0130 -0.0213 366 ASP A O   
1755 C CB  . ASP A 121 ? 0.2833 0.2205 0.1745 -0.0125 0.0023  -0.0297 366 ASP A CB  
1756 C CG  . ASP A 121 ? 0.2931 0.2289 0.1728 -0.0152 -0.0017 -0.0260 366 ASP A CG  
1757 O OD1 . ASP A 121 ? 0.2679 0.2082 0.1501 -0.0137 -0.0056 -0.0209 366 ASP A OD1 
1758 O OD2 . ASP A 121 ? 0.2997 0.2295 0.1674 -0.0188 -0.0007 -0.0282 366 ASP A OD2 
1763 N N   . ASP A 122 ? 0.2742 0.2229 0.1863 -0.0098 -0.0081 -0.0284 367 ASP A N   
1764 C CA  . ASP A 122 ? 0.2523 0.2038 0.1656 -0.0110 -0.0142 -0.0274 367 ASP A CA  
1765 C C   . ASP A 122 ? 0.2546 0.2015 0.1642 -0.0134 -0.0126 -0.0326 367 ASP A C   
1766 O O   . ASP A 122 ? 0.2560 0.1980 0.1633 -0.0137 -0.0068 -0.0368 367 ASP A O   
1767 C CB  . ASP A 122 ? 0.2507 0.2095 0.1779 -0.0074 -0.0171 -0.0249 367 ASP A CB  
1768 C CG  . ASP A 122 ? 0.3014 0.2647 0.2289 -0.0083 -0.0247 -0.0210 367 ASP A CG  
1769 O OD1 . ASP A 122 ? 0.3378 0.2985 0.2560 -0.0119 -0.0277 -0.0216 367 ASP A OD1 
1770 O OD2 . ASP A 122 ? 0.2969 0.2666 0.2341 -0.0055 -0.0276 -0.0175 367 ASP A OD2 
1775 N N   . LYS A 123 ? 0.2315 0.2252 0.2513 0.0082  -0.0582 -0.0142 368 LYS A N   
1776 C CA  . LYS A 123 ? 0.2595 0.2513 0.2806 0.0053  -0.0540 -0.0157 368 LYS A CA  
1777 C C   . LYS A 123 ? 0.2402 0.2341 0.2645 0.0056  -0.0450 -0.0131 368 LYS A C   
1778 O O   . LYS A 123 ? 0.2139 0.2146 0.2479 0.0075  -0.0420 -0.0119 368 LYS A O   
1779 C CB  . LYS A 123 ? 0.2983 0.2944 0.3307 0.0039  -0.0568 -0.0192 368 LYS A CB  
1780 C CG  . LYS A 123 ? 0.4192 0.4124 0.4483 0.0029  -0.0655 -0.0222 368 LYS A CG  
1781 C CD  . LYS A 123 ? 0.5479 0.5458 0.5820 0.0054  -0.0714 -0.0225 368 LYS A CD  
1782 C CE  . LYS A 123 ? 0.6194 0.6138 0.6488 0.0045  -0.0802 -0.0253 368 LYS A CE  
1783 N NZ  . LYS A 123 ? 0.6166 0.6139 0.6474 0.0072  -0.0861 -0.0249 368 LYS A NZ  
1797 N N   . CYS A 124 ? 0.2769 0.2652 0.2934 0.0037  -0.0406 -0.0125 369 CYS A N   
1798 C CA  . CYS A 124 ? 0.3279 0.3172 0.3454 0.0040  -0.0321 -0.0099 369 CYS A CA  
1799 C C   . CYS A 124 ? 0.2855 0.2813 0.3168 0.0034  -0.0275 -0.0108 369 CYS A C   
1800 O O   . CYS A 124 ? 0.2376 0.2366 0.2728 0.0045  -0.0210 -0.0084 369 CYS A O   
1801 C CB  . CYS A 124 ? 0.4466 0.4281 0.4525 0.0019  -0.0290 -0.0094 369 CYS A CB  
1802 S SG  . CYS A 124 ? 0.5275 0.5010 0.5163 0.0027  -0.0337 -0.0079 369 CYS A SG  
1807 N N   . ASN A 125 ? 0.2792 0.2772 0.3179 0.0017  -0.0309 -0.0141 370 ASN A N   
1808 C CA  . ASN A 125 ? 0.2725 0.2767 0.3245 0.0010  -0.0270 -0.0152 370 ASN A CA  
1809 C C   . ASN A 125 ? 0.2437 0.2561 0.3071 0.0036  -0.0278 -0.0147 370 ASN A C   
1810 O O   . ASN A 125 ? 0.2387 0.2568 0.3135 0.0033  -0.0241 -0.0152 370 ASN A O   
1811 C CB  . ASN A 125 ? 0.3701 0.3732 0.4256 -0.0019 -0.0304 -0.0191 370 ASN A CB  
1812 C CG  . ASN A 125 ? 0.5144 0.5175 0.5696 -0.0016 -0.0394 -0.0215 370 ASN A CG  
1813 O OD1 . ASN A 125 ? 0.5302 0.5289 0.5754 -0.0007 -0.0438 -0.0209 370 ASN A OD1 
1814 N ND2 . ASN A 125 ? 0.6193 0.6272 0.6853 -0.0023 -0.0421 -0.0242 370 ASN A ND2 
1821 N N   . LEU A 126 ? 0.2612 0.2744 0.3219 0.0060  -0.0324 -0.0137 371 LEU A N   
1822 C CA  . LEU A 126 ? 0.3062 0.3273 0.3776 0.0085  -0.0337 -0.0133 371 LEU A CA  
1823 C C   . LEU A 126 ? 0.2405 0.2651 0.3146 0.0106  -0.0267 -0.0097 371 LEU A C   
1824 O O   . LEU A 126 ? 0.2146 0.2349 0.2793 0.0111  -0.0233 -0.0071 371 LEU A O   
1825 C CB  . LEU A 126 ? 0.4346 0.4550 0.5018 0.0103  -0.0415 -0.0135 371 LEU A CB  
1826 C CG  . LEU A 126 ? 0.5817 0.6100 0.6601 0.0126  -0.0446 -0.0139 371 LEU A CG  
1827 C CD1 . LEU A 126 ? 0.6161 0.6489 0.7063 0.0110  -0.0463 -0.0173 371 LEU A CD1 
1828 C CD2 . LEU A 126 ? 0.6687 0.6954 0.7412 0.0144  -0.0521 -0.0139 371 LEU A CD2 
1840 N N   . ALA A 127 ? 0.2111 0.2435 0.2982 0.0117  -0.0244 -0.0097 372 ALA A N   
1841 C CA  . ALA A 127 ? 0.2113 0.2478 0.3022 0.0138  -0.0180 -0.0065 372 ALA A CA  
1842 C C   . ALA A 127 ? 0.1849 0.2233 0.2737 0.0171  -0.0211 -0.0045 372 ALA A C   
1843 O O   . ALA A 127 ? 0.1694 0.2116 0.2635 0.0184  -0.0269 -0.0059 372 ALA A O   
1844 C CB  . ALA A 127 ? 0.2328 0.2771 0.3387 0.0137  -0.0144 -0.0074 372 ALA A CB  
1850 N N   . LYS A 128 ? 0.1954 0.2315 0.2769 0.0186  -0.0171 -0.0011 373 LYS A N   
1851 C CA  . LYS A 128 ? 0.1706 0.2084 0.2499 0.0218  -0.0190 0.0012  373 LYS A CA  
1852 C C   . LYS A 128 ? 0.1641 0.2039 0.2440 0.0235  -0.0114 0.0048  373 LYS A C   
1853 O O   . LYS A 128 ? 0.1548 0.1932 0.2345 0.0220  -0.0049 0.0055  373 LYS A O   
1854 C CB  . LYS A 128 ? 0.1696 0.2004 0.2351 0.0222  -0.0242 0.0017  373 LYS A CB  
1855 C CG  . LYS A 128 ? 0.1776 0.2057 0.2408 0.0207  -0.0323 -0.0016 373 LYS A CG  
1856 C CD  . LYS A 128 ? 0.2104 0.2313 0.2593 0.0210  -0.0367 -0.0008 373 LYS A CD  
1857 C CE  . LYS A 128 ? 0.2704 0.2879 0.3160 0.0193  -0.0447 -0.0041 373 LYS A CE  
1858 N NZ  . LYS A 128 ? 0.2989 0.3218 0.3525 0.0210  -0.0509 -0.0056 373 LYS A NZ  
1872 N N   . PHE A 129 ? 0.1677 0.2107 0.2483 0.0266  -0.0121 0.0070  374 PHE A N   
1873 C CA  . PHE A 129 ? 0.1500 0.1936 0.2285 0.0284  -0.0055 0.0107  374 PHE A CA  
1874 C C   . PHE A 129 ? 0.1491 0.1844 0.2130 0.0276  -0.0042 0.0123  374 PHE A C   
1875 O O   . PHE A 129 ? 0.1600 0.1894 0.2153 0.0262  -0.0090 0.0108  374 PHE A O   
1876 C CB  . PHE A 129 ? 0.1415 0.1903 0.2240 0.0319  -0.0072 0.0125  374 PHE A CB  
1877 C CG  . PHE A 129 ? 0.1616 0.2189 0.2587 0.0328  -0.0081 0.0111  374 PHE A CG  
1878 C CD1 . PHE A 129 ? 0.1826 0.2456 0.2894 0.0334  -0.0015 0.0122  374 PHE A CD1 
1879 C CD2 . PHE A 129 ? 0.1773 0.2368 0.2785 0.0331  -0.0155 0.0085  374 PHE A CD2 
1880 C CE1 . PHE A 129 ? 0.1985 0.2694 0.3187 0.0342  -0.0022 0.0109  374 PHE A CE1 
1881 C CE2 . PHE A 129 ? 0.1945 0.2619 0.3093 0.0339  -0.0164 0.0071  374 PHE A CE2 
1882 C CZ  . PHE A 129 ? 0.1978 0.2709 0.3221 0.0345  -0.0097 0.0083  374 PHE A CZ  
1892 N N   . TRP A 130 ? 0.1508 0.1855 0.2119 0.0286  0.0025  0.0154  375 TRP A N   
1893 C CA  . TRP A 130 ? 0.1645 0.1916 0.2119 0.0280  0.0044  0.0172  375 TRP A CA  
1894 C C   . TRP A 130 ? 0.1622 0.1905 0.2073 0.0307  0.0090  0.0211  375 TRP A C   
1895 O O   . TRP A 130 ? 0.1632 0.1982 0.2178 0.0326  0.0121  0.0223  375 TRP A O   
1896 C CB  . TRP A 130 ? 0.1536 0.1766 0.1985 0.0248  0.0090  0.0163  375 TRP A CB  
1897 C CG  . TRP A 130 ? 0.1597 0.1864 0.2120 0.0247  0.0172  0.0176  375 TRP A CG  
1898 C CD1 . TRP A 130 ? 0.1807 0.2057 0.2285 0.0254  0.0240  0.0206  375 TRP A CD1 
1899 C CD2 . TRP A 130 ? 0.1877 0.2205 0.2530 0.0238  0.0197  0.0160  375 TRP A CD2 
1900 N NE1 . TRP A 130 ? 0.2059 0.2355 0.2630 0.0250  0.0303  0.0210  375 TRP A NE1 
1901 C CE2 . TRP A 130 ? 0.1922 0.2266 0.2603 0.0241  0.0279  0.0182  375 TRP A CE2 
1902 C CE3 . TRP A 130 ? 0.1959 0.2328 0.2708 0.0229  0.0158  0.0129  375 TRP A CE3 
1903 C CZ2 . TRP A 130 ? 0.1980 0.2380 0.2780 0.0234  0.0323  0.0175  375 TRP A CZ2 
1904 C CZ3 . TRP A 130 ? 0.2161 0.2587 0.3031 0.0222  0.0202  0.0122  375 TRP A CZ3 
1905 C CH2 . TRP A 130 ? 0.2173 0.2613 0.3065 0.0225  0.0283  0.0145  375 TRP A CH2 
1916 N N   . ILE A 131 ? 0.1703 0.1809 0.2292 0.0081  -0.0078 0.0502  376 ILE A N   
1917 C CA  . ILE A 131 ? 0.1722 0.1947 0.2420 0.0102  -0.0024 0.0435  376 ILE A CA  
1918 C C   . ILE A 131 ? 0.1857 0.2044 0.2564 0.0132  -0.0011 0.0375  376 ILE A C   
1919 O O   . ILE A 131 ? 0.1548 0.1616 0.2182 0.0140  0.0017  0.0351  376 ILE A O   
1920 C CB  . ILE A 131 ? 0.1895 0.2141 0.2616 0.0094  0.0063  0.0398  376 ILE A CB  
1921 C CG1 . ILE A 131 ? 0.1915 0.2224 0.2644 0.0077  0.0054  0.0452  376 ILE A CG1 
1922 C CG2 . ILE A 131 ? 0.1706 0.2047 0.2524 0.0111  0.0118  0.0324  376 ILE A CG2 
1923 C CD1 . ILE A 131 ? 0.2002 0.2293 0.2723 0.0067  0.0129  0.0427  376 ILE A CD1 
1935 N N   . CYS A 132 ? 0.2129 0.2422 0.2926 0.0151  -0.0031 0.0353  377 CYS A N   
1936 C CA  . CYS A 132 ? 0.2264 0.2549 0.3090 0.0184  -0.0013 0.0296  377 CYS A CA  
1937 C C   . CYS A 132 ? 0.1897 0.2292 0.2827 0.0192  0.0063  0.0231  377 CYS A C   
1938 O O   . CYS A 132 ? 0.1751 0.2250 0.2747 0.0174  0.0080  0.0232  377 CYS A O   
1939 C CB  . CYS A 132 ? 0.2784 0.3107 0.3640 0.0201  -0.0094 0.0316  377 CYS A CB  
1940 S SG  . CYS A 132 ? 0.3117 0.3320 0.3858 0.0187  -0.0204 0.0398  377 CYS A SG  
1945 N N   . LYS A 133 ? 0.1448 0.1823 0.2394 0.0220  0.0107  0.0178  378 LYS A N   
1946 C CA  . LYS A 133 ? 0.1445 0.1923 0.2490 0.0223  0.0177  0.0121  378 LYS A CA  
1947 C C   . LYS A 133 ? 0.1376 0.1899 0.2482 0.0263  0.0173  0.0086  378 LYS A C   
1948 O O   . LYS A 133 ? 0.1464 0.1893 0.2507 0.0296  0.0155  0.0085  378 LYS A O   
1949 C CB  . LYS A 133 ? 0.1746 0.2160 0.2748 0.0212  0.0257  0.0093  378 LYS A CB  
1950 C CG  . LYS A 133 ? 0.1810 0.2319 0.2906 0.0212  0.0329  0.0039  378 LYS A CG  
1951 C CD  . LYS A 133 ? 0.2006 0.2436 0.3043 0.0200  0.0401  0.0019  378 LYS A CD  
1952 C CE  . LYS A 133 ? 0.2176 0.2696 0.3301 0.0197  0.0472  -0.0030 378 LYS A CE  
1953 N NZ  . LYS A 133 ? 0.2401 0.2843 0.3464 0.0181  0.0539  -0.0043 378 LYS A NZ  
1967 N N   . LYS A 134 ? 0.1296 0.1960 0.2522 0.0261  0.0189  0.0058  379 LYS A N   
1968 C CA  . LYS A 134 ? 0.1302 0.2031 0.2606 0.0298  0.0197  0.0023  379 LYS A CA  
1969 C C   . LYS A 134 ? 0.1360 0.2228 0.2782 0.0279  0.0248  -0.0012 379 LYS A C   
1970 O O   . LYS A 134 ? 0.1621 0.2539 0.3066 0.0240  0.0256  -0.0008 379 LYS A O   
1971 C CB  . LYS A 134 ? 0.1963 0.2713 0.3284 0.0318  0.0110  0.0051  379 LYS A CB  
1972 C CG  . LYS A 134 ? 0.2911 0.3772 0.4297 0.0286  0.0069  0.0075  379 LYS A CG  
1973 C CD  . LYS A 134 ? 0.3934 0.4802 0.5316 0.0295  -0.0025 0.0115  379 LYS A CD  
1974 C CE  . LYS A 134 ? 0.4849 0.5737 0.6278 0.0338  -0.0050 0.0096  379 LYS A CE  
1975 N NZ  . LYS A 134 ? 0.5442 0.6338 0.6865 0.0337  -0.0148 0.0141  379 LYS A NZ  
1989 N N   . SER A 135 ? 0.1619 0.2547 0.3112 0.0308  0.0280  -0.0047 380 SER A N   
1990 C CA  . SER A 135 ? 0.2004 0.3062 0.3609 0.0285  0.0329  -0.0077 380 SER A CA  
1991 C C   . SER A 135 ? 0.1822 0.2995 0.3512 0.0267  0.0276  -0.0068 380 SER A C   
1992 O O   . SER A 135 ? 0.1878 0.3055 0.3568 0.0286  0.0209  -0.0045 380 SER A O   
1993 C CB  . SER A 135 ? 0.2502 0.3606 0.4166 0.0322  0.0379  -0.0109 380 SER A CB  
1994 O OG  . SER A 135 ? 0.2900 0.4044 0.4611 0.0368  0.0335  -0.0107 380 SER A OG  
2000 N N   . ALA A 136 ? 0.1483 0.2743 0.3237 0.0227  0.0305  -0.0085 381 ALA A N   
2001 C CA  . ALA A 136 ? 0.1376 0.2742 0.3203 0.0205  0.0263  -0.0081 381 ALA A CA  
2002 C C   . ALA A 136 ? 0.1809 0.3294 0.3755 0.0221  0.0259  -0.0100 381 ALA A C   
2003 O O   . ALA A 136 ? 0.1797 0.3306 0.3785 0.0239  0.0308  -0.0121 381 ALA A O   
2004 C CB  . ALA A 136 ? 0.0969 0.2358 0.2796 0.0155  0.0293  -0.0092 381 ALA A CB  
2010 N N   . ALA A 137 ? 0.2280 0.3846 0.4282 0.0216  0.0201  -0.0088 382 ALA A N   
2011 C CA  . ALA A 137 ? 0.2519 0.4210 0.4642 0.0223  0.0191  -0.0102 382 ALA A CA  
2012 C C   . ALA A 137 ? 0.3062 0.4844 0.5255 0.0174  0.0225  -0.0124 382 ALA A C   
2013 O O   . ALA A 137 ? 0.2630 0.4390 0.4780 0.0133  0.0230  -0.0125 382 ALA A O   
2014 C CB  . ALA A 137 ? 0.2276 0.4015 0.4428 0.0234  0.0109  -0.0079 382 ALA A CB  
2020 N N   . SER A 138 ? 0.4369 0.6250 0.6662 0.0178  0.0246  -0.0138 383 SER A N   
2021 C CA  . SER A 138 ? 0.5472 0.7419 0.7791 0.0125  0.0264  -0.0146 383 SER A CA  
2022 C C   . SER A 138 ? 0.6342 0.8358 0.8678 0.0107  0.0198  -0.0129 383 SER A C   
2023 O O   . SER A 138 ? 0.6496 0.8547 0.8856 0.0141  0.0159  -0.0114 383 SER A O   
2024 C CB  . SER A 138 ? 0.5811 0.7811 0.8184 0.0132  0.0319  -0.0155 383 SER A CB  
2025 O OG  . SER A 138 ? 0.6016 0.8088 0.8424 0.0077  0.0324  -0.0155 383 SER A OG  
2031 N N   . CYS A 139 ? 0.7104 0.9134 0.9425 0.0054  0.0187  -0.0133 384 CYS A N   
2032 C CA  . CYS A 139 ? 0.7834 0.9925 1.0166 0.0032  0.0129  -0.0117 384 CYS A CA  
2033 C C   . CYS A 139 ? 0.7929 1.0089 1.0314 -0.0019 0.0143  -0.0124 384 CYS A C   
2034 O O   . CYS A 139 ? 0.7814 0.9957 1.0182 -0.0065 0.0152  -0.0140 384 CYS A O   
2035 C CB  . CYS A 139 ? 0.8019 1.0069 1.0287 0.0019  0.0091  -0.0111 384 CYS A CB  
2036 S SG  . CYS A 139 ? 0.7401 0.9381 0.9608 0.0068  0.0059  -0.0090 384 CYS A SG  
2041 N N   . CYS B 8   ? 0.4912 0.3423 0.3900 0.0034  0.0225  -0.0237 253 CYS B N   
2042 C CA  . CYS B 8   ? 0.5242 0.3901 0.4356 0.0011  0.0203  -0.0196 253 CYS B CA  
2043 C C   . CYS B 8   ? 0.4455 0.3278 0.3683 0.0059  0.0203  -0.0190 253 CYS B C   
2044 O O   . CYS B 8   ? 0.3788 0.2563 0.3036 0.0133  0.0249  -0.0187 253 CYS B O   
2045 C CB  . CYS B 8   ? 0.6187 0.4741 0.5338 0.0024  0.0241  -0.0146 253 CYS B CB  
2046 S SG  . CYS B 8   ? 0.6883 0.5598 0.6172 -0.0018 0.0210  -0.0096 253 CYS B SG  
2050 N N   . HIS B 9   ? 0.4291 0.3306 0.3592 0.0017  0.0153  -0.0188 254 HIS B N   
2051 C CA  . HIS B 9   ? 0.3740 0.2922 0.3162 0.0056  0.0151  -0.0176 254 HIS B CA  
2052 C C   . HIS B 9   ? 0.3078 0.2410 0.2602 0.0007  0.0115  -0.0141 254 HIS B C   
2053 O O   . HIS B 9   ? 0.3019 0.2365 0.2510 -0.0065 0.0076  -0.0143 254 HIS B O   
2054 C CB  . HIS B 9   ? 0.3912 0.3199 0.3316 0.0066  0.0127  -0.0222 254 HIS B CB  
2055 C CG  . HIS B 9   ? 0.4171 0.3502 0.3498 -0.0007 0.0072  -0.0258 254 HIS B CG  
2056 N ND1 . HIS B 9   ? 0.4054 0.3577 0.3437 -0.0050 0.0019  -0.0267 254 HIS B ND1 
2057 C CD2 . HIS B 9   ? 0.4309 0.3517 0.3506 -0.0042 0.0063  -0.0289 254 HIS B CD2 
2058 C CE1 . HIS B 9   ? 0.4223 0.3743 0.3516 -0.0110 -0.0021 -0.0300 254 HIS B CE1 
2059 N NE2 . HIS B 9   ? 0.4304 0.3633 0.3483 -0.0107 0.0004  -0.0315 254 HIS B NE2 
2067 N N   . PRO B 10  ? 0.2722 0.2168 0.2371 0.0044  0.0126  -0.0110 255 PRO B N   
2068 C CA  . PRO B 10  ? 0.2777 0.2339 0.2523 0.0002  0.0099  -0.0071 255 PRO B CA  
2069 C C   . PRO B 10  ? 0.2592 0.2338 0.2365 -0.0062 0.0035  -0.0088 255 PRO B C   
2070 O O   . PRO B 10  ? 0.2714 0.2513 0.2517 -0.0122 0.0004  -0.0065 255 PRO B O   
2071 C CB  . PRO B 10  ? 0.2647 0.2267 0.2513 0.0068  0.0134  -0.0034 255 PRO B CB  
2072 C CG  . PRO B 10  ? 0.2661 0.2275 0.2507 0.0133  0.0158  -0.0067 255 PRO B CG  
2073 C CD  . PRO B 10  ? 0.2656 0.2109 0.2361 0.0129  0.0169  -0.0105 255 PRO B CD  
2081 N N   . CYS B 11  ? 0.2055 0.1894 0.1814 -0.0054 0.0014  -0.0128 256 CYS B N   
2082 C CA  . CYS B 11  ? 0.2042 0.2069 0.1837 -0.0109 -0.0045 -0.0143 256 CYS B CA  
2083 C C   . CYS B 11  ? 0.2291 0.2308 0.1979 -0.0142 -0.0076 -0.0196 256 CYS B C   
2084 O O   . CYS B 11  ? 0.2668 0.2568 0.2273 -0.0105 -0.0050 -0.0225 256 CYS B O   
2085 C CB  . CYS B 11  ? 0.2357 0.2556 0.2270 -0.0069 -0.0047 -0.0135 256 CYS B CB  
2086 S SG  . CYS B 11  ? 0.2783 0.3033 0.2837 -0.0039 -0.0020 -0.0072 256 CYS B SG  
2091 N N   . PRO B 12  ? 0.2397 0.2533 0.2083 -0.0211 -0.0133 -0.0210 257 PRO B N   
2092 C CA  . PRO B 12  ? 0.2670 0.2816 0.2261 -0.0241 -0.0165 -0.0261 257 PRO B CA  
2093 C C   . PRO B 12  ? 0.2155 0.2384 0.1769 -0.0188 -0.0158 -0.0289 257 PRO B C   
2094 O O   . PRO B 12  ? 0.1681 0.2012 0.1400 -0.0144 -0.0144 -0.0270 257 PRO B O   
2095 C CB  . PRO B 12  ? 0.3077 0.3363 0.2690 -0.0324 -0.0227 -0.0261 257 PRO B CB  
2096 C CG  . PRO B 12  ? 0.2853 0.3159 0.2549 -0.0345 -0.0224 -0.0210 257 PRO B CG  
2097 C CD  . PRO B 12  ? 0.2343 0.2608 0.2112 -0.0267 -0.0169 -0.0179 257 PRO B CD  
2105 N N   . TRP B 13  ? 0.2116 0.2294 0.1630 -0.0190 -0.0166 -0.0334 258 TRP B N   
2106 C CA  . TRP B 13  ? 0.2139 0.2400 0.1668 -0.0145 -0.0164 -0.0364 258 TRP B CA  
2107 C C   . TRP B 13  ? 0.2212 0.2697 0.1849 -0.0164 -0.0203 -0.0358 258 TRP B C   
2108 O O   . TRP B 13  ? 0.2047 0.2628 0.1697 -0.0233 -0.0250 -0.0357 258 TRP B O   
2109 C CB  . TRP B 13  ? 0.2214 0.2417 0.1621 -0.0165 -0.0182 -0.0414 258 TRP B CB  
2110 C CG  . TRP B 13  ? 0.2402 0.2401 0.1710 -0.0122 -0.0136 -0.0428 258 TRP B CG  
2111 C CD1 . TRP B 13  ? 0.2497 0.2321 0.1725 -0.0139 -0.0117 -0.0419 258 TRP B CD1 
2112 C CD2 . TRP B 13  ? 0.2422 0.2370 0.1696 -0.0056 -0.0103 -0.0454 258 TRP B CD2 
2113 N NE1 . TRP B 13  ? 0.2350 0.2014 0.1496 -0.0087 -0.0074 -0.0438 258 TRP B NE1 
2114 C CE2 . TRP B 13  ? 0.2316 0.2054 0.1490 -0.0036 -0.0065 -0.0460 258 TRP B CE2 
2115 C CE3 . TRP B 13  ? 0.2526 0.2584 0.1846 -0.0011 -0.0102 -0.0474 258 TRP B CE3 
2116 C CZ2 . TRP B 13  ? 0.2396 0.2034 0.1514 0.0027  -0.0026 -0.0484 258 TRP B CZ2 
2117 C CZ3 . TRP B 13  ? 0.2440 0.2399 0.1706 0.0050  -0.0064 -0.0497 258 TRP B CZ3 
2118 C CH2 . TRP B 13  ? 0.2381 0.2132 0.1548 0.0069  -0.0027 -0.0502 258 TRP B CH2 
2129 N N   . GLU B 14  ? 0.2745 0.3313 0.2458 -0.0103 -0.0182 -0.0357 259 GLU B N   
2130 C CA  . GLU B 14  ? 0.3097 0.3874 0.2917 -0.0105 -0.0210 -0.0354 259 GLU B CA  
2131 C C   . GLU B 14  ? 0.2481 0.3334 0.2419 -0.0106 -0.0206 -0.0304 259 GLU B C   
2132 O O   . GLU B 14  ? 0.2751 0.3775 0.2788 -0.0102 -0.0223 -0.0297 259 GLU B O   
2133 C CB  . GLU B 14  ? 0.4346 0.5251 0.4143 -0.0175 -0.0272 -0.0383 259 GLU B CB  
2134 C CG  . GLU B 14  ? 0.5801 0.6640 0.5479 -0.0183 -0.0283 -0.0432 259 GLU B CG  
2135 C CD  . GLU B 14  ? 0.6708 0.7653 0.6355 -0.0261 -0.0345 -0.0456 259 GLU B CD  
2136 O OE1 . GLU B 14  ? 0.6818 0.7874 0.6567 -0.0275 -0.0357 -0.0419 259 GLU B OE1 
2137 O OE2 . GLU B 14  ? 0.7123 0.7977 0.6657 -0.0293 -0.0359 -0.0486 259 GLU B OE2 
2144 N N   . TRP B 15  ? 0.1657 0.2392 0.1590 -0.0111 -0.0182 -0.0270 260 TRP B N   
2145 C CA  . TRP B 15  ? 0.1594 0.2392 0.1637 -0.0111 -0.0175 -0.0221 260 TRP B CA  
2146 C C   . TRP B 15  ? 0.2034 0.2766 0.2130 -0.0028 -0.0117 -0.0197 260 TRP B C   
2147 O O   . TRP B 15  ? 0.2661 0.3239 0.2687 0.0019  -0.0077 -0.0209 260 TRP B O   
2148 C CB  . TRP B 15  ? 0.1466 0.2183 0.1482 -0.0168 -0.0185 -0.0195 260 TRP B CB  
2149 C CG  . TRP B 15  ? 0.1469 0.2269 0.1453 -0.0251 -0.0244 -0.0211 260 TRP B CG  
2150 C CD1 . TRP B 15  ? 0.1609 0.2396 0.1496 -0.0287 -0.0274 -0.0255 260 TRP B CD1 
2151 C CD2 . TRP B 15  ? 0.1369 0.2276 0.1417 -0.0312 -0.0280 -0.0183 260 TRP B CD2 
2152 N NE1 . TRP B 15  ? 0.1648 0.2533 0.1538 -0.0365 -0.0327 -0.0256 260 TRP B NE1 
2153 C CE2 . TRP B 15  ? 0.1662 0.2622 0.1650 -0.0381 -0.0332 -0.0213 260 TRP B CE2 
2154 C CE3 . TRP B 15  ? 0.1227 0.2193 0.1378 -0.0314 -0.0275 -0.0136 260 TRP B CE3 
2155 C CZ2 . TRP B 15  ? 0.1785 0.2851 0.1811 -0.0452 -0.0377 -0.0197 260 TRP B CZ2 
2156 C CZ3 . TRP B 15  ? 0.1205 0.2279 0.1396 -0.0384 -0.0320 -0.0120 260 TRP B CZ3 
2157 C CH2 . TRP B 15  ? 0.1498 0.2620 0.1626 -0.0452 -0.0370 -0.0150 260 TRP B CH2 
2168 N N   . THR B 16  ? 0.2209 0.2157 0.2250 0.0002  0.0243  0.0146  261 THR B N   
2169 C CA  . THR B 16  ? 0.2079 0.2004 0.2115 -0.0026 0.0279  0.0164  261 THR B CA  
2170 C C   . THR B 16  ? 0.1966 0.1953 0.2015 -0.0048 0.0311  0.0144  261 THR B C   
2171 O O   . THR B 16  ? 0.1922 0.1964 0.2028 -0.0050 0.0311  0.0107  261 THR B O   
2172 C CB  . THR B 16  ? 0.2413 0.2308 0.2507 -0.0030 0.0279  0.0157  261 THR B CB  
2173 O OG1 . THR B 16  ? 0.2719 0.2551 0.2795 -0.0008 0.0246  0.0176  261 THR B OG1 
2174 C CG2 . THR B 16  ? 0.2566 0.2437 0.2655 -0.0060 0.0317  0.0174  261 THR B CG2 
2182 N N   . PHE B 17  ? 0.1895 0.1872 0.1891 -0.0066 0.0338  0.0167  262 PHE B N   
2183 C CA  . PHE B 17  ? 0.1899 0.1932 0.1903 -0.0086 0.0368  0.0149  262 PHE B CA  
2184 C C   . PHE B 17  ? 0.1839 0.1875 0.1895 -0.0110 0.0396  0.0139  262 PHE B C   
2185 O O   . PHE B 17  ? 0.1942 0.1925 0.1989 -0.0122 0.0409  0.0163  262 PHE B O   
2186 C CB  . PHE B 17  ? 0.2185 0.2207 0.2113 -0.0096 0.0386  0.0178  262 PHE B CB  
2187 C CG  . PHE B 17  ? 0.2888 0.2964 0.2822 -0.0116 0.0416  0.0160  262 PHE B CG  
2188 C CD1 . PHE B 17  ? 0.3693 0.3765 0.3643 -0.0143 0.0451  0.0162  262 PHE B CD1 
2189 C CD2 . PHE B 17  ? 0.2868 0.2999 0.2790 -0.0110 0.0411  0.0141  262 PHE B CD2 
2190 C CE1 . PHE B 17  ? 0.3937 0.4059 0.3894 -0.0160 0.0477  0.0144  262 PHE B CE1 
2191 C CE2 . PHE B 17  ? 0.3277 0.3455 0.3202 -0.0127 0.0437  0.0124  262 PHE B CE2 
2192 C CZ  . PHE B 17  ? 0.3782 0.3956 0.3726 -0.0151 0.0469  0.0125  262 PHE B CZ  
2202 N N   . PHE B 18  ? 0.1950 0.2045 0.2059 -0.0118 0.0406  0.0103  263 PHE B N   
2203 C CA  . PHE B 18  ? 0.1943 0.2049 0.2102 -0.0141 0.0434  0.0088  263 PHE B CA  
2204 C C   . PHE B 18  ? 0.1951 0.2124 0.2130 -0.0151 0.0448  0.0056  263 PHE B C   
2205 O O   . PHE B 18  ? 0.1751 0.1964 0.1960 -0.0141 0.0432  0.0026  263 PHE B O   
2206 C CB  . PHE B 18  ? 0.1823 0.1915 0.2050 -0.0136 0.0420  0.0073  263 PHE B CB  
2207 C CG  . PHE B 18  ? 0.1945 0.2054 0.2230 -0.0158 0.0447  0.0054  263 PHE B CG  
2208 C CD1 . PHE B 18  ? 0.2279 0.2350 0.2560 -0.0178 0.0472  0.0074  263 PHE B CD1 
2209 C CD2 . PHE B 18  ? 0.1827 0.1990 0.2168 -0.0160 0.0446  0.0014  263 PHE B CD2 
2210 C CE1 . PHE B 18  ? 0.2400 0.2488 0.2736 -0.0198 0.0496  0.0055  263 PHE B CE1 
2211 C CE2 . PHE B 18  ? 0.1791 0.1969 0.2186 -0.0181 0.0470  -0.0004 263 PHE B CE2 
2212 C CZ  . PHE B 18  ? 0.1937 0.2079 0.2331 -0.0198 0.0494  0.0016  263 PHE B CZ  
2222 N N   . GLN B 19  ? 0.2146 0.2331 0.2309 -0.0172 0.0479  0.0061  264 GLN B N   
2223 C CA  . GLN B 19  ? 0.2437 0.2680 0.2620 -0.0184 0.0496  0.0031  264 GLN B CA  
2224 C C   . GLN B 19  ? 0.2214 0.2499 0.2379 -0.0168 0.0475  0.0012  264 GLN B C   
2225 O O   . GLN B 19  ? 0.2339 0.2665 0.2544 -0.0167 0.0469  -0.0023 264 GLN B O   
2226 C CB  . GLN B 19  ? 0.2972 0.3233 0.3232 -0.0195 0.0506  0.0002  264 GLN B CB  
2227 C CG  . GLN B 19  ? 0.3802 0.4027 0.4079 -0.0215 0.0531  0.0018  264 GLN B CG  
2228 C CD  . GLN B 19  ? 0.4192 0.4443 0.4542 -0.0229 0.0545  -0.0013 264 GLN B CD  
2229 O OE1 . GLN B 19  ? 0.4061 0.4349 0.4451 -0.0222 0.0533  -0.0045 264 GLN B OE1 
2230 N NE2 . GLN B 19  ? 0.4441 0.4670 0.4806 -0.0249 0.0572  -0.0003 264 GLN B NE2 
2239 N N   . GLY B 20  ? 0.2099 0.2371 0.2201 -0.0156 0.0464  0.0034  265 GLY B N   
2240 C CA  . GLY B 20  ? 0.2342 0.2655 0.2418 -0.0144 0.0449  0.0019  265 GLY B CA  
2241 C C   . GLY B 20  ? 0.2440 0.2759 0.2533 -0.0123 0.0417  0.0004  265 GLY B C   
2242 O O   . GLY B 20  ? 0.2411 0.2765 0.2485 -0.0114 0.0404  -0.0013 265 GLY B O   
2246 N N   . ASN B 21  ? 0.2296 0.2583 0.2424 -0.0115 0.0403  0.0008  266 ASN B N   
2247 C CA  . ASN B 21  ? 0.2024 0.2316 0.2172 -0.0095 0.0371  -0.0008 266 ASN B CA  
2248 C C   . ASN B 21  ? 0.1810 0.2046 0.1939 -0.0079 0.0352  0.0023  266 ASN B C   
2249 O O   . ASN B 21  ? 0.1793 0.1984 0.1901 -0.0087 0.0365  0.0053  266 ASN B O   
2250 C CB  . ASN B 21  ? 0.1942 0.2258 0.2165 -0.0099 0.0369  -0.0044 266 ASN B CB  
2251 C CG  . ASN B 21  ? 0.2413 0.2782 0.2649 -0.0111 0.0380  -0.0078 266 ASN B CG  
2252 O OD1 . ASN B 21  ? 0.2624 0.3024 0.2839 -0.0102 0.0367  -0.0094 266 ASN B OD1 
2253 N ND2 . ASN B 21  ? 0.2687 0.3067 0.2956 -0.0130 0.0404  -0.0088 266 ASN B ND2 
2260 N N   . CYS B 22  ? 0.1564 0.1803 0.1698 -0.0057 0.0321  0.0013  267 CYS B N   
2261 C CA  . CYS B 22  ? 0.1721 0.1910 0.1837 -0.0038 0.0296  0.0036  267 CYS B CA  
2262 C C   . CYS B 22  ? 0.1424 0.1611 0.1608 -0.0027 0.0275  0.0013  267 CYS B C   
2263 O O   . CYS B 22  ? 0.1426 0.1660 0.1651 -0.0025 0.0268  -0.0024 267 CYS B O   
2264 C CB  . CYS B 22  ? 0.2257 0.2452 0.2319 -0.0018 0.0274  0.0045  267 CYS B CB  
2265 S SG  . CYS B 22  ? 0.2482 0.2685 0.2465 -0.0029 0.0296  0.0069  267 CYS B SG  
2270 N N   . TYR B 23  ? 0.1334 0.1467 0.1526 -0.0020 0.0265  0.0033  268 TYR B N   
2271 C CA  . TYR B 23  ? 0.1328 0.1453 0.1585 -0.0010 0.0246  0.0013  268 TYR B CA  
2272 C C   . TYR B 23  ? 0.1642 0.1720 0.1881 0.0017  0.0211  0.0030  268 TYR B C   
2273 O O   . TYR B 23  ? 0.1904 0.1931 0.2083 0.0022  0.0209  0.0068  268 TYR B O   
2274 C CB  . TYR B 23  ? 0.1367 0.1472 0.1669 -0.0028 0.0267  0.0014  268 TYR B CB  
2275 C CG  . TYR B 23  ? 0.1581 0.1733 0.1907 -0.0054 0.0299  -0.0007 268 TYR B CG  
2276 C CD1 . TYR B 23  ? 0.1714 0.1867 0.1995 -0.0071 0.0327  0.0012  268 TYR B CD1 
2277 C CD2 . TYR B 23  ? 0.1505 0.1698 0.1899 -0.0060 0.0301  -0.0046 268 TYR B CD2 
2278 C CE1 . TYR B 23  ? 0.1627 0.1822 0.1932 -0.0093 0.0355  -0.0008 268 TYR B CE1 
2279 C CE2 . TYR B 23  ? 0.1312 0.1545 0.1727 -0.0082 0.0328  -0.0066 268 TYR B CE2 
2280 C CZ  . TYR B 23  ? 0.1527 0.1760 0.1898 -0.0097 0.0354  -0.0047 268 TYR B CZ  
2281 O OH  . TYR B 23  ? 0.1815 0.2086 0.2206 -0.0117 0.0379  -0.0067 268 TYR B OH  
2291 N N   . PHE B 24  ? 0.1592 0.1685 0.1882 0.0033  0.0185  0.0002  269 PHE B N   
2292 C CA  . PHE B 24  ? 0.1864 0.1916 0.2147 0.0062  0.0148  0.0011  269 PHE B CA  
2293 C C   . PHE B 24  ? 0.1845 0.1894 0.2204 0.0068  0.0133  -0.0015 269 PHE B C   
2294 O O   . PHE B 24  ? 0.1841 0.1944 0.2258 0.0064  0.0134  -0.0055 269 PHE B O   
2295 C CB  . PHE B 24  ? 0.2323 0.2405 0.2578 0.0082  0.0123  -0.0001 269 PHE B CB  
2296 C CG  . PHE B 24  ? 0.3015 0.3064 0.3270 0.0113  0.0082  0.0002  269 PHE B CG  
2297 C CD1 . PHE B 24  ? 0.3679 0.3666 0.3869 0.0127  0.0068  0.0043  269 PHE B CD1 
2298 C CD2 . PHE B 24  ? 0.3337 0.3417 0.3654 0.0128  0.0057  -0.0037 269 PHE B CD2 
2299 C CE1 . PHE B 24  ? 0.4139 0.4092 0.4327 0.0158  0.0027  0.0044  269 PHE B CE1 
2300 C CE2 . PHE B 24  ? 0.4016 0.4067 0.4335 0.0159  0.0018  -0.0038 269 PHE B CE2 
2301 C CZ  . PHE B 24  ? 0.4221 0.4208 0.4475 0.0174  0.0002  0.0003  269 PHE B CZ  
2311 N N   . MET B 25  ? 0.1985 0.1970 0.2344 0.0078  0.0119  0.0008  270 MET B N   
2312 C CA  . MET B 25  ? 0.2147 0.2122 0.2575 0.0090  0.0099  -0.0014 270 MET B CA  
2313 C C   . MET B 25  ? 0.1962 0.1917 0.2382 0.0124  0.0054  -0.0017 270 MET B C   
2314 O O   . MET B 25  ? 0.2214 0.2117 0.2570 0.0139  0.0039  0.0017  270 MET B O   
2315 C CB  . MET B 25  ? 0.2783 0.2696 0.3216 0.0079  0.0111  0.0012  270 MET B CB  
2316 C CG  . MET B 25  ? 0.3585 0.3487 0.4093 0.0090  0.0091  -0.0011 270 MET B CG  
2317 S SD  . MET B 25  ? 0.4200 0.4030 0.4716 0.0075  0.0107  0.0017  270 MET B SD  
2318 C CE  . MET B 25  ? 0.4222 0.4107 0.4842 0.0059  0.0122  -0.0029 270 MET B CE  
2328 N N   . SER B 26  ? 0.1937 0.1933 0.2423 0.0137  0.0033  -0.0059 271 SER B N   
2329 C CA  . SER B 26  ? 0.2310 0.2297 0.2798 0.0170  -0.0010 -0.0070 271 SER B CA  
2330 C C   . SER B 26  ? 0.2777 0.2685 0.3259 0.0190  -0.0037 -0.0046 271 SER B C   
2331 O O   . SER B 26  ? 0.2688 0.2559 0.3188 0.0178  -0.0023 -0.0033 271 SER B O   
2332 C CB  . SER B 26  ? 0.2044 0.2096 0.2611 0.0176  -0.0024 -0.0126 271 SER B CB  
2333 O OG  . SER B 26  ? 0.1769 0.1815 0.2406 0.0168  -0.0019 -0.0143 271 SER B OG  
2339 N N   . ASN B 27  ? 0.3236 0.3120 0.3693 0.0222  -0.0076 -0.0043 272 ASN B N   
2340 C CA  . ASN B 27  ? 0.4418 0.4232 0.4875 0.0246  -0.0110 -0.0028 272 ASN B CA  
2341 C C   . ASN B 27  ? 0.4161 0.4004 0.4690 0.0273  -0.0148 -0.0073 272 ASN B C   
2342 O O   . ASN B 27  ? 0.4265 0.4055 0.4797 0.0299  -0.0183 -0.0067 272 ASN B O   
2343 C CB  . ASN B 27  ? 0.6029 0.5779 0.6394 0.0264  -0.0130 0.0015  272 ASN B CB  
2344 C CG  . ASN B 27  ? 0.7186 0.6895 0.7480 0.0239  -0.0094 0.0062  272 ASN B CG  
2345 O OD1 . ASN B 27  ? 0.8030 0.7746 0.8261 0.0233  -0.0083 0.0081  272 ASN B OD1 
2346 N ND2 . ASN B 27  ? 0.7161 0.6824 0.7465 0.0222  -0.0076 0.0079  272 ASN B ND2 
2353 N N   . SER B 28  ? 0.3879 0.3804 0.4465 0.0265  -0.0140 -0.0119 273 SER B N   
2354 C CA  . SER B 28  ? 0.3441 0.3405 0.4106 0.0284  -0.0169 -0.0169 273 SER B CA  
2355 C C   . SER B 28  ? 0.2766 0.2788 0.3504 0.0257  -0.0139 -0.0205 273 SER B C   
2356 O O   . SER B 28  ? 0.2443 0.2479 0.3167 0.0226  -0.0099 -0.0193 273 SER B O   
2357 C CB  . SER B 28  ? 0.3518 0.3528 0.4173 0.0304  -0.0193 -0.0194 273 SER B CB  
2358 O OG  . SER B 28  ? 0.4088 0.4162 0.4735 0.0280  -0.0162 -0.0208 273 SER B OG  
2364 N N   . GLN B 29  ? 0.2141 0.2197 0.2958 0.0268  -0.0159 -0.0252 274 GLN B N   
2365 C CA  . GLN B 29  ? 0.2101 0.2209 0.2991 0.0243  -0.0134 -0.0289 274 GLN B CA  
2366 C C   . GLN B 29  ? 0.2059 0.2246 0.2992 0.0244  -0.0140 -0.0342 274 GLN B C   
2367 O O   . GLN B 29  ? 0.2163 0.2363 0.3110 0.0271  -0.0175 -0.0364 274 GLN B O   
2368 C CB  . GLN B 29  ? 0.2297 0.2373 0.3250 0.0250  -0.0147 -0.0298 274 GLN B CB  
2369 C CG  . GLN B 29  ? 0.2807 0.2800 0.3718 0.0249  -0.0142 -0.0247 274 GLN B CG  
2370 C CD  . GLN B 29  ? 0.3468 0.3426 0.4439 0.0260  -0.0161 -0.0257 274 GLN B CD  
2371 O OE1 . GLN B 29  ? 0.3692 0.3657 0.4708 0.0238  -0.0136 -0.0265 274 GLN B OE1 
2372 N NE2 . GLN B 29  ? 0.3750 0.3671 0.4722 0.0295  -0.0205 -0.0259 274 GLN B NE2 
2381 N N   . ARG B 30  ? 0.2043 0.2284 0.2998 0.0213  -0.0106 -0.0364 275 ARG B N   
2382 C CA  . ARG B 30  ? 0.2266 0.2582 0.3260 0.0206  -0.0105 -0.0416 275 ARG B CA  
2383 C C   . ARG B 30  ? 0.2176 0.2528 0.3229 0.0177  -0.0075 -0.0446 275 ARG B C   
2384 O O   . ARG B 30  ? 0.2059 0.2385 0.3109 0.0158  -0.0050 -0.0421 275 ARG B O   
2385 C CB  . ARG B 30  ? 0.2813 0.3161 0.3744 0.0198  -0.0092 -0.0410 275 ARG B CB  
2386 C CG  . ARG B 30  ? 0.3203 0.3526 0.4073 0.0225  -0.0119 -0.0386 275 ARG B CG  
2387 C CD  . ARG B 30  ? 0.3633 0.3996 0.4449 0.0212  -0.0101 -0.0386 275 ARG B CD  
2388 N NE  . ARG B 30  ? 0.4491 0.4835 0.5246 0.0236  -0.0124 -0.0363 275 ARG B NE  
2389 C CZ  . ARG B 30  ? 0.4742 0.5126 0.5461 0.0234  -0.0123 -0.0375 275 ARG B CZ  
2390 N NH1 . ARG B 30  ? 0.4328 0.4774 0.5067 0.0210  -0.0100 -0.0411 275 ARG B NH1 
2391 N NH2 . ARG B 30  ? 0.4998 0.5360 0.5661 0.0257  -0.0145 -0.0352 275 ARG B NH2 
2405 N N   . ASN B 31  ? 0.2336 0.2751 0.3440 0.0170  -0.0077 -0.0499 276 ASN B N   
2406 C CA  . ASN B 31  ? 0.2160 0.2611 0.3313 0.0140  -0.0047 -0.0528 276 ASN B CA  
2407 C C   . ASN B 31  ? 0.2146 0.2615 0.3244 0.0112  -0.0012 -0.0514 276 ASN B C   
2408 O O   . ASN B 31  ? 0.2129 0.2589 0.3158 0.0116  -0.0010 -0.0485 276 ASN B O   
2409 C CB  . ASN B 31  ? 0.2277 0.2785 0.3499 0.0139  -0.0059 -0.0591 276 ASN B CB  
2410 C CG  . ASN B 31  ? 0.2651 0.3210 0.3846 0.0137  -0.0061 -0.0618 276 ASN B CG  
2411 O OD1 . ASN B 31  ? 0.2647 0.3213 0.3779 0.0124  -0.0042 -0.0599 276 ASN B OD1 
2412 N ND2 . ASN B 31  ? 0.3001 0.3597 0.4245 0.0150  -0.0084 -0.0665 276 ASN B ND2 
2419 N N   . TRP B 32  ? 0.2331 0.2639 0.2468 -0.0214 0.0437  0.0096  277 TRP B N   
2420 C CA  . TRP B 32  ? 0.2361 0.2640 0.2509 -0.0208 0.0420  0.0088  277 TRP B CA  
2421 C C   . TRP B 32  ? 0.2400 0.2676 0.2661 -0.0213 0.0427  0.0049  277 TRP B C   
2422 O O   . TRP B 32  ? 0.1924 0.2246 0.2239 -0.0209 0.0406  0.0008  277 TRP B O   
2423 C CB  . TRP B 32  ? 0.2013 0.2184 0.2073 -0.0205 0.0429  0.0148  277 TRP B CB  
2424 C CG  . TRP B 32  ? 0.1817 0.1958 0.1872 -0.0197 0.0407  0.0148  277 TRP B CG  
2425 C CD1 . TRP B 32  ? 0.1673 0.1853 0.1684 -0.0188 0.0375  0.0142  277 TRP B CD1 
2426 C CD2 . TRP B 32  ? 0.2020 0.2085 0.2116 -0.0198 0.0416  0.0154  277 TRP B CD2 
2427 N NE1 . TRP B 32  ? 0.1788 0.1921 0.1810 -0.0183 0.0364  0.0146  277 TRP B NE1 
2428 C CE2 . TRP B 32  ? 0.1963 0.2026 0.2039 -0.0189 0.0388  0.0153  277 TRP B CE2 
2429 C CE3 . TRP B 32  ? 0.2414 0.2415 0.2566 -0.0207 0.0445  0.0160  277 TRP B CE3 
2430 C CZ2 . TRP B 32  ? 0.2167 0.2166 0.2277 -0.0187 0.0387  0.0158  277 TRP B CZ2 
2431 C CZ3 . TRP B 32  ? 0.2457 0.2390 0.2637 -0.0205 0.0445  0.0166  277 TRP B CZ3 
2432 C CH2 . TRP B 32  ? 0.2352 0.2286 0.2512 -0.0195 0.0415  0.0165  277 TRP B CH2 
2443 N N   . HIS B 33  ? 0.2799 0.3022 0.3100 -0.0222 0.0460  0.0060  278 HIS B N   
2444 C CA  . HIS B 33  ? 0.2701 0.2918 0.3110 -0.0227 0.0469  0.0024  278 HIS B CA  
2445 C C   . HIS B 33  ? 0.2483 0.2810 0.2980 -0.0230 0.0454  -0.0040 278 HIS B C   
2446 O O   . HIS B 33  ? 0.2259 0.2607 0.2836 -0.0231 0.0446  -0.0081 278 HIS B O   
2447 C CB  . HIS B 33  ? 0.2993 0.3133 0.3424 -0.0237 0.0508  0.0050  278 HIS B CB  
2448 C CG  . HIS B 33  ? 0.3647 0.3670 0.4008 -0.0236 0.0524  0.0108  278 HIS B CG  
2449 N ND1 . HIS B 33  ? 0.3635 0.3605 0.3895 -0.0237 0.0537  0.0161  278 HIS B ND1 
2450 C CD2 . HIS B 33  ? 0.3624 0.3569 0.4000 -0.0235 0.0528  0.0120  278 HIS B CD2 
2451 C CE1 . HIS B 33  ? 0.3733 0.3599 0.3947 -0.0237 0.0548  0.0204  278 HIS B CE1 
2452 N NE2 . HIS B 33  ? 0.3698 0.3547 0.3980 -0.0236 0.0542  0.0181  278 HIS B NE2 
2460 N N   . ASP B 34  ? 0.2651 0.3050 0.3137 -0.0233 0.0451  -0.0050 279 ASP B N   
2461 C CA  . ASP B 34  ? 0.2708 0.3214 0.3270 -0.0236 0.0434  -0.0111 279 ASP B CA  
2462 C C   . ASP B 34  ? 0.2215 0.2784 0.2766 -0.0228 0.0398  -0.0141 279 ASP B C   
2463 O O   . ASP B 34  ? 0.1979 0.2618 0.2607 -0.0232 0.0384  -0.0197 279 ASP B O   
2464 C CB  . ASP B 34  ? 0.3223 0.3788 0.3773 -0.0241 0.0439  -0.0110 279 ASP B CB  
2465 C CG  . ASP B 34  ? 0.3990 0.4512 0.4580 -0.0251 0.0475  -0.0095 279 ASP B CG  
2466 O OD1 . ASP B 34  ? 0.4063 0.4522 0.4707 -0.0255 0.0495  -0.0095 279 ASP B OD1 
2467 O OD2 . ASP B 34  ? 0.4456 0.5006 0.5025 -0.0254 0.0483  -0.0082 279 ASP B OD2 
2472 N N   . SER B 35  ? 0.2096 0.2639 0.2552 -0.0219 0.0384  -0.0107 280 SER B N   
2473 C CA  . SER B 35  ? 0.1962 0.2557 0.2406 -0.0211 0.0351  -0.0133 280 SER B CA  
2474 C C   . SER B 35  ? 0.1794 0.2357 0.2300 -0.0209 0.0347  -0.0155 280 SER B C   
2475 O O   . SER B 35  ? 0.1827 0.2453 0.2380 -0.0207 0.0325  -0.0203 280 SER B O   
2476 C CB  . SER B 35  ? 0.2073 0.2644 0.2399 -0.0201 0.0338  -0.0088 280 SER B CB  
2477 O OG  . SER B 35  ? 0.1844 0.2461 0.2115 -0.0202 0.0338  -0.0075 280 SER B OG  
2483 N N   . ILE B 36  ? 0.1749 0.2213 0.2254 -0.0209 0.0368  -0.0120 281 ILE B N   
2484 C CA  . ILE B 36  ? 0.1809 0.2236 0.2382 -0.0208 0.0367  -0.0140 281 ILE B CA  
2485 C C   . ILE B 36  ? 0.1724 0.2217 0.2413 -0.0216 0.0369  -0.0203 281 ILE B C   
2486 O O   . ILE B 36  ? 0.1913 0.2443 0.2658 -0.0214 0.0352  -0.0245 281 ILE B O   
2487 C CB  . ILE B 36  ? 0.2205 0.2514 0.2763 -0.0209 0.0393  -0.0092 281 ILE B CB  
2488 C CG1 . ILE B 36  ? 0.2574 0.2819 0.3022 -0.0201 0.0386  -0.0035 281 ILE B CG1 
2489 C CG2 . ILE B 36  ? 0.2778 0.3054 0.3427 -0.0211 0.0399  -0.0118 281 ILE B CG2 
2490 C CD1 . ILE B 36  ? 0.3327 0.3456 0.3749 -0.0202 0.0408  0.0014  281 ILE B CD1 
2502 N N   . THR B 37  ? 0.1928 0.2433 0.2656 -0.0226 0.0390  -0.0209 282 THR B N   
2503 C CA  A THR B 37  ? 0.2174 0.2736 0.3013 -0.0236 0.0394  -0.0267 282 THR B CA  
2504 C CA  B THR B 37  ? 0.2161 0.2723 0.3000 -0.0236 0.0394  -0.0267 282 THR B CA  
2505 C C   . THR B 37  ? 0.1988 0.2664 0.2846 -0.0236 0.0365  -0.0319 282 THR B C   
2506 O O   . THR B 37  ? 0.1854 0.2578 0.2796 -0.0241 0.0358  -0.0372 282 THR B O   
2507 C CB  A THR B 37  ? 0.2625 0.3174 0.3499 -0.0246 0.0423  -0.0260 282 THR B CB  
2508 C CB  B THR B 37  ? 0.2646 0.3197 0.3517 -0.0246 0.0422  -0.0260 282 THR B CB  
2509 O OG1 A THR B 37  ? 0.2842 0.3443 0.3664 -0.0248 0.0418  -0.0250 282 THR B OG1 
2510 O OG1 B THR B 37  ? 0.2771 0.3212 0.3619 -0.0247 0.0450  -0.0211 282 THR B OG1 
2511 C CG2 A THR B 37  ? 0.2773 0.3205 0.3618 -0.0246 0.0452  -0.0206 282 THR B CG2 
2512 C CG2 B THR B 37  ? 0.2561 0.3166 0.3549 -0.0257 0.0427  -0.0318 282 THR B CG2 
2525 N N   . ALA B 38  ? 0.1866 0.2586 0.2647 -0.0232 0.0350  -0.0304 283 ALA B N   
2526 C CA  . ALA B 38  ? 0.2013 0.2839 0.2803 -0.0233 0.0323  -0.0350 283 ALA B CA  
2527 C C   . ALA B 38  ? 0.1703 0.2545 0.2509 -0.0227 0.0301  -0.0379 283 ALA B C   
2528 O O   . ALA B 38  ? 0.1787 0.2706 0.2653 -0.0232 0.0285  -0.0435 283 ALA B O   
2529 C CB  . ALA B 38  ? 0.2276 0.3134 0.2968 -0.0228 0.0311  -0.0321 283 ALA B CB  
2535 N N   . CYS B 39  ? 0.1214 0.1985 0.1969 -0.0216 0.0298  -0.0342 284 CYS B N   
2536 C CA  . CYS B 39  ? 0.1042 0.1827 0.1815 -0.0210 0.0278  -0.0369 284 CYS B CA  
2537 C C   . CYS B 39  ? 0.1223 0.1995 0.2104 -0.0215 0.0288  -0.0407 284 CYS B C   
2538 O O   . CYS B 39  ? 0.1396 0.2226 0.2333 -0.0216 0.0272  -0.0458 284 CYS B O   
2539 C CB  . CYS B 39  ? 0.1322 0.2035 0.2011 -0.0197 0.0271  -0.0317 284 CYS B CB  
2540 S SG  . CYS B 39  ? 0.1876 0.2615 0.2435 -0.0190 0.0255  -0.0277 284 CYS B SG  
2545 N N   . LYS B 40  ? 0.1571 0.2267 0.2484 -0.0219 0.0314  -0.0384 285 LYS B N   
2546 C CA  . LYS B 40  ? 0.2032 0.2709 0.3048 -0.0224 0.0326  -0.0418 285 LYS B CA  
2547 C C   . LYS B 40  ? 0.2124 0.2894 0.3225 -0.0236 0.0323  -0.0482 285 LYS B C   
2548 O O   . LYS B 40  ? 0.2252 0.3044 0.3432 -0.0239 0.0319  -0.0528 285 LYS B O   
2549 C CB  . LYS B 40  ? 0.2485 0.3068 0.3517 -0.0227 0.0357  -0.0380 285 LYS B CB  
2550 C CG  . LYS B 40  ? 0.3345 0.3829 0.4305 -0.0217 0.0360  -0.0320 285 LYS B CG  
2551 C CD  . LYS B 40  ? 0.4370 0.4760 0.5346 -0.0222 0.0393  -0.0285 285 LYS B CD  
2552 C CE  . LYS B 40  ? 0.5072 0.5361 0.6003 -0.0214 0.0395  -0.0237 285 LYS B CE  
2553 N NZ  . LYS B 40  ? 0.5490 0.5685 0.6420 -0.0220 0.0427  -0.0197 285 LYS B NZ  
2567 N N   . GLU B 41  ? 0.2115 0.2937 0.3200 -0.0243 0.0324  -0.0486 286 GLU B N   
2568 C CA  . GLU B 41  ? 0.2273 0.3182 0.3436 -0.0255 0.0321  -0.0545 286 GLU B CA  
2569 C C   . GLU B 41  ? 0.2570 0.3562 0.3745 -0.0255 0.0293  -0.0595 286 GLU B C   
2570 O O   . GLU B 41  ? 0.3135 0.4191 0.4387 -0.0266 0.0289  -0.0651 286 GLU B O   
2571 C CB  . GLU B 41  ? 0.2134 0.3080 0.3270 -0.0262 0.0327  -0.0533 286 GLU B CB  
2572 C CG  . GLU B 41  ? 0.2391 0.3268 0.3545 -0.0267 0.0359  -0.0499 286 GLU B CG  
2573 C CD  . GLU B 41  ? 0.2689 0.3595 0.3805 -0.0272 0.0365  -0.0478 286 GLU B CD  
2574 O OE1 . GLU B 41  ? 0.2839 0.3817 0.3911 -0.0271 0.0343  -0.0488 286 GLU B OE1 
2575 O OE2 . GLU B 41  ? 0.2657 0.3512 0.3787 -0.0277 0.0392  -0.0452 286 GLU B OE2 
2582 N N   . VAL B 42  ? 0.2146 0.3137 0.3248 -0.0243 0.0273  -0.0577 287 VAL B N   
2583 C CA  . VAL B 42  ? 0.2400 0.3465 0.3511 -0.0242 0.0247  -0.0623 287 VAL B CA  
2584 C C   . VAL B 42  ? 0.2553 0.3572 0.3676 -0.0232 0.0242  -0.0622 287 VAL B C   
2585 O O   . VAL B 42  ? 0.3101 0.4159 0.4199 -0.0227 0.0220  -0.0640 287 VAL B O   
2586 C CB  . VAL B 42  ? 0.2575 0.3697 0.3596 -0.0238 0.0225  -0.0612 287 VAL B CB  
2587 C CG1 . VAL B 42  ? 0.2821 0.4002 0.3840 -0.0249 0.0228  -0.0620 287 VAL B CG1 
2588 C CG2 . VAL B 42  ? 0.2548 0.3603 0.3469 -0.0225 0.0224  -0.0548 287 VAL B CG2 
2598 N N   . GLY B 43  ? 0.2028 0.2965 0.3191 -0.0231 0.0262  -0.0603 288 GLY B N   
2599 C CA  . GLY B 43  ? 0.1959 0.2849 0.3145 -0.0222 0.0258  -0.0603 288 GLY B CA  
2600 C C   . GLY B 43  ? 0.1711 0.2566 0.2804 -0.0207 0.0242  -0.0559 288 GLY B C   
2601 O O   . GLY B 43  ? 0.1985 0.2844 0.3090 -0.0200 0.0227  -0.0574 288 GLY B O   
2605 N N   . ALA B 44  ? 0.1210 0.2027 0.2215 -0.0203 0.0246  -0.0503 289 ALA B N   
2606 C CA  . ALA B 44  ? 0.1398 0.2186 0.2307 -0.0190 0.0230  -0.0459 289 ALA B CA  
2607 C C   . ALA B 44  ? 0.1506 0.2194 0.2360 -0.0187 0.0249  -0.0392 289 ALA B C   
2608 O O   . ALA B 44  ? 0.1572 0.2214 0.2469 -0.0194 0.0273  -0.0384 289 ALA B O   
2609 C CB  . ALA B 44  ? 0.1654 0.2519 0.2493 -0.0190 0.0211  -0.0465 289 ALA B CB  
2615 N N   . GLN B 45  ? 0.1606 0.2259 0.2363 -0.0177 0.0238  -0.0344 290 GLN B N   
2616 C CA  . GLN B 45  ? 0.1621 0.2176 0.2314 -0.0173 0.0253  -0.0279 290 GLN B CA  
2617 C C   . GLN B 45  ? 0.1400 0.1962 0.1980 -0.0169 0.0244  -0.0238 290 GLN B C   
2618 O O   . GLN B 45  ? 0.1497 0.2105 0.2034 -0.0162 0.0220  -0.0246 290 GLN B O   
2619 C CB  . GLN B 45  ? 0.2119 0.2601 0.2819 -0.0164 0.0248  -0.0258 290 GLN B CB  
2620 C CG  . GLN B 45  ? 0.2734 0.3107 0.3371 -0.0162 0.0262  -0.0191 290 GLN B CG  
2621 C CD  . GLN B 45  ? 0.3084 0.3391 0.3743 -0.0154 0.0255  -0.0176 290 GLN B CD  
2622 O OE1 . GLN B 45  ? 0.3131 0.3451 0.3760 -0.0144 0.0231  -0.0175 290 GLN B OE1 
2623 N NE2 . GLN B 45  ? 0.3191 0.3429 0.3904 -0.0158 0.0276  -0.0167 290 GLN B NE2 
2632 N N   . LEU B 46  ? 0.1437 0.1951 0.1968 -0.0173 0.0264  -0.0195 291 LEU B N   
2633 C CA  . LEU B 46  ? 0.1510 0.2016 0.1929 -0.0169 0.0258  -0.0150 291 LEU B CA  
2634 C C   . LEU B 46  ? 0.1550 0.2013 0.1906 -0.0157 0.0240  -0.0119 291 LEU B C   
2635 O O   . LEU B 46  ? 0.1709 0.2089 0.2071 -0.0155 0.0246  -0.0092 291 LEU B O   
2636 C CB  . LEU B 46  ? 0.1557 0.1995 0.1940 -0.0175 0.0287  -0.0103 291 LEU B CB  
2637 C CG  . LEU B 46  ? 0.2056 0.2483 0.2327 -0.0173 0.0287  -0.0057 291 LEU B CG  
2638 C CD1 . LEU B 46  ? 0.2408 0.2940 0.2666 -0.0174 0.0273  -0.0088 291 LEU B CD1 
2639 C CD2 . LEU B 46  ? 0.2172 0.2524 0.2417 -0.0180 0.0319  -0.0013 291 LEU B CD2 
2651 N N   . VAL B 47  ? 0.1316 0.1834 0.1609 -0.0151 0.0217  -0.0120 292 VAL B N   
2652 C CA  . VAL B 47  ? 0.1257 0.1769 0.1526 -0.0141 0.0192  -0.0118 292 VAL B CA  
2653 C C   . VAL B 47  ? 0.1383 0.1788 0.1603 -0.0136 0.0197  -0.0060 292 VAL B C   
2654 O O   . VAL B 47  ? 0.1342 0.1691 0.1479 -0.0137 0.0207  -0.0007 292 VAL B O   
2655 C CB  . VAL B 47  ? 0.1398 0.1979 0.1595 -0.0136 0.0169  -0.0122 292 VAL B CB  
2656 C CG1 . VAL B 47  ? 0.1455 0.2002 0.1543 -0.0136 0.0176  -0.0067 292 VAL B CG1 
2657 C CG2 . VAL B 47  ? 0.1524 0.2108 0.1709 -0.0126 0.0144  -0.0126 292 VAL B CG2 
2667 N N   . VAL B 48  ? 0.1601 0.1976 0.1873 -0.0130 0.0188  -0.0070 293 VAL B N   
2668 C CA  . VAL B 48  ? 0.1831 0.2112 0.2060 -0.0124 0.0185  -0.0020 293 VAL B CA  
2669 C C   . VAL B 48  ? 0.1988 0.2297 0.2182 -0.0113 0.0155  -0.0022 293 VAL B C   
2670 O O   . VAL B 48  ? 0.2271 0.2637 0.2533 -0.0110 0.0140  -0.0071 293 VAL B O   
2671 C CB  . VAL B 48  ? 0.1804 0.2026 0.2120 -0.0126 0.0198  -0.0027 293 VAL B CB  
2672 C CG1 . VAL B 48  ? 0.2193 0.2329 0.2474 -0.0118 0.0188  0.0018  293 VAL B CG1 
2673 C CG2 . VAL B 48  ? 0.1528 0.1711 0.1871 -0.0137 0.0230  -0.0018 293 VAL B CG2 
2683 N N   . ILE B 49  ? 0.1866 0.2134 0.1957 -0.0109 0.0146  0.0029  294 ILE B N   
2684 C CA  . ILE B 49  ? 0.1932 0.2231 0.1978 -0.0099 0.0117  0.0030  294 ILE B CA  
2685 C C   . ILE B 49  ? 0.1908 0.2139 0.1971 -0.0092 0.0106  0.0051  294 ILE B C   
2686 O O   . ILE B 49  ? 0.2305 0.2443 0.2337 -0.0093 0.0116  0.0100  294 ILE B O   
2687 C CB  . ILE B 49  ? 0.2245 0.2538 0.2169 -0.0098 0.0112  0.0074  294 ILE B CB  
2688 C CG1 . ILE B 49  ? 0.2107 0.2457 0.2013 -0.0106 0.0126  0.0059  294 ILE B CG1 
2689 C CG2 . ILE B 49  ? 0.2674 0.3007 0.2556 -0.0088 0.0082  0.0070  294 ILE B CG2 
2690 C CD1 . ILE B 49  ? 0.1810 0.2154 0.1596 -0.0105 0.0124  0.0102  294 ILE B CD1 
2702 N N   . LYS B 50  ? 0.1571 0.1849 0.1683 -0.0084 0.0084  0.0015  295 LYS B N   
2703 C CA  . LYS B 50  ? 0.1634 0.1856 0.1776 -0.0077 0.0072  0.0030  295 LYS B CA  
2704 C C   . LYS B 50  ? 0.1920 0.2147 0.2000 -0.0067 0.0044  0.0050  295 LYS B C   
2705 O O   . LYS B 50  ? 0.2255 0.2425 0.2344 -0.0060 0.0032  0.0075  295 LYS B O   
2706 C CB  . LYS B 50  ? 0.1660 0.1921 0.1929 -0.0076 0.0072  -0.0029 295 LYS B CB  
2707 C CG  . LYS B 50  ? 0.2572 0.2818 0.2913 -0.0085 0.0099  -0.0049 295 LYS B CG  
2708 C CD  . LYS B 50  ? 0.3371 0.3506 0.3702 -0.0087 0.0114  0.0003  295 LYS B CD  
2709 C CE  . LYS B 50  ? 0.3591 0.3710 0.4009 -0.0096 0.0141  -0.0021 295 LYS B CE  
2710 N NZ  . LYS B 50  ? 0.3580 0.3590 0.3969 -0.0100 0.0160  0.0034  295 LYS B NZ  
2724 N N   . SER B 51  ? 0.2050 0.2343 0.2068 -0.0065 0.0032  0.0042  296 SER B N   
2725 C CA  . SER B 51  ? 0.2037 0.2339 0.1998 -0.0056 0.0005  0.0059  296 SER B CA  
2726 C C   . SER B 51  ? 0.1851 0.2180 0.1701 -0.0057 0.0001  0.0082  296 SER B C   
2727 O O   . SER B 51  ? 0.1917 0.2281 0.1749 -0.0064 0.0016  0.0072  296 SER B O   
2728 C CB  . SER B 51  ? 0.2142 0.2522 0.2176 -0.0050 -0.0013 0.0001  296 SER B CB  
2729 O OG  . SER B 51  ? 0.1885 0.2362 0.1925 -0.0054 -0.0012 -0.0047 296 SER B OG  
2735 N N   . ALA B 52  ? 0.1843 0.1930 0.2132 -0.0009 -0.0243 -0.0097 297 ALA B N   
2736 C CA  . ALA B 52  ? 0.2067 0.2152 0.2356 -0.0060 -0.0215 -0.0094 297 ALA B CA  
2737 C C   . ALA B 52  ? 0.2015 0.2023 0.2223 -0.0038 -0.0151 -0.0094 297 ALA B C   
2738 O O   . ALA B 52  ? 0.2065 0.2011 0.2207 -0.0066 -0.0141 -0.0099 297 ALA B O   
2739 C CB  . ALA B 52  ? 0.2178 0.2388 0.2602 -0.0099 -0.0201 -0.0079 297 ALA B CB  
2745 N N   . GLU B 53  ? 0.1848 0.1863 0.2064 0.0012  -0.0107 -0.0086 298 GLU B N   
2746 C CA  . GLU B 53  ? 0.2391 0.2332 0.2528 0.0037  -0.0047 -0.0085 298 GLU B CA  
2747 C C   . GLU B 53  ? 0.2120 0.1936 0.2117 0.0057  -0.0065 -0.0102 298 GLU B C   
2748 O O   . GLU B 53  ? 0.2095 0.1840 0.2014 0.0052  -0.0030 -0.0104 298 GLU B O   
2749 C CB  . GLU B 53  ? 0.3927 0.3894 0.4094 0.0090  -0.0002 -0.0076 298 GLU B CB  
2750 C CG  . GLU B 53  ? 0.6036 0.6081 0.6292 0.0076  0.0056  -0.0058 298 GLU B CG  
2751 C CD  . GLU B 53  ? 0.7706 0.7783 0.8000 0.0130  0.0095  -0.0048 298 GLU B CD  
2752 O OE1 . GLU B 53  ? 0.8126 0.8246 0.8467 0.0155  0.0062  -0.0047 298 GLU B OE1 
2753 O OE2 . GLU B 53  ? 0.8265 0.8324 0.8542 0.0147  0.0158  -0.0041 298 GLU B OE2 
2760 N N   . GLU B 54  ? 0.2006 0.1790 0.1966 0.0083  -0.0116 -0.0113 299 GLU B N   
2761 C CA  . GLU B 54  ? 0.1995 0.1664 0.1824 0.0100  -0.0137 -0.0129 299 GLU B CA  
2762 C C   . GLU B 54  ? 0.1913 0.1547 0.1704 0.0047  -0.0162 -0.0135 299 GLU B C   
2763 O O   . GLU B 54  ? 0.2074 0.1618 0.1764 0.0047  -0.0146 -0.0141 299 GLU B O   
2764 C CB  . GLU B 54  ? 0.2087 0.1741 0.1898 0.0136  -0.0190 -0.0140 299 GLU B CB  
2765 C CG  . GLU B 54  ? 0.2422 0.1957 0.2098 0.0162  -0.0209 -0.0156 299 GLU B CG  
2766 C CD  . GLU B 54  ? 0.2604 0.2128 0.2266 0.0195  -0.0263 -0.0167 299 GLU B CD  
2767 O OE1 . GLU B 54  ? 0.2738 0.2168 0.2293 0.0227  -0.0275 -0.0181 299 GLU B OE1 
2768 O OE2 . GLU B 54  ? 0.2484 0.2093 0.2244 0.0191  -0.0291 -0.0161 299 GLU B OE2 
2775 N N   . GLN B 55  ? 0.1898 0.1602 0.1770 -0.0001 -0.0201 -0.0133 300 GLN B N   
2776 C CA  . GLN B 55  ? 0.2025 0.1704 0.1872 -0.0056 -0.0223 -0.0139 300 GLN B CA  
2777 C C   . GLN B 55  ? 0.2204 0.1861 0.2031 -0.0079 -0.0164 -0.0131 300 GLN B C   
2778 O O   . GLN B 55  ? 0.2428 0.2003 0.2167 -0.0094 -0.0162 -0.0138 300 GLN B O   
2779 C CB  . GLN B 55  ? 0.2029 0.1801 0.1979 -0.0104 -0.0268 -0.0136 300 GLN B CB  
2780 C CG  . GLN B 55  ? 0.2021 0.1807 0.1992 -0.0169 -0.0266 -0.0135 300 GLN B CG  
2781 C CD  . GLN B 55  ? 0.2167 0.1852 0.2030 -0.0187 -0.0290 -0.0148 300 GLN B CD  
2782 O OE1 . GLN B 55  ? 0.2255 0.1866 0.2035 -0.0157 -0.0323 -0.0160 300 GLN B OE1 
2783 N NE2 . GLN B 55  ? 0.2290 0.1971 0.2156 -0.0238 -0.0272 -0.0146 300 GLN B NE2 
2792 N N   . ASN B 56  ? 0.1941 0.1670 0.1848 -0.0081 -0.0114 -0.0117 301 ASN B N   
2793 C CA  . ASN B 56  ? 0.2054 0.1769 0.1951 -0.0104 -0.0055 -0.0109 301 ASN B CA  
2794 C C   . ASN B 56  ? 0.2036 0.1642 0.1810 -0.0065 -0.0019 -0.0113 301 ASN B C   
2795 O O   . ASN B 56  ? 0.2084 0.1633 0.1798 -0.0087 0.0003  -0.0113 301 ASN B O   
2796 C CB  . ASN B 56  ? 0.2267 0.2079 0.2273 -0.0107 -0.0007 -0.0093 301 ASN B CB  
2797 C CG  . ASN B 56  ? 0.2433 0.2359 0.2565 -0.0151 -0.0039 -0.0087 301 ASN B CG  
2798 O OD1 . ASN B 56  ? 0.2657 0.2586 0.2793 -0.0191 -0.0088 -0.0095 301 ASN B OD1 
2799 N ND2 . ASN B 56  ? 0.2392 0.2411 0.2625 -0.0143 -0.0011 -0.0074 301 ASN B ND2 
2806 N N   . PHE B 57  ? 0.1963 0.1541 0.1700 -0.0006 -0.0013 -0.0115 302 PHE B N   
2807 C CA  . PHE B 57  ? 0.2030 0.1508 0.1650 0.0035  0.0018  -0.0120 302 PHE B CA  
2808 C C   . PHE B 57  ? 0.2229 0.1609 0.1738 0.0025  -0.0019 -0.0133 302 PHE B C   
2809 O O   . PHE B 57  ? 0.2309 0.1617 0.1736 0.0022  0.0013  -0.0133 302 PHE B O   
2810 C CB  . PHE B 57  ? 0.2055 0.1533 0.1668 0.0097  0.0022  -0.0122 302 PHE B CB  
2811 C CG  . PHE B 57  ? 0.2491 0.1859 0.1973 0.0144  0.0032  -0.0132 302 PHE B CG  
2812 C CD1 . PHE B 57  ? 0.2817 0.2135 0.2239 0.0163  0.0093  -0.0126 302 PHE B CD1 
2813 C CD2 . PHE B 57  ? 0.2891 0.2210 0.2314 0.0171  -0.0020 -0.0146 302 PHE B CD2 
2814 C CE1 . PHE B 57  ? 0.3257 0.2477 0.2559 0.0206  0.0101  -0.0136 302 PHE B CE1 
2815 C CE2 . PHE B 57  ? 0.3245 0.2463 0.2546 0.0214  -0.0012 -0.0156 302 PHE B CE2 
2816 C CZ  . PHE B 57  ? 0.3446 0.2617 0.2688 0.0231  0.0049  -0.0151 302 PHE B CZ  
2826 N N   . LEU B 58  ? 0.2231 0.1609 0.1737 0.0019  -0.0085 -0.0144 303 LEU B N   
2827 C CA  . LEU B 58  ? 0.2105 0.1392 0.1509 0.0010  -0.0124 -0.0157 303 LEU B CA  
2828 C C   . LEU B 58  ? 0.2048 0.1329 0.1454 -0.0050 -0.0122 -0.0154 303 LEU B C   
2829 O O   . LEU B 58  ? 0.2214 0.1409 0.1524 -0.0055 -0.0115 -0.0158 303 LEU B O   
2830 C CB  . LEU B 58  ? 0.2127 0.1420 0.1537 0.0016  -0.0195 -0.0169 303 LEU B CB  
2831 C CG  . LEU B 58  ? 0.2331 0.1618 0.1727 0.0076  -0.0202 -0.0174 303 LEU B CG  
2832 C CD1 . LEU B 58  ? 0.2154 0.1479 0.1595 0.0074  -0.0269 -0.0182 303 LEU B CD1 
2833 C CD2 . LEU B 58  ? 0.2646 0.1822 0.1910 0.0118  -0.0190 -0.0183 303 LEU B CD2 
2845 N N   . GLN B 59  ? 0.1901 0.1272 0.1415 -0.0095 -0.0130 -0.0148 304 GLN B N   
2846 C CA  . GLN B 59  ? 0.1988 0.1360 0.1512 -0.0155 -0.0129 -0.0146 304 GLN B CA  
2847 C C   . GLN B 59  ? 0.2406 0.1737 0.1889 -0.0160 -0.0063 -0.0137 304 GLN B C   
2848 O O   . GLN B 59  ? 0.2427 0.1701 0.1853 -0.0190 -0.0061 -0.0138 304 GLN B O   
2849 C CB  . GLN B 59  ? 0.2092 0.1575 0.1746 -0.0200 -0.0144 -0.0140 304 GLN B CB  
2850 C CG  . GLN B 59  ? 0.2550 0.2036 0.2218 -0.0266 -0.0157 -0.0142 304 GLN B CG  
2851 C CD  . GLN B 59  ? 0.2518 0.1965 0.2144 -0.0283 -0.0226 -0.0156 304 GLN B CD  
2852 O OE1 . GLN B 59  ? 0.2465 0.1955 0.2134 -0.0277 -0.0275 -0.0161 304 GLN B OE1 
2853 N NE2 . GLN B 59  ? 0.2311 0.1674 0.1851 -0.0302 -0.0229 -0.0161 304 GLN B NE2 
2862 N N   . LEU B 60  ? 0.2655 0.2017 0.2169 -0.0132 -0.0008 -0.0126 305 LEU B N   
2863 C CA  . LEU B 60  ? 0.2976 0.2304 0.2454 -0.0134 0.0058  -0.0116 305 LEU B CA  
2864 C C   . LEU B 60  ? 0.2750 0.1958 0.2089 -0.0108 0.0062  -0.0122 305 LEU B C   
2865 O O   . LEU B 60  ? 0.2808 0.1969 0.2100 -0.0131 0.0092  -0.0118 305 LEU B O   
2866 C CB  . LEU B 60  ? 0.3973 0.3349 0.3501 -0.0099 0.0112  -0.0105 305 LEU B CB  
2867 C CG  . LEU B 60  ? 0.5387 0.4874 0.5045 -0.0132 0.0139  -0.0093 305 LEU B CG  
2868 C CD1 . LEU B 60  ? 0.5750 0.5296 0.5468 -0.0090 0.0170  -0.0085 305 LEU B CD1 
2869 C CD2 . LEU B 60  ? 0.6122 0.5598 0.5777 -0.0167 0.0192  -0.0083 305 LEU B CD2 
2881 N N   . GLN B 61  ? 0.2816 0.1976 0.2089 -0.0062 0.0033  -0.0133 306 GLN B N   
2882 C CA  . GLN B 61  ? 0.2992 0.2039 0.2131 -0.0034 0.0038  -0.0138 306 GLN B CA  
2883 C C   . GLN B 61  ? 0.2603 0.1594 0.1686 -0.0070 -0.0005 -0.0146 306 GLN B C   
2884 O O   . GLN B 61  ? 0.2655 0.1573 0.1656 -0.0075 0.0017  -0.0144 306 GLN B O   
2885 C CB  . GLN B 61  ? 0.3452 0.2468 0.2542 0.0025  0.0018  -0.0148 306 GLN B CB  
2886 C CG  . GLN B 61  ? 0.3750 0.2652 0.2700 0.0056  0.0012  -0.0156 306 GLN B CG  
2887 C CD  . GLN B 61  ? 0.3966 0.2817 0.2852 0.0069  0.0077  -0.0147 306 GLN B CD  
2888 O OE1 . GLN B 61  ? 0.3908 0.2806 0.2851 0.0061  0.0130  -0.0134 306 GLN B OE1 
2889 N NE2 . GLN B 61  ? 0.4180 0.2932 0.2943 0.0089  0.0072  -0.0153 306 GLN B NE2 
2898 N N   . SER B 62  ? 0.2584 0.1611 0.1713 -0.0095 -0.0065 -0.0155 307 SER B N   
2899 C CA  A SER B 62  ? 0.3010 0.1993 0.2099 -0.0134 -0.0106 -0.0161 307 SER B CA  
2900 C CA  B SER B 62  ? 0.3043 0.2026 0.2132 -0.0134 -0.0106 -0.0161 307 SER B CA  
2901 C C   . SER B 62  ? 0.2880 0.1877 0.1998 -0.0187 -0.0071 -0.0151 307 SER B C   
2902 O O   . SER B 62  ? 0.3116 0.2043 0.2162 -0.0206 -0.0070 -0.0152 307 SER B O   
2903 C CB  A SER B 62  ? 0.3405 0.2437 0.2552 -0.0153 -0.0174 -0.0171 307 SER B CB  
2904 C CB  B SER B 62  ? 0.3421 0.2453 0.2568 -0.0154 -0.0174 -0.0171 307 SER B CB  
2905 O OG  A SER B 62  ? 0.3768 0.2783 0.2885 -0.0105 -0.0207 -0.0181 307 SER B OG  
2906 O OG  B SER B 62  ? 0.3779 0.2778 0.2901 -0.0199 -0.0209 -0.0177 307 SER B OG  
2915 N N   . SER B 63  ? 0.2764 0.1851 0.1990 -0.0211 -0.0042 -0.0142 308 SER B N   
2916 C CA  . SER B 63  ? 0.3129 0.2236 0.2392 -0.0262 -0.0007 -0.0133 308 SER B CA  
2917 C C   . SER B 63  ? 0.3317 0.2356 0.2503 -0.0247 0.0054  -0.0123 308 SER B C   
2918 O O   . SER B 63  ? 0.3464 0.2453 0.2605 -0.0278 0.0064  -0.0121 308 SER B O   
2919 C CB  . SER B 63  ? 0.3880 0.3103 0.3276 -0.0285 0.0014  -0.0124 308 SER B CB  
2920 O OG  . SER B 63  ? 0.4614 0.3856 0.4046 -0.0334 0.0050  -0.0116 308 SER B OG  
2926 N N   . ARG B 64  ? 0.3406 0.2443 0.2577 -0.0201 0.0097  -0.0117 309 ARG B N   
2927 C CA  . ARG B 64  ? 0.3933 0.2913 0.3039 -0.0185 0.0159  -0.0107 309 ARG B CA  
2928 C C   . ARG B 64  ? 0.3580 0.2449 0.2554 -0.0169 0.0144  -0.0112 309 ARG B C   
2929 O O   . ARG B 64  ? 0.3552 0.2368 0.2472 -0.0182 0.0181  -0.0104 309 ARG B O   
2930 C CB  . ARG B 64  ? 0.4786 0.3784 0.3899 -0.0135 0.0203  -0.0101 309 ARG B CB  
2931 C CG  . ARG B 64  ? 0.5894 0.4994 0.5127 -0.0148 0.0241  -0.0091 309 ARG B CG  
2932 C CD  . ARG B 64  ? 0.7153 0.6260 0.6380 -0.0092 0.0284  -0.0085 309 ARG B CD  
2933 N NE  . ARG B 64  ? 0.7659 0.6737 0.6839 -0.0043 0.0245  -0.0097 309 ARG B NE  
2934 C CZ  . ARG B 64  ? 0.6884 0.6021 0.6125 -0.0013 0.0238  -0.0098 309 ARG B CZ  
2935 N NH1 . ARG B 64  ? 0.7349 0.6579 0.6701 -0.0025 0.0267  -0.0088 309 ARG B NH1 
2936 N NH2 . ARG B 64  ? 0.5342 0.4444 0.4532 0.0029  0.0202  -0.0110 309 ARG B NH2 
2950 N N   . SER B 65  ? 0.3428 0.2259 0.2348 -0.0139 0.0093  -0.0125 310 SER B N   
2951 C CA  . SER B 65  ? 0.3355 0.2080 0.2148 -0.0121 0.0075  -0.0131 310 SER B CA  
2952 C C   . SER B 65  ? 0.3041 0.1736 0.1817 -0.0169 0.0035  -0.0135 310 SER B C   
2953 O O   . SER B 65  ? 0.2924 0.1533 0.1599 -0.0162 0.0025  -0.0137 310 SER B O   
2954 C CB  . SER B 65  ? 0.3598 0.2295 0.2342 -0.0071 0.0037  -0.0143 310 SER B CB  
2955 O OG  . SER B 65  ? 0.3684 0.2417 0.2475 -0.0086 -0.0027 -0.0155 310 SER B OG  
2961 N N   . ASN B 66  ? 0.2890 0.2570 0.1965 -0.0215 -0.0171 0.0432  311 ASN B N   
2962 C CA  . ASN B 66  ? 0.3067 0.2607 0.2112 -0.0239 -0.0153 0.0412  311 ASN B CA  
2963 C C   . ASN B 66  ? 0.2938 0.2446 0.2082 -0.0198 -0.0118 0.0334  311 ASN B C   
2964 O O   . ASN B 66  ? 0.2958 0.2393 0.2122 -0.0179 -0.0114 0.0289  311 ASN B O   
2965 C CB  . ASN B 66  ? 0.3224 0.2707 0.2208 -0.0244 -0.0185 0.0422  311 ASN B CB  
2966 C CG  . ASN B 66  ? 0.3325 0.2665 0.2243 -0.0289 -0.0172 0.0428  311 ASN B CG  
2967 O OD1 . ASN B 66  ? 0.3465 0.2744 0.2390 -0.0312 -0.0138 0.0419  311 ASN B OD1 
2968 N ND2 . ASN B 66  ? 0.3114 0.2399 0.1968 -0.0300 -0.0200 0.0443  311 ASN B ND2 
2975 N N   . ARG B 67  ? 0.2591 0.2160 0.1803 -0.0183 -0.0091 0.0317  312 ARG B N   
2976 C CA  . ARG B 67  ? 0.2466 0.2013 0.1775 -0.0145 -0.0055 0.0244  312 ARG B CA  
2977 C C   . ARG B 67  ? 0.2682 0.2175 0.1987 -0.0181 -0.0016 0.0249  312 ARG B C   
2978 O O   . ARG B 67  ? 0.3126 0.2678 0.2416 -0.0201 -0.0013 0.0289  312 ARG B O   
2979 C CB  . ARG B 67  ? 0.2635 0.2307 0.2044 -0.0085 -0.0057 0.0208  312 ARG B CB  
2980 C CG  . ARG B 67  ? 0.2980 0.2691 0.2417 -0.0038 -0.0087 0.0181  312 ARG B CG  
2981 C CD  . ARG B 67  ? 0.3090 0.2928 0.2620 0.0018  -0.0089 0.0151  312 ARG B CD  
2982 N NE  . ARG B 67  ? 0.3600 0.3471 0.3168 0.0067  -0.0115 0.0116  312 ARG B NE  
2983 C CZ  . ARG B 67  ? 0.4646 0.4616 0.4303 0.0124  -0.0118 0.0078  312 ARG B CZ  
2984 N NH1 . ARG B 67  ? 0.5034 0.5080 0.4751 0.0138  -0.0097 0.0070  312 ARG B NH1 
2985 N NH2 . ARG B 67  ? 0.5132 0.5126 0.4817 0.0166  -0.0142 0.0047  312 ARG B NH2 
2999 N N   . PHE B 68  ? 0.2666 0.2046 0.1981 -0.0188 0.0012  0.0209  313 PHE B N   
3000 C CA  . PHE B 68  ? 0.2766 0.2091 0.2094 -0.0213 0.0054  0.0200  313 PHE B CA  
3001 C C   . PHE B 68  ? 0.2366 0.1765 0.1807 -0.0163 0.0079  0.0146  313 PHE B C   
3002 O O   . PHE B 68  ? 0.2291 0.1699 0.1810 -0.0112 0.0084  0.0083  313 PHE B O   
3003 C CB  . PHE B 68  ? 0.3305 0.2488 0.2612 -0.0234 0.0076  0.0171  313 PHE B CB  
3004 C CG  . PHE B 68  ? 0.3963 0.3068 0.3159 -0.0282 0.0052  0.0221  313 PHE B CG  
3005 C CD1 . PHE B 68  ? 0.4237 0.3328 0.3345 -0.0340 0.0047  0.0290  313 PHE B CD1 
3006 C CD2 . PHE B 68  ? 0.4245 0.3290 0.3427 -0.0270 0.0035  0.0199  313 PHE B CD2 
3007 C CE1 . PHE B 68  ? 0.4343 0.3361 0.3348 -0.0386 0.0025  0.0337  313 PHE B CE1 
3008 C CE2 . PHE B 68  ? 0.4381 0.3354 0.3461 -0.0315 0.0012  0.0246  313 PHE B CE2 
3009 C CZ  . PHE B 68  ? 0.4325 0.3285 0.3316 -0.0373 0.0008  0.0315  313 PHE B CZ  
3019 N N   . THR B 69  ? 0.2284 0.1734 0.1734 -0.0178 0.0095  0.0169  314 THR B N   
3020 C CA  . THR B 69  ? 0.2204 0.1754 0.1751 -0.0131 0.0110  0.0134  314 THR B CA  
3021 C C   . THR B 69  ? 0.2186 0.1712 0.1755 -0.0150 0.0150  0.0127  314 THR B C   
3022 O O   . THR B 69  ? 0.2210 0.1722 0.1711 -0.0198 0.0152  0.0182  314 THR B O   
3023 C CB  . THR B 69  ? 0.2167 0.1849 0.1705 -0.0120 0.0075  0.0178  314 THR B CB  
3024 O OG1 . THR B 69  ? 0.2187 0.1890 0.1702 -0.0102 0.0037  0.0184  314 THR B OG1 
3025 C CG2 . THR B 69  ? 0.2174 0.1965 0.1813 -0.0070 0.0088  0.0142  314 THR B CG2 
3033 N N   . TRP B 70  ? 0.2152 0.1678 0.1816 -0.0110 0.0182  0.0060  315 TRP B N   
3034 C CA  . TRP B 70  ? 0.2224 0.1730 0.1917 -0.0123 0.0222  0.0048  315 TRP B CA  
3035 C C   . TRP B 70  ? 0.2219 0.1839 0.1923 -0.0121 0.0217  0.0084  315 TRP B C   
3036 O O   . TRP B 70  ? 0.2235 0.1967 0.1980 -0.0084 0.0194  0.0083  315 TRP B O   
3037 C CB  . TRP B 70  ? 0.2234 0.1722 0.2032 -0.0077 0.0256  -0.0034 315 TRP B CB  
3038 C CG  . TRP B 70  ? 0.2390 0.1760 0.2194 -0.0076 0.0274  -0.0082 315 TRP B CG  
3039 C CD1 . TRP B 70  ? 0.2569 0.1936 0.2446 -0.0027 0.0275  -0.0147 315 TRP B CD1 
3040 C CD2 . TRP B 70  ? 0.2442 0.1682 0.2185 -0.0125 0.0294  -0.0073 315 TRP B CD2 
3041 N NE1 . TRP B 70  ? 0.2556 0.1799 0.2419 -0.0043 0.0295  -0.0178 315 TRP B NE1 
3042 C CE2 . TRP B 70  ? 0.2512 0.1675 0.2293 -0.0103 0.0307  -0.0133 315 TRP B CE2 
3043 C CE3 . TRP B 70  ? 0.2529 0.1710 0.2189 -0.0185 0.0303  -0.0019 315 TRP B CE3 
3044 C CZ2 . TRP B 70  ? 0.2696 0.1727 0.2434 -0.0139 0.0328  -0.0141 315 TRP B CZ2 
3045 C CZ3 . TRP B 70  ? 0.2681 0.1730 0.2297 -0.0221 0.0323  -0.0027 315 TRP B CZ3 
3046 C CH2 . TRP B 70  ? 0.2725 0.1700 0.2381 -0.0198 0.0336  -0.0087 315 TRP B CH2 
3057 N N   . MET B 71  ? 0.2078 0.1668 0.1752 -0.0160 0.0240  0.0110  316 MET B N   
3058 C CA  . MET B 71  ? 0.2024 0.1708 0.1727 -0.0155 0.0247  0.0128  316 MET B CA  
3059 C C   . MET B 71  ? 0.2000 0.1644 0.1764 -0.0147 0.0294  0.0082  316 MET B C   
3060 O O   . MET B 71  ? 0.2032 0.1569 0.1803 -0.0154 0.0321  0.0044  316 MET B O   
3061 C CB  . MET B 71  ? 0.2055 0.1750 0.1661 -0.0211 0.0230  0.0209  316 MET B CB  
3062 C CG  . MET B 71  ? 0.2318 0.1896 0.1864 -0.0265 0.0257  0.0227  316 MET B CG  
3063 S SD  . MET B 71  ? 0.2602 0.2188 0.2028 -0.0331 0.0232  0.0324  316 MET B SD  
3064 C CE  . MET B 71  ? 0.2967 0.2509 0.2319 -0.0347 0.0194  0.0349  316 MET B CE  
3074 N N   . GLY B 72  ? 0.1958 0.1687 0.1766 -0.0132 0.0304  0.0085  317 GLY B N   
3075 C CA  . GLY B 72  ? 0.2062 0.1765 0.1934 -0.0119 0.0348  0.0038  317 GLY B CA  
3076 C C   . GLY B 72  ? 0.2158 0.1779 0.1968 -0.0175 0.0372  0.0071  317 GLY B C   
3077 O O   . GLY B 72  ? 0.2007 0.1672 0.1834 -0.0179 0.0387  0.0082  317 GLY B O   
3081 N N   . LEU B 73  ? 0.2323 0.1824 0.2065 -0.0216 0.0377  0.0083  318 LEU B N   
3082 C CA  . LEU B 73  ? 0.2314 0.1730 0.1986 -0.0274 0.0397  0.0118  318 LEU B CA  
3083 C C   . LEU B 73  ? 0.2289 0.1563 0.1945 -0.0293 0.0423  0.0084  318 LEU B C   
3084 O O   . LEU B 73  ? 0.2283 0.1513 0.1924 -0.0288 0.0408  0.0072  318 LEU B O   
3085 C CB  . LEU B 73  ? 0.2559 0.1990 0.2128 -0.0321 0.0363  0.0199  318 LEU B CB  
3086 C CG  . LEU B 73  ? 0.2767 0.2117 0.2251 -0.0384 0.0377  0.0247  318 LEU B CG  
3087 C CD1 . LEU B 73  ? 0.2548 0.1951 0.2058 -0.0385 0.0396  0.0256  318 LEU B CD1 
3088 C CD2 . LEU B 73  ? 0.3133 0.2485 0.2515 -0.0427 0.0339  0.0319  318 LEU B CD2 
3100 N N   . SER B 74  ? 0.2159 0.1361 0.1819 -0.0314 0.0462  0.0069  319 SER B N   
3101 C CA  . SER B 74  ? 0.2710 0.1777 0.2358 -0.0332 0.0490  0.0035  319 SER B CA  
3102 C C   . SER B 74  ? 0.2897 0.1884 0.2499 -0.0380 0.0521  0.0055  319 SER B C   
3103 O O   . SER B 74  ? 0.2842 0.1882 0.2448 -0.0387 0.0529  0.0078  319 SER B O   
3104 C CB  . SER B 74  ? 0.3033 0.2092 0.2785 -0.0280 0.0517  -0.0050 319 SER B CB  
3105 O OG  . SER B 74  ? 0.3321 0.2395 0.3132 -0.0267 0.0552  -0.0079 319 SER B OG  
3111 N N   . ASP B 75  ? 0.3284 0.2140 0.2845 -0.0413 0.0540  0.0044  320 ASP B N   
3112 C CA  . ASP B 75  ? 0.3330 0.2097 0.2866 -0.0450 0.0578  0.0045  320 ASP B CA  
3113 C C   . ASP B 75  ? 0.3708 0.2393 0.3309 -0.0428 0.0618  -0.0032 320 ASP B C   
3114 O O   . ASP B 75  ? 0.4153 0.2723 0.3720 -0.0463 0.0645  -0.0040 320 ASP B O   
3115 C CB  . ASP B 75  ? 0.3213 0.1896 0.2633 -0.0516 0.0568  0.0107  320 ASP B CB  
3116 C CG  . ASP B 75  ? 0.3358 0.1937 0.2739 -0.0532 0.0564  0.0094  320 ASP B CG  
3117 O OD1 . ASP B 75  ? 0.3501 0.2083 0.2935 -0.0493 0.0559  0.0047  320 ASP B OD1 
3118 O OD2 . ASP B 75  ? 0.3478 0.2002 0.2786 -0.0572 0.0552  0.0130  320 ASP B OD2 
3123 N N   . LEU B 76  ? 0.4712 0.2785 0.2559 -0.0587 0.0917  0.0016  321 LEU B N   
3124 C CA  . LEU B 76  ? 0.4737 0.2714 0.2625 -0.0582 0.1012  -0.0054 321 LEU B CA  
3125 C C   . LEU B 76  ? 0.5170 0.2994 0.2897 -0.0522 0.1063  -0.0007 321 LEU B C   
3126 O O   . LEU B 76  ? 0.5378 0.3084 0.3015 -0.0528 0.1102  -0.0044 321 LEU B O   
3127 C CB  . LEU B 76  ? 0.4544 0.2606 0.2695 -0.0578 0.1068  -0.0110 321 LEU B CB  
3128 C CG  . LEU B 76  ? 0.4222 0.2411 0.2556 -0.0637 0.1035  -0.0192 321 LEU B CG  
3129 C CD1 . LEU B 76  ? 0.3837 0.2152 0.2420 -0.0612 0.1052  -0.0223 321 LEU B CD1 
3130 C CD2 . LEU B 76  ? 0.4462 0.2564 0.2773 -0.0671 0.1062  -0.0273 321 LEU B CD2 
3142 N N   . ASN B 77  ? 0.5566 0.3390 0.3268 -0.0465 0.1066  0.0072  322 ASN B N   
3143 C CA  . ASN B 77  ? 0.6581 0.4269 0.4154 -0.0407 0.1121  0.0112  322 ASN B CA  
3144 C C   . ASN B 77  ? 0.6497 0.4085 0.3818 -0.0398 0.1068  0.0155  322 ASN B C   
3145 O O   . ASN B 77  ? 0.6502 0.3958 0.3710 -0.0378 0.1119  0.0147  322 ASN B O   
3146 C CB  . ASN B 77  ? 0.7597 0.5321 0.5225 -0.0348 0.1136  0.0185  322 ASN B CB  
3147 C CG  . ASN B 77  ? 0.8500 0.6290 0.6367 -0.0343 0.1205  0.0136  322 ASN B CG  
3148 O OD1 . ASN B 77  ? 0.8942 0.6717 0.6911 -0.0371 0.1252  0.0048  322 ASN B OD1 
3149 N ND2 . ASN B 77  ? 0.8639 0.6499 0.6593 -0.0304 0.1204  0.0192  322 ASN B ND2 
3156 N N   . GLN B 78  ? 0.6181 0.3834 0.3413 -0.0409 0.0958  0.0202  323 GLN B N   
3157 C CA  . GLN B 78  ? 0.6118 0.3698 0.3126 -0.0399 0.0885  0.0239  323 GLN B CA  
3158 C C   . GLN B 78  ? 0.5481 0.3151 0.2462 -0.0450 0.0769  0.0224  323 GLN B C   
3159 O O   . GLN B 78  ? 0.5021 0.2803 0.2035 -0.0446 0.0677  0.0272  323 GLN B O   
3160 C CB  . GLN B 78  ? 0.6892 0.4449 0.3790 -0.0329 0.0845  0.0343  323 GLN B CB  
3161 C CG  . GLN B 78  ? 0.7912 0.5373 0.4593 -0.0309 0.0797  0.0373  323 GLN B CG  
3162 C CD  . GLN B 78  ? 0.9057 0.6491 0.5651 -0.0237 0.0776  0.0469  323 GLN B CD  
3163 O OE1 . GLN B 78  ? 0.9562 0.6880 0.6070 -0.0204 0.0843  0.0479  323 GLN B OE1 
3164 N NE2 . GLN B 78  ? 0.9409 0.6955 0.6036 -0.0212 0.0680  0.0538  323 GLN B NE2 
3173 N N   . GLU B 79  ? 0.5375 0.2998 0.2296 -0.0495 0.0765  0.0158  324 GLU B N   
3174 C CA  . GLU B 79  ? 0.5297 0.3011 0.2206 -0.0548 0.0655  0.0128  324 GLU B CA  
3175 C C   . GLU B 79  ? 0.5263 0.3036 0.2061 -0.0517 0.0513  0.0210  324 GLU B C   
3176 O O   . GLU B 79  ? 0.5548 0.3246 0.2199 -0.0470 0.0490  0.0265  324 GLU B O   
3177 C CB  . GLU B 79  ? 0.5305 0.2935 0.2141 -0.0585 0.0673  0.0059  324 GLU B CB  
3178 C CG  . GLU B 79  ? 0.5156 0.2877 0.1985 -0.0638 0.0556  0.0023  324 GLU B CG  
3179 C CD  . GLU B 79  ? 0.4699 0.2562 0.1722 -0.0691 0.0541  -0.0033 324 GLU B CD  
3180 O OE1 . GLU B 79  ? 0.4450 0.2312 0.1620 -0.0705 0.0647  -0.0077 324 GLU B OE1 
3181 O OE2 . GLU B 79  ? 0.4602 0.2594 0.1660 -0.0716 0.0414  -0.0036 324 GLU B OE2 
3188 N N   . GLY B 80  ? 0.5097 0.3048 0.2042 -0.0537 0.0402  0.0206  325 GLY B N   
3189 C CA  . GLY B 80  ? 0.4996 0.3046 0.1903 -0.0506 0.0253  0.0276  325 GLY B CA  
3190 C C   . GLY B 80  ? 0.5178 0.3301 0.2173 -0.0445 0.0233  0.0357  325 GLY B C   
3191 O O   . GLY B 80  ? 0.5543 0.3787 0.2564 -0.0424 0.0103  0.0409  325 GLY B O   
3195 N N   . THR B 81  ? 0.5113 0.3166 0.2153 -0.0416 0.0358  0.0370  326 THR B N   
3196 C CA  . THR B 81  ? 0.5017 0.3134 0.2152 -0.0359 0.0354  0.0443  326 THR B CA  
3197 C C   . THR B 81  ? 0.4333 0.2578 0.1740 -0.0382 0.0394  0.0396  326 THR B C   
3198 O O   . THR B 81  ? 0.4387 0.2562 0.1852 -0.0402 0.0524  0.0344  326 THR B O   
3199 C CB  . THR B 81  ? 0.5744 0.3689 0.2730 -0.0306 0.0464  0.0498  326 THR B CB  
3200 O OG1 . THR B 81  ? 0.5919 0.3762 0.2670 -0.0284 0.0418  0.0540  326 THR B OG1 
3201 C CG2 . THR B 81  ? 0.5958 0.3971 0.3051 -0.0247 0.0463  0.0573  326 THR B CG2 
3209 N N   . TRP B 82  ? 0.3850 0.2282 0.1421 -0.0382 0.0280  0.0412  327 TRP B N   
3210 C CA  . TRP B 82  ? 0.3871 0.2441 0.1706 -0.0410 0.0300  0.0363  327 TRP B CA  
3211 C C   . TRP B 82  ? 0.3682 0.2283 0.1623 -0.0356 0.0346  0.0423  327 TRP B C   
3212 O O   . TRP B 82  ? 0.3618 0.2244 0.1506 -0.0301 0.0280  0.0510  327 TRP B O   
3213 C CB  . TRP B 82  ? 0.3798 0.2557 0.1759 -0.0444 0.0154  0.0341  327 TRP B CB  
3214 C CG  . TRP B 82  ? 0.3652 0.2386 0.1550 -0.0506 0.0131  0.0265  327 TRP B CG  
3215 C CD1 . TRP B 82  ? 0.3895 0.2562 0.1590 -0.0512 0.0063  0.0276  327 TRP B CD1 
3216 C CD2 . TRP B 82  ? 0.3416 0.2179 0.1444 -0.0570 0.0186  0.0167  327 TRP B CD2 
3217 N NE1 . TRP B 82  ? 0.4017 0.2673 0.1711 -0.0576 0.0069  0.0190  327 TRP B NE1 
3218 C CE2 . TRP B 82  ? 0.3770 0.2484 0.1668 -0.0612 0.0145  0.0123  327 TRP B CE2 
3219 C CE3 . TRP B 82  ? 0.3118 0.1948 0.1362 -0.0597 0.0262  0.0113  327 TRP B CE3 
3220 C CZ2 . TRP B 82  ? 0.3806 0.2536 0.1786 -0.0678 0.0180  0.0028  327 TRP B CZ2 
3221 C CZ3 . TRP B 82  ? 0.3131 0.1976 0.1454 -0.0663 0.0297  0.0019  327 TRP B CZ3 
3222 C CH2 . TRP B 82  ? 0.3383 0.2179 0.1575 -0.0702 0.0255  -0.0022 327 TRP B CH2 
3233 N N   . GLN B 83  ? 0.3692 0.2291 0.1783 -0.0373 0.0460  0.0377  328 GLN B N   
3234 C CA  . GLN B 83  ? 0.3628 0.2231 0.1812 -0.0326 0.0530  0.0425  328 GLN B CA  
3235 C C   . GLN B 83  ? 0.3204 0.1937 0.1653 -0.0361 0.0563  0.0367  328 GLN B C   
3236 O O   . GLN B 83  ? 0.3184 0.1911 0.1701 -0.0418 0.0618  0.0282  328 GLN B O   
3237 C CB  . GLN B 83  ? 0.4507 0.2907 0.2540 -0.0301 0.0675  0.0437  328 GLN B CB  
3238 C CG  . GLN B 83  ? 0.5715 0.4082 0.3787 -0.0243 0.0752  0.0499  328 GLN B CG  
3239 C CD  . GLN B 83  ? 0.6853 0.5013 0.4768 -0.0225 0.0898  0.0501  328 GLN B CD  
3240 O OE1 . GLN B 83  ? 0.7660 0.5724 0.5424 -0.0169 0.0907  0.0572  328 GLN B OE1 
3241 N NE2 . GLN B 83  ? 0.6759 0.4881 0.4748 -0.0267 0.0991  0.0409  328 GLN B NE2 
3250 N N   . TRP B 84  ? 0.3283 0.2136 0.1882 -0.0328 0.0527  0.0414  329 TRP B N   
3251 C CA  . TRP B 84  ? 0.3186 0.2158 0.2036 -0.0356 0.0564  0.0366  329 TRP B CA  
3252 C C   . TRP B 84  ? 0.3210 0.2063 0.2083 -0.0355 0.0735  0.0341  329 TRP B C   
3253 O O   . TRP B 84  ? 0.3436 0.2130 0.2150 -0.0316 0.0819  0.0381  329 TRP B O   
3254 C CB  . TRP B 84  ? 0.2865 0.1991 0.1856 -0.0319 0.0477  0.0428  329 TRP B CB  
3255 C CG  . TRP B 84  ? 0.2715 0.1972 0.1706 -0.0323 0.0310  0.0450  329 TRP B CG  
3256 C CD1 . TRP B 84  ? 0.3045 0.2297 0.1892 -0.0277 0.0210  0.0530  329 TRP B CD1 
3257 C CD2 . TRP B 84  ? 0.2531 0.1947 0.1672 -0.0378 0.0217  0.0391  329 TRP B CD2 
3258 N NE1 . TRP B 84  ? 0.2825 0.2223 0.1727 -0.0300 0.0063  0.0523  329 TRP B NE1 
3259 C CE2 . TRP B 84  ? 0.2499 0.1997 0.1578 -0.0361 0.0065  0.0439  329 TRP B CE2 
3260 C CE3 . TRP B 84  ? 0.2508 0.2004 0.1830 -0.0438 0.0248  0.0304  329 TRP B CE3 
3261 C CZ2 . TRP B 84  ? 0.2569 0.2224 0.1758 -0.0404 -0.0054 0.0401  329 TRP B CZ2 
3262 C CZ3 . TRP B 84  ? 0.2332 0.1984 0.1764 -0.0480 0.0130  0.0266  329 TRP B CZ3 
3263 C CH2 . TRP B 84  ? 0.2518 0.2248 0.1883 -0.0462 -0.0019 0.0316  329 TRP B CH2 
3274 N N   . VAL B 85  ? 0.2800 0.1730 0.1876 -0.0399 0.0789  0.0273  330 VAL B N   
3275 C CA  . VAL B 85  ? 0.2985 0.1822 0.2103 -0.0398 0.0935  0.0232  330 VAL B CA  
3276 C C   . VAL B 85  ? 0.3433 0.2260 0.2590 -0.0329 0.0976  0.0291  330 VAL B C   
3277 O O   . VAL B 85  ? 0.3903 0.2669 0.3080 -0.0295 0.1046  0.0251  330 VAL B O   
3278 C CB  . VAL B 85  ? 0.3098 0.2076 0.2462 -0.0428 0.0923  0.0122  330 VAL B CB  
3279 C CG1 . VAL B 85  ? 0.3325 0.2298 0.2652 -0.0486 0.0896  0.0048  330 VAL B CG1 
3280 C CG2 . VAL B 85  ? 0.2992 0.2154 0.2568 -0.0433 0.0857  0.0137  330 VAL B CG2 
3290 N N   . ASP B 86  ? 0.3418 0.2404 0.2437 -0.0077 0.0101  0.0656  331 ASP B N   
3291 C CA  . ASP B 86  ? 0.3657 0.2623 0.2740 -0.0046 0.0102  0.0638  331 ASP B CA  
3292 C C   . ASP B 86  ? 0.3787 0.2734 0.2868 0.0046  0.0059  0.0662  331 ASP B C   
3293 O O   . ASP B 86  ? 0.3842 0.2775 0.2978 0.0080  0.0054  0.0646  331 ASP B O   
3294 C CB  . ASP B 86  ? 0.3690 0.2714 0.2871 -0.0076 0.0114  0.0552  331 ASP B CB  
3295 C CG  . ASP B 86  ? 0.3394 0.2483 0.2620 -0.0041 0.0079  0.0498  331 ASP B CG  
3296 O OD1 . ASP B 86  ? 0.3314 0.2409 0.2493 0.0003  0.0046  0.0525  331 ASP B OD1 
3297 O OD2 . ASP B 86  ? 0.3195 0.2331 0.2504 -0.0057 0.0086  0.0428  331 ASP B OD2 
3302 N N   . GLY B 87  ? 0.3843 0.2790 0.2862 0.0086  0.0027  0.0699  332 GLY B N   
3303 C CA  . GLY B 87  ? 0.3939 0.2871 0.2951 0.0174  -0.0015 0.0723  332 GLY B CA  
3304 C C   . GLY B 87  ? 0.3837 0.2832 0.2901 0.0216  -0.0052 0.0666  332 GLY B C   
3305 O O   . GLY B 87  ? 0.3888 0.2875 0.2936 0.0290  -0.0090 0.0688  332 GLY B O   
3309 N N   . SER B 88  ? 0.3423 0.2481 0.2551 0.0172  -0.0041 0.0593  333 SER B N   
3310 C CA  . SER B 88  ? 0.3312 0.2431 0.2497 0.0211  -0.0075 0.0535  333 SER B CA  
3311 C C   . SER B 88  ? 0.3125 0.2271 0.2254 0.0229  -0.0104 0.0551  333 SER B C   
3312 O O   . SER B 88  ? 0.3127 0.2270 0.2195 0.0182  -0.0087 0.0579  333 SER B O   
3313 C CB  . SER B 88  ? 0.3401 0.2580 0.2673 0.0157  -0.0053 0.0452  333 SER B CB  
3314 O OG  . SER B 88  ? 0.3555 0.2752 0.2800 0.0080  -0.0022 0.0446  333 SER B OG  
3320 N N   . PRO B 89  ? 0.2943 0.2118 0.2092 0.0297  -0.0147 0.0533  334 PRO B N   
3321 C CA  . PRO B 89  ? 0.3031 0.2234 0.2130 0.0318  -0.0177 0.0546  334 PRO B CA  
3322 C C   . PRO B 89  ? 0.3037 0.2312 0.2176 0.0267  -0.0170 0.0481  334 PRO B C   
3323 O O   . PRO B 89  ? 0.3125 0.2441 0.2346 0.0237  -0.0155 0.0414  334 PRO B O   
3324 C CB  . PRO B 89  ? 0.3341 0.2549 0.2461 0.0410  -0.0225 0.0542  334 PRO B CB  
3325 C CG  . PRO B 89  ? 0.3468 0.2693 0.2684 0.0416  -0.0219 0.0485  334 PRO B CG  
3326 C CD  . PRO B 89  ? 0.3128 0.2310 0.2346 0.0360  -0.0172 0.0501  334 PRO B CD  
3334 N N   . LEU B 90  ? 0.3172 0.2464 0.2251 0.0257  -0.0181 0.0502  335 LEU B N   
3335 C CA  . LEU B 90  ? 0.3131 0.2493 0.2243 0.0219  -0.0182 0.0443  335 LEU B CA  
3336 C C   . LEU B 90  ? 0.3118 0.2530 0.2293 0.0280  -0.0223 0.0390  335 LEU B C   
3337 O O   . LEU B 90  ? 0.3129 0.2531 0.2272 0.0350  -0.0263 0.0419  335 LEU B O   
3338 C CB  . LEU B 90  ? 0.3207 0.2571 0.2235 0.0196  -0.0183 0.0483  335 LEU B CB  
3339 C CG  . LEU B 90  ? 0.3186 0.2620 0.2241 0.0152  -0.0181 0.0428  335 LEU B CG  
3340 C CD1 . LEU B 90  ? 0.2852 0.2307 0.1959 0.0071  -0.0135 0.0382  335 LEU B CD1 
3341 C CD2 . LEU B 90  ? 0.3502 0.2933 0.2470 0.0140  -0.0188 0.0473  335 LEU B CD2 
3353 N N   . LEU B 91  ? 0.2962 0.2428 0.2227 0.0256  -0.0215 0.0315  336 LEU B N   
3354 C CA  . LEU B 91  ? 0.2923 0.2436 0.2255 0.0313  -0.0254 0.0261  336 LEU B CA  
3355 C C   . LEU B 91  ? 0.3101 0.2673 0.2427 0.0314  -0.0278 0.0234  336 LEU B C   
3356 O O   . LEU B 91  ? 0.2915 0.2505 0.2212 0.0254  -0.0256 0.0234  336 LEU B O   
3357 C CB  . LEU B 91  ? 0.2826 0.2372 0.2261 0.0290  -0.0236 0.0189  336 LEU B CB  
3358 C CG  . LEU B 91  ? 0.3114 0.2610 0.2573 0.0295  -0.0216 0.0204  336 LEU B CG  
3359 C CD1 . LEU B 91  ? 0.3195 0.2728 0.2753 0.0259  -0.0192 0.0130  336 LEU B CD1 
3360 C CD2 . LEU B 91  ? 0.3474 0.2936 0.2926 0.0386  -0.0254 0.0234  336 LEU B CD2 
3372 N N   . PRO B 92  ? 0.3582 0.3184 0.2934 0.0383  -0.0323 0.0212  337 PRO B N   
3373 C CA  . PRO B 92  ? 0.3558 0.3216 0.2904 0.0388  -0.0349 0.0187  337 PRO B CA  
3374 C C   . PRO B 92  ? 0.3312 0.3035 0.2721 0.0322  -0.0327 0.0117  337 PRO B C   
3375 O O   . PRO B 92  ? 0.3024 0.2783 0.2411 0.0299  -0.0332 0.0107  337 PRO B O   
3376 C CB  . PRO B 92  ? 0.3997 0.3675 0.3378 0.0477  -0.0400 0.0167  337 PRO B CB  
3377 C CG  . PRO B 92  ? 0.4299 0.3917 0.3672 0.0523  -0.0403 0.0205  337 PRO B CG  
3378 C CD  . PRO B 92  ? 0.4112 0.3697 0.3496 0.0461  -0.0353 0.0212  337 PRO B CD  
3386 N N   . SER B 93  ? 0.3360 0.3098 0.2848 0.0291  -0.0302 0.0065  338 SER B N   
3387 C CA  . SER B 93  ? 0.3276 0.3073 0.2828 0.0227  -0.0277 -0.0002 338 SER B CA  
3388 C C   . SER B 93  ? 0.2830 0.2619 0.2331 0.0146  -0.0237 0.0021  338 SER B C   
3389 O O   . SER B 93  ? 0.2921 0.2759 0.2467 0.0088  -0.0214 -0.0031 338 SER B O   
3390 C CB  . SER B 93  ? 0.3269 0.3074 0.2911 0.0215  -0.0257 -0.0053 338 SER B CB  
3391 O OG  . SER B 93  ? 0.3053 0.2793 0.2665 0.0203  -0.0231 -0.0007 338 SER B OG  
3397 N N   . PHE B 94  ? 0.2555 0.2283 0.1966 0.0139  -0.0225 0.0096  339 PHE B N   
3398 C CA  . PHE B 94  ? 0.2417 0.2132 0.1773 0.0064  -0.0187 0.0124  339 PHE B CA  
3399 C C   . PHE B 94  ? 0.2447 0.2164 0.1721 0.0071  -0.0206 0.0167  339 PHE B C   
3400 O O   . PHE B 94  ? 0.2409 0.2119 0.1633 0.0012  -0.0179 0.0189  339 PHE B O   
3401 C CB  . PHE B 94  ? 0.2564 0.2208 0.1878 0.0042  -0.0155 0.0177  339 PHE B CB  
3402 C CG  . PHE B 94  ? 0.2846 0.2492 0.2235 0.0008  -0.0123 0.0134  339 PHE B CG  
3403 C CD1 . PHE B 94  ? 0.3281 0.2930 0.2738 0.0058  -0.0141 0.0104  339 PHE B CD1 
3404 C CD2 . PHE B 94  ? 0.2709 0.2355 0.2101 -0.0075 -0.0074 0.0125  339 PHE B CD2 
3405 C CE1 . PHE B 94  ? 0.3755 0.3406 0.3281 0.0027  -0.0112 0.0063  339 PHE B CE1 
3406 C CE2 . PHE B 94  ? 0.3054 0.2702 0.2514 -0.0105 -0.0045 0.0085  339 PHE B CE2 
3407 C CZ  . PHE B 94  ? 0.3709 0.3360 0.3237 -0.0054 -0.0064 0.0054  339 PHE B CZ  
3417 N N   . LYS B 95  ? 0.2543 0.2266 0.1799 0.0144  -0.0254 0.0179  340 LYS B N   
3418 C CA  . LYS B 95  ? 0.2761 0.2484 0.1938 0.0154  -0.0273 0.0221  340 LYS B CA  
3419 C C   . LYS B 95  ? 0.2623 0.2406 0.1815 0.0097  -0.0262 0.0179  340 LYS B C   
3420 O O   . LYS B 95  ? 0.2649 0.2425 0.1770 0.0071  -0.0257 0.0216  340 LYS B O   
3421 C CB  . LYS B 95  ? 0.3720 0.3448 0.2889 0.0245  -0.0328 0.0231  340 LYS B CB  
3422 C CG  . LYS B 95  ? 0.5962 0.5628 0.5104 0.0307  -0.0343 0.0281  340 LYS B CG  
3423 C CD  . LYS B 95  ? 0.9237 0.8908 0.8361 0.0397  -0.0397 0.0294  340 LYS B CD  
3424 C CE  . LYS B 95  ? 1.2454 1.2186 1.1673 0.0433  -0.0425 0.0218  340 LYS B CE  
3425 N NZ  . LYS B 95  ? 1.3333 1.3065 1.2540 0.0525  -0.0478 0.0231  340 LYS B NZ  
3439 N N   . GLN B 96  ? 0.2672 0.2514 0.1958 0.0076  -0.0256 0.0101  341 GLN B N   
3440 C CA  . GLN B 96  ? 0.2643 0.2545 0.1953 0.0022  -0.0244 0.0056  341 GLN B CA  
3441 C C   . GLN B 96  ? 0.2530 0.2415 0.1791 -0.0061 -0.0198 0.0081  341 GLN B C   
3442 O O   . GLN B 96  ? 0.2779 0.2705 0.2031 -0.0101 -0.0192 0.0064  341 GLN B O   
3443 C CB  . GLN B 96  ? 0.2513 0.2472 0.1935 0.0008  -0.0238 -0.0030 341 GLN B CB  
3444 C CG  . GLN B 96  ? 0.2456 0.2391 0.1922 -0.0022 -0.0202 -0.0044 341 GLN B CG  
3445 C CD  . GLN B 96  ? 0.2596 0.2589 0.2171 -0.0042 -0.0194 -0.0130 341 GLN B CD  
3446 O OE1 . GLN B 96  ? 0.2331 0.2379 0.1938 -0.0086 -0.0183 -0.0175 341 GLN B OE1 
3447 N NE2 . GLN B 96  ? 0.2942 0.2925 0.2575 -0.0008 -0.0199 -0.0152 341 GLN B NE2 
3456 N N   . TYR B 97  ? 0.2332 0.2161 0.1563 -0.0087 -0.0166 0.0120  342 TYR B N   
3457 C CA  . TYR B 97  ? 0.2229 0.2046 0.1427 -0.0171 -0.0118 0.0135  342 TYR B CA  
3458 C C   . TYR B 97  ? 0.2454 0.2235 0.1545 -0.0182 -0.0117 0.0206  342 TYR B C   
3459 O O   . TYR B 97  ? 0.2494 0.2279 0.1555 -0.0251 -0.0084 0.0214  342 TYR B O   
3460 C CB  . TYR B 97  ? 0.2203 0.1979 0.1423 -0.0199 -0.0082 0.0140  342 TYR B CB  
3461 C CG  . TYR B 97  ? 0.2319 0.2133 0.1647 -0.0195 -0.0079 0.0066  342 TYR B CG  
3462 C CD1 . TYR B 97  ? 0.2442 0.2326 0.1839 -0.0230 -0.0072 -0.0005 342 TYR B CD1 
3463 C CD2 . TYR B 97  ? 0.2261 0.2043 0.1622 -0.0154 -0.0085 0.0068  342 TYR B CD2 
3464 C CE1 . TYR B 97  ? 0.2367 0.2286 0.1864 -0.0226 -0.0070 -0.0073 342 TYR B CE1 
3465 C CE2 . TYR B 97  ? 0.2368 0.2184 0.1828 -0.0150 -0.0082 0.0001  342 TYR B CE2 
3466 C CZ  . TYR B 97  ? 0.2306 0.2192 0.1834 -0.0186 -0.0075 -0.0070 342 TYR B CZ  
3467 O OH  . TYR B 97  ? 0.2204 0.2126 0.1831 -0.0182 -0.0073 -0.0138 342 TYR B OH  
3477 N N   . TRP B 98  ? 0.2754 0.1909 0.1431 -0.0179 -0.0137 0.0189  343 TRP B N   
3478 C CA  . TRP B 98  ? 0.2936 0.2038 0.1572 -0.0148 -0.0101 0.0157  343 TRP B CA  
3479 C C   . TRP B 98  ? 0.2871 0.1932 0.1453 -0.0149 -0.0185 0.0146  343 TRP B C   
3480 O O   . TRP B 98  ? 0.3012 0.2014 0.1502 -0.0154 -0.0257 0.0165  343 TRP B O   
3481 C CB  . TRP B 98  ? 0.3018 0.2009 0.1520 -0.0109 -0.0046 0.0160  343 TRP B CB  
3482 C CG  . TRP B 98  ? 0.3031 0.2038 0.1569 -0.0101 0.0052  0.0167  343 TRP B CG  
3483 C CD1 . TRP B 98  ? 0.3223 0.2186 0.1693 -0.0095 0.0072  0.0196  343 TRP B CD1 
3484 C CD2 . TRP B 98  ? 0.2891 0.1961 0.1541 -0.0098 0.0143  0.0144  343 TRP B CD2 
3485 N NE1 . TRP B 98  ? 0.3329 0.2317 0.1856 -0.0089 0.0172  0.0195  343 TRP B NE1 
3486 C CE2 . TRP B 98  ? 0.3156 0.2214 0.1801 -0.0092 0.0217  0.0162  343 TRP B CE2 
3487 C CE3 . TRP B 98  ? 0.2789 0.1924 0.1544 -0.0098 0.0167  0.0108  343 TRP B CE3 
3488 C CZ2 . TRP B 98  ? 0.3312 0.2418 0.2055 -0.0091 0.0315  0.0147  343 TRP B CZ2 
3489 C CZ3 . TRP B 98  ? 0.2862 0.2050 0.1719 -0.0095 0.0262  0.0090  343 TRP B CZ3 
3490 C CH2 . TRP B 98  ? 0.3332 0.2508 0.2188 -0.0093 0.0336  0.0109  343 TRP B CH2 
3501 N N   . ASN B 99  ? 0.2773 0.1861 0.1408 -0.0141 -0.0175 0.0114  344 ASN B N   
3502 C CA  . ASN B 99  ? 0.2933 0.1968 0.1505 -0.0136 -0.0246 0.0100  344 ASN B CA  
3503 C C   . ASN B 99  ? 0.3130 0.2027 0.1528 -0.0101 -0.0259 0.0101  344 ASN B C   
3504 O O   . ASN B 99  ? 0.3372 0.2215 0.1703 -0.0073 -0.0196 0.0104  344 ASN B O   
3505 C CB  . ASN B 99  ? 0.3022 0.2096 0.1664 -0.0123 -0.0223 0.0061  344 ASN B CB  
3506 C CG  . ASN B 99  ? 0.2930 0.2128 0.1728 -0.0154 -0.0232 0.0056  344 ASN B CG  
3507 O OD1 . ASN B 99  ? 0.2943 0.2185 0.1779 -0.0187 -0.0288 0.0081  344 ASN B OD1 
3508 N ND2 . ASN B 99  ? 0.2786 0.2043 0.1677 -0.0140 -0.0178 0.0023  344 ASN B ND2 
3515 N N   . ARG B 100 ? 0.3147 0.1983 0.1470 -0.0102 -0.0341 0.0097  345 ARG B N   
3516 C CA  . ARG B 100 ? 0.3757 0.2457 0.1911 -0.0067 -0.0366 0.0094  345 ARG B CA  
3517 C C   . ARG B 100 ? 0.3736 0.2386 0.1840 -0.0020 -0.0285 0.0067  345 ARG B C   
3518 O O   . ARG B 100 ? 0.3645 0.2337 0.1818 -0.0013 -0.0256 0.0038  345 ARG B O   
3519 C CB  . ARG B 100 ? 0.4844 0.3497 0.2948 -0.0078 -0.0465 0.0089  345 ARG B CB  
3520 C CG  . ARG B 100 ? 0.6524 0.5037 0.4457 -0.0041 -0.0500 0.0081  345 ARG B CG  
3521 C CD  . ARG B 100 ? 0.8417 0.6886 0.6309 -0.0059 -0.0605 0.0079  345 ARG B CD  
3522 N NE  . ARG B 100 ? 1.0210 0.8540 0.7936 -0.0020 -0.0640 0.0067  345 ARG B NE  
3523 C CZ  . ARG B 100 ? 1.1359 0.9647 0.9070 -0.0028 -0.0715 0.0060  345 ARG B CZ  
3524 N NH1 . ARG B 100 ? 1.1767 0.9952 0.9377 0.0012  -0.0727 0.0045  345 ARG B NH1 
3525 N NH2 . ARG B 100 ? 1.1672 1.0038 0.9509 -0.0073 -0.0763 0.0068  345 ARG B NH2 
3539 N N   . GLY B 101 ? 0.3854 0.2413 0.1838 0.0013  -0.0248 0.0076  346 GLY B N   
3540 C CA  . GLY B 101 ? 0.4000 0.2504 0.1925 0.0060  -0.0164 0.0056  346 GLY B CA  
3541 C C   . GLY B 101 ? 0.3984 0.2557 0.2005 0.0061  -0.0054 0.0056  346 GLY B C   
3542 O O   . GLY B 101 ? 0.4247 0.2769 0.2215 0.0100  0.0026  0.0044  346 GLY B O   
3546 N N   . GLU B 102 ? 0.3705 0.2391 0.1866 0.0020  -0.0045 0.0069  347 GLU B N   
3547 C CA  . GLU B 102 ? 0.3606 0.2363 0.1872 0.0017  0.0055  0.0067  347 GLU B CA  
3548 C C   . GLU B 102 ? 0.3673 0.2405 0.1897 0.0014  0.0083  0.0102  347 GLU B C   
3549 O O   . GLU B 102 ? 0.3679 0.2373 0.1831 0.0003  0.0013  0.0128  347 GLU B O   
3550 C CB  . GLU B 102 ? 0.3473 0.2372 0.1925 -0.0022 0.0049  0.0056  347 GLU B CB  
3551 C CG  . GLU B 102 ? 0.3630 0.2555 0.2122 -0.0022 0.0003  0.0025  347 GLU B CG  
3552 C CD  . GLU B 102 ? 0.3830 0.2732 0.2316 0.0017  0.0069  -0.0013 347 GLU B CD  
3553 O OE1 . GLU B 102 ? 0.3841 0.2732 0.2329 0.0037  0.0162  -0.0016 347 GLU B OE1 
3554 O OE2 . GLU B 102 ? 0.3779 0.2678 0.2265 0.0026  0.0028  -0.0039 347 GLU B OE2 
3561 N N   . PRO B 103 ? 0.3597 0.2346 0.1861 0.0024  0.0186  0.0103  348 PRO B N   
3562 C CA  . PRO B 103 ? 0.3658 0.2442 0.2000 0.0040  0.0277  0.0072  348 PRO B CA  
3563 C C   . PRO B 103 ? 0.3981 0.2651 0.2185 0.0090  0.0313  0.0058  348 PRO B C   
3564 O O   . PRO B 103 ? 0.4333 0.2899 0.2394 0.0116  0.0322  0.0079  348 PRO B O   
3565 C CB  . PRO B 103 ? 0.3958 0.2788 0.2378 0.0028  0.0366  0.0087  348 PRO B CB  
3566 C CG  . PRO B 103 ? 0.4157 0.2910 0.2455 0.0032  0.0342  0.0126  348 PRO B CG  
3567 C CD  . PRO B 103 ? 0.3781 0.2515 0.2019 0.0019  0.0219  0.0136  348 PRO B CD  
3575 N N   . ASN B 104 ? 0.3945 0.2632 0.2187 0.0107  0.0330  0.0021  349 ASN B N   
3576 C CA  . ASN B 104 ? 0.4092 0.2670 0.2198 0.0157  0.0357  0.0006  349 ASN B CA  
3577 C C   . ASN B 104 ? 0.4017 0.2611 0.2176 0.0182  0.0477  -0.0017 349 ASN B C   
3578 O O   . ASN B 104 ? 0.4039 0.2541 0.2084 0.0227  0.0513  -0.0027 349 ASN B O   
3579 C CB  . ASN B 104 ? 0.3990 0.2547 0.2058 0.0166  0.0270  -0.0018 349 ASN B CB  
3580 C CG  . ASN B 104 ? 0.3896 0.2573 0.2130 0.0143  0.0263  -0.0051 349 ASN B CG  
3581 O OD1 . ASN B 104 ? 0.3412 0.2191 0.1796 0.0126  0.0328  -0.0062 349 ASN B OD1 
3582 N ND2 . ASN B 104 ? 0.4292 0.2953 0.2497 0.0147  0.0183  -0.0070 349 ASN B ND2 
3589 N N   . ASN B 105 ? 0.3808 0.2514 0.2137 0.0154  0.0542  -0.0024 350 ASN B N   
3590 C CA  . ASN B 105 ? 0.4063 0.2790 0.2456 0.0172  0.0665  -0.0043 350 ASN B CA  
3591 C C   . ASN B 105 ? 0.4359 0.3071 0.2741 0.0209  0.0685  -0.0084 350 ASN B C   
3592 O O   . ASN B 105 ? 0.4240 0.2921 0.2608 0.0239  0.0783  -0.0096 350 ASN B O   
3593 C CB  . ASN B 105 ? 0.4300 0.2924 0.2571 0.0197  0.0741  -0.0011 350 ASN B CB  
3594 C CG  . ASN B 105 ? 0.4376 0.3040 0.2745 0.0200  0.0874  -0.0021 350 ASN B CG  
3595 O OD1 . ASN B 105 ? 0.4091 0.2873 0.2640 0.0164  0.0906  -0.0034 350 ASN B OD1 
3596 N ND2 . ASN B 105 ? 0.4562 0.3124 0.2814 0.0242  0.0954  -0.0014 350 ASN B ND2 
3603 N N   . VAL B 106 ? 0.4708 0.3445 0.3104 0.0206  0.0599  -0.0108 351 VAL B N   
3604 C CA  . VAL B 106 ? 0.5072 0.3776 0.3428 0.0247  0.0608  -0.0144 351 VAL B CA  
3605 C C   . VAL B 106 ? 0.4941 0.3750 0.3467 0.0247  0.0696  -0.0183 351 VAL B C   
3606 O O   . VAL B 106 ? 0.4884 0.3813 0.3574 0.0214  0.0679  -0.0202 351 VAL B O   
3607 C CB  . VAL B 106 ? 0.5291 0.3986 0.3610 0.0245  0.0490  -0.0159 351 VAL B CB  
3608 C CG1 . VAL B 106 ? 0.5849 0.4430 0.3995 0.0249  0.0409  -0.0124 351 VAL B CG1 
3609 C CG2 . VAL B 106 ? 0.4889 0.3709 0.3369 0.0200  0.0438  -0.0169 351 VAL B CG2 
3619 N N   . GLY B 107 ? 0.4884 0.3647 0.3371 0.0285  0.0792  -0.0196 352 GLY B N   
3620 C CA  . GLY B 107 ? 0.5082 0.3943 0.3734 0.0284  0.0887  -0.0231 352 GLY B CA  
3621 C C   . GLY B 107 ? 0.5404 0.4338 0.4186 0.0247  0.0961  -0.0215 352 GLY B C   
3622 O O   . GLY B 107 ? 0.5665 0.4711 0.4626 0.0232  0.1012  -0.0248 352 GLY B O   
3626 N N   . GLU B 108 ? 0.5369 0.4240 0.4064 0.0235  0.0964  -0.0168 353 GLU B N   
3627 C CA  . GLU B 108 ? 0.5272 0.4201 0.4074 0.0199  0.1026  -0.0148 353 GLU B CA  
3628 C C   . GLU B 108 ? 0.4224 0.3279 0.3186 0.0151  0.0961  -0.0157 353 GLU B C   
3629 O O   . GLU B 108 ? 0.3979 0.3147 0.3111 0.0139  0.0980  -0.0197 353 GLU B O   
3630 C CB  . GLU B 108 ? 0.6491 0.5453 0.5392 0.0209  0.1160  -0.0169 353 GLU B CB  
3631 C CG  . GLU B 108 ? 0.8215 0.7048 0.6960 0.0247  0.1248  -0.0142 353 GLU B CG  
3632 C CD  . GLU B 108 ? 0.9592 0.8348 0.8232 0.0236  0.1251  -0.0089 353 GLU B CD  
3633 O OE1 . GLU B 108 ? 1.0192 0.8814 0.8640 0.0274  0.1264  -0.0061 353 GLU B OE1 
3634 O OE2 . GLU B 108 ? 0.9894 0.8723 0.8639 0.0193  0.1238  -0.0075 353 GLU B OE2 
3641 N N   . GLU B 109 ? 0.3654 0.2690 0.2561 0.0127  0.0886  -0.0121 354 GLU B N   
3642 C CA  . GLU B 109 ? 0.3446 0.2590 0.2480 0.0084  0.0816  -0.0122 354 GLU B CA  
3643 C C   . GLU B 109 ? 0.3277 0.2418 0.2311 0.0056  0.0833  -0.0080 354 GLU B C   
3644 O O   . GLU B 109 ? 0.3102 0.2149 0.1987 0.0063  0.0798  -0.0042 354 GLU B O   
3645 C CB  . GLU B 109 ? 0.3449 0.2573 0.2410 0.0082  0.0690  -0.0120 354 GLU B CB  
3646 C CG  . GLU B 109 ? 0.3523 0.2627 0.2451 0.0115  0.0666  -0.0158 354 GLU B CG  
3647 C CD  . GLU B 109 ? 0.3606 0.2687 0.2465 0.0111  0.0541  -0.0155 354 GLU B CD  
3648 O OE1 . GLU B 109 ? 0.3550 0.2551 0.2277 0.0107  0.0479  -0.0119 354 GLU B OE1 
3649 O OE2 . GLU B 109 ? 0.3630 0.2774 0.2569 0.0111  0.0503  -0.0190 354 GLU B OE2 
3656 N N   . ASP B 110 ? 0.3335 0.2579 0.2537 0.0027  0.0882  -0.0090 355 ASP B N   
3657 C CA  . ASP B 110 ? 0.3653 0.2891 0.2862 0.0004  0.0919  -0.0054 355 ASP B CA  
3658 C C   . ASP B 110 ? 0.3117 0.2465 0.2460 -0.0038 0.0866  -0.0050 355 ASP B C   
3659 O O   . ASP B 110 ? 0.2804 0.2165 0.2180 -0.0059 0.0899  -0.0025 355 ASP B O   
3660 C CB  . ASP B 110 ? 0.3890 0.3127 0.3160 0.0010  0.1051  -0.0061 355 ASP B CB  
3661 C CG  . ASP B 110 ? 0.3954 0.3071 0.3077 0.0055  0.1114  -0.0057 355 ASP B CG  
3662 O OD1 . ASP B 110 ? 0.3654 0.2670 0.2601 0.0082  0.1055  -0.0039 355 ASP B OD1 
3663 O OD2 . ASP B 110 ? 0.4117 0.3242 0.3304 0.0064  0.1224  -0.0074 355 ASP B OD2 
3668 N N   . CYS B 111 ? 0.2575 0.1998 0.1989 -0.0049 0.0784  -0.0074 356 CYS B N   
3669 C CA  . CYS B 111 ? 0.2278 0.1809 0.1821 -0.0085 0.0733  -0.0074 356 CYS B CA  
3670 C C   . CYS B 111 ? 0.2244 0.1771 0.1726 -0.0092 0.0614  -0.0061 356 CYS B C   
3671 O O   . CYS B 111 ? 0.2551 0.2040 0.1965 -0.0072 0.0569  -0.0077 356 CYS B O   
3672 C CB  . CYS B 111 ? 0.2666 0.2314 0.2400 -0.0091 0.0769  -0.0124 356 CYS B CB  
3673 S SG  . CYS B 111 ? 0.3554 0.3228 0.3402 -0.0095 0.0913  -0.0138 356 CYS B SG  
3678 N N   . ALA B 112 ? 0.2121 0.1685 0.1626 -0.0121 0.0564  -0.0032 357 ALA B N   
3679 C CA  . ALA B 112 ? 0.2339 0.1897 0.1784 -0.0132 0.0454  -0.0013 357 ALA B CA  
3680 C C   . ALA B 112 ? 0.2187 0.1858 0.1769 -0.0151 0.0401  -0.0038 357 ALA B C   
3681 O O   . ALA B 112 ? 0.1854 0.1620 0.1581 -0.0166 0.0434  -0.0053 357 ALA B O   
3682 C CB  . ALA B 112 ? 0.2349 0.1882 0.1734 -0.0152 0.0424  0.0035  357 ALA B CB  
3688 N N   . GLU B 113 ? 0.2266 0.1920 0.1794 -0.0148 0.0316  -0.0040 358 GLU B N   
3689 C CA  . GLU B 113 ? 0.2189 0.1931 0.1818 -0.0160 0.0258  -0.0060 358 GLU B CA  
3690 C C   . GLU B 113 ? 0.2195 0.1913 0.1748 -0.0178 0.0158  -0.0028 358 GLU B C   
3691 O O   . GLU B 113 ? 0.2224 0.1847 0.1637 -0.0172 0.0126  -0.0003 358 GLU B O   
3692 C CB  . GLU B 113 ? 0.2278 0.2026 0.1932 -0.0134 0.0260  -0.0108 358 GLU B CB  
3693 C CG  . GLU B 113 ? 0.2533 0.2167 0.2029 -0.0109 0.0233  -0.0105 358 GLU B CG  
3694 C CD  . GLU B 113 ? 0.2621 0.2262 0.2128 -0.0088 0.0198  -0.0145 358 GLU B CD  
3695 O OE1 . GLU B 113 ? 0.2744 0.2292 0.2128 -0.0063 0.0185  -0.0150 358 GLU B OE1 
3696 O OE2 . GLU B 113 ? 0.2439 0.2173 0.2069 -0.0093 0.0181  -0.0172 358 GLU B OE2 
3703 N N   . PHE B 114 ? 0.2074 0.1879 0.1723 -0.0197 0.0110  -0.0030 359 PHE B N   
3704 C CA  . PHE B 114 ? 0.2139 0.1933 0.1738 -0.0212 0.0016  -0.0008 359 PHE B CA  
3705 C C   . PHE B 114 ? 0.2189 0.1947 0.1748 -0.0191 -0.0018 -0.0038 359 PHE B C   
3706 O O   . PHE B 114 ? 0.1983 0.1794 0.1631 -0.0176 0.0004  -0.0079 359 PHE B O   
3707 C CB  . PHE B 114 ? 0.2122 0.2020 0.1836 -0.0237 -0.0019 -0.0000 359 PHE B CB  
3708 C CG  . PHE B 114 ? 0.2008 0.1951 0.1772 -0.0257 0.0013  0.0026  359 PHE B CG  
3709 C CD1 . PHE B 114 ? 0.2126 0.2035 0.1815 -0.0276 -0.0023 0.0072  359 PHE B CD1 
3710 C CD2 . PHE B 114 ? 0.1951 0.1970 0.1840 -0.0256 0.0076  0.0004  359 PHE B CD2 
3711 C CE1 . PHE B 114 ? 0.2297 0.2245 0.2029 -0.0291 0.0004  0.0095  359 PHE B CE1 
3712 C CE2 . PHE B 114 ? 0.1953 0.2009 0.1886 -0.0273 0.0104  0.0028  359 PHE B CE2 
3713 C CZ  . PHE B 114 ? 0.2143 0.2163 0.1994 -0.0290 0.0068  0.0074  359 PHE B CZ  
3723 N N   . SER B 115 ? 0.2348 0.2014 0.1775 -0.0188 -0.0072 -0.0021 360 SER B N   
3724 C CA  . SER B 115 ? 0.2604 0.2217 0.1972 -0.0166 -0.0107 -0.0047 360 SER B CA  
3725 C C   . SER B 115 ? 0.2768 0.2331 0.2050 -0.0184 -0.0200 -0.0019 360 SER B C   
3726 O O   . SER B 115 ? 0.2648 0.2127 0.1814 -0.0187 -0.0224 0.0008  360 SER B O   
3727 C CB  . SER B 115 ? 0.2914 0.2440 0.2190 -0.0133 -0.0056 -0.0064 360 SER B CB  
3728 O OG  . SER B 115 ? 0.3335 0.2793 0.2526 -0.0112 -0.0100 -0.0082 360 SER B OG  
3734 N N   . GLY B 116 ? 0.3134 0.2744 0.2470 -0.0195 -0.0253 -0.0026 361 GLY B N   
3735 C CA  . GLY B 116 ? 0.3179 0.2747 0.2447 -0.0216 -0.0339 0.0002  361 GLY B CA  
3736 C C   . GLY B 116 ? 0.2945 0.2535 0.2216 -0.0251 -0.0364 0.0048  361 GLY B C   
3737 O O   . GLY B 116 ? 0.3175 0.2857 0.2550 -0.0268 -0.0350 0.0058  361 GLY B O   
3741 N N   . ASN B 117 ? 0.2534 0.2038 0.1690 -0.0258 -0.0402 0.0074  362 ASN B N   
3742 C CA  . ASN B 117 ? 0.2885 0.2407 0.2039 -0.0290 -0.0433 0.0117  362 ASN B CA  
3743 C C   . ASN B 117 ? 0.2563 0.2076 0.1696 -0.0284 -0.0376 0.0130  362 ASN B C   
3744 O O   . ASN B 117 ? 0.2380 0.1909 0.1512 -0.0306 -0.0397 0.0163  362 ASN B O   
3745 C CB  . ASN B 117 ? 0.4056 0.3496 0.3104 -0.0305 -0.0513 0.0139  362 ASN B CB  
3746 C CG  . ASN B 117 ? 0.5295 0.4741 0.4360 -0.0317 -0.0573 0.0133  362 ASN B CG  
3747 O OD1 . ASN B 117 ? 0.5737 0.5270 0.4903 -0.0335 -0.0582 0.0139  362 ASN B OD1 
3748 N ND2 . ASN B 117 ? 0.5759 0.5109 0.4723 -0.0306 -0.0614 0.0123  362 ASN B ND2 
3755 N N   . GLY B 118 ? 0.2528 0.2006 0.1636 -0.0253 -0.0308 0.0106  363 GLY B N   
3756 C CA  . GLY B 118 ? 0.2483 0.1934 0.1553 -0.0244 -0.0253 0.0120  363 GLY B CA  
3757 C C   . GLY B 118 ? 0.2404 0.1879 0.1530 -0.0220 -0.0160 0.0091  363 GLY B C   
3758 O O   . GLY B 118 ? 0.2467 0.2017 0.1702 -0.0219 -0.0138 0.0063  363 GLY B O   
3762 N N   . TRP B 119 ? 0.2314 0.1724 0.1365 -0.0201 -0.0105 0.0098  364 TRP B N   
3763 C CA  . TRP B 119 ? 0.2421 0.1846 0.1519 -0.0180 -0.0008 0.0075  364 TRP B CA  
3764 C C   . TRP B 119 ? 0.2638 0.1971 0.1638 -0.0142 0.0022  0.0050  364 TRP B C   
3765 O O   . TRP B 119 ? 0.2951 0.2181 0.1810 -0.0128 -0.0019 0.0062  364 TRP B O   
3766 C CB  . TRP B 119 ? 0.2569 0.1981 0.1650 -0.0182 0.0047  0.0101  364 TRP B CB  
3767 C CG  . TRP B 119 ? 0.2428 0.1924 0.1597 -0.0215 0.0031  0.0127  364 TRP B CG  
3768 C CD1 . TRP B 119 ? 0.2309 0.1898 0.1579 -0.0241 -0.0020 0.0128  364 TRP B CD1 
3769 C CD2 . TRP B 119 ? 0.2457 0.1947 0.1611 -0.0220 0.0068  0.0155  364 TRP B CD2 
3770 N NE1 . TRP B 119 ? 0.2251 0.1895 0.1574 -0.0263 -0.0016 0.0155  364 TRP B NE1 
3771 C CE2 . TRP B 119 ? 0.2237 0.1821 0.1489 -0.0250 0.0036  0.0172  364 TRP B CE2 
3772 C CE3 . TRP B 119 ? 0.2705 0.2112 0.1765 -0.0199 0.0126  0.0168  364 TRP B CE3 
3773 C CZ2 . TRP B 119 ? 0.2254 0.1855 0.1517 -0.0261 0.0057  0.0199  364 TRP B CZ2 
3774 C CZ3 . TRP B 119 ? 0.2851 0.2272 0.1919 -0.0210 0.0147  0.0197  364 TRP B CZ3 
3775 C CH2 . TRP B 119 ? 0.2582 0.2101 0.1753 -0.0241 0.0113  0.0211  364 TRP B CH2 
3786 N N   . ASN B 120 ? 0.2421 0.1790 0.1498 -0.0124 0.0098  0.0016  365 ASN B N   
3787 C CA  . ASN B 120 ? 0.2644 0.1938 0.1646 -0.0086 0.0145  -0.0008 365 ASN B CA  
3788 C C   . ASN B 120 ? 0.2709 0.2028 0.1775 -0.0075 0.0256  -0.0020 365 ASN B C   
3789 O O   . ASN B 120 ? 0.2359 0.1777 0.1567 -0.0096 0.0291  -0.0027 365 ASN B O   
3790 C CB  . ASN B 120 ? 0.2663 0.1978 0.1700 -0.0073 0.0117  -0.0048 365 ASN B CB  
3791 C CG  . ASN B 120 ? 0.2752 0.2001 0.1726 -0.0031 0.0173  -0.0077 365 ASN B CG  
3792 O OD1 . ASN B 120 ? 0.2729 0.1871 0.1560 -0.0008 0.0177  -0.0064 365 ASN B OD1 
3793 N ND2 . ASN B 120 ? 0.2642 0.1958 0.1725 -0.0018 0.0216  -0.0119 365 ASN B ND2 
3800 N N   . ASP B 121 ? 0.2993 0.2218 0.1952 -0.0042 0.0313  -0.0021 366 ASP B N   
3801 C CA  . ASP B 121 ? 0.2917 0.2161 0.1939 -0.0028 0.0425  -0.0039 366 ASP B CA  
3802 C C   . ASP B 121 ? 0.2940 0.2209 0.2016 -0.0004 0.0451  -0.0087 366 ASP B C   
3803 O O   . ASP B 121 ? 0.2718 0.1919 0.1693 0.0021  0.0411  -0.0098 366 ASP B O   
3804 C CB  . ASP B 121 ? 0.3060 0.2192 0.1945 -0.0004 0.0483  -0.0013 366 ASP B CB  
3805 C CG  . ASP B 121 ? 0.3001 0.2009 0.1711 0.0034  0.0455  -0.0014 366 ASP B CG  
3806 O OD1 . ASP B 121 ? 0.2783 0.1773 0.1445 0.0034  0.0364  -0.0020 366 ASP B OD1 
3807 O OD2 . ASP B 121 ? 0.2912 0.1835 0.1527 0.0066  0.0526  -0.0008 366 ASP B OD2 
3812 N N   . ASP B 122 ? 0.3107 0.2475 0.2344 -0.0012 0.0515  -0.0117 367 ASP B N   
3813 C CA  . ASP B 122 ? 0.3016 0.2423 0.2324 0.0011  0.0541  -0.0167 367 ASP B CA  
3814 C C   . ASP B 122 ? 0.2883 0.2331 0.2293 0.0018  0.0658  -0.0189 367 ASP B C   
3815 O O   . ASP B 122 ? 0.2890 0.2336 0.2318 0.0003  0.0718  -0.0164 367 ASP B O   
3816 C CB  . ASP B 122 ? 0.3184 0.2692 0.2612 -0.0006 0.0471  -0.0193 367 ASP B CB  
3817 C CG  . ASP B 122 ? 0.3336 0.2839 0.2755 0.0024  0.0446  -0.0235 367 ASP B CG  
3818 O OD1 . ASP B 122 ? 0.3340 0.2801 0.2725 0.0057  0.0507  -0.0258 367 ASP B OD1 
3819 O OD2 . ASP B 122 ? 0.3282 0.2821 0.2727 0.0016  0.0364  -0.0246 367 ASP B OD2 
3824 N N   . LYS B 123 ? 0.2849 0.2336 0.2332 0.0040  0.0692  -0.0236 368 LYS B N   
3825 C CA  . LYS B 123 ? 0.3081 0.2609 0.2669 0.0048  0.0805  -0.0262 368 LYS B CA  
3826 C C   . LYS B 123 ? 0.2638 0.2293 0.2420 0.0014  0.0828  -0.0277 368 LYS B C   
3827 O O   . LYS B 123 ? 0.2286 0.2029 0.2171 0.0002  0.0767  -0.0301 368 LYS B O   
3828 C CB  . LYS B 123 ? 0.3570 0.3109 0.3184 0.0084  0.0829  -0.0313 368 LYS B CB  
3829 C CG  . LYS B 123 ? 0.4398 0.3810 0.3827 0.0124  0.0832  -0.0304 368 LYS B CG  
3830 C CD  . LYS B 123 ? 0.5120 0.4487 0.4444 0.0134  0.0716  -0.0303 368 LYS B CD  
3831 C CE  . LYS B 123 ? 0.5416 0.4644 0.4541 0.0175  0.0713  -0.0290 368 LYS B CE  
3832 N NZ  . LYS B 123 ? 0.5078 0.4245 0.4082 0.0177  0.0597  -0.0276 368 LYS B NZ  
3846 N N   . CYS B 124 ? 0.2943 0.2603 0.2773 0.0000  0.0916  -0.0262 369 CYS B N   
3847 C CA  . CYS B 124 ? 0.3058 0.2827 0.3061 -0.0034 0.0936  -0.0271 369 CYS B CA  
3848 C C   . CYS B 124 ? 0.2638 0.2524 0.2827 -0.0030 0.0956  -0.0333 369 CYS B C   
3849 O O   . CYS B 124 ? 0.2354 0.2340 0.2686 -0.0055 0.0935  -0.0348 369 CYS B O   
3850 C CB  . CYS B 124 ? 0.4279 0.4014 0.4282 -0.0047 0.1033  -0.0243 369 CYS B CB  
3851 S SG  . CYS B 124 ? 0.5008 0.4607 0.4792 -0.0048 0.1005  -0.0169 369 CYS B SG  
3856 N N   . ASN B 125 ? 0.2824 0.2701 0.3017 0.0001  0.0993  -0.0371 370 ASN B N   
3857 C CA  . ASN B 125 ? 0.3318 0.3307 0.3689 0.0008  0.1011  -0.0434 370 ASN B CA  
3858 C C   . ASN B 125 ? 0.3106 0.3145 0.3499 0.0017  0.0904  -0.0461 370 ASN B C   
3859 O O   . ASN B 125 ? 0.2852 0.2985 0.3389 0.0027  0.0906  -0.0516 370 ASN B O   
3860 C CB  . ASN B 125 ? 0.3965 0.3934 0.4344 0.0040  0.1097  -0.0467 370 ASN B CB  
3861 C CG  . ASN B 125 ? 0.4832 0.4700 0.5033 0.0079  0.1059  -0.0461 370 ASN B CG  
3862 O OD1 . ASN B 125 ? 0.4912 0.4713 0.4974 0.0079  0.0975  -0.0428 370 ASN B OD1 
3863 N ND2 . ASN B 125 ? 0.5519 0.5378 0.5730 0.0111  0.1123  -0.0495 370 ASN B ND2 
3870 N N   . LEU B 126 ? 0.3114 0.3089 0.3366 0.0016  0.0814  -0.0426 371 LEU B N   
3871 C CA  . LEU B 126 ? 0.3517 0.3524 0.3772 0.0025  0.0714  -0.0447 371 LEU B CA  
3872 C C   . LEU B 126 ? 0.3239 0.3344 0.3617 -0.0004 0.0666  -0.0448 371 LEU B C   
3873 O O   . LEU B 126 ? 0.3199 0.3305 0.3577 -0.0035 0.0668  -0.0409 371 LEU B O   
3874 C CB  . LEU B 126 ? 0.4360 0.4253 0.4416 0.0034  0.0641  -0.0408 371 LEU B CB  
3875 C CG  . LEU B 126 ? 0.5411 0.5288 0.5408 0.0053  0.0545  -0.0424 371 LEU B CG  
3876 C CD1 . LEU B 126 ? 0.5484 0.5231 0.5276 0.0058  0.0496  -0.0379 371 LEU B CD1 
3877 C CD2 . LEU B 126 ? 0.6110 0.6071 0.6197 0.0033  0.0469  -0.0430 371 LEU B CD2 
3889 N N   . ALA B 127 ? 0.2926 0.3111 0.3405 0.0008  0.0621  -0.0495 372 ALA B N   
3890 C CA  . ALA B 127 ? 0.2848 0.3125 0.3440 -0.0014 0.0572  -0.0500 372 ALA B CA  
3891 C C   . ALA B 127 ? 0.2510 0.2746 0.2991 -0.0026 0.0472  -0.0458 372 ALA B C   
3892 O O   . ALA B 127 ? 0.2582 0.2765 0.2963 -0.0006 0.0413  -0.0460 372 ALA B O   
3893 C CB  . ALA B 127 ? 0.3076 0.3452 0.3815 0.0009  0.0561  -0.0567 372 ALA B CB  
3899 N N   . LYS B 128 ? 0.2143 0.2404 0.2646 -0.0058 0.0453  -0.0421 373 LYS B N   
3900 C CA  . LYS B 128 ? 0.1531 0.1767 0.1950 -0.0074 0.0364  -0.0380 373 LYS B CA  
3901 C C   . LYS B 128 ? 0.1601 0.1931 0.2139 -0.0097 0.0341  -0.0376 373 LYS B C   
3902 O O   . LYS B 128 ? 0.1693 0.2092 0.2358 -0.0105 0.0398  -0.0397 373 LYS B O   
3903 C CB  . LYS B 128 ? 0.1607 0.1740 0.1869 -0.0090 0.0360  -0.0320 373 LYS B CB  
3904 C CG  . LYS B 128 ? 0.2034 0.2060 0.2155 -0.0066 0.0374  -0.0317 373 LYS B CG  
3905 C CD  . LYS B 128 ? 0.2107 0.2034 0.2080 -0.0080 0.0369  -0.0259 373 LYS B CD  
3906 C CE  . LYS B 128 ? 0.2408 0.2221 0.2232 -0.0052 0.0386  -0.0256 373 LYS B CE  
3907 N NZ  . LYS B 128 ? 0.2843 0.2614 0.2584 -0.0037 0.0303  -0.0264 373 LYS B NZ  
3921 N N   . PHE B 129 ? 0.1725 0.2055 0.2218 -0.0109 0.0259  -0.0348 374 PHE B N   
3922 C CA  . PHE B 129 ? 0.1693 0.2098 0.2272 -0.0133 0.0238  -0.0332 374 PHE B CA  
3923 C C   . PHE B 129 ? 0.1739 0.2118 0.2290 -0.0160 0.0282  -0.0286 374 PHE B C   
3924 O O   . PHE B 129 ? 0.1684 0.1978 0.2129 -0.0161 0.0316  -0.0262 374 PHE B O   
3925 C CB  . PHE B 129 ? 0.1685 0.2090 0.2214 -0.0139 0.0145  -0.0308 374 PHE B CB  
3926 C CG  . PHE B 129 ? 0.2105 0.2533 0.2658 -0.0110 0.0100  -0.0350 374 PHE B CG  
3927 C CD1 . PHE B 129 ? 0.2302 0.2826 0.2988 -0.0098 0.0088  -0.0389 374 PHE B CD1 
3928 C CD2 . PHE B 129 ? 0.2263 0.2612 0.2703 -0.0092 0.0067  -0.0353 374 PHE B CD2 
3929 C CE1 . PHE B 129 ? 0.2281 0.2823 0.2984 -0.0067 0.0044  -0.0430 374 PHE B CE1 
3930 C CE2 . PHE B 129 ? 0.2287 0.2651 0.2743 -0.0063 0.0025  -0.0392 374 PHE B CE2 
3931 C CZ  . PHE B 129 ? 0.2299 0.2761 0.2887 -0.0050 0.0014  -0.0431 374 PHE B CZ  
3941 N N   . TRP B 130 ? 0.1669 0.2118 0.2310 -0.0180 0.0282  -0.0276 375 TRP B N   
3942 C CA  . TRP B 130 ? 0.1636 0.2061 0.2249 -0.0205 0.0318  -0.0233 375 TRP B CA  
3943 C C   . TRP B 130 ? 0.1523 0.2006 0.2176 -0.0226 0.0268  -0.0205 375 TRP B C   
3944 O O   . TRP B 130 ? 0.1629 0.2183 0.2361 -0.0219 0.0223  -0.0227 375 TRP B O   
3945 C CB  . TRP B 130 ? 0.1696 0.2147 0.2407 -0.0206 0.0415  -0.0258 375 TRP B CB  
3946 C CG  . TRP B 130 ? 0.1710 0.2273 0.2599 -0.0208 0.0431  -0.0298 375 TRP B CG  
3947 C CD1 . TRP B 130 ? 0.1634 0.2252 0.2602 -0.0228 0.0438  -0.0284 375 TRP B CD1 
3948 C CD2 . TRP B 130 ? 0.1648 0.2280 0.2658 -0.0186 0.0438  -0.0361 375 TRP B CD2 
3949 N NE1 . TRP B 130 ? 0.1680 0.2394 0.2807 -0.0220 0.0447  -0.0335 375 TRP B NE1 
3950 C CE2 . TRP B 130 ? 0.1705 0.2431 0.2863 -0.0194 0.0447  -0.0384 375 TRP B CE2 
3951 C CE3 . TRP B 130 ? 0.1887 0.2509 0.2891 -0.0158 0.0435  -0.0402 375 TRP B CE3 
3952 C CZ2 . TRP B 130 ? 0.1771 0.2584 0.3077 -0.0175 0.0451  -0.0448 375 TRP B CZ2 
3953 C CZ3 . TRP B 130 ? 0.2261 0.2970 0.3411 -0.0139 0.0440  -0.0465 375 TRP B CZ3 
3954 C CH2 . TRP B 130 ? 0.2208 0.3011 0.3507 -0.0148 0.0448  -0.0488 375 TRP B CH2 
3965 N N   . ILE B 131 ? 0.1766 0.2069 0.2615 -0.0138 0.0061  -0.0465 376 ILE B N   
3966 C CA  . ILE B 131 ? 0.1916 0.2107 0.2713 -0.0072 0.0081  -0.0388 376 ILE B CA  
3967 C C   . ILE B 131 ? 0.1743 0.1872 0.2523 -0.0104 0.0111  -0.0352 376 ILE B C   
3968 O O   . ILE B 131 ? 0.1508 0.1688 0.2308 -0.0171 0.0129  -0.0313 376 ILE B O   
3969 C CB  . ILE B 131 ? 0.1865 0.2082 0.2653 -0.0047 0.0092  -0.0293 376 ILE B CB  
3970 C CG1 . ILE B 131 ? 0.2176 0.2426 0.2963 -0.0007 0.0060  -0.0324 376 ILE B CG1 
3971 C CG2 . ILE B 131 ? 0.1758 0.1876 0.2498 0.0010  0.0117  -0.0211 376 ILE B CG2 
3972 C CD1 . ILE B 131 ? 0.2399 0.2701 0.3185 -0.0002 0.0069  -0.0239 376 ILE B CD1 
3984 N N   . CYS B 132 ? 0.1806 0.1821 0.2546 -0.0054 0.0114  -0.0363 377 CYS B N   
3985 C CA  . CYS B 132 ? 0.1935 0.1868 0.2648 -0.0071 0.0139  -0.0325 377 CYS B CA  
3986 C C   . CYS B 132 ? 0.1858 0.1714 0.2532 -0.0007 0.0158  -0.0227 377 CYS B C   
3987 O O   . CYS B 132 ? 0.1780 0.1621 0.2437 0.0063  0.0151  -0.0211 377 CYS B O   
3988 C CB  . CYS B 132 ? 0.2610 0.2463 0.3303 -0.0060 0.0131  -0.0403 377 CYS B CB  
3989 S SG  . CYS B 132 ? 0.2968 0.2902 0.3704 -0.0125 0.0107  -0.0536 377 CYS B SG  
3994 N N   . LYS B 133 ? 0.1767 0.1570 0.2421 -0.0030 0.0179  -0.0166 378 LYS B N   
3995 C CA  . LYS B 133 ? 0.1741 0.1475 0.2360 0.0029  0.0197  -0.0074 378 LYS B CA  
3996 C C   . LYS B 133 ? 0.1815 0.1429 0.2396 0.0032  0.0207  -0.0063 378 LYS B C   
3997 O O   . LYS B 133 ? 0.1857 0.1462 0.2437 -0.0041 0.0210  -0.0080 378 LYS B O   
3998 C CB  . LYS B 133 ? 0.1854 0.1664 0.2492 -0.0003 0.0210  0.0011  378 LYS B CB  
3999 C CG  . LYS B 133 ? 0.2051 0.1805 0.2660 0.0053  0.0227  0.0107  378 LYS B CG  
4000 C CD  . LYS B 133 ? 0.1928 0.1760 0.2558 0.0007  0.0238  0.0184  378 LYS B CD  
4001 C CE  . LYS B 133 ? 0.2149 0.1928 0.2752 0.0057  0.0252  0.0276  378 LYS B CE  
4002 N NZ  . LYS B 133 ? 0.2334 0.2193 0.2957 0.0011  0.0261  0.0347  378 LYS B NZ  
4016 N N   . LYS B 134 ? 0.1871 0.1392 0.2414 0.0114  0.0212  -0.0034 379 LYS B N   
4017 C CA  . LYS B 134 ? 0.1985 0.1386 0.2488 0.0126  0.0221  -0.0009 379 LYS B CA  
4018 C C   . LYS B 134 ? 0.2042 0.1385 0.2517 0.0216  0.0230  0.0057  379 LYS B C   
4019 O O   . LYS B 134 ? 0.2010 0.1398 0.2493 0.0271  0.0229  0.0067  379 LYS B O   
4020 C CB  . LYS B 134 ? 0.2373 0.1693 0.2855 0.0126  0.0212  -0.0092 379 LYS B CB  
4021 C CG  . LYS B 134 ? 0.2998 0.2289 0.3470 0.0206  0.0202  -0.0142 379 LYS B CG  
4022 C CD  . LYS B 134 ? 0.4172 0.3371 0.4621 0.0202  0.0196  -0.0214 379 LYS B CD  
4023 C CE  . LYS B 134 ? 0.5026 0.4248 0.5486 0.0221  0.0178  -0.0307 379 LYS B CE  
4024 N NZ  . LYS B 134 ? 0.5717 0.4852 0.6155 0.0207  0.0175  -0.0372 379 LYS B NZ  
4038 N N   . SER B 135 ? 0.2344 0.1589 0.2785 0.0230  0.0237  0.0102  380 SER B N   
4039 C CA  . SER B 135 ? 0.2999 0.2198 0.3417 0.0315  0.0245  0.0166  380 SER B CA  
4040 C C   . SER B 135 ? 0.2925 0.2067 0.3323 0.0396  0.0242  0.0121  380 SER B C   
4041 O O   . SER B 135 ? 0.2756 0.1848 0.3143 0.0389  0.0233  0.0048  380 SER B O   
4042 C CB  . SER B 135 ? 0.3614 0.2719 0.3999 0.0309  0.0247  0.0223  380 SER B CB  
4043 O OG  . SER B 135 ? 0.3945 0.2933 0.4295 0.0306  0.0241  0.0179  380 SER B OG  
4049 N N   . ALA B 136 ? 0.2853 0.2008 0.3244 0.0472  0.0250  0.0163  381 ALA B N   
4050 C CA  . ALA B 136 ? 0.2818 0.1926 0.3187 0.0551  0.0249  0.0129  381 ALA B CA  
4051 C C   . ALA B 136 ? 0.2806 0.1788 0.3137 0.0601  0.0251  0.0140  381 ALA B C   
4052 O O   . ALA B 136 ? 0.2757 0.1695 0.3077 0.0596  0.0254  0.0194  381 ALA B O   
4053 C CB  . ALA B 136 ? 0.2724 0.1910 0.3100 0.0604  0.0257  0.0167  381 ALA B CB  
4059 N N   . ALA B 137 ? 0.2986 0.1905 0.3295 0.0653  0.0248  0.0086  382 ALA B N   
4060 C CA  . ALA B 137 ? 0.3755 0.2557 0.4028 0.0713  0.0249  0.0090  382 ALA B CA  
4061 C C   . ALA B 137 ? 0.4052 0.2876 0.4319 0.0796  0.0260  0.0143  382 ALA B C   
4062 O O   . ALA B 137 ? 0.3821 0.2737 0.4102 0.0818  0.0267  0.0152  382 ALA B O   
4063 C CB  . ALA B 137 ? 0.3989 0.2721 0.4241 0.0736  0.0242  0.0009  382 ALA B CB  
4069 N N   . SER B 138 ? 0.4689 0.3428 0.4933 0.0842  0.0261  0.0175  383 SER B N   
4070 C CA  . SER B 138 ? 0.5607 0.4366 0.5846 0.0926  0.0270  0.0218  383 SER B CA  
4071 C C   . SER B 138 ? 0.6506 0.5256 0.6723 0.0960  0.0251  0.0157  383 SER B C   
4072 O O   . SER B 138 ? 0.6255 0.4913 0.6452 0.0956  0.0236  0.0113  383 SER B O   
4073 C CB  . SER B 138 ? 0.6069 0.4773 0.6299 0.0942  0.0266  0.0280  383 SER B CB  
4074 O OG  . SER B 138 ? 0.6351 0.5114 0.6578 0.0996  0.0257  0.0299  383 SER B OG  
4080 N N   . CYS B 139 ? 0.7591 0.6439 0.7813 0.0987  0.0250  0.0154  384 CYS B N   
4081 C CA  . CYS B 139 ? 0.8034 0.6888 0.8245 0.1012  0.0235  0.0102  384 CYS B CA  
4082 C C   . CYS B 139 ? 0.7765 0.6670 0.7976 0.1059  0.0236  0.0133  384 CYS B C   
4083 O O   . CYS B 139 ? 0.7422 0.6417 0.7640 0.1070  0.0251  0.0171  384 CYS B O   
4084 C CB  . CYS B 139 ? 0.8027 0.6942 0.8239 0.0994  0.0234  0.0058  384 CYS B CB  
4085 S SG  . CYS B 139 ? 0.7434 0.6300 0.7649 0.0942  0.0228  0.0005  384 CYS B SG  
4090 N N   . CYS C 8   ? 0.5533 0.6918 0.6951 -0.0467 -0.0175 0.0132  253 CYS C N   
4091 C CA  . CYS C 8   ? 0.5576 0.6922 0.7034 -0.0426 -0.0206 0.0109  253 CYS C CA  
4092 C C   . CYS C 8   ? 0.4524 0.5744 0.5924 -0.0418 -0.0210 0.0045  253 CYS C C   
4093 O O   . CYS C 8   ? 0.4350 0.5525 0.5738 -0.0467 -0.0252 0.0031  253 CYS C O   
4094 C CB  . CYS C 8   ? 0.6589 0.7992 0.8159 -0.0457 -0.0302 0.0150  253 CYS C CB  
4095 S SG  . CYS C 8   ? 0.6808 0.8187 0.8442 -0.0402 -0.0341 0.0133  253 CYS C SG  
4099 N N   . HIS C 9   ? 0.3766 0.4931 0.5134 -0.0356 -0.0168 0.0005  254 HIS C N   
4100 C CA  . HIS C 9   ? 0.3332 0.4381 0.4656 -0.0341 -0.0175 -0.0056 254 HIS C CA  
4101 C C   . HIS C 9   ? 0.2587 0.3621 0.3954 -0.0286 -0.0189 -0.0070 254 HIS C C   
4102 O O   . HIS C 9   ? 0.2476 0.3575 0.3875 -0.0246 -0.0160 -0.0043 254 HIS C O   
4103 C CB  . HIS C 9   ? 0.3608 0.4584 0.4817 -0.0319 -0.0089 -0.0102 254 HIS C CB  
4104 C CG  . HIS C 9   ? 0.3752 0.4768 0.4922 -0.0269 -0.0001 -0.0095 254 HIS C CG  
4105 N ND1 . HIS C 9   ? 0.3660 0.4619 0.4780 -0.0204 0.0058  -0.0135 254 HIS C ND1 
4106 C CD2 . HIS C 9   ? 0.3620 0.4726 0.4793 -0.0273 0.0039  -0.0051 254 HIS C CD2 
4107 C CE1 . HIS C 9   ? 0.3750 0.4764 0.4845 -0.0170 0.0130  -0.0117 254 HIS C CE1 
4108 N NE2 . HIS C 9   ? 0.3726 0.4829 0.4851 -0.0211 0.0121  -0.0066 254 HIS C NE2 
4116 N N   . PRO C 10  ? 0.2192 0.3144 0.3566 -0.0283 -0.0234 -0.0109 255 PRO C N   
4117 C CA  . PRO C 10  ? 0.1959 0.2905 0.3390 -0.0238 -0.0263 -0.0115 255 PRO C CA  
4118 C C   . PRO C 10  ? 0.1777 0.2684 0.3155 -0.0165 -0.0186 -0.0150 255 PRO C C   
4119 O O   . PRO C 10  ? 0.1810 0.2742 0.3238 -0.0122 -0.0194 -0.0142 255 PRO C O   
4120 C CB  . PRO C 10  ? 0.1885 0.2751 0.3333 -0.0265 -0.0336 -0.0149 255 PRO C CB  
4121 C CG  . PRO C 10  ? 0.2139 0.2936 0.3503 -0.0299 -0.0314 -0.0181 255 PRO C CG  
4122 C CD  . PRO C 10  ? 0.2270 0.3140 0.3612 -0.0328 -0.0274 -0.0143 255 PRO C CD  
4130 N N   . CYS C 11  ? 0.1701 0.2544 0.2978 -0.0149 -0.0113 -0.0190 256 CYS C N   
4131 C CA  . CYS C 11  ? 0.1781 0.2575 0.3003 -0.0079 -0.0042 -0.0229 256 CYS C CA  
4132 C C   . CYS C 11  ? 0.2106 0.2921 0.3251 -0.0060 0.0052  -0.0226 256 CYS C C   
4133 O O   . CYS C 11  ? 0.2506 0.3330 0.3612 -0.0102 0.0067  -0.0217 256 CYS C O   
4134 C CB  . CYS C 11  ? 0.2078 0.2746 0.3243 -0.0067 -0.0044 -0.0295 256 CYS C CB  
4135 S SG  . CYS C 11  ? 0.2448 0.3079 0.3696 -0.0079 -0.0149 -0.0306 256 CYS C SG  
4140 N N   . PRO C 12  ? 0.2016 0.2836 0.3137 0.0003  0.0117  -0.0236 257 PRO C N   
4141 C CA  . PRO C 12  ? 0.2104 0.2932 0.3144 0.0026  0.0211  -0.0241 257 PRO C CA  
4142 C C   . PRO C 12  ? 0.1974 0.2701 0.2912 0.0016  0.0249  -0.0294 257 PRO C C   
4143 O O   . PRO C 12  ? 0.1847 0.2484 0.2768 0.0014  0.0219  -0.0338 257 PRO C O   
4144 C CB  . PRO C 12  ? 0.2269 0.3102 0.3304 0.0101  0.0264  -0.0252 257 PRO C CB  
4145 C CG  . PRO C 12  ? 0.2211 0.3066 0.3341 0.0112  0.0194  -0.0237 257 PRO C CG  
4146 C CD  . PRO C 12  ? 0.1946 0.2760 0.3110 0.0058  0.0108  -0.0245 257 PRO C CD  
4154 N N   . TRP C 13  ? 0.1866 0.2607 0.2735 0.0010  0.0317  -0.0291 258 TRP C N   
4155 C CA  . TRP C 13  ? 0.1858 0.2505 0.2625 0.0005  0.0362  -0.0340 258 TRP C CA  
4156 C C   . TRP C 13  ? 0.2174 0.2725 0.2893 0.0062  0.0394  -0.0398 258 TRP C C   
4157 O O   . TRP C 13  ? 0.2021 0.2588 0.2749 0.0119  0.0428  -0.0399 258 TRP C O   
4158 C CB  . TRP C 13  ? 0.1778 0.2457 0.2475 0.0007  0.0444  -0.0330 258 TRP C CB  
4159 C CG  . TRP C 13  ? 0.1812 0.2552 0.2523 -0.0058 0.0421  -0.0290 258 TRP C CG  
4160 C CD1 . TRP C 13  ? 0.2014 0.2863 0.2801 -0.0086 0.0388  -0.0229 258 TRP C CD1 
4161 C CD2 . TRP C 13  ? 0.1973 0.2666 0.2619 -0.0104 0.0431  -0.0309 258 TRP C CD2 
4162 N NE1 . TRP C 13  ? 0.2091 0.2965 0.2864 -0.0147 0.0376  -0.0208 258 TRP C NE1 
4163 C CE2 . TRP C 13  ? 0.1947 0.2725 0.2634 -0.0158 0.0402  -0.0257 258 TRP C CE2 
4164 C CE3 . TRP C 13  ? 0.2261 0.2848 0.2818 -0.0104 0.0461  -0.0364 258 TRP C CE3 
4165 C CZ2 . TRP C 13  ? 0.1998 0.2758 0.2639 -0.0212 0.0402  -0.0259 258 TRP C CZ2 
4166 C CZ3 . TRP C 13  ? 0.2277 0.2846 0.2789 -0.0157 0.0461  -0.0367 258 TRP C CZ3 
4167 C CH2 . TRP C 13  ? 0.2130 0.2786 0.2684 -0.0210 0.0432  -0.0314 258 TRP C CH2 
4178 N N   . GLU C 14  ? 0.2764 0.3214 0.3430 0.0045  0.0383  -0.0447 259 GLU C N   
4179 C CA  . GLU C 14  ? 0.3410 0.3754 0.4019 0.0089  0.0410  -0.0508 259 GLU C CA  
4180 C C   . GLU C 14  ? 0.3029 0.3349 0.3709 0.0103  0.0341  -0.0518 259 GLU C C   
4181 O O   . GLU C 14  ? 0.3146 0.3374 0.3786 0.0134  0.0351  -0.0569 259 GLU C O   
4182 C CB  . GLU C 14  ? 0.4338 0.4675 0.4886 0.0156  0.0504  -0.0525 259 GLU C CB  
4183 C CG  . GLU C 14  ? 0.5528 0.5891 0.6006 0.0149  0.0578  -0.0516 259 GLU C CG  
4184 C CD  . GLU C 14  ? 0.6656 0.7033 0.7091 0.0215  0.0665  -0.0522 259 GLU C CD  
4185 O OE1 . GLU C 14  ? 0.7024 0.7345 0.7443 0.0268  0.0684  -0.0557 259 GLU C OE1 
4186 O OE2 . GLU C 14  ? 0.7116 0.7558 0.7531 0.0214  0.0715  -0.0491 259 GLU C OE2 
4193 N N   . TRP C 15  ? 0.2413 0.2809 0.3194 0.0079  0.0270  -0.0472 260 TRP C N   
4194 C CA  . TRP C 15  ? 0.2082 0.2457 0.2933 0.0087  0.0199  -0.0479 260 TRP C CA  
4195 C C   . TRP C 15  ? 0.2295 0.2632 0.3170 0.0026  0.0119  -0.0487 260 TRP C C   
4196 O O   . TRP C 15  ? 0.2708 0.3076 0.3583 -0.0030 0.0100  -0.0463 260 TRP C O   
4197 C CB  . TRP C 15  ? 0.1768 0.2247 0.2718 0.0100  0.0166  -0.0425 260 TRP C CB  
4198 C CG  . TRP C 15  ? 0.1924 0.2436 0.2860 0.0166  0.0236  -0.0420 260 TRP C CG  
4199 C CD1 . TRP C 15  ? 0.2157 0.2698 0.3034 0.0186  0.0319  -0.0413 260 TRP C CD1 
4200 C CD2 . TRP C 15  ? 0.1984 0.2506 0.2969 0.0219  0.0229  -0.0421 260 TRP C CD2 
4201 N NE1 . TRP C 15  ? 0.2384 0.2950 0.3267 0.0249  0.0364  -0.0411 260 TRP C NE1 
4202 C CE2 . TRP C 15  ? 0.2329 0.2884 0.3278 0.0270  0.0310  -0.0415 260 TRP C CE2 
4203 C CE3 . TRP C 15  ? 0.1544 0.2048 0.2596 0.0228  0.0162  -0.0427 260 TRP C CE3 
4204 C CZ2 . TRP C 15  ? 0.2296 0.2867 0.3276 0.0330  0.0326  -0.0415 260 TRP C CZ2 
4205 C CZ3 . TRP C 15  ? 0.1616 0.2137 0.2701 0.0287  0.0177  -0.0427 260 TRP C CZ3 
4206 C CH2 . TRP C 15  ? 0.1877 0.2430 0.2925 0.0337  0.0258  -0.0421 260 TRP C CH2 
4217 N N   . THR C 16  ? 0.2059 0.2366 0.2862 0.0020  0.0027  -0.0000 261 THR C N   
4218 C CA  . THR C 16  ? 0.1933 0.2284 0.2608 0.0024  -0.0047 -0.0055 261 THR C CA  
4219 C C   . THR C 16  ? 0.1847 0.2237 0.2574 0.0046  -0.0133 -0.0027 261 THR C C   
4220 O O   . THR C 16  ? 0.1776 0.2210 0.2609 0.0049  -0.0179 0.0011  261 THR C O   
4221 C CB  . THR C 16  ? 0.2288 0.2702 0.2896 0.0006  -0.0084 -0.0102 261 THR C CB  
4222 O OG1 . THR C 16  ? 0.2362 0.2734 0.2923 -0.0016 -0.0001 -0.0130 261 THR C OG1 
4223 C CG2 . THR C 16  ? 0.2744 0.3206 0.3225 0.0012  -0.0158 -0.0158 261 THR C CG2 
4231 N N   . PHE C 17  ? 0.1792 0.2163 0.2445 0.0060  -0.0152 -0.0045 262 PHE C N   
4232 C CA  . PHE C 17  ? 0.1792 0.2194 0.2486 0.0080  -0.0232 -0.0024 262 PHE C CA  
4233 C C   . PHE C 17  ? 0.1935 0.2417 0.2558 0.0081  -0.0328 -0.0068 262 PHE C C   
4234 O O   . PHE C 17  ? 0.2299 0.2795 0.2789 0.0076  -0.0337 -0.0126 262 PHE C O   
4235 C CB  . PHE C 17  ? 0.2225 0.2573 0.2871 0.0096  -0.0213 -0.0022 262 PHE C CB  
4236 C CG  . PHE C 17  ? 0.3254 0.3626 0.3934 0.0116  -0.0292 -0.0004 262 PHE C CG  
4237 C CD1 . PHE C 17  ? 0.3806 0.4224 0.4386 0.0125  -0.0368 -0.0050 262 PHE C CD1 
4238 C CD2 . PHE C 17  ? 0.3387 0.3737 0.4201 0.0126  -0.0290 0.0058  262 PHE C CD2 
4239 C CE1 . PHE C 17  ? 0.3768 0.4204 0.4382 0.0143  -0.0439 -0.0036 262 PHE C CE1 
4240 C CE2 . PHE C 17  ? 0.3298 0.3666 0.4144 0.0142  -0.0362 0.0073  262 PHE C CE2 
4241 C CZ  . PHE C 17  ? 0.3564 0.3973 0.4311 0.0151  -0.0435 0.0025  262 PHE C CZ  
4251 N N   . PHE C 18  ? 0.1924 0.2458 0.2632 0.0088  -0.0399 -0.0042 263 PHE C N   
4252 C CA  . PHE C 18  ? 0.1880 0.2487 0.2529 0.0092  -0.0493 -0.0081 263 PHE C CA  
4253 C C   . PHE C 18  ? 0.1759 0.2392 0.2500 0.0106  -0.0563 -0.0045 263 PHE C C   
4254 O O   . PHE C 18  ? 0.1832 0.2479 0.2698 0.0102  -0.0570 0.0004  263 PHE C O   
4255 C CB  . PHE C 18  ? 0.1856 0.2520 0.2494 0.0074  -0.0505 -0.0102 263 PHE C CB  
4256 C CG  . PHE C 18  ? 0.1989 0.2733 0.2580 0.0078  -0.0600 -0.0137 263 PHE C CG  
4257 C CD1 . PHE C 18  ? 0.2321 0.3090 0.2777 0.0081  -0.0629 -0.0199 263 PHE C CD1 
4258 C CD2 . PHE C 18  ? 0.1912 0.2708 0.2594 0.0078  -0.0658 -0.0108 263 PHE C CD2 
4259 C CE1 . PHE C 18  ? 0.2372 0.3213 0.2787 0.0086  -0.0712 -0.0231 263 PHE C CE1 
4260 C CE2 . PHE C 18  ? 0.2063 0.2930 0.2698 0.0081  -0.0742 -0.0142 263 PHE C CE2 
4261 C CZ  . PHE C 18  ? 0.2195 0.3047 0.2674 0.0075  -0.0729 -0.0184 263 PHE C CZ  
4271 N N   . GLN C 19  ? 0.1693 0.2329 0.2375 0.0123  -0.0615 -0.0067 264 GLN C N   
4272 C CA  . GLN C 19  ? 0.1987 0.2650 0.2738 0.0136  -0.0691 -0.0046 264 GLN C CA  
4273 C C   . GLN C 19  ? 0.1954 0.2589 0.2859 0.0135  -0.0669 0.0024  264 GLN C C   
4274 O O   . GLN C 19  ? 0.1928 0.2605 0.2927 0.0131  -0.0719 0.0053  264 GLN C O   
4275 C CB  . GLN C 19  ? 0.2301 0.3048 0.3038 0.0130  -0.0770 -0.0073 264 GLN C CB  
4276 C CG  . GLN C 19  ? 0.2927 0.3693 0.3501 0.0128  -0.0777 -0.0134 264 GLN C CG  
4277 C CD  . GLN C 19  ? 0.3514 0.4297 0.4010 0.0100  -0.0763 -0.0126 264 GLN C CD  
4278 O OE1 . GLN C 19  ? 0.3652 0.4458 0.4208 0.0089  -0.0762 -0.0093 264 GLN C OE1 
4279 N NE2 . GLN C 19  ? 0.3784 0.4552 0.4155 0.0089  -0.0749 -0.0152 264 GLN C NE2 
4288 N N   . GLY C 20  ? 0.2104 0.2667 0.3033 0.0139  -0.0595 0.0053  265 GLY C N   
4289 C CA  . GLY C 20  ? 0.2109 0.2640 0.3180 0.0141  -0.0573 0.0120  265 GLY C CA  
4290 C C   . GLY C 20  ? 0.2133 0.2666 0.3317 0.0127  -0.0523 0.0166  265 GLY C C   
4291 O O   . GLY C 20  ? 0.2212 0.2725 0.3526 0.0129  -0.0506 0.0226  265 GLY C O   
4295 N N   . ASN C 21  ? 0.2017 0.2572 0.3158 0.0113  -0.0499 0.0142  266 ASN C N   
4296 C CA  . ASN C 21  ? 0.1774 0.2327 0.3015 0.0101  -0.0445 0.0185  266 ASN C CA  
4297 C C   . ASN C 21  ? 0.1583 0.2090 0.2744 0.0092  -0.0357 0.0156  266 ASN C C   
4298 O O   . ASN C 21  ? 0.1551 0.2047 0.2572 0.0092  -0.0354 0.0099  266 ASN C O   
4299 C CB  . ASN C 21  ? 0.2005 0.2638 0.3291 0.0091  -0.0506 0.0190  266 ASN C CB  
4300 C CG  . ASN C 21  ? 0.2058 0.2734 0.3444 0.0096  -0.0584 0.0227  266 ASN C CG  
4301 O OD1 . ASN C 21  ? 0.2004 0.2663 0.3521 0.0097  -0.0565 0.0288  266 ASN C OD1 
4302 N ND2 . ASN C 21  ? 0.2090 0.2820 0.3412 0.0098  -0.0672 0.0187  266 ASN C ND2 
4309 N N   . CYS C 22  ? 0.1487 0.1969 0.2740 0.0083  -0.0287 0.0198  267 CYS C N   
4310 C CA  . CYS C 22  ? 0.1765 0.2195 0.2967 0.0072  -0.0194 0.0179  267 CYS C CA  
4311 C C   . CYS C 22  ? 0.1615 0.2085 0.2852 0.0056  -0.0186 0.0183  267 CYS C C   
4312 O O   . CYS C 22  ? 0.1461 0.1968 0.2824 0.0056  -0.0209 0.0235  267 CYS C O   
4313 C CB  . CYS C 22  ? 0.1983 0.2335 0.3269 0.0078  -0.0102 0.0228  267 CYS C CB  
4314 S SG  . CYS C 22  ? 0.2300 0.2603 0.3565 0.0097  -0.0105 0.0236  267 CYS C SG  
4319 N N   . TYR C 23  ? 0.1370 0.1834 0.2496 0.0042  -0.0154 0.0128  268 TYR C N   
4320 C CA  . TYR C 23  ? 0.1310 0.1812 0.2451 0.0026  -0.0148 0.0124  268 TYR C CA  
4321 C C   . TYR C 23  ? 0.1675 0.2113 0.2790 0.0011  -0.0042 0.0111  268 TYR C C   
4322 O O   . TYR C 23  ? 0.1595 0.1979 0.2611 0.0008  0.0006  0.0071  268 TYR C O   
4323 C CB  . TYR C 23  ? 0.1216 0.1787 0.2241 0.0018  -0.0223 0.0063  268 TYR C CB  
4324 C CG  . TYR C 23  ? 0.1198 0.1835 0.2241 0.0031  -0.0329 0.0068  268 TYR C CG  
4325 C CD1 . TYR C 23  ? 0.1169 0.1795 0.2156 0.0046  -0.0367 0.0049  268 TYR C CD1 
4326 C CD2 . TYR C 23  ? 0.1263 0.1970 0.2380 0.0028  -0.0388 0.0095  268 TYR C CD2 
4327 C CE1 . TYR C 23  ? 0.1206 0.1887 0.2210 0.0057  -0.0462 0.0052  268 TYR C CE1 
4328 C CE2 . TYR C 23  ? 0.1247 0.2012 0.2381 0.0038  -0.0483 0.0099  268 TYR C CE2 
4329 C CZ  . TYR C 23  ? 0.1346 0.2095 0.2422 0.0052  -0.0518 0.0075  268 TYR C CZ  
4330 O OH  . TYR C 23  ? 0.1596 0.2397 0.2686 0.0061  -0.0611 0.0075  268 TYR C OH  
4340 N N   . PHE C 24  ? 0.1891 0.2337 0.3092 0.0001  -0.0008 0.0143  269 PHE C N   
4341 C CA  . PHE C 24  ? 0.1801 0.2185 0.2994 -0.0014 0.0095  0.0134  269 PHE C CA  
4342 C C   . PHE C 24  ? 0.1724 0.2153 0.2923 -0.0031 0.0087  0.0125  269 PHE C C   
4343 O O   . PHE C 24  ? 0.1769 0.2251 0.3075 -0.0027 0.0048  0.0174  269 PHE C O   
4344 C CB  . PHE C 24  ? 0.1974 0.2294 0.3302 -0.0004 0.0174  0.0201  269 PHE C CB  
4345 C CG  . PHE C 24  ? 0.2669 0.2923 0.4007 -0.0019 0.0284  0.0197  269 PHE C CG  
4346 C CD1 . PHE C 24  ? 0.3117 0.3294 0.4360 -0.0026 0.0362  0.0155  269 PHE C CD1 
4347 C CD2 . PHE C 24  ? 0.3014 0.3284 0.4454 -0.0025 0.0308  0.0237  269 PHE C CD2 
4348 C CE1 . PHE C 24  ? 0.3262 0.3375 0.4511 -0.0041 0.0465  0.0148  269 PHE C CE1 
4349 C CE2 . PHE C 24  ? 0.3250 0.3456 0.4703 -0.0038 0.0412  0.0233  269 PHE C CE2 
4350 C CZ  . PHE C 24  ? 0.3187 0.3313 0.4543 -0.0047 0.0489  0.0187  269 PHE C CZ  
4360 N N   . MET C 25  ? 0.1828 0.2240 0.2913 -0.0051 0.0124  0.0064  270 MET C N   
4361 C CA  . MET C 25  ? 0.2241 0.2682 0.3331 -0.0069 0.0135  0.0054  270 MET C CA  
4362 C C   . MET C 25  ? 0.2285 0.2647 0.3427 -0.0081 0.0251  0.0072  270 MET C C   
4363 O O   . MET C 25  ? 0.2655 0.2943 0.3732 -0.0087 0.0322  0.0040  270 MET C O   
4364 C CB  . MET C 25  ? 0.3028 0.3508 0.3963 -0.0087 0.0097  -0.0026 270 MET C CB  
4365 C CG  . MET C 25  ? 0.3731 0.4246 0.4668 -0.0108 0.0104  -0.0037 270 MET C CG  
4366 S SD  . MET C 25  ? 0.4254 0.4826 0.5016 -0.0128 0.0052  -0.0129 270 MET C SD  
4367 C CE  . MET C 25  ? 0.4525 0.5206 0.5340 -0.0124 -0.0045 -0.0104 270 MET C CE  
4377 N N   . SER C 26  ? 0.2034 0.2412 0.3291 -0.0083 0.0270  0.0120  271 SER C N   
4378 C CA  . SER C 26  ? 0.2154 0.2457 0.3485 -0.0091 0.0382  0.0147  271 SER C CA  
4379 C C   . SER C 26  ? 0.2595 0.2858 0.3808 -0.0119 0.0443  0.0076  271 SER C C   
4380 O O   . SER C 26  ? 0.2454 0.2762 0.3548 -0.0134 0.0393  0.0016  271 SER C O   
4381 C CB  . SER C 26  ? 0.1919 0.2260 0.3399 -0.0086 0.0379  0.0218  271 SER C CB  
4382 O OG  . SER C 26  ? 0.1731 0.2138 0.3164 -0.0102 0.0328  0.0192  271 SER C OG  
4388 N N   . ASN C 27  ? 0.3586 0.3759 0.4832 -0.0126 0.0553  0.0083  272 ASN C N   
4389 C CA  . ASN C 27  ? 0.4995 0.5122 0.6155 -0.0156 0.0623  0.0025  272 ASN C CA  
4390 C C   . ASN C 27  ? 0.4473 0.4583 0.5747 -0.0163 0.0682  0.0067  272 ASN C C   
4391 O O   . ASN C 27  ? 0.4786 0.4841 0.6018 -0.0187 0.0760  0.0029  272 ASN C O   
4392 C CB  . ASN C 27  ? 0.6977 0.7009 0.8062 -0.0162 0.0708  -0.0014 272 ASN C CB  
4393 C CG  . ASN C 27  ? 0.8646 0.8600 0.9859 -0.0145 0.0797  0.0048  272 ASN C CG  
4394 O OD1 . ASN C 27  ? 0.9661 0.9633 1.1027 -0.0129 0.0797  0.0123  272 ASN C OD1 
4395 N ND2 . ASN C 27  ? 0.8822 0.8697 0.9976 -0.0147 0.0865  0.0021  272 ASN C ND2 
4402 N N   . SER C 28  ? 0.3551 0.3707 0.4971 -0.0144 0.0649  0.0145  273 SER C N   
4403 C CA  . SER C 28  ? 0.3163 0.3321 0.4699 -0.0147 0.0688  0.0195  273 SER C CA  
4404 C C   . SER C 28  ? 0.2721 0.2988 0.4315 -0.0138 0.0584  0.0237  273 SER C C   
4405 O O   . SER C 28  ? 0.2648 0.2980 0.4203 -0.0127 0.0489  0.0230  273 SER C O   
4406 C CB  . SER C 28  ? 0.3440 0.3528 0.5124 -0.0130 0.0777  0.0266  273 SER C CB  
4407 O OG  . SER C 28  ? 0.3861 0.3990 0.5643 -0.0102 0.0721  0.0329  273 SER C OG  
4413 N N   . GLN C 29  ? 0.2430 0.2716 0.4119 -0.0142 0.0604  0.0281  274 GLN C N   
4414 C CA  . GLN C 29  ? 0.2183 0.2572 0.3925 -0.0136 0.0512  0.0322  274 GLN C CA  
4415 C C   . GLN C 29  ? 0.2178 0.2578 0.4108 -0.0115 0.0529  0.0424  274 GLN C C   
4416 O O   . GLN C 29  ? 0.2123 0.2452 0.4143 -0.0113 0.0626  0.0460  274 GLN C O   
4417 C CB  . GLN C 29  ? 0.2457 0.2877 0.4132 -0.0161 0.0508  0.0282  274 GLN C CB  
4418 C CG  . GLN C 29  ? 0.3038 0.3450 0.4533 -0.0184 0.0495  0.0181  274 GLN C CG  
4419 C CD  . GLN C 29  ? 0.3805 0.4236 0.5241 -0.0212 0.0506  0.0141  274 GLN C CD  
4420 O OE1 . GLN C 29  ? 0.3963 0.4480 0.5356 -0.0217 0.0425  0.0128  274 GLN C OE1 
4421 N NE2 . GLN C 29  ? 0.4231 0.4579 0.5665 -0.0231 0.0610  0.0121  274 GLN C NE2 
4430 N N   . ARG C 30  ? 0.2300 0.2787 0.4289 -0.0099 0.0434  0.0471  275 ARG C N   
4431 C CA  . ARG C 30  ? 0.2543 0.3061 0.4710 -0.0080 0.0431  0.0571  275 ARG C CA  
4432 C C   . ARG C 30  ? 0.2020 0.2655 0.4201 -0.0079 0.0320  0.0597  275 ARG C C   
4433 O O   . ARG C 30  ? 0.2021 0.2710 0.4080 -0.0088 0.0240  0.0539  275 ARG C O   
4434 C CB  . ARG C 30  ? 0.3133 0.3627 0.5386 -0.0057 0.0434  0.0617  275 ARG C CB  
4435 C CG  . ARG C 30  ? 0.3582 0.3962 0.5836 -0.0054 0.0545  0.0602  275 ARG C CG  
4436 C CD  . ARG C 30  ? 0.3833 0.4203 0.6184 -0.0031 0.0540  0.0655  275 ARG C CD  
4437 N NE  . ARG C 30  ? 0.4462 0.4725 0.6807 -0.0027 0.0644  0.0640  275 ARG C NE  
4438 C CZ  . ARG C 30  ? 0.4964 0.5193 0.7423 -0.0007 0.0681  0.0698  275 ARG C CZ  
4439 N NH1 . ARG C 30  ? 0.4778 0.5075 0.7374 0.0011  0.0623  0.0776  275 ARG C NH1 
4440 N NH2 . ARG C 30  ? 0.5409 0.5540 0.7847 -0.0005 0.0778  0.0676  275 ARG C NH2 
4454 N N   . ASN C 31  ? 0.1769 0.2444 0.4101 -0.0067 0.0314  0.0686  276 ASN C N   
4455 C CA  . ASN C 31  ? 0.1656 0.2446 0.4007 -0.0065 0.0205  0.0715  276 ASN C CA  
4456 C C   . ASN C 31  ? 0.1623 0.2457 0.3977 -0.0052 0.0120  0.0723  276 ASN C C   
4457 O O   . ASN C 31  ? 0.1501 0.2279 0.3857 -0.0042 0.0147  0.0714  276 ASN C O   
4458 C CB  . ASN C 31  ? 0.2128 0.2954 0.4634 -0.0058 0.0222  0.0809  276 ASN C CB  
4459 C CG  . ASN C 31  ? 0.2458 0.3266 0.5133 -0.0035 0.0253  0.0898  276 ASN C CG  
4460 O OD1 . ASN C 31  ? 0.2435 0.3246 0.5128 -0.0024 0.0219  0.0904  276 ASN C OD1 
4461 N ND2 . ASN C 31  ? 0.2779 0.3559 0.5568 -0.0027 0.0317  0.0965  276 ASN C ND2 
4468 N N   . TRP C 32  ? 0.1832 0.2569 0.3837 0.0247  -0.0576 0.0227  277 TRP C N   
4469 C CA  . TRP C 32  ? 0.1911 0.2672 0.3931 0.0213  -0.0592 0.0215  277 TRP C CA  
4470 C C   . TRP C 32  ? 0.1875 0.2692 0.4052 0.0204  -0.0574 0.0235  277 TRP C C   
4471 O O   . TRP C 32  ? 0.1720 0.2545 0.3960 0.0200  -0.0539 0.0225  277 TRP C O   
4472 C CB  . TRP C 32  ? 0.1799 0.2563 0.3715 0.0170  -0.0662 0.0210  277 TRP C CB  
4473 C CG  . TRP C 32  ? 0.1795 0.2568 0.3691 0.0135  -0.0680 0.0191  277 TRP C CG  
4474 C CD1 . TRP C 32  ? 0.1691 0.2427 0.3502 0.0136  -0.0671 0.0159  277 TRP C CD1 
4475 C CD2 . TRP C 32  ? 0.2001 0.2817 0.3953 0.0095  -0.0714 0.0201  277 TRP C CD2 
4476 N NE1 . TRP C 32  ? 0.1669 0.2421 0.3482 0.0097  -0.0696 0.0151  277 TRP C NE1 
4477 C CE2 . TRP C 32  ? 0.1960 0.2761 0.3860 0.0069  -0.0722 0.0175  277 TRP C CE2 
4478 C CE3 . TRP C 32  ? 0.2578 0.3445 0.4621 0.0081  -0.0740 0.0225  277 TRP C CE3 
4479 C CZ2 . TRP C 32  ? 0.2373 0.3203 0.4307 0.0026  -0.0753 0.0174  277 TRP C CZ2 
4480 C CZ3 . TRP C 32  ? 0.2816 0.3718 0.4893 0.0041  -0.0772 0.0222  277 TRP C CZ3 
4481 C CH2 . TRP C 32  ? 0.2708 0.3589 0.4731 0.0011  -0.0777 0.0197  277 TRP C CH2 
4492 N N   . HIS C 33  ? 0.2108 0.2965 0.4352 0.0201  -0.0598 0.0263  278 HIS C N   
4493 C CA  . HIS C 33  ? 0.2478 0.3396 0.4876 0.0191  -0.0585 0.0280  278 HIS C CA  
4494 C C   . HIS C 33  ? 0.2470 0.3382 0.4965 0.0228  -0.0501 0.0284  278 HIS C C   
4495 O O   . HIS C 33  ? 0.2323 0.3269 0.4931 0.0217  -0.0467 0.0285  278 HIS C O   
4496 C CB  . HIS C 33  ? 0.2728 0.3692 0.5170 0.0189  -0.0629 0.0306  278 HIS C CB  
4497 C CG  . HIS C 33  ? 0.3159 0.4133 0.5519 0.0154  -0.0704 0.0302  278 HIS C CG  
4498 N ND1 . HIS C 33  ? 0.3237 0.4170 0.5467 0.0158  -0.0740 0.0302  278 HIS C ND1 
4499 C CD2 . HIS C 33  ? 0.3265 0.4281 0.5651 0.0114  -0.0746 0.0297  278 HIS C CD2 
4500 C CE1 . HIS C 33  ? 0.3406 0.4353 0.5580 0.0126  -0.0797 0.0298  278 HIS C CE1 
4501 N NE2 . HIS C 33  ? 0.3293 0.4290 0.5556 0.0099  -0.0804 0.0294  278 HIS C NE2 
4509 N N   . ASP C 34  ? 0.2427 0.3290 0.4874 0.0273  -0.0463 0.0285  279 ASP C N   
4510 C CA  . ASP C 34  ? 0.2464 0.3304 0.4972 0.0313  -0.0377 0.0287  279 ASP C CA  
4511 C C   . ASP C 34  ? 0.2043 0.2838 0.4513 0.0320  -0.0327 0.0258  279 ASP C C   
4512 O O   . ASP C 34  ? 0.2017 0.2801 0.4555 0.0342  -0.0252 0.0258  279 ASP C O   
4513 C CB  . ASP C 34  ? 0.2988 0.3778 0.5435 0.0358  -0.0351 0.0292  279 ASP C CB  
4514 C CG  . ASP C 34  ? 0.3305 0.4135 0.5818 0.0365  -0.0378 0.0323  279 ASP C CG  
4515 O OD1 . ASP C 34  ? 0.3141 0.4042 0.5760 0.0341  -0.0405 0.0340  279 ASP C OD1 
4516 O OD2 . ASP C 34  ? 0.3491 0.4281 0.5945 0.0395  -0.0373 0.0329  279 ASP C OD2 
4521 N N   . SER C 35  ? 0.1914 0.2681 0.4270 0.0305  -0.0365 0.0233  280 SER C N   
4522 C CA  . SER C 35  ? 0.1818 0.2546 0.4135 0.0315  -0.0325 0.0203  280 SER C CA  
4523 C C   . SER C 35  ? 0.1647 0.2425 0.4081 0.0278  -0.0321 0.0207  280 SER C C   
4524 O O   . SER C 35  ? 0.1344 0.2077 0.3774 0.0291  -0.0245 0.0192  280 SER C O   
4525 C CB  . SER C 35  ? 0.1906 0.2599 0.4071 0.0308  -0.0375 0.0173  280 SER C CB  
4526 O OG  . SER C 35  ? 0.1814 0.2453 0.3875 0.0344  -0.0364 0.0162  280 SER C OG  
4532 N N   . ILE C 36  ? 0.1880 0.2721 0.4358 0.0225  -0.0393 0.0220  281 ILE C N   
4533 C CA  . ILE C 36  ? 0.1993 0.2888 0.4593 0.0181  -0.0392 0.0224  281 ILE C CA  
4534 C C   . ILE C 36  ? 0.1866 0.2782 0.4616 0.0203  -0.0308 0.0240  281 ILE C C   
4535 O O   . ILE C 36  ? 0.1716 0.2620 0.4524 0.0197  -0.0244 0.0230  281 ILE C O   
4536 C CB  . ILE C 36  ? 0.2259 0.3212 0.4868 0.0129  -0.0481 0.0236  281 ILE C CB  
4537 C CG1 . ILE C 36  ? 0.2532 0.3454 0.4980 0.0102  -0.0551 0.0216  281 ILE C CG1 
4538 C CG2 . ILE C 36  ? 0.2657 0.3670 0.5408 0.0084  -0.0475 0.0239  281 ILE C CG2 
4539 C CD1 . ILE C 36  ? 0.3213 0.4171 0.5636 0.0058  -0.0629 0.0223  281 ILE C CD1 
4551 N N   . THR C 37  ? 0.1960 0.2894 0.4753 0.0226  -0.0300 0.0265  282 THR C N   
4552 C CA  . THR C 37  ? 0.2193 0.3148 0.5122 0.0245  -0.0224 0.0282  282 THR C CA  
4553 C C   . THR C 37  ? 0.2165 0.3038 0.5052 0.0296  -0.0121 0.0269  282 THR C C   
4554 O O   . THR C 37  ? 0.2320 0.3193 0.5303 0.0301  -0.0042 0.0274  282 THR C O   
4555 C CB  . THR C 37  ? 0.2775 0.3763 0.5747 0.0264  -0.0241 0.0309  282 THR C CB  
4556 O OG1 . THR C 37  ? 0.3798 0.4718 0.6659 0.0314  -0.0218 0.0308  282 THR C OG1 
4557 C CG2 . THR C 37  ? 0.2281 0.3327 0.5249 0.0228  -0.0341 0.0317  282 THR C CG2 
4565 N N   . ALA C 38  ? 0.2160 0.2955 0.4891 0.0334  -0.0117 0.0251  283 ALA C N   
4566 C CA  . ALA C 38  ? 0.2170 0.2869 0.4820 0.0387  -0.0020 0.0232  283 ALA C CA  
4567 C C   . ALA C 38  ? 0.1823 0.2486 0.4466 0.0375  0.0032  0.0211  283 ALA C C   
4568 O O   . ALA C 38  ? 0.1935 0.2540 0.4583 0.0405  0.0131  0.0207  283 ALA C O   
4569 C CB  . ALA C 38  ? 0.2230 0.2851 0.4693 0.0423  -0.0035 0.0208  283 ALA C CB  
4575 N N   . CYS C 39  ? 0.1566 0.2232 0.4129 0.0321  -0.0030 0.0192  284 CYS C N   
4576 C CA  . CYS C 39  ? 0.1569 0.2169 0.4051 0.0296  0.0019  0.0167  284 CYS C CA  
4577 C C   . CYS C 39  ? 0.1489 0.2148 0.4158 0.0259  0.0061  0.0187  284 CYS C C   
4578 O O   . CYS C 39  ? 0.1534 0.2124 0.4183 0.0268  0.0156  0.0178  284 CYS C O   
4579 C CB  . CYS C 39  ? 0.1949 0.2534 0.4291 0.0250  -0.0059 0.0141  284 CYS C CB  
4580 S SG  . CYS C 39  ? 0.2131 0.2642 0.4243 0.0290  -0.0094 0.0110  284 CYS C SG  
4585 N N   . LYS C 40  ? 0.1163 0.1949 0.4015 0.0218  -0.0008 0.0213  285 LYS C N   
4586 C CA  . LYS C 40  ? 0.1524 0.2382 0.4573 0.0180  0.0026  0.0230  285 LYS C CA  
4587 C C   . LYS C 40  ? 0.1584 0.2422 0.4726 0.0230  0.0139  0.0246  285 LYS C C   
4588 O O   . LYS C 40  ? 0.1795 0.2627 0.5021 0.0209  0.0215  0.0247  285 LYS C O   
4589 C CB  . LYS C 40  ? 0.1901 0.2911 0.5144 0.0142  -0.0069 0.0255  285 LYS C CB  
4590 C CG  . LYS C 40  ? 0.2549 0.3589 0.5726 0.0086  -0.0183 0.0242  285 LYS C CG  
4591 C CD  . LYS C 40  ? 0.3413 0.4542 0.6669 0.0053  -0.0264 0.0260  285 LYS C CD  
4592 C CE  . LYS C 40  ? 0.4408 0.5562 0.7605 -0.0006 -0.0363 0.0245  285 LYS C CE  
4593 N NZ  . LYS C 40  ? 0.5226 0.6363 0.8429 -0.0057 -0.0349 0.0220  285 LYS C NZ  
4607 N N   . GLU C 41  ? 0.1666 0.2487 0.4788 0.0297  0.0154  0.0259  286 GLU C N   
4608 C CA  . GLU C 41  ? 0.2315 0.3093 0.5469 0.0341  0.0255  0.0274  286 GLU C CA  
4609 C C   . GLU C 41  ? 0.2753 0.3413 0.5816 0.0379  0.0371  0.0253  286 GLU C C   
4610 O O   . GLU C 41  ? 0.3177 0.3800 0.6275 0.0399  0.0463  0.0265  286 GLU C O   
4611 C CB  . GLU C 41  ? 0.2395 0.3142 0.5451 0.0388  0.0234  0.0284  286 GLU C CB  
4612 C CG  . GLU C 41  ? 0.2150 0.2999 0.5305 0.0362  0.0149  0.0310  286 GLU C CG  
4613 C CD  . GLU C 41  ? 0.2112 0.2927 0.5162 0.0404  0.0123  0.0317  286 GLU C CD  
4614 O OE1 . GLU C 41  ? 0.2302 0.3020 0.5201 0.0447  0.0163  0.0299  286 GLU C OE1 
4615 O OE2 . GLU C 41  ? 0.2013 0.2896 0.5123 0.0393  0.0061  0.0337  286 GLU C OE2 
4622 N N   . VAL C 42  ? 0.2612 0.3172 0.5461 0.0371  0.0360  0.0218  287 VAL C N   
4623 C CA  . VAL C 42  ? 0.2608 0.3030 0.5309 0.0402  0.0464  0.0194  287 VAL C CA  
4624 C C   . VAL C 42  ? 0.3046 0.3442 0.5709 0.0335  0.0467  0.0176  287 VAL C C   
4625 O O   . VAL C 42  ? 0.3895 0.4165 0.6372 0.0351  0.0518  0.0147  287 VAL C O   
4626 C CB  . VAL C 42  ? 0.2426 0.2734 0.4890 0.0463  0.0465  0.0163  287 VAL C CB  
4627 C CG1 . VAL C 42  ? 0.2845 0.3153 0.5305 0.0518  0.0470  0.0178  287 VAL C CG1 
4628 C CG2 . VAL C 42  ? 0.2100 0.2421 0.4440 0.0428  0.0356  0.0140  287 VAL C CG2 
4638 N N   . GLY C 43  ? 0.2497 0.3010 0.5335 0.0264  0.0413  0.0192  288 GLY C N   
4639 C CA  . GLY C 43  ? 0.2195 0.2691 0.5018 0.0195  0.0413  0.0175  288 GLY C CA  
4640 C C   . GLY C 43  ? 0.2015 0.2441 0.4619 0.0177  0.0349  0.0142  288 GLY C C   
4641 O O   . GLY C 43  ? 0.2457 0.2788 0.4941 0.0156  0.0391  0.0119  288 GLY C O   
4645 N N   . ALA C 44  ? 0.1408 0.1878 0.3958 0.0186  0.0249  0.0140  289 ALA C N   
4646 C CA  . ALA C 44  ? 0.1551 0.1960 0.3891 0.0178  0.0187  0.0109  289 ALA C CA  
4647 C C   . ALA C 44  ? 0.1593 0.2113 0.3995 0.0133  0.0057  0.0119  289 ALA C C   
4648 O O   . ALA C 44  ? 0.1422 0.2063 0.4026 0.0108  0.0015  0.0148  289 ALA C O   
4649 C CB  . ALA C 44  ? 0.1522 0.1834 0.3673 0.0255  0.0217  0.0089  289 ALA C CB  
4655 N N   . GLN C 45  ? 0.1628 0.2106 0.3848 0.0128  -0.0007 0.0094  290 GLN C N   
4656 C CA  . GLN C 45  ? 0.1706 0.2269 0.3949 0.0087  -0.0127 0.0100  290 GLN C CA  
4657 C C   . GLN C 45  ? 0.1472 0.1991 0.3532 0.0123  -0.0171 0.0082  290 GLN C C   
4658 O O   . GLN C 45  ? 0.1641 0.2056 0.3510 0.0150  -0.0134 0.0050  290 GLN C O   
4659 C CB  . GLN C 45  ? 0.2318 0.2882 0.4542 0.0016  -0.0166 0.0086  290 GLN C CB  
4660 C CG  . GLN C 45  ? 0.2928 0.3573 0.5170 -0.0029 -0.0290 0.0092  290 GLN C CG  
4661 C CD  . GLN C 45  ? 0.2947 0.3589 0.5180 -0.0100 -0.0322 0.0077  290 GLN C CD  
4662 O OE1 . GLN C 45  ? 0.3148 0.3687 0.5201 -0.0106 -0.0300 0.0048  290 GLN C OE1 
4663 N NE2 . GLN C 45  ? 0.2428 0.3179 0.4856 -0.0151 -0.0373 0.0096  290 GLN C NE2 
4672 N N   . LEU C 46  ? 0.1436 0.2033 0.3554 0.0125  -0.0249 0.0101  291 LEU C N   
4673 C CA  . LEU C 46  ? 0.1414 0.1982 0.3373 0.0147  -0.0301 0.0084  291 LEU C CA  
4674 C C   . LEU C 46  ? 0.1625 0.2142 0.3415 0.0115  -0.0336 0.0053  291 LEU C C   
4675 O O   . LEU C 46  ? 0.2055 0.2612 0.3892 0.0058  -0.0388 0.0058  291 LEU C O   
4676 C CB  . LEU C 46  ? 0.1405 0.2068 0.3464 0.0138  -0.0387 0.0113  291 LEU C CB  
4677 C CG  . LEU C 46  ? 0.1848 0.2488 0.3768 0.0160  -0.0437 0.0100  291 LEU C CG  
4678 C CD1 . LEU C 46  ? 0.2125 0.2695 0.3960 0.0223  -0.0367 0.0083  291 LEU C CD1 
4679 C CD2 . LEU C 46  ? 0.2010 0.2741 0.4042 0.0148  -0.0519 0.0135  291 LEU C CD2 
4691 N N   . VAL C 47  ? 0.1362 0.1788 0.2954 0.0153  -0.0308 0.0018  292 VAL C N   
4692 C CA  . VAL C 47  ? 0.1542 0.1890 0.2970 0.0137  -0.0298 -0.0015 292 VAL C CA  
4693 C C   . VAL C 47  ? 0.1526 0.1915 0.2928 0.0078  -0.0393 -0.0014 292 VAL C C   
4694 O O   . VAL C 47  ? 0.1653 0.2085 0.3024 0.0073  -0.0469 -0.0011 292 VAL C O   
4695 C CB  . VAL C 47  ? 0.1847 0.2106 0.3069 0.0194  -0.0266 -0.0054 292 VAL C CB  
4696 C CG1 . VAL C 47  ? 0.1988 0.2285 0.3149 0.0202  -0.0338 -0.0060 292 VAL C CG1 
4697 C CG2 . VAL C 47  ? 0.2069 0.2239 0.3116 0.0188  -0.0246 -0.0088 292 VAL C CG2 
4707 N N   . VAL C 48  ? 0.1503 0.1870 0.2909 0.0034  -0.0386 -0.0019 293 VAL C N   
4708 C CA  . VAL C 48  ? 0.1801 0.2180 0.3148 -0.0019 -0.0464 -0.0026 293 VAL C CA  
4709 C C   . VAL C 48  ? 0.1974 0.2240 0.3097 -0.0005 -0.0432 -0.0066 293 VAL C C   
4710 O O   . VAL C 48  ? 0.1919 0.2106 0.3000 0.0008  -0.0349 -0.0079 293 VAL C O   
4711 C CB  . VAL C 48  ? 0.2026 0.2462 0.3539 -0.0082 -0.0482 -0.0007 293 VAL C CB  
4712 C CG1 . VAL C 48  ? 0.2403 0.2824 0.3826 -0.0135 -0.0550 -0.0022 293 VAL C CG1 
4713 C CG2 . VAL C 48  ? 0.1662 0.2221 0.3390 -0.0093 -0.0530 0.0030  293 VAL C CG2 
4723 N N   . ILE C 49  ? 0.2231 0.2486 0.3205 -0.0004 -0.0494 -0.0083 294 ILE C N   
4724 C CA  . ILE C 49  ? 0.2248 0.2402 0.2996 0.0020  -0.0470 -0.0123 294 ILE C CA  
4725 C C   . ILE C 49  ? 0.2110 0.2231 0.2801 -0.0033 -0.0502 -0.0130 294 ILE C C   
4726 O O   . ILE C 49  ? 0.2212 0.2397 0.2957 -0.0082 -0.0587 -0.0115 294 ILE C O   
4727 C CB  . ILE C 49  ? 0.2124 0.2287 0.2742 0.0052  -0.0518 -0.0141 294 ILE C CB  
4728 C CG1 . ILE C 49  ? 0.2040 0.2239 0.2728 0.0098  -0.0494 -0.0132 294 ILE C CG1 
4729 C CG2 . ILE C 49  ? 0.2384 0.2448 0.2772 0.0087  -0.0488 -0.0184 294 ILE C CG2 
4730 C CD1 . ILE C 49  ? 0.2087 0.2300 0.2663 0.0124  -0.0537 -0.0152 294 ILE C CD1 
4742 N N   . LYS C 50  ? 0.1847 0.1865 0.2426 -0.0023 -0.0434 -0.0154 295 LYS C N   
4743 C CA  . LYS C 50  ? 0.2169 0.2137 0.2685 -0.0074 -0.0452 -0.0163 295 LYS C CA  
4744 C C   . LYS C 50  ? 0.2231 0.2104 0.2496 -0.0049 -0.0456 -0.0200 295 LYS C C   
4745 O O   . LYS C 50  ? 0.2243 0.2077 0.2436 -0.0091 -0.0488 -0.0208 295 LYS C O   
4746 C CB  . LYS C 50  ? 0.2720 0.2634 0.3313 -0.0095 -0.0367 -0.0159 295 LYS C CB  
4747 C CG  . LYS C 50  ? 0.3008 0.3021 0.3864 -0.0129 -0.0361 -0.0124 295 LYS C CG  
4748 C CD  . LYS C 50  ? 0.3140 0.3249 0.4116 -0.0198 -0.0461 -0.0107 295 LYS C CD  
4749 C CE  . LYS C 50  ? 0.3160 0.3365 0.4401 -0.0235 -0.0452 -0.0077 295 LYS C CE  
4750 N NZ  . LYS C 50  ? 0.2893 0.3214 0.4258 -0.0286 -0.0565 -0.0059 295 LYS C NZ  
4764 N N   . SER C 51  ? 0.2429 0.2262 0.2555 0.0020  -0.0427 -0.0224 296 SER C N   
4765 C CA  . SER C 51  ? 0.2533 0.2280 0.2421 0.0049  -0.0430 -0.0261 296 SER C CA  
4766 C C   . SER C 51  ? 0.2363 0.2139 0.2155 0.0106  -0.0452 -0.0281 296 SER C C   
4767 O O   . SER C 51  ? 0.2289 0.2119 0.2174 0.0135  -0.0438 -0.0273 296 SER C O   
4768 C CB  . SER C 51  ? 0.2711 0.2325 0.2474 0.0084  -0.0333 -0.0284 296 SER C CB  
4769 O OG  . SER C 51  ? 0.2868 0.2458 0.2620 0.0153  -0.0262 -0.0294 296 SER C OG  
4775 N N   . ALA C 52  ? 0.2010 0.2403 0.2343 0.0535  -0.0303 -0.0139 297 ALA C N   
4776 C CA  . ALA C 52  ? 0.2005 0.2467 0.2350 0.0521  -0.0306 -0.0054 297 ALA C CA  
4777 C C   . ALA C 52  ? 0.1891 0.2386 0.2219 0.0395  -0.0308 -0.0032 297 ALA C C   
4778 O O   . ALA C 52  ? 0.1777 0.2312 0.2117 0.0346  -0.0301 -0.0008 297 ALA C O   
4779 C CB  . ALA C 52  ? 0.1815 0.2313 0.2162 0.0604  -0.0322 0.0035  297 ALA C CB  
4785 N N   . GLU C 53  ? 0.1679 0.2158 0.1977 0.0341  -0.0318 -0.0039 298 GLU C N   
4786 C CA  . GLU C 53  ? 0.1992 0.2501 0.2271 0.0220  -0.0320 -0.0021 298 GLU C CA  
4787 C C   . GLU C 53  ? 0.1854 0.2341 0.2137 0.0140  -0.0302 -0.0093 298 GLU C C   
4788 O O   . GLU C 53  ? 0.1814 0.2342 0.2097 0.0058  -0.0299 -0.0064 298 GLU C O   
4789 C CB  . GLU C 53  ? 0.3200 0.3683 0.3445 0.0181  -0.0332 -0.0031 298 GLU C CB  
4790 C CG  . GLU C 53  ? 0.4898 0.5422 0.5130 0.0213  -0.0352 0.0061  298 GLU C CG  
4791 C CD  . GLU C 53  ? 0.6124 0.6615 0.6323 0.0187  -0.0363 0.0044  298 GLU C CD  
4792 O OE1 . GLU C 53  ? 0.6536 0.6996 0.6728 0.0272  -0.0370 0.0042  298 GLU C OE1 
4793 O OE2 . GLU C 53  ? 0.6331 0.6822 0.6508 0.0083  -0.0364 0.0029  298 GLU C OE2 
4800 N N   . GLU C 54  ? 0.1838 0.2264 0.2126 0.0162  -0.0289 -0.0185 299 GLU C N   
4801 C CA  . GLU C 54  ? 0.1923 0.2325 0.2217 0.0094  -0.0269 -0.0258 299 GLU C CA  
4802 C C   . GLU C 54  ? 0.1723 0.2160 0.2045 0.0110  -0.0258 -0.0233 299 GLU C C   
4803 O O   . GLU C 54  ? 0.1509 0.1964 0.1830 0.0025  -0.0249 -0.0237 299 GLU C O   
4804 C CB  . GLU C 54  ? 0.2046 0.2375 0.2342 0.0131  -0.0259 -0.0359 299 GLU C CB  
4805 C CG  . GLU C 54  ? 0.2145 0.2441 0.2442 0.0055  -0.0239 -0.0444 299 GLU C CG  
4806 C CD  . GLU C 54  ? 0.2285 0.2511 0.2587 0.0098  -0.0228 -0.0544 299 GLU C CD  
4807 O OE1 . GLU C 54  ? 0.2353 0.2546 0.2652 0.0034  -0.0213 -0.0617 299 GLU C OE1 
4808 O OE2 . GLU C 54  ? 0.2289 0.2493 0.2595 0.0191  -0.0236 -0.0547 299 GLU C OE2 
4815 N N   . GLN C 55  ? 0.1696 0.2143 0.2042 0.0219  -0.0260 -0.0203 300 GLN C N   
4816 C CA  . GLN C 55  ? 0.1779 0.2261 0.2151 0.0243  -0.0251 -0.0172 300 GLN C CA  
4817 C C   . GLN C 55  ? 0.1841 0.2392 0.2208 0.0174  -0.0258 -0.0088 300 GLN C C   
4818 O O   . GLN C 55  ? 0.1812 0.2382 0.2187 0.0122  -0.0246 -0.0089 300 GLN C O   
4819 C CB  . GLN C 55  ? 0.1696 0.2181 0.2092 0.0374  -0.0255 -0.0144 300 GLN C CB  
4820 C CG  . GLN C 55  ? 0.1607 0.2152 0.2025 0.0409  -0.0256 -0.0065 300 GLN C CG  
4821 C CD  . GLN C 55  ? 0.1901 0.2449 0.2336 0.0374  -0.0236 -0.0096 300 GLN C CD  
4822 O OE1 . GLN C 55  ? 0.1982 0.2481 0.2419 0.0349  -0.0220 -0.0184 300 GLN C OE1 
4823 N NE2 . GLN C 55  ? 0.2170 0.2775 0.2619 0.0374  -0.0237 -0.0026 300 GLN C NE2 
4832 N N   . ASN C 56  ? 0.1873 0.2460 0.2225 0.0172  -0.0278 -0.0015 301 ASN C N   
4833 C CA  . ASN C 56  ? 0.1830 0.2487 0.2177 0.0109  -0.0286 0.0070  301 ASN C CA  
4834 C C   . ASN C 56  ? 0.1792 0.2445 0.2119 -0.0023 -0.0278 0.0038  301 ASN C C   
4835 O O   . ASN C 56  ? 0.1713 0.2409 0.2044 -0.0082 -0.0274 0.0073  301 ASN C O   
4836 C CB  . ASN C 56  ? 0.1778 0.2470 0.2111 0.0129  -0.0308 0.0149  301 ASN C CB  
4837 C CG  . ASN C 56  ? 0.2031 0.2731 0.2382 0.0258  -0.0316 0.0192  301 ASN C CG  
4838 O OD1 . ASN C 56  ? 0.2076 0.2771 0.2453 0.0331  -0.0307 0.0182  301 ASN C OD1 
4839 N ND2 . ASN C 56  ? 0.2236 0.2948 0.2571 0.0286  -0.0334 0.0242  301 ASN C ND2 
4846 N N   . PHE C 57  ? 0.1715 0.2318 0.2020 -0.0070 -0.0277 -0.0029 302 PHE C N   
4847 C CA  . PHE C 57  ? 0.1610 0.2203 0.1894 -0.0195 -0.0269 -0.0068 302 PHE C CA  
4848 C C   . PHE C 57  ? 0.1511 0.2089 0.1809 -0.0227 -0.0247 -0.0120 302 PHE C C   
4849 O O   . PHE C 57  ? 0.1546 0.2154 0.1837 -0.0316 -0.0242 -0.0101 302 PHE C O   
4850 C CB  . PHE C 57  ? 0.1897 0.2432 0.2158 -0.0217 -0.0271 -0.0136 302 PHE C CB  
4851 C CG  . PHE C 57  ? 0.2230 0.2731 0.2473 -0.0325 -0.0257 -0.0209 302 PHE C CG  
4852 C CD1 . PHE C 57  ? 0.2330 0.2860 0.2549 -0.0436 -0.0262 -0.0178 302 PHE C CD1 
4853 C CD2 . PHE C 57  ? 0.2434 0.2871 0.2683 -0.0315 -0.0240 -0.0308 302 PHE C CD2 
4854 C CE1 . PHE C 57  ? 0.2452 0.2948 0.2653 -0.0536 -0.0249 -0.0246 302 PHE C CE1 
4855 C CE2 . PHE C 57  ? 0.2597 0.3002 0.2830 -0.0414 -0.0227 -0.0375 302 PHE C CE2 
4856 C CZ  . PHE C 57  ? 0.2581 0.3015 0.2789 -0.0525 -0.0231 -0.0344 302 PHE C CZ  
4866 N N   . LEU C 58  ? 0.1454 0.1986 0.1772 -0.0155 -0.0234 -0.0185 303 LEU C N   
4867 C CA  . LEU C 58  ? 0.1503 0.2015 0.1834 -0.0178 -0.0211 -0.0241 303 LEU C CA  
4868 C C   . LEU C 58  ? 0.1643 0.2209 0.1994 -0.0160 -0.0209 -0.0175 303 LEU C C   
4869 O O   . LEU C 58  ? 0.1585 0.2161 0.1935 -0.0231 -0.0195 -0.0185 303 LEU C O   
4870 C CB  . LEU C 58  ? 0.1532 0.1985 0.1881 -0.0097 -0.0199 -0.0321 303 LEU C CB  
4871 C CG  . LEU C 58  ? 0.1888 0.2281 0.2220 -0.0114 -0.0199 -0.0399 303 LEU C CG  
4872 C CD1 . LEU C 58  ? 0.2000 0.2346 0.2352 -0.0008 -0.0193 -0.0456 303 LEU C CD1 
4873 C CD2 . LEU C 58  ? 0.2124 0.2490 0.2440 -0.0225 -0.0183 -0.0464 303 LEU C CD2 
4885 N N   . GLN C 59  ? 0.1717 0.2317 0.2085 -0.0066 -0.0221 -0.0109 304 GLN C N   
4886 C CA  . GLN C 59  ? 0.1777 0.2430 0.2166 -0.0043 -0.0219 -0.0044 304 GLN C CA  
4887 C C   . GLN C 59  ? 0.1770 0.2480 0.2143 -0.0143 -0.0226 0.0022  304 GLN C C   
4888 O O   . GLN C 59  ? 0.1757 0.2495 0.2138 -0.0177 -0.0216 0.0042  304 GLN C O   
4889 C CB  . GLN C 59  ? 0.1982 0.2662 0.2390 0.0074  -0.0232 0.0019  304 GLN C CB  
4890 C CG  . GLN C 59  ? 0.2126 0.2852 0.2559 0.0116  -0.0228 0.0073  304 GLN C CG  
4891 C CD  . GLN C 59  ? 0.1930 0.2614 0.2385 0.0169  -0.0208 0.0007  304 GLN C CD  
4892 O OE1 . GLN C 59  ? 0.1584 0.2224 0.2050 0.0254  -0.0206 -0.0040 304 GLN C OE1 
4893 N NE2 . GLN C 59  ? 0.1883 0.2581 0.2344 0.0121  -0.0193 0.0002  304 GLN C NE2 
4902 N N   . LEU C 60  ? 0.1759 0.2489 0.2110 -0.0188 -0.0242 0.0059  305 LEU C N   
4903 C CA  . LEU C 60  ? 0.1971 0.2755 0.2304 -0.0286 -0.0250 0.0121  305 LEU C CA  
4904 C C   . LEU C 60  ? 0.2088 0.2851 0.2409 -0.0393 -0.0232 0.0066  305 LEU C C   
4905 O O   . LEU C 60  ? 0.2450 0.3257 0.2769 -0.0451 -0.0230 0.0110  305 LEU C O   
4906 C CB  . LEU C 60  ? 0.2613 0.3409 0.2921 -0.0323 -0.0270 0.0153  305 LEU C CB  
4907 C CG  . LEU C 60  ? 0.3831 0.4679 0.4145 -0.0257 -0.0291 0.0247  305 LEU C CG  
4908 C CD1 . LEU C 60  ? 0.4341 0.5171 0.4631 -0.0261 -0.0307 0.0249  305 LEU C CD1 
4909 C CD2 . LEU C 60  ? 0.4403 0.5327 0.4716 -0.0313 -0.0299 0.0338  305 LEU C CD2 
4921 N N   . GLN C 61  ? 0.1882 0.2579 0.2193 -0.0417 -0.0219 -0.0029 306 GLN C N   
4922 C CA  . GLN C 61  ? 0.1907 0.2580 0.2203 -0.0521 -0.0201 -0.0085 306 GLN C CA  
4923 C C   . GLN C 61  ? 0.1776 0.2446 0.2093 -0.0502 -0.0182 -0.0104 306 GLN C C   
4924 O O   . GLN C 61  ? 0.1537 0.2225 0.1845 -0.0584 -0.0172 -0.0096 306 GLN C O   
4925 C CB  . GLN C 61  ? 0.2255 0.2858 0.2536 -0.0548 -0.0193 -0.0181 306 GLN C CB  
4926 C CG  . GLN C 61  ? 0.2744 0.3312 0.3011 -0.0645 -0.0171 -0.0252 306 GLN C CG  
4927 C CD  . GLN C 61  ? 0.3205 0.3811 0.3446 -0.0767 -0.0175 -0.0209 306 GLN C CD  
4928 O OE1 . GLN C 61  ? 0.3128 0.3783 0.3359 -0.0785 -0.0195 -0.0132 306 GLN C OE1 
4929 N NE2 . GLN C 61  ? 0.3609 0.4191 0.3839 -0.0850 -0.0156 -0.0260 306 GLN C NE2 
4938 N N   . SER C 62  ? 0.2011 0.2656 0.2354 -0.0396 -0.0175 -0.0132 307 SER C N   
4939 C CA  . SER C 62  ? 0.2478 0.3125 0.2843 -0.0368 -0.0158 -0.0142 307 SER C CA  
4940 C C   . SER C 62  ? 0.2115 0.2834 0.2486 -0.0373 -0.0166 -0.0045 307 SER C C   
4941 O O   . SER C 62  ? 0.2139 0.2871 0.2511 -0.0420 -0.0153 -0.0041 307 SER C O   
4942 C CB  . SER C 62  ? 0.3660 0.4272 0.4053 -0.0246 -0.0152 -0.0182 307 SER C CB  
4943 O OG  . SER C 62  ? 0.4594 0.5223 0.5009 -0.0204 -0.0140 -0.0164 307 SER C OG  
4949 N N   . SER C 63  ? 0.2081 0.2847 0.2457 -0.0324 -0.0187 0.0034  308 SER C N   
4950 C CA  . SER C 63  ? 0.2371 0.3209 0.2756 -0.0321 -0.0197 0.0131  308 SER C CA  
4951 C C   . SER C 63  ? 0.2363 0.3236 0.2724 -0.0448 -0.0197 0.0162  308 SER C C   
4952 O O   . SER C 63  ? 0.2380 0.3281 0.2744 -0.0481 -0.0189 0.0188  308 SER C O   
4953 C CB  . SER C 63  ? 0.2879 0.3758 0.3272 -0.0247 -0.0220 0.0207  308 SER C CB  
4954 O OG  . SER C 63  ? 0.3779 0.4731 0.4181 -0.0246 -0.0230 0.0303  308 SER C OG  
4960 N N   . ARG C 64  ? 0.2362 0.3231 0.2697 -0.0522 -0.0207 0.0158  309 ARG C N   
4961 C CA  . ARG C 64  ? 0.2593 0.3497 0.2902 -0.0643 -0.0211 0.0193  309 ARG C CA  
4962 C C   . ARG C 64  ? 0.2479 0.3349 0.2777 -0.0723 -0.0187 0.0129  309 ARG C C   
4963 O O   . ARG C 64  ? 0.2552 0.3458 0.2838 -0.0802 -0.0185 0.0166  309 ARG C O   
4964 C CB  . ARG C 64  ? 0.3382 0.4281 0.3664 -0.0702 -0.0225 0.0193  309 ARG C CB  
4965 C CG  . ARG C 64  ? 0.4781 0.5727 0.5065 -0.0654 -0.0250 0.0274  309 ARG C CG  
4966 C CD  . ARG C 64  ? 0.6094 0.7026 0.6348 -0.0723 -0.0262 0.0262  309 ARG C CD  
4967 N NE  . ARG C 64  ? 0.6682 0.7536 0.6927 -0.0730 -0.0250 0.0159  309 ARG C NE  
4968 C CZ  . ARG C 64  ? 0.6282 0.7099 0.6520 -0.0687 -0.0258 0.0129  309 ARG C CZ  
4969 N NH1 . ARG C 64  ? 0.6829 0.7680 0.7069 -0.0633 -0.0279 0.0195  309 ARG C NH1 
4970 N NH2 . ARG C 64  ? 0.5030 0.5778 0.5262 -0.0698 -0.0244 0.0032  309 ARG C NH2 
4984 N N   . SER C 65  ? 0.2287 0.3087 0.2586 -0.0711 -0.0170 0.0032  310 SER C N   
4985 C CA  . SER C 65  ? 0.2110 0.2872 0.2398 -0.0785 -0.0146 -0.0033 310 SER C CA  
4986 C C   . SER C 65  ? 0.2148 0.2915 0.2458 -0.0740 -0.0130 -0.0033 310 SER C C   
4987 O O   . SER C 65  ? 0.2138 0.2886 0.2438 -0.0805 -0.0111 -0.0070 310 SER C O   
4988 C CB  . SER C 65  ? 0.2306 0.2992 0.2588 -0.0788 -0.0133 -0.0138 310 SER C CB  
4989 O OG  . SER C 65  ? 0.2483 0.3134 0.2792 -0.0676 -0.0126 -0.0179 310 SER C OG  
4995 N N   . ASN C 66  ? 0.1857 0.2673 0.2145 -0.0157 0.0342  -0.0646 311 ASN C N   
4996 C CA  . ASN C 66  ? 0.2125 0.2930 0.2306 -0.0230 0.0372  -0.0668 311 ASN C CA  
4997 C C   . ASN C 66  ? 0.2008 0.2665 0.2340 -0.0220 0.0286  -0.0572 311 ASN C C   
4998 O O   . ASN C 66  ? 0.2098 0.2668 0.2455 -0.0255 0.0302  -0.0531 311 ASN C O   
4999 C CB  . ASN C 66  ? 0.2169 0.2935 0.2288 -0.0271 0.0420  -0.0645 311 ASN C CB  
5000 C CG  . ASN C 66  ? 0.2264 0.3005 0.2178 -0.0363 0.0436  -0.0655 311 ASN C CG  
5001 O OD1 . ASN C 66  ? 0.2303 0.2974 0.2123 -0.0392 0.0353  -0.0618 311 ASN C OD1 
5002 N ND2 . ASN C 66  ? 0.2216 0.2920 0.2093 -0.0390 0.0457  -0.0625 311 ASN C ND2 
5009 N N   . ARG C 67  ? 0.1864 0.2493 0.2299 -0.0171 0.0197  -0.0536 312 ARG C N   
5010 C CA  . ARG C 67  ? 0.1905 0.2404 0.2489 -0.0154 0.0106  -0.0445 312 ARG C CA  
5011 C C   . ARG C 67  ? 0.1883 0.2313 0.2364 -0.0173 -0.0020 -0.0390 312 ARG C C   
5012 O O   . ARG C 67  ? 0.2011 0.2499 0.2464 -0.0145 -0.0058 -0.0415 312 ARG C O   
5013 C CB  . ARG C 67  ? 0.2380 0.2908 0.3219 -0.0074 0.0112  -0.0447 312 ARG C CB  
5014 C CG  . ARG C 67  ? 0.3111 0.3663 0.4096 -0.0056 0.0215  -0.0472 312 ARG C CG  
5015 C CD  . ARG C 67  ? 0.3751 0.4346 0.4973 0.0023  0.0221  -0.0481 312 ARG C CD  
5016 N NE  . ARG C 67  ? 0.4362 0.4926 0.5677 0.0035  0.0292  -0.0476 312 ARG C NE  
5017 C CZ  . ARG C 67  ? 0.5365 0.5842 0.6697 0.0068  0.0259  -0.0425 312 ARG C CZ  
5018 N NH1 . ARG C 67  ? 0.5916 0.6379 0.7273 0.0100  0.0194  -0.0403 312 ARG C NH1 
5019 N NH2 . ARG C 67  ? 0.5699 0.6109 0.7006 0.0056  0.0292  -0.0401 312 ARG C NH2 
5033 N N   . PHE C 68  ? 0.1750 0.2054 0.2180 -0.0218 -0.0084 -0.0313 313 PHE C N   
5034 C CA  . PHE C 68  ? 0.2106 0.2332 0.2470 -0.0231 -0.0213 -0.0249 313 PHE C CA  
5035 C C   . PHE C 68  ? 0.1981 0.2171 0.2572 -0.0165 -0.0286 -0.0200 313 PHE C C   
5036 O O   . PHE C 68  ? 0.1695 0.1831 0.2465 -0.0139 -0.0276 -0.0162 313 PHE C O   
5037 C CB  . PHE C 68  ? 0.2456 0.2558 0.2699 -0.0297 -0.0253 -0.0181 313 PHE C CB  
5038 C CG  . PHE C 68  ? 0.2823 0.2958 0.2843 -0.0367 -0.0182 -0.0227 313 PHE C CG  
5039 C CD1 . PHE C 68  ? 0.2530 0.2733 0.2349 -0.0397 -0.0191 -0.0272 313 PHE C CD1 
5040 C CD2 . PHE C 68  ? 0.3510 0.3604 0.3518 -0.0404 -0.0104 -0.0227 313 PHE C CD2 
5041 C CE1 . PHE C 68  ? 0.2854 0.3093 0.2463 -0.0464 -0.0125 -0.0317 313 PHE C CE1 
5042 C CE2 . PHE C 68  ? 0.3570 0.3700 0.3368 -0.0473 -0.0035 -0.0273 313 PHE C CE2 
5043 C CZ  . PHE C 68  ? 0.3262 0.3466 0.2866 -0.0501 -0.0046 -0.0317 313 PHE C CZ  
5053 N N   . THR C 69  ? 0.1971 0.2197 0.2557 -0.0138 -0.0355 -0.0206 314 THR C N   
5054 C CA  . THR C 69  ? 0.2003 0.2238 0.2806 -0.0070 -0.0400 -0.0189 314 THR C CA  
5055 C C   . THR C 69  ? 0.1692 0.1878 0.2463 -0.0071 -0.0529 -0.0137 314 THR C C   
5056 O O   . THR C 69  ? 0.1678 0.1902 0.2281 -0.0094 -0.0557 -0.0166 314 THR C O   
5057 C CB  . THR C 69  ? 0.1991 0.2355 0.2853 -0.0021 -0.0319 -0.0277 314 THR C CB  
5058 O OG1 . THR C 69  ? 0.2165 0.2582 0.3057 -0.0021 -0.0195 -0.0328 314 THR C OG1 
5059 C CG2 . THR C 69  ? 0.2063 0.2438 0.3151 0.0048  -0.0356 -0.0264 314 THR C CG2 
5067 N N   . TRP C 70  ? 0.1592 0.1702 0.2536 -0.0042 -0.0607 -0.0064 315 TRP C N   
5068 C CA  . TRP C 70  ? 0.1554 0.1623 0.2490 -0.0039 -0.0734 -0.0013 315 TRP C CA  
5069 C C   . TRP C 70  ? 0.1636 0.1792 0.2617 0.0003  -0.0745 -0.0064 315 TRP C C   
5070 O O   . TRP C 70  ? 0.1652 0.1876 0.2780 0.0053  -0.0680 -0.0111 315 TRP C O   
5071 C CB  . TRP C 70  ? 0.1736 0.1715 0.2863 -0.0011 -0.0811 0.0073  315 TRP C CB  
5072 C CG  . TRP C 70  ? 0.2177 0.2042 0.3269 -0.0048 -0.0834 0.0146  315 TRP C CG  
5073 C CD1 . TRP C 70  ? 0.2264 0.2070 0.3521 -0.0024 -0.0810 0.0187  315 TRP C CD1 
5074 C CD2 . TRP C 70  ? 0.2468 0.2260 0.3356 -0.0111 -0.0890 0.0190  315 TRP C CD2 
5075 N NE1 . TRP C 70  ? 0.2339 0.2037 0.3502 -0.0068 -0.0846 0.0253  315 TRP C NE1 
5076 C CE2 . TRP C 70  ? 0.2521 0.2206 0.3456 -0.0123 -0.0896 0.0257  315 TRP C CE2 
5077 C CE3 . TRP C 70  ? 0.2402 0.2204 0.3068 -0.0159 -0.0935 0.0179  315 TRP C CE3 
5078 C CZ2 . TRP C 70  ? 0.2958 0.2547 0.3725 -0.0181 -0.0944 0.0314  315 TRP C CZ2 
5079 C CZ3 . TRP C 70  ? 0.2703 0.2413 0.3201 -0.0219 -0.0981 0.0234  315 TRP C CZ3 
5080 C CH2 . TRP C 70  ? 0.3124 0.2728 0.3673 -0.0229 -0.0987 0.0302  315 TRP C CH2 
5091 N N   . MET C 71  ? 0.1915 0.2062 0.2775 -0.0018 -0.0832 -0.0051 316 MET C N   
5092 C CA  . MET C 71  ? 0.2061 0.2260 0.2980 0.0020  -0.0874 -0.0076 316 MET C CA  
5093 C C   . MET C 71  ? 0.2118 0.2245 0.3100 0.0020  -0.1008 0.0003  316 MET C C   
5094 O O   . MET C 71  ? 0.2196 0.2237 0.3146 -0.0012 -0.1070 0.0075  316 MET C O   
5095 C CB  . MET C 71  ? 0.2286 0.2553 0.2994 -0.0004 -0.0854 -0.0143 316 MET C CB  
5096 C CG  . MET C 71  ? 0.2609 0.2823 0.3109 -0.0065 -0.0942 -0.0105 316 MET C CG  
5097 S SD  . MET C 71  ? 0.2481 0.2778 0.2721 -0.0094 -0.0902 -0.0191 316 MET C SD  
5098 C CE  . MET C 71  ? 0.2669 0.2995 0.2794 -0.0129 -0.0783 -0.0231 316 MET C CE  
5108 N N   . GLY C 72  ? 0.1937 0.2101 0.3005 0.0055  -0.1053 -0.0010 317 GLY C N   
5109 C CA  . GLY C 72  ? 0.2110 0.2207 0.3238 0.0058  -0.1151 0.0058  317 GLY C CA  
5110 C C   . GLY C 72  ? 0.2353 0.2421 0.3278 0.0010  -0.1226 0.0078  317 GLY C C   
5111 O O   . GLY C 72  ? 0.2285 0.2356 0.3180 0.0018  -0.1232 0.0067  317 GLY C O   
5115 N N   . LEU C 73  ? 0.2492 0.2524 0.3268 -0.0044 -0.1278 0.0108  318 LEU C N   
5116 C CA  . LEU C 73  ? 0.2455 0.2458 0.3011 -0.0095 -0.1327 0.0121  318 LEU C CA  
5117 C C   . LEU C 73  ? 0.2446 0.2357 0.2932 -0.0141 -0.1406 0.0203  318 LEU C C   
5118 O O   . LEU C 73  ? 0.2349 0.2231 0.2828 -0.0154 -0.1350 0.0211  318 LEU C O   
5119 C CB  . LEU C 73  ? 0.2754 0.2826 0.3108 -0.0122 -0.1264 0.0041  318 LEU C CB  
5120 C CG  . LEU C 73  ? 0.2997 0.3058 0.3113 -0.0170 -0.1278 0.0040  318 LEU C CG  
5121 C CD1 . LEU C 73  ? 0.2848 0.2928 0.2982 -0.0146 -0.1282 0.0031  318 LEU C CD1 
5122 C CD2 . LEU C 73  ? 0.3061 0.3189 0.2994 -0.0197 -0.1195 -0.0035 318 LEU C CD2 
5134 N N   . SER C 74  ? 0.2841 0.2693 0.3257 -0.0162 -0.1471 0.0254  319 SER C N   
5135 C CA  . SER C 74  ? 0.3434 0.3194 0.3779 -0.0204 -0.1547 0.0335  319 SER C CA  
5136 C C   . SER C 74  ? 0.3260 0.2990 0.3443 -0.0241 -0.1589 0.0355  319 SER C C   
5137 O O   . SER C 74  ? 0.3239 0.3012 0.3416 -0.0225 -0.1574 0.0320  319 SER C O   
5138 C CB  . SER C 74  ? 0.3988 0.3685 0.4547 -0.0168 -0.1592 0.0410  319 SER C CB  
5139 O OG  . SER C 74  ? 0.4195 0.3879 0.4826 -0.0148 -0.1624 0.0429  319 SER C OG  
5145 N N   . ASP C 75  ? 0.3455 0.3110 0.3506 -0.0291 -0.1640 0.0412  320 ASP C N   
5146 C CA  . ASP C 75  ? 0.3768 0.3381 0.3703 -0.0322 -0.1692 0.0447  320 ASP C CA  
5147 C C   . ASP C 75  ? 0.4063 0.3579 0.4078 -0.0324 -0.1777 0.0543  320 ASP C C   
5148 O O   . ASP C 75  ? 0.4417 0.3871 0.4303 -0.0367 -0.1825 0.0591  320 ASP C O   
5149 C CB  . ASP C 75  ? 0.3784 0.3406 0.3469 -0.0379 -0.1660 0.0417  320 ASP C CB  
5150 C CG  . ASP C 75  ? 0.4037 0.3590 0.3616 -0.0427 -0.1674 0.0458  320 ASP C CG  
5151 O OD1 . ASP C 75  ? 0.4244 0.3758 0.3941 -0.0412 -0.1696 0.0496  320 ASP C OD1 
5152 O OD2 . ASP C 75  ? 0.4228 0.3764 0.3606 -0.0478 -0.1660 0.0452  320 ASP C OD2 
5157 N N   . LEU C 76  ? 0.3862 0.3368 0.4098 -0.0275 -0.1786 0.0570  321 LEU C N   
5158 C CA  . LEU C 76  ? 0.4466 0.3886 0.4802 -0.0267 -0.1852 0.0657  321 LEU C CA  
5159 C C   . LEU C 76  ? 0.5477 0.4879 0.5803 -0.0274 -0.1909 0.0687  321 LEU C C   
5160 O O   . LEU C 76  ? 0.5741 0.5069 0.6005 -0.0302 -0.1971 0.0753  321 LEU C O   
5161 C CB  . LEU C 76  ? 0.4114 0.3544 0.4700 -0.0207 -0.1825 0.0663  321 LEU C CB  
5162 C CG  . LEU C 76  ? 0.4253 0.3672 0.4877 -0.0200 -0.1786 0.0666  321 LEU C CG  
5163 C CD1 . LEU C 76  ? 0.4230 0.3697 0.5093 -0.0136 -0.1723 0.0634  321 LEU C CD1 
5164 C CD2 . LEU C 76  ? 0.4635 0.3941 0.5215 -0.0222 -0.1837 0.0755  321 LEU C CD2 
5176 N N   . ASN C 77  ? 0.6169 0.5637 0.6551 -0.0250 -0.1889 0.0639  322 ASN C N   
5177 C CA  . ASN C 77  ? 0.7046 0.6503 0.7437 -0.0254 -0.1944 0.0666  322 ASN C CA  
5178 C C   . ASN C 77  ? 0.7024 0.6461 0.7198 -0.0308 -0.1976 0.0676  322 ASN C C   
5179 O O   . ASN C 77  ? 0.7702 0.7091 0.7850 -0.0326 -0.2042 0.0731  322 ASN C O   
5180 C CB  . ASN C 77  ? 0.7924 0.7453 0.8414 -0.0220 -0.1911 0.0611  322 ASN C CB  
5181 C CG  . ASN C 77  ? 0.8943 0.8483 0.9660 -0.0168 -0.1885 0.0610  322 ASN C CG  
5182 O OD1 . ASN C 77  ? 0.9575 0.9067 1.0395 -0.0157 -0.1906 0.0661  322 ASN C OD1 
5183 N ND2 . ASN C 77  ? 0.9173 0.8777 0.9967 -0.0138 -0.1833 0.0550  322 ASN C ND2 
5190 N N   . GLN C 78  ? 0.6139 0.5615 0.6155 -0.0333 -0.1924 0.0620  323 GLN C N   
5191 C CA  . GLN C 78  ? 0.5989 0.5454 0.5795 -0.0384 -0.1935 0.0619  323 GLN C CA  
5192 C C   . GLN C 78  ? 0.5649 0.5125 0.5297 -0.0416 -0.1876 0.0580  323 GLN C C   
5193 O O   . GLN C 78  ? 0.5491 0.5044 0.5116 -0.0402 -0.1802 0.0506  323 GLN C O   
5194 C CB  . GLN C 78  ? 0.6549 0.6076 0.6319 -0.0380 -0.1923 0.0574  323 GLN C CB  
5195 C CG  . GLN C 78  ? 0.7356 0.6867 0.6949 -0.0426 -0.1946 0.0584  323 GLN C CG  
5196 C CD  . GLN C 78  ? 0.7901 0.7463 0.7491 -0.0418 -0.1951 0.0555  323 GLN C CD  
5197 O OE1 . GLN C 78  ? 0.8458 0.7991 0.8052 -0.0430 -0.2016 0.0600  323 GLN C OE1 
5198 N NE2 . GLN C 78  ? 0.7669 0.7310 0.7257 -0.0396 -0.1883 0.0480  323 GLN C NE2 
5207 N N   . GLU C 79  ? 0.5618 0.5021 0.5153 -0.0459 -0.1904 0.0630  324 GLU C N   
5208 C CA  . GLU C 79  ? 0.5472 0.4879 0.4846 -0.0497 -0.1848 0.0598  324 GLU C CA  
5209 C C   . GLU C 79  ? 0.5360 0.4852 0.4600 -0.0509 -0.1776 0.0516  324 GLU C C   
5210 O O   . GLU C 79  ? 0.5384 0.4889 0.4567 -0.0518 -0.1793 0.0513  324 GLU C O   
5211 C CB  . GLU C 79  ? 0.5388 0.4697 0.4634 -0.0550 -0.1895 0.0666  324 GLU C CB  
5212 C CG  . GLU C 79  ? 0.5200 0.4506 0.4260 -0.0599 -0.1834 0.0634  324 GLU C CG  
5213 C CD  . GLU C 79  ? 0.4965 0.4284 0.4077 -0.0588 -0.1789 0.0612  324 GLU C CD  
5214 O OE1 . GLU C 79  ? 0.4429 0.3708 0.3707 -0.0555 -0.1832 0.0661  324 GLU C OE1 
5215 O OE2 . GLU C 79  ? 0.5343 0.4719 0.4339 -0.0610 -0.1705 0.0543  324 GLU C OE2 
5222 N N   . GLY C 80  ? 0.5049 0.4606 0.4250 -0.0504 -0.1691 0.0446  325 GLY C N   
5223 C CA  . GLY C 80  ? 0.4585 0.4232 0.3674 -0.0504 -0.1610 0.0365  325 GLY C CA  
5224 C C   . GLY C 80  ? 0.4468 0.4200 0.3659 -0.0453 -0.1578 0.0309  325 GLY C C   
5225 O O   . GLY C 80  ? 0.4391 0.4210 0.3513 -0.0442 -0.1498 0.0233  325 GLY C O   
5229 N N   . THR C 81  ? 0.4701 0.4413 0.4058 -0.0420 -0.1635 0.0343  326 THR C N   
5230 C CA  . THR C 81  ? 0.4848 0.4630 0.4310 -0.0374 -0.1606 0.0295  326 THR C CA  
5231 C C   . THR C 81  ? 0.4505 0.4302 0.4128 -0.0334 -0.1585 0.0283  326 THR C C   
5232 O O   . THR C 81  ? 0.4265 0.4008 0.4035 -0.0317 -0.1641 0.0340  326 THR C O   
5233 C CB  . THR C 81  ? 0.5397 0.5154 0.4931 -0.0365 -0.1675 0.0335  326 THR C CB  
5234 O OG1 . THR C 81  ? 0.5768 0.5519 0.5155 -0.0401 -0.1691 0.0341  326 THR C OG1 
5235 C CG2 . THR C 81  ? 0.5164 0.4986 0.4805 -0.0321 -0.1645 0.0287  326 THR C CG2 
5243 N N   . TRP C 82  ? 0.4231 0.4108 0.3837 -0.0315 -0.1501 0.0209  327 TRP C N   
5244 C CA  . TRP C 82  ? 0.3767 0.3664 0.3514 -0.0279 -0.1471 0.0190  327 TRP C CA  
5245 C C   . TRP C 82  ? 0.3311 0.3250 0.3212 -0.0229 -0.1460 0.0165  327 TRP C C   
5246 O O   . TRP C 82  ? 0.3109 0.3104 0.2957 -0.0220 -0.1425 0.0119  327 TRP C O   
5247 C CB  . TRP C 82  ? 0.3601 0.3562 0.3244 -0.0288 -0.1382 0.0121  327 TRP C CB  
5248 C CG  . TRP C 82  ? 0.3393 0.3302 0.2913 -0.0339 -0.1393 0.0152  327 TRP C CG  
5249 C CD1 . TRP C 82  ? 0.3482 0.3379 0.2816 -0.0384 -0.1382 0.0152  327 TRP C CD1 
5250 C CD2 . TRP C 82  ? 0.3034 0.2891 0.2612 -0.0351 -0.1414 0.0188  327 TRP C CD2 
5251 N NE1 . TRP C 82  ? 0.3552 0.3388 0.2809 -0.0428 -0.1392 0.0186  327 TRP C NE1 
5252 C CE2 . TRP C 82  ? 0.3411 0.3219 0.2811 -0.0411 -0.1417 0.0211  327 TRP C CE2 
5253 C CE3 . TRP C 82  ? 0.2792 0.2644 0.2565 -0.0315 -0.1428 0.0201  327 TRP C CE3 
5254 C CZ2 . TRP C 82  ? 0.3487 0.3234 0.2880 -0.0443 -0.1436 0.0250  327 TRP C CZ2 
5255 C CZ3 . TRP C 82  ? 0.2843 0.2641 0.2629 -0.0341 -0.1448 0.0239  327 TRP C CZ3 
5256 C CH2 . TRP C 82  ? 0.3064 0.2806 0.2652 -0.0406 -0.1447 0.0264  327 TRP C CH2 
5267 N N   . GLN C 83  ? 0.3426 0.3339 0.3522 -0.0194 -0.1484 0.0195  328 GLN C N   
5268 C CA  . GLN C 83  ? 0.3080 0.3017 0.3336 -0.0147 -0.1476 0.0181  328 GLN C CA  
5269 C C   . GLN C 83  ? 0.2487 0.2447 0.2914 -0.0104 -0.1431 0.0161  328 GLN C C   
5270 O O   . GLN C 83  ? 0.2212 0.2134 0.2708 -0.0105 -0.1448 0.0198  328 GLN C O   
5271 C CB  . GLN C 83  ? 0.3774 0.3646 0.4114 -0.0149 -0.1557 0.0250  328 GLN C CB  
5272 C CG  . GLN C 83  ? 0.4660 0.4554 0.5132 -0.0112 -0.1550 0.0234  328 GLN C CG  
5273 C CD  . GLN C 83  ? 0.5520 0.5356 0.6079 -0.0116 -0.1628 0.0300  328 GLN C CD  
5274 O OE1 . GLN C 83  ? 0.6025 0.5802 0.6620 -0.0127 -0.1677 0.0360  328 GLN C OE1 
5275 N NE2 . GLN C 83  ? 0.5520 0.5374 0.6111 -0.0107 -0.1637 0.0287  328 GLN C NE2 
5284 N N   . TRP C 84  ? 0.2508 0.2529 0.3000 -0.0066 -0.1369 0.0103  329 TRP C N   
5285 C CA  . TRP C 84  ? 0.2668 0.2714 0.3335 -0.0020 -0.1315 0.0079  329 TRP C CA  
5286 C C   . TRP C 84  ? 0.2815 0.2807 0.3673 0.0006  -0.1349 0.0131  329 TRP C C   
5287 O O   . TRP C 84  ? 0.3128 0.3084 0.3986 -0.0006 -0.1405 0.0167  329 TRP C O   
5288 C CB  . TRP C 84  ? 0.2482 0.2603 0.3148 0.0011  -0.1235 0.0003  329 TRP C CB  
5289 C CG  . TRP C 84  ? 0.2498 0.2682 0.2987 -0.0010 -0.1185 -0.0056 329 TRP C CG  
5290 C CD1 . TRP C 84  ? 0.2409 0.2624 0.2729 -0.0035 -0.1173 -0.0084 329 TRP C CD1 
5291 C CD2 . TRP C 84  ? 0.2253 0.2482 0.2714 -0.0009 -0.1129 -0.0097 329 TRP C CD2 
5292 N NE1 . TRP C 84  ? 0.2094 0.2370 0.2281 -0.0049 -0.1106 -0.0139 329 TRP C NE1 
5293 C CE2 . TRP C 84  ? 0.2174 0.2457 0.2436 -0.0036 -0.1082 -0.0150 329 TRP C CE2 
5294 C CE3 . TRP C 84  ? 0.2191 0.2422 0.2778 0.0009  -0.1109 -0.0096 329 TRP C CE3 
5295 C CZ2 . TRP C 84  ? 0.2279 0.2616 0.2456 -0.0045 -0.1017 -0.0202 329 TRP C CZ2 
5296 C CZ3 . TRP C 84  ? 0.2154 0.2444 0.2664 0.0000  -0.1049 -0.0153 329 TRP C CZ3 
5297 C CH2 . TRP C 84  ? 0.2403 0.2743 0.2702 -0.0027 -0.1005 -0.0207 329 TRP C CH2 
5308 N N   . VAL C 85  ? 0.2574 0.2567 0.3593 0.0039  -0.1306 0.0129  330 VAL C N   
5309 C CA  . VAL C 85  ? 0.2815 0.2755 0.4002 0.0057  -0.1327 0.0177  330 VAL C CA  
5310 C C   . VAL C 85  ? 0.3125 0.3075 0.4380 0.0078  -0.1309 0.0155  330 VAL C C   
5311 O O   . VAL C 85  ? 0.3389 0.3299 0.4750 0.0081  -0.1340 0.0194  330 VAL C O   
5312 C CB  . VAL C 85  ? 0.2723 0.2659 0.4059 0.0084  -0.1272 0.0180  330 VAL C CB  
5313 C CG1 . VAL C 85  ? 0.2849 0.2755 0.4139 0.0060  -0.1309 0.0221  330 VAL C CG1 
5314 C CG2 . VAL C 85  ? 0.2443 0.2447 0.3816 0.0117  -0.1166 0.0104  330 VAL C CG2 
5324 N N   . ASP C 86  ? 0.3274 0.3216 0.4644 -0.0117 -0.1187 -0.0207 331 ASP C N   
5325 C CA  . ASP C 86  ? 0.3314 0.3207 0.4774 -0.0104 -0.1214 -0.0281 331 ASP C CA  
5326 C C   . ASP C 86  ? 0.3228 0.3097 0.4583 -0.0093 -0.1283 -0.0365 331 ASP C C   
5327 O O   . ASP C 86  ? 0.3481 0.3312 0.4897 -0.0079 -0.1305 -0.0433 331 ASP C O   
5328 C CB  . ASP C 86  ? 0.3389 0.3289 0.4980 -0.0089 -0.1143 -0.0305 331 ASP C CB  
5329 C CG  . ASP C 86  ? 0.3221 0.3150 0.4734 -0.0073 -0.1092 -0.0344 331 ASP C CG  
5330 O OD1 . ASP C 86  ? 0.3252 0.3192 0.4588 -0.0068 -0.1091 -0.0340 331 ASP C OD1 
5331 O OD2 . ASP C 86  ? 0.3050 0.2983 0.4662 -0.0060 -0.1038 -0.0374 331 ASP C OD2 
5336 N N   . GLY C 87  ? 0.2774 0.2654 0.3940 -0.0091 -0.1289 -0.0353 332 GLY C N   
5337 C CA  . GLY C 87  ? 0.3177 0.3029 0.4210 -0.0076 -0.1335 -0.0425 332 GLY C CA  
5338 C C   . GLY C 87  ? 0.3628 0.3493 0.4574 -0.0052 -0.1272 -0.0474 332 GLY C C   
5339 O O   . GLY C 87  ? 0.4391 0.4239 0.5196 -0.0040 -0.1302 -0.0525 332 GLY C O   
5343 N N   . SER C 88  ? 0.3019 0.2913 0.4044 -0.0044 -0.1186 -0.0461 333 SER C N   
5344 C CA  . SER C 88  ? 0.3030 0.2934 0.3983 -0.0020 -0.1125 -0.0511 333 SER C CA  
5345 C C   . SER C 88  ? 0.2953 0.2888 0.3710 -0.0018 -0.1091 -0.0476 333 SER C C   
5346 O O   . SER C 88  ? 0.3020 0.2983 0.3740 -0.0034 -0.1076 -0.0397 333 SER C O   
5347 C CB  . SER C 88  ? 0.3357 0.3282 0.4452 -0.0013 -0.1044 -0.0504 333 SER C CB  
5348 O OG  . SER C 88  ? 0.3516 0.3481 0.4652 -0.0027 -0.0991 -0.0415 333 SER C OG  
5354 N N   . PRO C 89  ? 0.3044 0.2973 0.3672 0.0002  -0.1077 -0.0535 334 PRO C N   
5355 C CA  . PRO C 89  ? 0.2984 0.2942 0.3424 0.0005  -0.1041 -0.0506 334 PRO C CA  
5356 C C   . PRO C 89  ? 0.2683 0.2687 0.3135 0.0011  -0.0937 -0.0467 334 PRO C C   
5357 O O   . PRO C 89  ? 0.2713 0.2723 0.3290 0.0022  -0.0888 -0.0489 334 PRO C O   
5358 C CB  . PRO C 89  ? 0.3597 0.3528 0.3915 0.0025  -0.1068 -0.0593 334 PRO C CB  
5359 C CG  . PRO C 89  ? 0.3886 0.3795 0.4347 0.0039  -0.1059 -0.0661 334 PRO C CG  
5360 C CD  . PRO C 89  ? 0.3567 0.3463 0.4213 0.0022  -0.1096 -0.0633 334 PRO C CD  
5368 N N   . LEU C 90  ? 0.2801 0.2839 0.3120 0.0005  -0.0904 -0.0406 335 LEU C N   
5369 C CA  . LEU C 90  ? 0.2941 0.3025 0.3241 0.0013  -0.0804 -0.0372 335 LEU C CA  
5370 C C   . LEU C 90  ? 0.3234 0.3314 0.3450 0.0038  -0.0768 -0.0447 335 LEU C C   
5371 O O   . LEU C 90  ? 0.3702 0.3766 0.3762 0.0045  -0.0802 -0.0485 335 LEU C O   
5372 C CB  . LEU C 90  ? 0.2786 0.2905 0.2958 -0.0001 -0.0783 -0.0293 335 LEU C CB  
5373 C CG  . LEU C 90  ? 0.2665 0.2833 0.2814 0.0005  -0.0681 -0.0248 335 LEU C CG  
5374 C CD1 . LEU C 90  ? 0.2295 0.2482 0.2638 -0.0001 -0.0635 -0.0212 335 LEU C CD1 
5375 C CD2 . LEU C 90  ? 0.2709 0.2908 0.2714 -0.0009 -0.0668 -0.0174 335 LEU C CD2 
5387 N N   . LEU C 91  ? 0.2894 0.2986 0.3211 0.0052  -0.0702 -0.0470 336 LEU C N   
5388 C CA  . LEU C 91  ? 0.2861 0.2947 0.3117 0.0077  -0.0668 -0.0545 336 LEU C CA  
5389 C C   . LEU C 91  ? 0.2843 0.2972 0.2960 0.0085  -0.0591 -0.0516 336 LEU C C   
5390 O O   . LEU C 91  ? 0.2636 0.2802 0.2749 0.0073  -0.0546 -0.0438 336 LEU C O   
5391 C CB  . LEU C 91  ? 0.3005 0.3085 0.3435 0.0089  -0.0632 -0.0586 336 LEU C CB  
5392 C CG  . LEU C 91  ? 0.3513 0.3550 0.4091 0.0084  -0.0702 -0.0623 336 LEU C CG  
5393 C CD1 . LEU C 91  ? 0.3427 0.3465 0.4181 0.0095  -0.0653 -0.0650 336 LEU C CD1 
5394 C CD2 . LEU C 91  ? 0.4165 0.4158 0.4660 0.0092  -0.0778 -0.0702 336 LEU C CD2 
5406 N N   . PRO C 92  ? 0.3101 0.3223 0.3098 0.0104  -0.0575 -0.0578 337 PRO C N   
5407 C CA  . PRO C 92  ? 0.3160 0.3320 0.3019 0.0112  -0.0503 -0.0554 337 PRO C CA  
5408 C C   . PRO C 92  ? 0.2946 0.3147 0.2898 0.0117  -0.0408 -0.0518 337 PRO C C   
5409 O O   . PRO C 92  ? 0.2922 0.3163 0.2785 0.0116  -0.0348 -0.0469 337 PRO C O   
5410 C CB  . PRO C 92  ? 0.3772 0.3909 0.3518 0.0134  -0.0508 -0.0643 337 PRO C CB  
5411 C CG  . PRO C 92  ? 0.4015 0.4102 0.3796 0.0133  -0.0600 -0.0701 337 PRO C CG  
5412 C CD  . PRO C 92  ? 0.3617 0.3694 0.3588 0.0119  -0.0629 -0.0672 337 PRO C CD  
5420 N N   . SER C 93  ? 0.2889 0.3082 0.3018 0.0123  -0.0392 -0.0542 338 SER C N   
5421 C CA  . SER C 93  ? 0.2761 0.2990 0.2998 0.0127  -0.0305 -0.0508 338 SER C CA  
5422 C C   . SER C 93  ? 0.2398 0.2661 0.2684 0.0106  -0.0284 -0.0409 338 SER C C   
5423 O O   . SER C 93  ? 0.2328 0.2626 0.2689 0.0107  -0.0208 -0.0370 338 SER C O   
5424 C CB  . SER C 93  ? 0.2864 0.3070 0.3285 0.0136  -0.0308 -0.0557 338 SER C CB  
5425 O OG  . SER C 93  ? 0.2889 0.3062 0.3407 0.0120  -0.0387 -0.0554 338 SER C OG  
5431 N N   . PHE C 94  ? 0.2369 0.2622 0.2617 0.0085  -0.0348 -0.0367 339 PHE C N   
5432 C CA  . PHE C 94  ? 0.2352 0.2635 0.2639 0.0063  -0.0333 -0.0271 339 PHE C CA  
5433 C C   . PHE C 94  ? 0.2550 0.2861 0.2657 0.0056  -0.0319 -0.0218 339 PHE C C   
5434 O O   . PHE C 94  ? 0.2628 0.2970 0.2751 0.0039  -0.0295 -0.0136 339 PHE C O   
5435 C CB  . PHE C 94  ? 0.2282 0.2535 0.2675 0.0044  -0.0412 -0.0254 339 PHE C CB  
5436 C CG  . PHE C 94  ? 0.2765 0.3002 0.3363 0.0046  -0.0411 -0.0278 339 PHE C CG  
5437 C CD1 . PHE C 94  ? 0.3264 0.3465 0.3912 0.0063  -0.0436 -0.0366 339 PHE C CD1 
5438 C CD2 . PHE C 94  ? 0.2699 0.2957 0.3440 0.0031  -0.0385 -0.0212 339 PHE C CD2 
5439 C CE1 . PHE C 94  ? 0.3278 0.3462 0.4114 0.0065  -0.0435 -0.0388 339 PHE C CE1 
5440 C CE2 . PHE C 94  ? 0.2711 0.2953 0.3640 0.0032  -0.0384 -0.0233 339 PHE C CE2 
5441 C CZ  . PHE C 94  ? 0.2995 0.3200 0.3972 0.0049  -0.0408 -0.0322 339 PHE C CZ  
5451 N N   . LYS C 95  ? 0.2491 0.2793 0.2429 0.0068  -0.0329 -0.0263 340 LYS C N   
5452 C CA  . LYS C 95  ? 0.2674 0.2999 0.2435 0.0060  -0.0319 -0.0216 340 LYS C CA  
5453 C C   . LYS C 95  ? 0.2492 0.2871 0.2243 0.0060  -0.0224 -0.0154 340 LYS C C   
5454 O O   . LYS C 95  ? 0.2491 0.2896 0.2154 0.0046  -0.0214 -0.0085 340 LYS C O   
5455 C CB  . LYS C 95  ? 0.3811 0.4118 0.3399 0.0076  -0.0338 -0.0281 340 LYS C CB  
5456 C CG  . LYS C 95  ? 0.5887 0.6142 0.5454 0.0074  -0.0437 -0.0337 340 LYS C CG  
5457 C CD  . LYS C 95  ? 0.8622 0.8861 0.8002 0.0088  -0.0455 -0.0396 340 LYS C CD  
5458 C CE  . LYS C 95  ? 1.1447 1.1684 1.0833 0.0114  -0.0403 -0.0470 340 LYS C CE  
5459 N NZ  . LYS C 95  ? 1.3646 1.3860 1.2866 0.0127  -0.0431 -0.0537 340 LYS C NZ  
5473 N N   . GLN C 96  ? 0.2422 0.2817 0.2266 0.0075  -0.0155 -0.0175 341 GLN C N   
5474 C CA  . GLN C 96  ? 0.2456 0.2902 0.2300 0.0076  -0.0063 -0.0120 341 GLN C CA  
5475 C C   . GLN C 96  ? 0.2232 0.2705 0.2153 0.0053  -0.0053 -0.0025 341 GLN C C   
5476 O O   . GLN C 96  ? 0.2362 0.2879 0.2244 0.0049  0.0013  0.0033  341 GLN C O   
5477 C CB  . GLN C 96  ? 0.2670 0.3124 0.2634 0.0095  -0.0000 -0.0161 341 GLN C CB  
5478 C CG  . GLN C 96  ? 0.2531 0.2959 0.2697 0.0091  -0.0031 -0.0177 341 GLN C CG  
5479 C CD  . GLN C 96  ? 0.2410 0.2848 0.2698 0.0109  0.0035  -0.0211 341 GLN C CD  
5480 O OE1 . GLN C 96  ? 0.2161 0.2640 0.2459 0.0113  0.0116  -0.0173 341 GLN C OE1 
5481 N NE2 . GLN C 96  ? 0.2656 0.3056 0.3038 0.0120  -0.0000 -0.0282 341 GLN C NE2 
5490 N N   . TYR C 97  ? 0.2123 0.2572 0.2157 0.0037  -0.0115 -0.0009 342 TYR C N   
5491 C CA  . TYR C 97  ? 0.1992 0.2466 0.2130 0.0016  -0.0100 0.0076  342 TYR C CA  
5492 C C   . TYR C 97  ? 0.2178 0.2667 0.2199 -0.0004 -0.0125 0.0146  342 TYR C C   
5493 O O   . TYR C 97  ? 0.2117 0.2636 0.2191 -0.0020 -0.0096 0.0224  342 TYR C O   
5494 C CB  . TYR C 97  ? 0.1862 0.2306 0.2183 0.0008  -0.0150 0.0065  342 TYR C CB  
5495 C CG  . TYR C 97  ? 0.1897 0.2328 0.2347 0.0027  -0.0119 0.0001  342 TYR C CG  
5496 C CD1 . TYR C 97  ? 0.1888 0.2355 0.2382 0.0038  -0.0028 0.0013  342 TYR C CD1 
5497 C CD2 . TYR C 97  ? 0.1949 0.2333 0.2469 0.0034  -0.0180 -0.0070 342 TYR C CD2 
5498 C CE1 . TYR C 97  ? 0.1899 0.2353 0.2509 0.0056  -0.0000 -0.0047 342 TYR C CE1 
5499 C CE2 . TYR C 97  ? 0.1868 0.2240 0.2503 0.0051  -0.0152 -0.0129 342 TYR C CE2 
5500 C CZ  . TYR C 97  ? 0.1813 0.2220 0.2490 0.0062  -0.0062 -0.0117 342 TYR C CZ  
5501 O OH  . TYR C 97  ? 0.1704 0.2099 0.2497 0.0080  -0.0035 -0.0174 342 TYR C OH  
5511 N N   . TRP C 98  ? 0.2165 0.2639 0.1615 -0.0129 -0.0612 -0.0136 343 TRP C N   
5512 C CA  . TRP C 98  ? 0.2375 0.2788 0.1786 -0.0161 -0.0609 -0.0080 343 TRP C CA  
5513 C C   . TRP C 98  ? 0.2563 0.3015 0.1871 -0.0179 -0.0488 -0.0121 343 TRP C C   
5514 O O   . TRP C 98  ? 0.2585 0.3043 0.1728 -0.0188 -0.0443 -0.0172 343 TRP C O   
5515 C CB  . TRP C 98  ? 0.2566 0.2846 0.1800 -0.0198 -0.0713 -0.0024 343 TRP C CB  
5516 C CG  . TRP C 98  ? 0.2771 0.2999 0.2098 -0.0192 -0.0847 0.0038  343 TRP C CG  
5517 C CD1 . TRP C 98  ? 0.2902 0.3076 0.2132 -0.0199 -0.0937 0.0037  343 TRP C CD1 
5518 C CD2 . TRP C 98  ? 0.2730 0.2951 0.2263 -0.0179 -0.0903 0.0112  343 TRP C CD2 
5519 N NE1 . TRP C 98  ? 0.2736 0.2876 0.2098 -0.0195 -0.1053 0.0108  343 TRP C NE1 
5520 C CE2 . TRP C 98  ? 0.2669 0.2840 0.2227 -0.0180 -0.1033 0.0156  343 TRP C CE2 
5521 C CE3 . TRP C 98  ? 0.2670 0.2921 0.2371 -0.0169 -0.0853 0.0146  343 TRP C CE3 
5522 C CZ2 . TRP C 98  ? 0.2764 0.2920 0.2520 -0.0168 -0.1116 0.0237  343 TRP C CZ2 
5523 C CZ3 . TRP C 98  ? 0.2461 0.2689 0.2357 -0.0156 -0.0928 0.0223  343 TRP C CZ3 
5524 C CH2 . TRP C 98  ? 0.2651 0.2837 0.2580 -0.0154 -0.1058 0.0270  343 TRP C CH2 
5535 N N   . ASN C 99  ? 0.2746 0.3219 0.2148 -0.0187 -0.0435 -0.0096 344 ASN C N   
5536 C CA  . ASN C 99  ? 0.2512 0.3013 0.1814 -0.0211 -0.0327 -0.0125 344 ASN C CA  
5537 C C   . ASN C 99  ? 0.2685 0.3083 0.1733 -0.0250 -0.0348 -0.0110 344 ASN C C   
5538 O O   . ASN C 99  ? 0.2501 0.2794 0.1468 -0.0266 -0.0449 -0.0060 344 ASN C O   
5539 C CB  . ASN C 99  ? 0.2419 0.2935 0.1851 -0.0221 -0.0276 -0.0092 344 ASN C CB  
5540 C CG  . ASN C 99  ? 0.2468 0.3089 0.2124 -0.0192 -0.0223 -0.0119 344 ASN C CG  
5541 O OD1 . ASN C 99  ? 0.2412 0.3126 0.2100 -0.0172 -0.0182 -0.0180 344 ASN C OD1 
5542 N ND2 . ASN C 99  ? 0.2601 0.3205 0.2414 -0.0191 -0.0222 -0.0074 344 ASN C ND2 
5549 N N   . ARG C 100 ? 0.3086 0.3515 0.2012 -0.0270 -0.0250 -0.0151 345 ARG C N   
5550 C CA  . ARG C 100 ? 0.3775 0.4105 0.2451 -0.0310 -0.0252 -0.0145 345 ARG C CA  
5551 C C   . ARG C 100 ? 0.3494 0.3712 0.2134 -0.0340 -0.0320 -0.0064 345 ARG C C   
5552 O O   . ARG C 100 ? 0.3258 0.3495 0.2027 -0.0340 -0.0295 -0.0031 345 ARG C O   
5553 C CB  . ARG C 100 ? 0.4848 0.5239 0.3438 -0.0326 -0.0127 -0.0194 345 ARG C CB  
5554 C CG  . ARG C 100 ? 0.6726 0.7023 0.5053 -0.0365 -0.0115 -0.0200 345 ARG C CG  
5555 C CD  . ARG C 100 ? 0.8379 0.8749 0.6639 -0.0377 0.0015  -0.0251 345 ARG C CD  
5556 N NE  . ARG C 100 ? 0.9646 0.9920 0.7665 -0.0408 0.0033  -0.0261 345 ARG C NE  
5557 C CZ  . ARG C 100 ? 1.0210 1.0494 0.8244 -0.0385 0.0130  -0.0282 345 ARG C CZ  
5558 N NH1 . ARG C 100 ? 1.0590 1.0772 0.8483 -0.0385 0.0138  -0.0280 345 ARG C NH1 
5559 N NH2 . ARG C 100 ? 1.0148 1.0542 0.8344 -0.0364 0.0211  -0.0300 345 ARG C NH2 
5573 N N   . GLY C 101 ? 0.3615 0.3714 0.2083 -0.0366 -0.0409 -0.0031 346 GLY C N   
5574 C CA  . GLY C 101 ? 0.3924 0.3911 0.2344 -0.0397 -0.0487 0.0051  346 GLY C CA  
5575 C C   . GLY C 101 ? 0.3916 0.3879 0.2507 -0.0378 -0.0602 0.0119  346 GLY C C   
5576 O O   . GLY C 101 ? 0.4067 0.3932 0.2619 -0.0404 -0.0683 0.0197  346 GLY C O   
5580 N N   . GLU C 102 ? 0.3484 0.3533 0.2266 -0.0335 -0.0611 0.0096  347 GLU C N   
5581 C CA  . GLU C 102 ? 0.3339 0.3374 0.2308 -0.0314 -0.0713 0.0160  347 GLU C CA  
5582 C C   . GLU C 102 ? 0.3374 0.3368 0.2280 -0.0313 -0.0820 0.0160  347 GLU C C   
5583 O O   . GLU C 102 ? 0.3131 0.3138 0.1904 -0.0314 -0.0792 0.0094  347 GLU C O   
5584 C CB  . GLU C 102 ? 0.3050 0.3200 0.2287 -0.0268 -0.0654 0.0137  347 GLU C CB  
5585 C CG  . GLU C 102 ? 0.3095 0.3298 0.2383 -0.0273 -0.0530 0.0117  347 GLU C CG  
5586 C CD  . GLU C 102 ? 0.3161 0.3285 0.2465 -0.0297 -0.0545 0.0197  347 GLU C CD  
5587 O OE1 . GLU C 102 ? 0.3235 0.3277 0.2561 -0.0302 -0.0656 0.0275  347 GLU C OE1 
5588 O OE2 . GLU C 102 ? 0.2981 0.3127 0.2282 -0.0311 -0.0445 0.0183  347 GLU C OE2 
5595 N N   . PRO C 103 ? 0.3676 0.3620 0.2677 -0.0313 -0.0943 0.0237  348 PRO C N   
5596 C CA  . PRO C 103 ? 0.3655 0.3568 0.2810 -0.0312 -0.0987 0.0328  348 PRO C CA  
5597 C C   . PRO C 103 ? 0.3961 0.3758 0.2926 -0.0364 -0.1027 0.0390  348 PRO C C   
5598 O O   . PRO C 103 ? 0.4151 0.3864 0.2908 -0.0401 -0.1099 0.0399  348 PRO C O   
5599 C CB  . PRO C 103 ? 0.3777 0.3684 0.3084 -0.0294 -0.1112 0.0380  348 PRO C CB  
5600 C CG  . PRO C 103 ? 0.4143 0.4011 0.3261 -0.0313 -0.1171 0.0343  348 PRO C CG  
5601 C CD  . PRO C 103 ? 0.4101 0.4016 0.3073 -0.0312 -0.1048 0.0240  348 PRO C CD  
5609 N N   . ASN C 104 ? 0.4039 0.3827 0.3070 -0.0368 -0.0977 0.0431  349 ASN C N   
5610 C CA  . ASN C 104 ? 0.4015 0.3695 0.2864 -0.0417 -0.1003 0.0487  349 ASN C CA  
5611 C C   . ASN C 104 ? 0.3912 0.3532 0.2889 -0.0422 -0.1095 0.0603  349 ASN C C   
5612 O O   . ASN C 104 ? 0.4360 0.3884 0.3191 -0.0464 -0.1130 0.0660  349 ASN C O   
5613 C CB  . ASN C 104 ? 0.3987 0.3692 0.2760 -0.0428 -0.0863 0.0440  349 ASN C CB  
5614 C CG  . ASN C 104 ? 0.3588 0.3377 0.2609 -0.0392 -0.0774 0.0437  349 ASN C CG  
5615 O OD1 . ASN C 104 ? 0.3333 0.3151 0.2586 -0.0358 -0.0816 0.0478  349 ASN C OD1 
5616 N ND2 . ASN C 104 ? 0.3466 0.3286 0.2434 -0.0402 -0.0651 0.0392  349 ASN C ND2 
5623 N N   . ASN C 105 ? 0.3443 0.3113 0.2690 -0.0381 -0.1132 0.0642  350 ASN C N   
5624 C CA  . ASN C 105 ? 0.3759 0.3376 0.3157 -0.0381 -0.1231 0.0761  350 ASN C CA  
5625 C C   . ASN C 105 ? 0.4422 0.3986 0.3808 -0.0399 -0.1181 0.0815  350 ASN C C   
5626 O O   . ASN C 105 ? 0.4800 0.4282 0.4182 -0.0422 -0.1275 0.0918  350 ASN C O   
5627 C CB  . ASN C 105 ? 0.3789 0.3321 0.3058 -0.0418 -0.1393 0.0827  350 ASN C CB  
5628 C CG  . ASN C 105 ? 0.4224 0.3736 0.3710 -0.0405 -0.1509 0.0944  350 ASN C CG  
5629 O OD1 . ASN C 105 ? 0.3897 0.3483 0.3656 -0.0356 -0.1497 0.0953  350 ASN C OD1 
5630 N ND2 . ASN C 105 ? 0.4972 0.4382 0.4339 -0.0452 -0.1627 0.1040  350 ASN C ND2 
5637 N N   . VAL C 106 ? 0.4576 0.4185 0.3953 -0.0392 -0.1037 0.0749  351 VAL C N   
5638 C CA  . VAL C 106 ? 0.4846 0.4395 0.4170 -0.0417 -0.0984 0.0792  351 VAL C CA  
5639 C C   . VAL C 106 ? 0.4892 0.4435 0.4488 -0.0389 -0.0999 0.0882  351 VAL C C   
5640 O O   . VAL C 106 ? 0.4445 0.4063 0.4269 -0.0348 -0.0931 0.0857  351 VAL C O   
5641 C CB  . VAL C 106 ? 0.5112 0.4711 0.4345 -0.0423 -0.0827 0.0698  351 VAL C CB  
5642 C CG1 . VAL C 106 ? 0.4946 0.4659 0.4389 -0.0380 -0.0727 0.0633  351 VAL C CG1 
5643 C CG2 . VAL C 106 ? 0.5410 0.4940 0.4582 -0.0452 -0.0778 0.0745  351 VAL C CG2 
5653 N N   . GLY C 107 ? 0.5610 0.5058 0.5184 -0.0413 -0.1087 0.0990  352 GLY C N   
5654 C CA  . GLY C 107 ? 0.5923 0.5358 0.5762 -0.0385 -0.1116 0.1090  352 GLY C CA  
5655 C C   . GLY C 107 ? 0.6150 0.5623 0.6202 -0.0350 -0.1218 0.1133  352 GLY C C   
5656 O O   . GLY C 107 ? 0.6723 0.6216 0.7050 -0.0313 -0.1208 0.1188  352 GLY C O   
5660 N N   . GLU C 108 ? 0.5582 0.5061 0.5513 -0.0363 -0.1313 0.1108  353 GLU C N   
5661 C CA  . GLU C 108 ? 0.5336 0.4855 0.5443 -0.0336 -0.1414 0.1139  353 GLU C CA  
5662 C C   . GLU C 108 ? 0.4479 0.4106 0.4802 -0.0282 -0.1317 0.1061  353 GLU C C   
5663 O O   . GLU C 108 ? 0.4133 0.3786 0.4706 -0.0246 -0.1259 0.1092  353 GLU C O   
5664 C CB  . GLU C 108 ? 0.6140 0.5610 0.6430 -0.0332 -0.1529 0.1283  353 GLU C CB  
5665 C CG  . GLU C 108 ? 0.7176 0.6633 0.7467 -0.0345 -0.1698 0.1341  353 GLU C CG  
5666 C CD  . GLU C 108 ? 0.8192 0.7579 0.8139 -0.0408 -0.1777 0.1321  353 GLU C CD  
5667 O OE1 . GLU C 108 ? 0.8696 0.8005 0.8441 -0.0450 -0.1765 0.1342  353 GLU C OE1 
5668 O OE2 . GLU C 108 ? 0.8360 0.7765 0.8235 -0.0416 -0.1846 0.1283  353 GLU C OE2 
5675 N N   . GLU C 109 ? 0.4151 0.3835 0.4375 -0.0278 -0.1298 0.0962  354 GLU C N   
5676 C CA  . GLU C 109 ? 0.3522 0.3309 0.3909 -0.0233 -0.1206 0.0877  354 GLU C CA  
5677 C C   . GLU C 109 ? 0.3413 0.3234 0.3826 -0.0220 -0.1303 0.0860  354 GLU C C   
5678 O O   . GLU C 109 ? 0.3361 0.3164 0.3549 -0.0247 -0.1347 0.0816  354 GLU C O   
5679 C CB  . GLU C 109 ? 0.3322 0.3154 0.3556 -0.0241 -0.1064 0.0761  354 GLU C CB  
5680 C CG  . GLU C 109 ? 0.3558 0.3352 0.3740 -0.0261 -0.0968 0.0775  354 GLU C CG  
5681 C CD  . GLU C 109 ? 0.3472 0.3317 0.3505 -0.0274 -0.0831 0.0665  354 GLU C CD  
5682 O OE1 . GLU C 109 ? 0.3347 0.3196 0.3161 -0.0295 -0.0841 0.0606  354 GLU C OE1 
5683 O OE2 . GLU C 109 ? 0.3293 0.3172 0.3429 -0.0265 -0.0713 0.0640  354 GLU C OE2 
5690 N N   . ASP C 110 ? 0.3249 0.3115 0.3934 -0.0179 -0.1332 0.0893  355 ASP C N   
5691 C CA  . ASP C 110 ? 0.3419 0.3308 0.4153 -0.0169 -0.1443 0.0899  355 ASP C CA  
5692 C C   . ASP C 110 ? 0.2966 0.2952 0.3880 -0.0122 -0.1378 0.0823  355 ASP C C   
5693 O O   . ASP C 110 ? 0.2781 0.2791 0.3777 -0.0108 -0.1466 0.0832  355 ASP C O   
5694 C CB  . ASP C 110 ? 0.3905 0.3746 0.4797 -0.0171 -0.1579 0.1033  355 ASP C CB  
5695 C CG  . ASP C 110 ? 0.4384 0.4124 0.5076 -0.0224 -0.1669 0.1115  355 ASP C CG  
5696 O OD1 . ASP C 110 ? 0.4009 0.3709 0.4408 -0.0264 -0.1651 0.1059  355 ASP C OD1 
5697 O OD2 . ASP C 110 ? 0.4870 0.4568 0.5694 -0.0229 -0.1736 0.1221  355 ASP C OD2 
5702 N N   . CYS C 111 ? 0.2739 0.2781 0.3707 -0.0102 -0.1231 0.0749  356 CYS C N   
5703 C CA  . CYS C 111 ? 0.2355 0.2487 0.3499 -0.0061 -0.1160 0.0679  356 CYS C CA  
5704 C C   . CYS C 111 ? 0.2180 0.2369 0.3170 -0.0066 -0.1039 0.0561  356 CYS C C   
5705 O O   . CYS C 111 ? 0.2306 0.2475 0.3164 -0.0090 -0.0960 0.0541  356 CYS C O   
5706 C CB  . CYS C 111 ? 0.2559 0.2702 0.3991 -0.0030 -0.1098 0.0724  356 CYS C CB  
5707 S SG  . CYS C 111 ? 0.3534 0.3634 0.5217 -0.0011 -0.1239 0.0864  356 CYS C SG  
5712 N N   . ALA C 112 ? 0.2173 0.2433 0.3184 -0.0044 -0.1026 0.0485  357 ALA C N   
5713 C CA  . ALA C 112 ? 0.2151 0.2471 0.3017 -0.0049 -0.0925 0.0378  357 ALA C CA  
5714 C C   . ALA C 112 ? 0.1880 0.2278 0.2912 -0.0025 -0.0797 0.0323  357 ALA C C   
5715 O O   . ALA C 112 ? 0.1668 0.2093 0.2931 0.0005  -0.0797 0.0338  357 ALA C O   
5716 C CB  . ALA C 112 ? 0.2271 0.2620 0.3029 -0.0043 -0.0980 0.0323  357 ALA C CB  
5722 N N   . GLU C 113 ? 0.1958 0.2392 0.2865 -0.0043 -0.0687 0.0256  358 GLU C N   
5723 C CA  . GLU C 113 ? 0.1982 0.2488 0.3005 -0.0033 -0.0559 0.0199  358 GLU C CA  
5724 C C   . GLU C 113 ? 0.1852 0.2434 0.2724 -0.0042 -0.0487 0.0104  358 GLU C C   
5725 O O   . GLU C 113 ? 0.2043 0.2608 0.2699 -0.0063 -0.0504 0.0086  358 GLU C O   
5726 C CB  . GLU C 113 ? 0.2064 0.2530 0.3121 -0.0055 -0.0477 0.0232  358 GLU C CB  
5727 C CG  . GLU C 113 ? 0.2470 0.2892 0.3290 -0.0094 -0.0465 0.0237  358 GLU C CG  
5728 C CD  . GLU C 113 ? 0.2492 0.2908 0.3303 -0.0120 -0.0346 0.0229  358 GLU C CD  
5729 O OE1 . GLU C 113 ? 0.2481 0.2850 0.3115 -0.0152 -0.0336 0.0243  358 GLU C OE1 
5730 O OE2 . GLU C 113 ? 0.2339 0.2795 0.3309 -0.0112 -0.0259 0.0204  358 GLU C OE2 
5737 N N   . PHE C 114 ? 0.1433 0.2098 0.2423 -0.0028 -0.0404 0.0045  359 PHE C N   
5738 C CA  . PHE C 114 ? 0.1441 0.2186 0.2319 -0.0041 -0.0313 -0.0036 359 PHE C CA  
5739 C C   . PHE C 114 ? 0.1581 0.2314 0.2386 -0.0078 -0.0219 -0.0035 359 PHE C C   
5740 O O   . PHE C 114 ? 0.1596 0.2305 0.2529 -0.0085 -0.0170 -0.0007 359 PHE C O   
5741 C CB  . PHE C 114 ? 0.1258 0.2093 0.2290 -0.0019 -0.0259 -0.0091 359 PHE C CB  
5742 C CG  . PHE C 114 ? 0.1204 0.2054 0.2321 0.0018  -0.0344 -0.0095 359 PHE C CG  
5743 C CD1 . PHE C 114 ? 0.1261 0.2150 0.2256 0.0029  -0.0377 -0.0141 359 PHE C CD1 
5744 C CD2 . PHE C 114 ? 0.1100 0.1923 0.2424 0.0042  -0.0386 -0.0053 359 PHE C CD2 
5745 C CE1 . PHE C 114 ? 0.1257 0.2157 0.2327 0.0061  -0.0453 -0.0147 359 PHE C CE1 
5746 C CE2 . PHE C 114 ? 0.1167 0.2007 0.2576 0.0075  -0.0463 -0.0056 359 PHE C CE2 
5747 C CZ  . PHE C 114 ? 0.1202 0.2078 0.2478 0.0083  -0.0499 -0.0103 359 PHE C CZ  
5757 N N   . SER C 115 ? 0.1702 0.2445 0.2301 -0.0102 -0.0191 -0.0065 360 SER C N   
5758 C CA  . SER C 115 ? 0.1848 0.2577 0.2356 -0.0141 -0.0108 -0.0063 360 SER C CA  
5759 C C   . SER C 115 ? 0.1913 0.2721 0.2271 -0.0158 -0.0037 -0.0133 360 SER C C   
5760 O O   . SER C 115 ? 0.2103 0.2898 0.2291 -0.0162 -0.0073 -0.0145 360 SER C O   
5761 C CB  . SER C 115 ? 0.2329 0.2946 0.2728 -0.0159 -0.0169 0.0006  360 SER C CB  
5762 O OG  . SER C 115 ? 0.2565 0.3170 0.2838 -0.0198 -0.0090 -0.0000 360 SER C OG  
5768 N N   . GLY C 116 ? 0.1955 0.2844 0.2377 -0.0173 0.0065  -0.0177 361 GLY C N   
5769 C CA  . GLY C 116 ? 0.2180 0.3160 0.2488 -0.0189 0.0134  -0.0239 361 GLY C CA  
5770 C C   . GLY C 116 ? 0.2241 0.3285 0.2543 -0.0155 0.0094  -0.0281 361 GLY C C   
5771 O O   . GLY C 116 ? 0.2416 0.3503 0.2866 -0.0129 0.0081  -0.0296 361 GLY C O   
5775 N N   . ASN C 117 ? 0.2050 0.3094 0.2179 -0.0156 0.0078  -0.0299 362 ASN C N   
5776 C CA  . ASN C 117 ? 0.2287 0.3385 0.2392 -0.0126 0.0050  -0.0340 362 ASN C CA  
5777 C C   . ASN C 117 ? 0.1863 0.2879 0.1940 -0.0100 -0.0064 -0.0313 362 ASN C C   
5778 O O   . ASN C 117 ? 0.1736 0.2785 0.1792 -0.0074 -0.0091 -0.0346 362 ASN C O   
5779 C CB  . ASN C 117 ? 0.3155 0.4298 0.3090 -0.0141 0.0106  -0.0379 362 ASN C CB  
5780 C CG  . ASN C 117 ? 0.4251 0.5493 0.4216 -0.0168 0.0214  -0.0408 362 ASN C CG  
5781 O OD1 . ASN C 117 ? 0.4741 0.6066 0.4849 -0.0162 0.0249  -0.0431 362 ASN C OD1 
5782 N ND2 . ASN C 117 ? 0.4654 0.5886 0.4480 -0.0202 0.0267  -0.0407 362 ASN C ND2 
5789 N N   . GLY C 118 ? 0.1643 0.2552 0.1707 -0.0109 -0.0131 -0.0251 363 GLY C N   
5790 C CA  . GLY C 118 ? 0.1438 0.2265 0.1454 -0.0095 -0.0245 -0.0219 363 GLY C CA  
5791 C C   . GLY C 118 ? 0.1521 0.2268 0.1652 -0.0092 -0.0320 -0.0146 363 GLY C C   
5792 O O   . GLY C 118 ? 0.1451 0.2219 0.1752 -0.0089 -0.0282 -0.0128 363 GLY C O   
5796 N N   . TRP C 119 ? 0.1631 0.2284 0.1671 -0.0098 -0.0423 -0.0100 364 TRP C N   
5797 C CA  . TRP C 119 ? 0.1744 0.2321 0.1893 -0.0095 -0.0510 -0.0020 364 TRP C CA  
5798 C C   . TRP C 119 ? 0.1936 0.2420 0.1961 -0.0132 -0.0524 0.0038  364 TRP C C   
5799 O O   . TRP C 119 ? 0.2047 0.2497 0.1856 -0.0160 -0.0513 0.0021  364 TRP C O   
5800 C CB  . TRP C 119 ? 0.1859 0.2392 0.2001 -0.0081 -0.0634 0.0004  364 TRP C CB  
5801 C CG  . TRP C 119 ? 0.1828 0.2435 0.2087 -0.0044 -0.0642 -0.0043 364 TRP C CG  
5802 C CD1 . TRP C 119 ? 0.1935 0.2644 0.2320 -0.0021 -0.0556 -0.0100 364 TRP C CD1 
5803 C CD2 . TRP C 119 ? 0.1934 0.2513 0.2187 -0.0030 -0.0747 -0.0035 364 TRP C CD2 
5804 N NE1 . TRP C 119 ? 0.1906 0.2652 0.2368 0.0010  -0.0599 -0.0128 364 TRP C NE1 
5805 C CE2 . TRP C 119 ? 0.1902 0.2569 0.2287 0.0005  -0.0715 -0.0089 364 TRP C CE2 
5806 C CE3 . TRP C 119 ? 0.2489 0.2973 0.2632 -0.0049 -0.0866 0.0015  364 TRP C CE3 
5807 C CZ2 . TRP C 119 ? 0.1937 0.2602 0.2348 0.0025  -0.0795 -0.0098 364 TRP C CZ2 
5808 C CZ3 . TRP C 119 ? 0.2622 0.3104 0.2788 -0.0033 -0.0946 0.0006  364 TRP C CZ3 
5809 C CH2 . TRP C 119 ? 0.2267 0.2839 0.2568 0.0005  -0.0908 -0.0051 364 TRP C CH2 
5820 N N   . ASN C 120 ? 0.1882 0.2320 0.2048 -0.0131 -0.0552 0.0109  365 ASN C N   
5821 C CA  . ASN C 120 ? 0.2029 0.2370 0.2104 -0.0163 -0.0584 0.0179  365 ASN C CA  
5822 C C   . ASN C 120 ? 0.2294 0.2569 0.2505 -0.0151 -0.0698 0.0270  365 ASN C C   
5823 O O   . ASN C 120 ? 0.2238 0.2551 0.2671 -0.0118 -0.0711 0.0282  365 ASN C O   
5824 C CB  . ASN C 120 ? 0.1996 0.2346 0.2112 -0.0179 -0.0474 0.0181  365 ASN C CB  
5825 C CG  . ASN C 120 ? 0.2160 0.2407 0.2205 -0.0208 -0.0506 0.0259  365 ASN C CG  
5826 O OD1 . ASN C 120 ? 0.2319 0.2499 0.2160 -0.0236 -0.0556 0.0276  365 ASN C OD1 
5827 N ND2 . ASN C 120 ? 0.2129 0.2356 0.2341 -0.0203 -0.0474 0.0308  365 ASN C ND2 
5834 N N   . ASP C 121 ? 0.2548 0.2725 0.2631 -0.0181 -0.0781 0.0338  366 ASP C N   
5835 C CA  . ASP C 121 ? 0.2652 0.2766 0.2873 -0.0176 -0.0881 0.0441  366 ASP C CA  
5836 C C   . ASP C 121 ? 0.2561 0.2641 0.2864 -0.0184 -0.0818 0.0491  366 ASP C C   
5837 O O   . ASP C 121 ? 0.2474 0.2524 0.2614 -0.0215 -0.0757 0.0478  366 ASP C O   
5838 C CB  . ASP C 121 ? 0.2933 0.2955 0.2985 -0.0206 -0.1016 0.0498  366 ASP C CB  
5839 C CG  . ASP C 121 ? 0.2873 0.2825 0.2654 -0.0253 -0.0999 0.0496  366 ASP C CG  
5840 O OD1 . ASP C 121 ? 0.2673 0.2659 0.2344 -0.0263 -0.0886 0.0426  366 ASP C OD1 
5841 O OD2 . ASP C 121 ? 0.2894 0.2752 0.2558 -0.0286 -0.1107 0.0566  366 ASP C OD2 
5846 N N   . ASP C 122 ? 0.2600 0.2685 0.3160 -0.0156 -0.0825 0.0545  367 ASP C N   
5847 C CA  . ASP C 122 ? 0.2663 0.2712 0.3330 -0.0160 -0.0761 0.0596  367 ASP C CA  
5848 C C   . ASP C 122 ? 0.2811 0.2807 0.3674 -0.0142 -0.0859 0.0709  367 ASP C C   
5849 O O   . ASP C 122 ? 0.2829 0.2823 0.3742 -0.0130 -0.0976 0.0744  367 ASP C O   
5850 C CB  . ASP C 122 ? 0.2467 0.2588 0.3270 -0.0143 -0.0617 0.0529  367 ASP C CB  
5851 C CG  . ASP C 122 ? 0.2773 0.2860 0.3540 -0.0169 -0.0509 0.0536  367 ASP C CG  
5852 O OD1 . ASP C 122 ? 0.3066 0.3068 0.3796 -0.0187 -0.0546 0.0615  367 ASP C OD1 
5853 O OD2 . ASP C 122 ? 0.2765 0.2911 0.3539 -0.0175 -0.0385 0.0462  367 ASP C OD2 
5858 N N   . LYS C 123 ? 0.2915 0.2865 0.3892 -0.0143 -0.0809 0.0769  368 LYS C N   
5859 C CA  . LYS C 123 ? 0.3266 0.3162 0.4441 -0.0127 -0.0891 0.0887  368 LYS C CA  
5860 C C   . LYS C 123 ? 0.2754 0.2703 0.4222 -0.0081 -0.0880 0.0891  368 LYS C C   
5861 O O   . LYS C 123 ? 0.2399 0.2393 0.3980 -0.0065 -0.0754 0.0829  368 LYS C O   
5862 C CB  . LYS C 123 ? 0.4008 0.3836 0.5213 -0.0141 -0.0826 0.0946  368 LYS C CB  
5863 C CG  . LYS C 123 ? 0.5146 0.4903 0.6089 -0.0186 -0.0860 0.0973  368 LYS C CG  
5864 C CD  . LYS C 123 ? 0.6169 0.5950 0.6912 -0.0213 -0.0733 0.0872  368 LYS C CD  
5865 C CE  . LYS C 123 ? 0.7099 0.6808 0.7566 -0.0260 -0.0767 0.0892  368 LYS C CE  
5866 N NZ  . LYS C 123 ? 0.7176 0.6924 0.7430 -0.0286 -0.0664 0.0784  368 LYS C NZ  
5880 N N   . CYS C 124 ? 0.3050 0.2987 0.4641 -0.0063 -0.1011 0.0967  369 CYS C N   
5881 C CA  . CYS C 124 ? 0.3318 0.3308 0.5174 -0.0020 -0.1014 0.0968  369 CYS C CA  
5882 C C   . CYS C 124 ? 0.2927 0.2903 0.5043 0.0006  -0.0916 0.1005  369 CYS C C   
5883 O O   . CYS C 124 ? 0.2729 0.2753 0.5038 0.0037  -0.0858 0.0969  369 CYS C O   
5884 C CB  . CYS C 124 ? 0.4514 0.4491 0.6438 -0.0013 -0.1183 0.1051  369 CYS C CB  
5885 S SG  . CYS C 124 ? 0.4999 0.4984 0.6609 -0.0048 -0.1291 0.0995  369 CYS C SG  
5890 N N   . ASN C 125 ? 0.2977 0.2882 0.5091 -0.0009 -0.0888 0.1073  370 ASN C N   
5891 C CA  . ASN C 125 ? 0.3845 0.3719 0.6189 0.0011  -0.0784 0.1112  370 ASN C CA  
5892 C C   . ASN C 125 ? 0.3325 0.3220 0.5626 -0.0000 -0.0608 0.1011  370 ASN C C   
5893 O O   . ASN C 125 ? 0.3044 0.2909 0.5527 0.0012  -0.0504 0.1029  370 ASN C O   
5894 C CB  . ASN C 125 ? 0.5171 0.4955 0.7519 -0.0003 -0.0827 0.1230  370 ASN C CB  
5895 C CG  . ASN C 125 ? 0.6406 0.6153 0.8444 -0.0050 -0.0820 0.1204  370 ASN C CG  
5896 O OD1 . ASN C 125 ? 0.7108 0.6839 0.8957 -0.0075 -0.0939 0.1227  370 ASN C OD1 
5897 N ND2 . ASN C 125 ? 0.6704 0.6433 0.8680 -0.0067 -0.0678 0.1154  370 ASN C ND2 
5904 N N   . LEU C 126 ? 0.2887 0.2828 0.4954 -0.0026 -0.0570 0.0908  371 LEU C N   
5905 C CA  . LEU C 126 ? 0.2907 0.2876 0.4923 -0.0043 -0.0411 0.0813  371 LEU C CA  
5906 C C   . LEU C 126 ? 0.2514 0.2554 0.4688 -0.0018 -0.0345 0.0742  371 LEU C C   
5907 O O   . LEU C 126 ? 0.2323 0.2419 0.4521 0.0003  -0.0422 0.0718  371 LEU C O   
5908 C CB  . LEU C 126 ? 0.3632 0.3628 0.5344 -0.0081 -0.0395 0.0738  371 LEU C CB  
5909 C CG  . LEU C 126 ? 0.4867 0.4888 0.6505 -0.0108 -0.0236 0.0652  371 LEU C CG  
5910 C CD1 . LEU C 126 ? 0.5484 0.5425 0.7190 -0.0123 -0.0150 0.0704  371 LEU C CD1 
5911 C CD2 . LEU C 126 ? 0.5455 0.5512 0.6806 -0.0142 -0.0232 0.0583  371 LEU C CD2 
5923 N N   . ALA C 127 ? 0.2488 0.2520 0.4760 -0.0025 -0.0201 0.0706  372 ALA C N   
5924 C CA  . ALA C 127 ? 0.2662 0.2750 0.5074 -0.0009 -0.0125 0.0637  372 ALA C CA  
5925 C C   . ALA C 127 ? 0.2168 0.2340 0.4386 -0.0033 -0.0078 0.0522  372 ALA C C   
5926 O O   . ALA C 127 ? 0.2024 0.2196 0.4059 -0.0072 -0.0010 0.0481  372 ALA C O   
5927 C CB  . ALA C 127 ? 0.3160 0.3195 0.5742 -0.0014 0.0015  0.0645  372 ALA C CB  
5933 N N   . LYS C 128 ? 0.1999 0.2244 0.4259 -0.0011 -0.0117 0.0472  373 LYS C N   
5934 C CA  . LYS C 128 ? 0.1824 0.2156 0.3934 -0.0028 -0.0074 0.0368  373 LYS C CA  
5935 C C   . LYS C 128 ? 0.1713 0.2101 0.3991 -0.0003 -0.0046 0.0320  373 LYS C C   
5936 O O   . LYS C 128 ? 0.1771 0.2133 0.4263 0.0029  -0.0080 0.0369  373 LYS C O   
5937 C CB  . LYS C 128 ? 0.1977 0.2343 0.3879 -0.0029 -0.0183 0.0354  373 LYS C CB  
5938 C CG  . LYS C 128 ? 0.2028 0.2337 0.3735 -0.0057 -0.0217 0.0396  373 LYS C CG  
5939 C CD  . LYS C 128 ? 0.2072 0.2406 0.3582 -0.0058 -0.0323 0.0379  373 LYS C CD  
5940 C CE  . LYS C 128 ? 0.2794 0.3063 0.4103 -0.0088 -0.0369 0.0424  373 LYS C CE  
5941 N NZ  . LYS C 128 ? 0.3189 0.3469 0.4330 -0.0126 -0.0259 0.0370  373 LYS C NZ  
5955 N N   . PHE C 129 ? 0.1660 0.2128 0.3845 -0.0020 0.0016  0.0225  374 PHE C N   
5956 C CA  . PHE C 129 ? 0.1462 0.1991 0.3774 0.0005  0.0019  0.0178  374 PHE C CA  
5957 C C   . PHE C 129 ? 0.1371 0.1926 0.3680 0.0041  -0.0122 0.0198  374 PHE C C   
5958 O O   . PHE C 129 ? 0.1272 0.1802 0.3456 0.0041  -0.0216 0.0240  374 PHE C O   
5959 C CB  . PHE C 129 ? 0.1484 0.2093 0.3687 -0.0024 0.0110  0.0080  374 PHE C CB  
5960 C CG  . PHE C 129 ? 0.1677 0.2257 0.3866 -0.0068 0.0248  0.0056  374 PHE C CG  
5961 C CD1 . PHE C 129 ? 0.1789 0.2359 0.3808 -0.0107 0.0289  0.0054  374 PHE C CD1 
5962 C CD2 . PHE C 129 ? 0.1935 0.2408 0.4105 -0.0063 0.0314  0.0034  374 PHE C CD2 
5963 C CE1 . PHE C 129 ? 0.2006 0.2550 0.4011 -0.0153 0.0417  0.0032  374 PHE C CE1 
5964 C CE2 . PHE C 129 ? 0.2238 0.2651 0.4322 -0.0098 0.0421  0.0010  374 PHE C CE2 
5965 C CZ  . PHE C 129 ? 0.2237 0.2690 0.4241 -0.0143 0.0470  0.0009  374 PHE C CZ  
5975 N N   . TRP C 130 ? 0.1544 0.2095 0.3903 0.0064  -0.0132 0.0167  375 TRP C N   
5976 C CA  . TRP C 130 ? 0.1608 0.2155 0.3909 0.0088  -0.0247 0.0175  375 TRP C CA  
5977 C C   . TRP C 130 ? 0.1587 0.2131 0.3767 0.0089  -0.0206 0.0095  375 TRP C C   
5978 O O   . TRP C 130 ? 0.1644 0.2157 0.3801 0.0075  -0.0108 0.0052  375 TRP C O   
5979 C CB  . TRP C 130 ? 0.1559 0.2013 0.3976 0.0102  -0.0320 0.0262  375 TRP C CB  
5980 C CG  . TRP C 130 ? 0.1671 0.2036 0.4166 0.0095  -0.0250 0.0258  375 TRP C CG  
5981 C CD1 . TRP C 130 ? 0.1876 0.2205 0.4327 0.0095  -0.0259 0.0225  375 TRP C CD1 
5982 C CD2 . TRP C 130 ? 0.1714 0.2015 0.4340 0.0081  -0.0160 0.0285  375 TRP C CD2 
5983 N NE1 . TRP C 130 ? 0.2116 0.2368 0.4662 0.0078  -0.0188 0.0232  375 TRP C NE1 
5984 C CE2 . TRP C 130 ? 0.1839 0.2067 0.4493 0.0069  -0.0125 0.0268  375 TRP C CE2 
5985 C CE3 . TRP C 130 ? 0.1710 0.2004 0.4431 0.0075  -0.0100 0.0323  375 TRP C CE3 
5986 C CZ2 . TRP C 130 ? 0.1673 0.1821 0.4447 0.0048  -0.0037 0.0288  375 TRP C CZ2 
5987 C CZ3 . TRP C 130 ? 0.2062 0.2269 0.4895 0.0059  -0.0005 0.0341  375 TRP C CZ3 
5988 C CH2 . TRP C 130 ? 0.2069 0.2203 0.4927 0.0044  0.0023  0.0323  375 TRP C CH2 
5999 N N   . ILE C 131 ? 0.1527 0.2244 0.3429 0.0170  0.0159  -0.0223 376 ILE C N   
6000 C CA  . ILE C 131 ? 0.1660 0.2362 0.3676 0.0136  0.0128  -0.0224 376 ILE C CA  
6001 C C   . ILE C 131 ? 0.1751 0.2464 0.3904 0.0114  0.0087  -0.0205 376 ILE C C   
6002 O O   . ILE C 131 ? 0.1604 0.2324 0.3754 0.0148  0.0022  -0.0216 376 ILE C O   
6003 C CB  . ILE C 131 ? 0.1537 0.2216 0.3507 0.0172  0.0039  -0.0265 376 ILE C CB  
6004 C CG1 . ILE C 131 ? 0.1617 0.2284 0.3463 0.0184  0.0091  -0.0283 376 ILE C CG1 
6005 C CG2 . ILE C 131 ? 0.1406 0.2007 0.3374 0.0127  -0.0023 -0.0254 376 ILE C CG2 
6006 C CD1 . ILE C 131 ? 0.1880 0.2512 0.3618 0.0227  0.0005  -0.0325 376 ILE C CD1 
6018 N N   . CYS C 132 ? 0.1799 0.2507 0.4054 0.0050  0.0130  -0.0175 377 CYS C N   
6019 C CA  . CYS C 132 ? 0.1777 0.2485 0.4155 0.0018  0.0090  -0.0155 377 CYS C CA  
6020 C C   . CYS C 132 ? 0.1647 0.2263 0.3971 -0.0013 0.0011  -0.0157 377 CYS C C   
6021 O O   . CYS C 132 ? 0.1704 0.2252 0.3907 -0.0030 0.0016  -0.0161 377 CYS C O   
6022 C CB  . CYS C 132 ? 0.2039 0.2746 0.4461 -0.0040 0.0187  -0.0112 377 CYS C CB  
6023 S SG  . CYS C 132 ? 0.2265 0.2992 0.4593 -0.0014 0.0272  -0.0098 377 CYS C SG  
6028 N N   . LYS C 133 ? 0.1224 0.1838 0.3639 -0.0020 -0.0063 -0.0155 378 LYS C N   
6029 C CA  . LYS C 133 ? 0.1120 0.1647 0.3497 -0.0048 -0.0145 -0.0157 378 LYS C CA  
6030 C C   . LYS C 133 ? 0.1073 0.1595 0.3573 -0.0103 -0.0150 -0.0128 378 LYS C C   
6031 O O   . LYS C 133 ? 0.1073 0.1666 0.3700 -0.0090 -0.0154 -0.0125 378 LYS C O   
6032 C CB  . LYS C 133 ? 0.1092 0.1615 0.3432 0.0014  -0.0262 -0.0197 378 LYS C CB  
6033 C CG  . LYS C 133 ? 0.1339 0.1776 0.3645 -0.0006 -0.0358 -0.0202 378 LYS C CG  
6034 C CD  . LYS C 133 ? 0.1750 0.2199 0.4041 0.0062  -0.0470 -0.0242 378 LYS C CD  
6035 C CE  . LYS C 133 ? 0.2370 0.2740 0.4645 0.0043  -0.0569 -0.0247 378 LYS C CE  
6036 N NZ  . LYS C 133 ? 0.2568 0.2946 0.4825 0.0109  -0.0678 -0.0286 378 LYS C NZ  
6050 N N   . LYS C 134 ? 0.1122 0.1555 0.3580 -0.0163 -0.0154 -0.0109 379 LYS C N   
6051 C CA  . LYS C 134 ? 0.1172 0.1588 0.3736 -0.0215 -0.0172 -0.0087 379 LYS C CA  
6052 C C   . LYS C 134 ? 0.1423 0.1724 0.3900 -0.0254 -0.0228 -0.0084 379 LYS C C   
6053 O O   . LYS C 134 ? 0.1655 0.1893 0.3994 -0.0249 -0.0231 -0.0093 379 LYS C O   
6054 C CB  . LYS C 134 ? 0.1327 0.1774 0.3978 -0.0272 -0.0063 -0.0048 379 LYS C CB  
6055 C CG  . LYS C 134 ? 0.2130 0.2513 0.4684 -0.0323 0.0026  -0.0024 379 LYS C CG  
6056 C CD  . LYS C 134 ? 0.3205 0.3617 0.5867 -0.0384 0.0123  0.0015  379 LYS C CD  
6057 C CE  . LYS C 134 ? 0.4408 0.4819 0.6982 -0.0393 0.0235  0.0033  379 LYS C CE  
6058 N NZ  . LYS C 134 ? 0.5444 0.5859 0.8018 -0.0417 0.0308  0.0064  379 LYS C NZ  
6072 N N   . SER C 135 ? 0.1503 0.1779 0.4062 -0.0290 -0.0274 -0.0073 380 SER C N   
6073 C CA  . SER C 135 ? 0.1865 0.2030 0.4349 -0.0323 -0.0338 -0.0073 380 SER C CA  
6074 C C   . SER C 135 ? 0.2014 0.2102 0.4426 -0.0390 -0.0260 -0.0042 380 SER C C   
6075 O O   . SER C 135 ? 0.1914 0.2033 0.4383 -0.0430 -0.0162 -0.0014 380 SER C O   
6076 C CB  . SER C 135 ? 0.2472 0.2632 0.5068 -0.0347 -0.0405 -0.0069 380 SER C CB  
6077 O OG  . SER C 135 ? 0.3211 0.3392 0.5917 -0.0408 -0.0333 -0.0036 380 SER C OG  
6083 N N   . ALA C 136 ? 0.2229 0.2214 0.4514 -0.0401 -0.0304 -0.0048 381 ALA C N   
6084 C CA  . ALA C 136 ? 0.2699 0.2598 0.4901 -0.0463 -0.0239 -0.0021 381 ALA C CA  
6085 C C   . ALA C 136 ? 0.2710 0.2552 0.4979 -0.0534 -0.0240 0.0007  381 ALA C C   
6086 O O   . ALA C 136 ? 0.2719 0.2558 0.5058 -0.0532 -0.0317 -0.0001 381 ALA C O   
6087 C CB  . ALA C 136 ? 0.3026 0.2836 0.5058 -0.0443 -0.0286 -0.0039 381 ALA C CB  
6093 N N   . ALA C 137 ? 0.2824 0.2619 0.5070 -0.0597 -0.0152 0.0040  382 ALA C N   
6094 C CA  . ALA C 137 ? 0.3388 0.3113 0.5669 -0.0669 -0.0147 0.0067  382 ALA C CA  
6095 C C   . ALA C 137 ? 0.4077 0.3670 0.6229 -0.0685 -0.0214 0.0061  382 ALA C C   
6096 O O   . ALA C 137 ? 0.3643 0.3192 0.5657 -0.0657 -0.0228 0.0047  382 ALA C O   
6097 C CB  . ALA C 137 ? 0.3452 0.3183 0.5694 -0.0709 -0.0023 0.0101  382 ALA C CB  
6103 N N   . SER C 138 ? 0.5417 0.4956 0.7582 -0.0720 -0.0252 0.0071  383 SER C N   
6104 C CA  . SER C 138 ? 0.6548 0.5957 0.8594 -0.0740 -0.0313 0.0069  383 SER C CA  
6105 C C   . SER C 138 ? 0.6798 0.6129 0.8740 -0.0798 -0.0229 0.0101  383 SER C C   
6106 O O   . SER C 138 ? 0.6810 0.6172 0.8793 -0.0835 -0.0157 0.0125  383 SER C O   
6107 C CB  . SER C 138 ? 0.7306 0.6695 0.9403 -0.0740 -0.0402 0.0059  383 SER C CB  
6108 O OG  . SER C 138 ? 0.7872 0.7134 0.9847 -0.0762 -0.0450 0.0061  383 SER C OG  
6114 N N   . CYS C 139 ? 0.6970 0.6200 0.8773 -0.0804 -0.0242 0.0099  384 CYS C N   
6115 C CA  . CYS C 139 ? 0.7590 0.6734 0.9277 -0.0858 -0.0170 0.0127  384 CYS C CA  
6116 C C   . CYS C 139 ? 0.7846 0.6856 0.9422 -0.0876 -0.0242 0.0123  384 CYS C C   
6117 O O   . CYS C 139 ? 0.7903 0.6841 0.9375 -0.0854 -0.0290 0.0109  384 CYS C O   
6118 C CB  . CYS C 139 ? 0.7790 0.6934 0.9395 -0.0854 -0.0098 0.0132  384 CYS C CB  
6119 S SG  . CYS C 139 ? 0.7541 0.6837 0.9250 -0.0832 -0.0002 0.0138  384 CYS C SG  
# 
