data_8VCG
# 
_entry.id   8VCG 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   8VCG         pdb_00008vcg 10.2210/pdb8vcg/pdb 
WWPDB D_1000279789 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-01-29 
# 
_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                        8VCG 
_pdbx_database_status.recvd_initial_deposition_date   2023-12-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              Michelle.krogsgaard@nyulangone.org 
_pdbx_contact_author.name_first         Michelle 
_pdbx_contact_author.name_last          Krogsgaard 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5006-7981 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Hashem, A.'     1 0009-0004-0434-0712 
'Nyovanie, S.'   2 0000-0003-0966-0024 
'Oltean, N.'     3 0009-0000-6715-6593 
'Patskovska, L.' 4 0000-0002-8910-0504 
'Patskovsky, Y.' 5 0000-0003-3316-2295 
'Krogsgaard, M.' 6 0000-0001-5006-7981 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Engineered Mutant Src Sh2 Domain' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hashem, A.'     1 ? 
primary 'Nyovanie, S.'   2 ? 
primary 'Patskovsky, Y.' 3 ? 
primary 'Krogsgaard, M.' 4 ? 
# 
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 'Isoform 3 of Proto-oncogene tyrosine-protein kinase Src' 14320.010 1   2.7.10.2 ? 'SH2 DOMAIN' ? 
2 non-polymer nat O-PHOSPHOTYROSINE                                         261.168   1   ?        ? ?            ? 
3 water       nat water                                                     18.015    136 ?        ? ?            ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Proto-oncogene c-Src,pp60c-src,p60-Src' 
# 
_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       
;MGSSHHHHHHGLVPRGSHMDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETVKGAYALSVSDFDNAKGLNVKH
YLIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLSHRLTTVSPT
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGSSHHHHHHGLVPRGSHMDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETVKGAYALSVSDFDNAKGLNVKH
YLIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLSHRLTTVSPT
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 O-PHOSPHOTYROSINE PTR 
3 water             HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLY n 
1 3   SER n 
1 4   SER n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   HIS n 
1 9   HIS n 
1 10  HIS n 
1 11  GLY n 
1 12  LEU n 
1 13  VAL n 
1 14  PRO n 
1 15  ARG n 
1 16  GLY n 
1 17  SER n 
1 18  HIS n 
1 19  MET n 
1 20  ASP n 
1 21  SER n 
1 22  ILE n 
1 23  GLN n 
1 24  ALA n 
1 25  GLU n 
1 26  GLU n 
1 27  TRP n 
1 28  TYR n 
1 29  PHE n 
1 30  GLY n 
1 31  LYS n 
1 32  ILE n 
1 33  THR n 
1 34  ARG n 
1 35  ARG n 
1 36  GLU n 
1 37  SER n 
1 38  GLU n 
1 39  ARG n 
1 40  LEU n 
1 41  LEU n 
1 42  LEU n 
1 43  ASN n 
1 44  ALA n 
1 45  GLU n 
1 46  ASN n 
1 47  PRO n 
1 48  ARG n 
1 49  GLY n 
1 50  THR n 
1 51  PHE n 
1 52  LEU n 
1 53  VAL n 
1 54  ARG n 
1 55  GLU n 
1 56  SER n 
1 57  GLU n 
1 58  THR n 
1 59  VAL n 
1 60  LYS n 
1 61  GLY n 
1 62  ALA n 
1 63  TYR n 
1 64  ALA n 
1 65  LEU n 
1 66  SER n 
1 67  VAL n 
1 68  SER n 
1 69  ASP n 
1 70  PHE n 
1 71  ASP n 
1 72  ASN n 
1 73  ALA n 
1 74  LYS n 
1 75  GLY n 
1 76  LEU n 
1 77  ASN n 
1 78  VAL n 
1 79  LYS n 
1 80  HIS n 
1 81  TYR n 
1 82  LEU n 
1 83  ILE n 
1 84  ARG n 
1 85  LYS n 
1 86  LEU n 
1 87  ASP n 
1 88  SER n 
1 89  GLY n 
1 90  GLY n 
1 91  PHE n 
1 92  TYR n 
1 93  ILE n 
1 94  THR n 
1 95  SER n 
1 96  ARG n 
1 97  THR n 
1 98  GLN n 
1 99  PHE n 
1 100 ASN n 
1 101 SER n 
1 102 LEU n 
1 103 GLN n 
1 104 GLN n 
1 105 LEU n 
1 106 VAL n 
1 107 ALA n 
1 108 TYR n 
1 109 TYR n 
1 110 SER n 
1 111 LYS n 
1 112 HIS n 
1 113 ALA n 
1 114 ASP n 
1 115 GLY n 
1 116 LEU n 
1 117 SER n 
1 118 HIS n 
1 119 ARG n 
1 120 LEU n 
1 121 THR n 
1 122 THR n 
1 123 VAL n 
1 124 SER n 
1 125 PRO n 
1 126 THR 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                   126 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'SRC, SRC1' 
_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          PLASMID 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pET 
_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 
ALA 'L-peptide linking' y ALANINE           ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE          ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE        ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'   ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE          ?                 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE         ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'   ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE           ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE         ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER             ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE        ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE           ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE            ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE        ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE     ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE           ?                 'C5 H9 N O2'     115.130 
PTR 'L-peptide linking' n O-PHOSPHOTYROSINE PHOSPHONOTYROSINE 'C9 H12 N O6 P'  261.168 
SER 'L-peptide linking' y SERINE            ?                 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE         ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN        ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE          ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE            ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   125 ?   ?   ?   A . n 
A 1 2   GLY 2   126 ?   ?   ?   A . n 
A 1 3   SER 3   127 ?   ?   ?   A . n 
A 1 4   SER 4   128 ?   ?   ?   A . n 
A 1 5   HIS 5   129 ?   ?   ?   A . n 
A 1 6   HIS 6   130 ?   ?   ?   A . n 
A 1 7   HIS 7   131 ?   ?   ?   A . n 
A 1 8   HIS 8   132 ?   ?   ?   A . n 
A 1 9   HIS 9   133 ?   ?   ?   A . n 
A 1 10  HIS 10  134 ?   ?   ?   A . n 
A 1 11  GLY 11  135 ?   ?   ?   A . n 
A 1 12  LEU 12  136 ?   ?   ?   A . n 
A 1 13  VAL 13  137 ?   ?   ?   A . n 
A 1 14  PRO 14  138 ?   ?   ?   A . n 
A 1 15  ARG 15  139 ?   ?   ?   A . n 
A 1 16  GLY 16  140 ?   ?   ?   A . n 
A 1 17  SER 17  141 ?   ?   ?   A . n 
A 1 18  HIS 18  142 ?   ?   ?   A . n 
A 1 19  MET 19  143 143 MET MET A . n 
A 1 20  ASP 20  144 144 ASP ASP A . n 
A 1 21  SER 21  145 145 SER SER A . n 
A 1 22  ILE 22  146 146 ILE ILE A . n 
A 1 23  GLN 23  147 147 GLN GLN A . n 
A 1 24  ALA 24  148 148 ALA ALA A . n 
A 1 25  GLU 25  149 149 GLU GLU A . n 
A 1 26  GLU 26  150 150 GLU GLU A . n 
A 1 27  TRP 27  151 151 TRP TRP A . n 
A 1 28  TYR 28  152 152 TYR TYR A . n 
A 1 29  PHE 29  153 153 PHE PHE A . n 
A 1 30  GLY 30  154 154 GLY GLY A . n 
A 1 31  LYS 31  155 155 LYS LYS A . n 
A 1 32  ILE 32  156 156 ILE ILE A . n 
A 1 33  THR 33  157 157 THR THR A . n 
A 1 34  ARG 34  158 158 ARG ARG A . n 
A 1 35  ARG 35  159 159 ARG ARG A . n 
A 1 36  GLU 36  160 160 GLU GLU A . n 
A 1 37  SER 37  161 161 SER SER A . n 
A 1 38  GLU 38  162 162 GLU GLU A . n 
A 1 39  ARG 39  163 163 ARG ARG A . n 
A 1 40  LEU 40  164 164 LEU LEU A . n 
A 1 41  LEU 41  165 165 LEU LEU A . n 
A 1 42  LEU 42  166 166 LEU LEU A . n 
A 1 43  ASN 43  167 167 ASN ASN A . n 
A 1 44  ALA 44  168 168 ALA ALA A . n 
A 1 45  GLU 45  169 169 GLU GLU A . n 
A 1 46  ASN 46  170 170 ASN ASN A . n 
A 1 47  PRO 47  171 171 PRO PRO A . n 
A 1 48  ARG 48  172 172 ARG ARG A . n 
A 1 49  GLY 49  173 173 GLY GLY A . n 
A 1 50  THR 50  174 174 THR THR A . n 
A 1 51  PHE 51  175 175 PHE PHE A . n 
A 1 52  LEU 52  176 176 LEU LEU A . n 
A 1 53  VAL 53  177 177 VAL VAL A . n 
A 1 54  ARG 54  178 178 ARG ARG A . n 
A 1 55  GLU 55  179 179 GLU GLU A . n 
A 1 56  SER 56  180 180 SER SER A . n 
A 1 57  GLU 57  181 181 GLU GLU A . n 
A 1 58  THR 58  182 182 THR THR A . n 
A 1 59  VAL 59  183 183 VAL VAL A . n 
A 1 60  LYS 60  184 184 LYS LYS A . n 
A 1 61  GLY 61  185 185 GLY GLY A . n 
A 1 62  ALA 62  186 186 ALA ALA A . n 
A 1 63  TYR 63  187 187 TYR TYR A . n 
A 1 64  ALA 64  188 188 ALA ALA A . n 
A 1 65  LEU 65  189 189 LEU LEU A . n 
A 1 66  SER 66  190 190 SER SER A . n 
A 1 67  VAL 67  191 191 VAL VAL A . n 
A 1 68  SER 68  192 192 SER SER A . n 
A 1 69  ASP 69  193 193 ASP ASP A . n 
A 1 70  PHE 70  194 194 PHE PHE A . n 
A 1 71  ASP 71  195 195 ASP ASP A . n 
A 1 72  ASN 72  196 196 ASN ASN A . n 
A 1 73  ALA 73  197 197 ALA ALA A . n 
A 1 74  LYS 74  198 198 LYS LYS A . n 
A 1 75  GLY 75  199 199 GLY GLY A . n 
A 1 76  LEU 76  200 200 LEU LEU A . n 
A 1 77  ASN 77  201 201 ASN ASN A . n 
A 1 78  VAL 78  202 202 VAL VAL A . n 
A 1 79  LYS 79  203 203 LYS LYS A . n 
A 1 80  HIS 80  204 204 HIS HIS A . n 
A 1 81  TYR 81  205 205 TYR TYR A . n 
A 1 82  LEU 82  206 206 LEU LEU A . n 
A 1 83  ILE 83  207 207 ILE ILE A . n 
A 1 84  ARG 84  208 208 ARG ARG A . n 
A 1 85  LYS 85  209 209 LYS LYS A . n 
A 1 86  LEU 86  210 210 LEU LEU A . n 
A 1 87  ASP 87  211 211 ASP ASP A . n 
A 1 88  SER 88  212 212 SER SER A . n 
A 1 89  GLY 89  213 213 GLY GLY A . n 
A 1 90  GLY 90  214 214 GLY GLY A . n 
A 1 91  PHE 91  215 215 PHE PHE A . n 
A 1 92  TYR 92  216 216 TYR TYR A . n 
A 1 93  ILE 93  217 217 ILE ILE A . n 
A 1 94  THR 94  218 218 THR THR A . n 
A 1 95  SER 95  219 219 SER SER A . n 
A 1 96  ARG 96  220 220 ARG ARG A . n 
A 1 97  THR 97  221 221 THR THR A . n 
A 1 98  GLN 98  222 222 GLN GLN A . n 
A 1 99  PHE 99  223 223 PHE PHE A . n 
A 1 100 ASN 100 224 224 ASN ASN A . n 
A 1 101 SER 101 225 225 SER SER A . n 
A 1 102 LEU 102 226 226 LEU LEU A . n 
A 1 103 GLN 103 227 227 GLN GLN A . n 
A 1 104 GLN 104 228 228 GLN GLN A . n 
A 1 105 LEU 105 229 229 LEU LEU A . n 
A 1 106 VAL 106 230 230 VAL VAL A . n 
A 1 107 ALA 107 231 231 ALA ALA A . n 
A 1 108 TYR 108 232 232 TYR TYR A . n 
A 1 109 TYR 109 233 233 TYR TYR A . n 
A 1 110 SER 110 234 234 SER SER A . n 
A 1 111 LYS 111 235 235 LYS LYS A . n 
A 1 112 HIS 112 236 236 HIS HIS A . n 
A 1 113 ALA 113 237 237 ALA ALA A . n 
A 1 114 ASP 114 238 238 ASP ASP A . n 
A 1 115 GLY 115 239 239 GLY GLY A . n 
A 1 116 LEU 116 240 240 LEU LEU A . n 
A 1 117 SER 117 241 241 SER SER A . n 
A 1 118 HIS 118 242 242 HIS HIS A . n 
A 1 119 ARG 119 243 243 ARG ARG A . n 
A 1 120 LEU 120 244 244 LEU LEU A . n 
A 1 121 THR 121 245 245 THR THR A . n 
A 1 122 THR 122 246 246 THR THR A . n 
A 1 123 VAL 123 247 247 VAL VAL A . n 
A 1 124 SER 124 248 248 SER SER A . n 
A 1 125 PRO 125 249 249 PRO PRO A . n 
A 1 126 THR 126 250 250 THR THR A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        PTR 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   PTR 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 PTR 1   301 301 PTR PTR A . 
C 3 HOH 1   401 178 HOH HOH A . 
C 3 HOH 2   402 112 HOH HOH A . 
C 3 HOH 3   403 184 HOH HOH A . 
C 3 HOH 4   404 141 HOH HOH A . 
C 3 HOH 5   405 201 HOH HOH A . 
C 3 HOH 6   406 171 HOH HOH A . 
C 3 HOH 7   407 137 HOH HOH A . 
C 3 HOH 8   408 35  HOH HOH A . 
C 3 HOH 9   409 21  HOH HOH A . 
C 3 HOH 10  410 99  HOH HOH A . 
C 3 HOH 11  411 45  HOH HOH A . 
C 3 HOH 12  412 199 HOH HOH A . 
C 3 HOH 13  413 172 HOH HOH A . 
C 3 HOH 14  414 176 HOH HOH A . 
C 3 HOH 15  415 12  HOH HOH A . 
C 3 HOH 16  416 41  HOH HOH A . 
C 3 HOH 17  417 206 HOH HOH A . 
C 3 HOH 18  418 153 HOH HOH A . 
C 3 HOH 19  419 123 HOH HOH A . 
C 3 HOH 20  420 128 HOH HOH A . 
C 3 HOH 21  421 39  HOH HOH A . 
C 3 HOH 22  422 165 HOH HOH A . 
C 3 HOH 23  423 47  HOH HOH A . 
C 3 HOH 24  424 144 HOH HOH A . 
C 3 HOH 25  425 56  HOH HOH A . 
C 3 HOH 26  426 17  HOH HOH A . 
C 3 HOH 27  427 54  HOH HOH A . 
C 3 HOH 28  428 134 HOH HOH A . 
C 3 HOH 29  429 68  HOH HOH A . 
C 3 HOH 30  430 164 HOH HOH A . 
C 3 HOH 31  431 168 HOH HOH A . 
C 3 HOH 32  432 143 HOH HOH A . 
C 3 HOH 33  433 16  HOH HOH A . 
C 3 HOH 34  434 186 HOH HOH A . 
C 3 HOH 35  435 23  HOH HOH A . 
C 3 HOH 36  436 65  HOH HOH A . 
C 3 HOH 37  437 58  HOH HOH A . 
C 3 HOH 38  438 147 HOH HOH A . 
C 3 HOH 39  439 138 HOH HOH A . 
C 3 HOH 40  440 8   HOH HOH A . 
C 3 HOH 41  441 146 HOH HOH A . 
C 3 HOH 42  442 162 HOH HOH A . 
C 3 HOH 43  443 7   HOH HOH A . 
C 3 HOH 44  444 6   HOH HOH A . 
C 3 HOH 45  445 160 HOH HOH A . 
C 3 HOH 46  446 129 HOH HOH A . 
C 3 HOH 47  447 20  HOH HOH A . 
C 3 HOH 48  448 89  HOH HOH A . 
C 3 HOH 49  449 49  HOH HOH A . 
C 3 HOH 50  450 139 HOH HOH A . 
C 3 HOH 51  451 43  HOH HOH A . 
C 3 HOH 52  452 161 HOH HOH A . 
C 3 HOH 53  453 180 HOH HOH A . 
C 3 HOH 54  454 66  HOH HOH A . 
C 3 HOH 55  455 119 HOH HOH A . 
C 3 HOH 56  456 133 HOH HOH A . 
C 3 HOH 57  457 19  HOH HOH A . 
C 3 HOH 58  458 22  HOH HOH A . 
C 3 HOH 59  459 127 HOH HOH A . 
C 3 HOH 60  460 116 HOH HOH A . 
C 3 HOH 61  461 174 HOH HOH A . 
C 3 HOH 62  462 14  HOH HOH A . 
C 3 HOH 63  463 151 HOH HOH A . 
C 3 HOH 64  464 48  HOH HOH A . 
C 3 HOH 65  465 24  HOH HOH A . 
C 3 HOH 66  466 140 HOH HOH A . 
C 3 HOH 67  467 83  HOH HOH A . 
C 3 HOH 68  468 29  HOH HOH A . 
C 3 HOH 69  469 166 HOH HOH A . 
C 3 HOH 70  470 44  HOH HOH A . 
C 3 HOH 71  471 177 HOH HOH A . 
C 3 HOH 72  472 203 HOH HOH A . 
C 3 HOH 73  473 27  HOH HOH A . 
C 3 HOH 74  474 198 HOH HOH A . 
C 3 HOH 75  475 50  HOH HOH A . 
C 3 HOH 76  476 86  HOH HOH A . 
C 3 HOH 77  477 25  HOH HOH A . 
C 3 HOH 78  478 32  HOH HOH A . 
C 3 HOH 79  479 57  HOH HOH A . 
C 3 HOH 80  480 40  HOH HOH A . 
C 3 HOH 81  481 130 HOH HOH A . 
C 3 HOH 82  482 5   HOH HOH A . 
C 3 HOH 83  483 122 HOH HOH A . 
C 3 HOH 84  484 150 HOH HOH A . 
C 3 HOH 85  485 31  HOH HOH A . 
C 3 HOH 86  486 3   HOH HOH A . 
C 3 HOH 87  487 38  HOH HOH A . 
C 3 HOH 88  488 196 HOH HOH A . 
C 3 HOH 89  489 136 HOH HOH A . 
C 3 HOH 90  490 154 HOH HOH A . 
C 3 HOH 91  491 15  HOH HOH A . 
C 3 HOH 92  492 194 HOH HOH A . 
C 3 HOH 93  493 132 HOH HOH A . 
C 3 HOH 94  494 64  HOH HOH A . 
C 3 HOH 95  495 93  HOH HOH A . 
C 3 HOH 96  496 173 HOH HOH A . 
C 3 HOH 97  497 62  HOH HOH A . 
C 3 HOH 98  498 169 HOH HOH A . 
C 3 HOH 99  499 87  HOH HOH A . 
C 3 HOH 100 500 181 HOH HOH A . 
C 3 HOH 101 501 183 HOH HOH A . 
C 3 HOH 102 502 163 HOH HOH A . 
C 3 HOH 103 503 85  HOH HOH A . 
C 3 HOH 104 504 188 HOH HOH A . 
C 3 HOH 105 505 207 HOH HOH A . 
C 3 HOH 106 506 92  HOH HOH A . 
C 3 HOH 107 507 155 HOH HOH A . 
C 3 HOH 108 508 152 HOH HOH A . 
C 3 HOH 109 509 156 HOH HOH A . 
C 3 HOH 110 510 187 HOH HOH A . 
C 3 HOH 111 511 142 HOH HOH A . 
C 3 HOH 112 512 145 HOH HOH A . 
C 3 HOH 113 513 191 HOH HOH A . 
C 3 HOH 114 514 149 HOH HOH A . 
C 3 HOH 115 515 148 HOH HOH A . 
C 3 HOH 116 516 185 HOH HOH A . 
C 3 HOH 117 517 182 HOH HOH A . 
C 3 HOH 118 518 202 HOH HOH A . 
C 3 HOH 119 519 192 HOH HOH A . 
C 3 HOH 120 520 175 HOH HOH A . 
C 3 HOH 121 521 167 HOH HOH A . 
C 3 HOH 122 522 200 HOH HOH A . 
C 3 HOH 123 523 9   HOH HOH A . 
C 3 HOH 124 524 158 HOH HOH A . 
C 3 HOH 125 525 190 HOH HOH A . 
C 3 HOH 126 526 197 HOH HOH A . 
C 3 HOH 127 527 135 HOH HOH A . 
C 3 HOH 128 528 159 HOH HOH A . 
C 3 HOH 129 529 189 HOH HOH A . 
C 3 HOH 130 530 205 HOH HOH A . 
C 3 HOH 131 531 193 HOH HOH A . 
C 3 HOH 132 532 157 HOH HOH A . 
C 3 HOH 133 533 37  HOH HOH A . 
C 3 HOH 134 534 170 HOH HOH A . 
C 3 HOH 135 535 179 HOH HOH A . 
C 3 HOH 136 536 195 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A LYS 184 ? CG ? A LYS 60 CG 
2 1 Y 1 A LYS 184 ? CD ? A LYS 60 CD 
3 1 Y 1 A LYS 184 ? CE ? A LYS 60 CE 
4 1 Y 1 A LYS 184 ? NZ ? A LYS 60 NZ 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0257 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VCG 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     67.674 
_cell.length_a_esd                 ? 
_cell.length_b                     67.674 
_cell.length_b_esd                 ? 
_cell.length_c                     46.759 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         8VCG 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                169 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 61' 
_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                   8VCG 
_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             2.16 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.30 
_exptl_crystal.description                  PYRAMID 
_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    
;VAPOR DIFFUSION,
SITTING DROP, TEMPERATURE 290K
0.2 M Ammonium Fluoride, 20% PEG 3350
;
_exptl_crystal_grow.pdbx_pH_range   7.0-7.5 
_exptl_crystal_grow.temp            290 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100.000 
_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                      'SI 111 CRYSTAL' 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-27 
_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                    'SI 111 CRYSTAL' 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97934 
_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                        'NSLS-II BEAMLINE 17-ID-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97934 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-2 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8VCG 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.61 
_reflns.d_resolution_low                               29.30 
_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                                     15693 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.4 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                8.100 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.5000 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.06800 
_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                                    1.61 
_reflns_shell.d_res_low                                     1.66 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.100 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1097 
_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                               5.0 
_reflns_shell.pdbx_chi_squared                              0.56 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          95.3 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.5400 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.05 
_refine.aniso_B[1][2]                            -0.03 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -0.05 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            0.17 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               35.391 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.984 
_refine.correlation_coeff_Fo_to_Fc_free          0.967 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8VCG 
_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                            1.61 
_refine.ls_d_res_low                             29.30 
_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                     15213 
_refine.ls_number_reflns_R_free                  472 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.38 
_refine.ls_percent_reflns_R_free                 3.0 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.12392 
_refine.ls_R_factor_R_free                       0.17569 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.12215 
_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                    'BABINET MODEL WITH MASK' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.083 
_refine.pdbx_overall_ESU_R_Free                  0.075 
_refine.pdbx_solvent_vdw_probe_radii             1.40 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             3.494 
_refine.overall_SU_ML                            0.054 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.61 
_refine_hist.d_res_low                        29.30 
_refine_hist.number_atoms_solvent             136 
_refine_hist.number_atoms_total               1018 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        882 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013  0.013  912  ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.017  825  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.800  1.653  1238 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.522  1.576  1909 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.468  5.000  113  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 26.660 20.962 52   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 15.139 15.000 154  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 18.288 15.000 8    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  118  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1031 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.005  0.020  213  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 7.612  3.096  440  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 7.611  3.092  440  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 6.827  4.595  548  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 6.821  4.600  549  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 12.004 3.946  472  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 12.045 3.956  468  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 12.085 5.514  688  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 9.903  38.880 1065 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 9.889  37.569 1026 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? 17.702 3.000  1737 ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.614 
_refine_ls_shell.d_res_low                        1.656 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             35 
_refine_ls_shell.number_reflns_R_work             1057 
_refine_ls_shell.percent_reflns_obs               94.71 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.186 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.194 
# 
_struct.entry_id                     8VCG 
_struct.title                        'Mutant Src SH2 domain in complex with phosphotyrosine' 
_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        8VCG 
_struct_keywords.text            'SH2 DOMAIN, CELL SIGNALLING, PHOSPHOTYROSINE BINDING, PROTEIN BINDING' 
_struct_keywords.pdbx_keywords   'PROTEIN BINDING' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SRC_HUMAN 
_struct_ref.pdbx_db_accession          P12931 
_struct_ref.pdbx_db_isoform            P12931-3 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;DSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQF
NSLQQLVAYYSKHADGLCHRLTTVCPT
;
_struct_ref.pdbx_align_begin           161 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8VCG 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 20 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 126 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P12931 
_struct_ref_seq.db_align_beg                  161 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  267 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       144 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
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 8VCG MET A 1   ? UNP P12931 ?   ?   'initiating methionine' 125 1  
1 8VCG GLY A 2   ? UNP P12931 ?   ?   'expression tag'        126 2  
1 8VCG SER A 3   ? UNP P12931 ?   ?   'expression tag'        127 3  
1 8VCG SER A 4   ? UNP P12931 ?   ?   'expression tag'        128 4  
1 8VCG HIS A 5   ? UNP P12931 ?   ?   'expression tag'        129 5  
1 8VCG HIS A 6   ? UNP P12931 ?   ?   'expression tag'        130 6  
1 8VCG HIS A 7   ? UNP P12931 ?   ?   'expression tag'        131 7  
1 8VCG HIS A 8   ? UNP P12931 ?   ?   'expression tag'        132 8  
1 8VCG HIS A 9   ? UNP P12931 ?   ?   'expression tag'        133 9  
1 8VCG HIS A 10  ? UNP P12931 ?   ?   'expression tag'        134 10 
1 8VCG GLY A 11  ? UNP P12931 ?   ?   'expression tag'        135 11 
1 8VCG LEU A 12  ? UNP P12931 ?   ?   'expression tag'        136 12 
1 8VCG VAL A 13  ? UNP P12931 ?   ?   'expression tag'        137 13 
1 8VCG PRO A 14  ? UNP P12931 ?   ?   'expression tag'        138 14 
1 8VCG ARG A 15  ? UNP P12931 ?   ?   'expression tag'        139 15 
1 8VCG GLY A 16  ? UNP P12931 ?   ?   'expression tag'        140 16 
1 8VCG SER A 17  ? UNP P12931 ?   ?   'expression tag'        141 17 
1 8VCG HIS A 18  ? UNP P12931 ?   ?   'expression tag'        142 18 
1 8VCG MET A 19  ? UNP P12931 ?   ?   'expression tag'        143 19 
1 8VCG VAL A 59  ? UNP P12931 THR 200 conflict                183 20 
1 8VCG ALA A 64  ? UNP P12931 CYS 205 conflict                188 21 
1 8VCG LEU A 82  ? UNP P12931 LYS 223 conflict                206 22 
1 8VCG SER A 117 ? UNP P12931 CYS 258 conflict                241 23 
1 8VCG SER A 124 ? UNP P12931 CYS 265 conflict                248 24 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  6460 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   '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 SER A 21  ? GLU A 25  ? SER A 145 GLU A 149 5 ? 5  
HELX_P HELX_P2 AA2 THR A 33  ? LEU A 42  ? THR A 157 LEU A 166 1 ? 10 
HELX_P HELX_P3 AA3 SER A 101 ? HIS A 112 ? SER A 225 HIS A 236 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? 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 97  ? PHE A 99  ? THR A 221 PHE A 223 
AA1 2 PHE A 91  ? THR A 94  ? PHE A 215 THR A 218 
AA1 3 GLY A 75  ? LYS A 85  ? GLY A 199 LYS A 209 
AA1 4 TYR A 63  ? ASP A 71  ? TYR A 187 ASP A 195 
AA1 5 THR A 50  ? GLU A 55  ? THR A 174 GLU A 179 
AA1 6 THR A 122 ? VAL A 123 ? THR A 246 VAL A 247 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O PHE A 99 ? O PHE A 223 N PHE A 91  ? N PHE A 215 
AA1 2 3 O TYR A 92 ? O TYR A 216 N ARG A 84  ? N ARG A 208 
AA1 3 4 O LYS A 79 ? O LYS A 203 N VAL A 67  ? N VAL A 191 
AA1 4 5 O SER A 68 ? O SER A 192 N THR A 50  ? N THR A 174 
AA1 5 6 N PHE A 51 ? N PHE A 175 O THR A 122 ? O THR A 246 
# 
_pdbx_entry_details.entry_id                   8VCG 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     238 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             33.73 
_pdbx_validate_torsion.psi             55.44 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     159 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.246 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       536 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.86 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 125 ? A MET 1  
2  1 Y 1 A GLY 126 ? A GLY 2  
3  1 Y 1 A SER 127 ? A SER 3  
4  1 Y 1 A SER 128 ? A SER 4  
5  1 Y 1 A HIS 129 ? A HIS 5  
6  1 Y 1 A HIS 130 ? A HIS 6  
7  1 Y 1 A HIS 131 ? A HIS 7  
8  1 Y 1 A HIS 132 ? A HIS 8  
9  1 Y 1 A HIS 133 ? A HIS 9  
10 1 Y 1 A HIS 134 ? A HIS 10 
11 1 Y 1 A GLY 135 ? A GLY 11 
12 1 Y 1 A LEU 136 ? A LEU 12 
13 1 Y 1 A VAL 137 ? A VAL 13 
14 1 Y 1 A PRO 138 ? A PRO 14 
15 1 Y 1 A ARG 139 ? A ARG 15 
16 1 Y 1 A GLY 140 ? A GLY 16 
17 1 Y 1 A SER 141 ? A SER 17 
18 1 Y 1 A HIS 142 ? A HIS 18 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
PTR N    N N N 290 
PTR CA   C N S 291 
PTR C    C N N 292 
PTR O    O N N 293 
PTR OXT  O N N 294 
PTR CB   C N N 295 
PTR CG   C Y N 296 
PTR CD1  C Y N 297 
PTR CD2  C Y N 298 
PTR CE1  C Y N 299 
PTR CE2  C Y N 300 
PTR CZ   C Y N 301 
PTR OH   O N N 302 
PTR P    P N N 303 
PTR O1P  O N N 304 
PTR O2P  O N N 305 
PTR O3P  O N N 306 
PTR H    H N N 307 
PTR H2   H N N 308 
PTR HA   H N N 309 
PTR HXT  H N N 310 
PTR HB2  H N N 311 
PTR HB3  H N N 312 
PTR HD1  H N N 313 
PTR HD2  H N N 314 
PTR HE1  H N N 315 
PTR HE2  H N N 316 
PTR HO2P H N N 317 
PTR HO3P H N N 318 
SER N    N N N 319 
SER CA   C N S 320 
SER C    C N N 321 
SER O    O N N 322 
SER CB   C N N 323 
SER OG   O N N 324 
SER OXT  O N N 325 
SER H    H N N 326 
SER H2   H N N 327 
SER HA   H N N 328 
SER HB2  H N N 329 
SER HB3  H N N 330 
SER HG   H N N 331 
SER HXT  H N N 332 
THR N    N N N 333 
THR CA   C N S 334 
THR C    C N N 335 
THR O    O N N 336 
THR CB   C N R 337 
THR OG1  O N N 338 
THR CG2  C N N 339 
THR OXT  O N N 340 
THR H    H N N 341 
THR H2   H N N 342 
THR HA   H N N 343 
THR HB   H N N 344 
THR HG1  H N N 345 
THR HG21 H N N 346 
THR HG22 H N N 347 
THR HG23 H N N 348 
THR HXT  H N N 349 
TRP N    N N N 350 
TRP CA   C N S 351 
TRP C    C N N 352 
TRP O    O N N 353 
TRP CB   C N N 354 
TRP CG   C Y N 355 
TRP CD1  C Y N 356 
TRP CD2  C Y N 357 
TRP NE1  N Y N 358 
TRP CE2  C Y N 359 
TRP CE3  C Y N 360 
TRP CZ2  C Y N 361 
TRP CZ3  C Y N 362 
TRP CH2  C Y N 363 
TRP OXT  O N N 364 
TRP H    H N N 365 
TRP H2   H N N 366 
TRP HA   H N N 367 
TRP HB2  H N N 368 
TRP HB3  H N N 369 
TRP HD1  H N N 370 
TRP HE1  H N N 371 
TRP HE3  H N N 372 
TRP HZ2  H N N 373 
TRP HZ3  H N N 374 
TRP HH2  H N N 375 
TRP HXT  H N N 376 
TYR N    N N N 377 
TYR CA   C N S 378 
TYR C    C N N 379 
TYR O    O N N 380 
TYR CB   C N N 381 
TYR CG   C Y N 382 
TYR CD1  C Y N 383 
TYR CD2  C Y N 384 
TYR CE1  C Y N 385 
TYR CE2  C Y N 386 
TYR CZ   C Y N 387 
TYR OH   O N N 388 
TYR OXT  O N N 389 
TYR H    H N N 390 
TYR H2   H N N 391 
TYR HA   H N N 392 
TYR HB2  H N N 393 
TYR HB3  H N N 394 
TYR HD1  H N N 395 
TYR HD2  H N N 396 
TYR HE1  H N N 397 
TYR HE2  H N N 398 
TYR HH   H N N 399 
TYR HXT  H N N 400 
VAL N    N N N 401 
VAL CA   C N S 402 
VAL C    C N N 403 
VAL O    O N N 404 
VAL CB   C N N 405 
VAL CG1  C N N 406 
VAL CG2  C N N 407 
VAL OXT  O N N 408 
VAL H    H N N 409 
VAL H2   H N N 410 
VAL HA   H N N 411 
VAL HB   H N N 412 
VAL HG11 H N N 413 
VAL HG12 H N N 414 
VAL HG13 H N N 415 
VAL HG21 H N N 416 
VAL HG22 H N N 417 
VAL HG23 H N N 418 
VAL HXT  H N N 419 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
PTR N   CA   sing N N 277 
PTR N   H    sing N N 278 
PTR N   H2   sing N N 279 
PTR CA  C    sing N N 280 
PTR CA  CB   sing N N 281 
PTR CA  HA   sing N N 282 
PTR C   O    doub N N 283 
PTR C   OXT  sing N N 284 
PTR OXT HXT  sing N N 285 
PTR CB  CG   sing N N 286 
PTR CB  HB2  sing N N 287 
PTR CB  HB3  sing N N 288 
PTR CG  CD1  doub Y N 289 
PTR CG  CD2  sing Y N 290 
PTR CD1 CE1  sing Y N 291 
PTR CD1 HD1  sing N N 292 
PTR CD2 CE2  doub Y N 293 
PTR CD2 HD2  sing N N 294 
PTR CE1 CZ   doub Y N 295 
PTR CE1 HE1  sing N N 296 
PTR CE2 CZ   sing Y N 297 
PTR CE2 HE2  sing N N 298 
PTR CZ  OH   sing N N 299 
PTR OH  P    sing N N 300 
PTR P   O1P  doub N N 301 
PTR P   O2P  sing N N 302 
PTR P   O3P  sing N N 303 
PTR O2P HO2P sing N N 304 
PTR O3P HO3P sing N N 305 
SER N   CA   sing N N 306 
SER N   H    sing N N 307 
SER N   H2   sing N N 308 
SER CA  C    sing N N 309 
SER CA  CB   sing N N 310 
SER CA  HA   sing N N 311 
SER C   O    doub N N 312 
SER C   OXT  sing N N 313 
SER CB  OG   sing N N 314 
SER CB  HB2  sing N N 315 
SER CB  HB3  sing N N 316 
SER OG  HG   sing N N 317 
SER OXT HXT  sing N N 318 
THR N   CA   sing N N 319 
THR N   H    sing N N 320 
THR N   H2   sing N N 321 
THR CA  C    sing N N 322 
THR CA  CB   sing N N 323 
THR CA  HA   sing N N 324 
THR C   O    doub N N 325 
THR C   OXT  sing N N 326 
THR CB  OG1  sing N N 327 
THR CB  CG2  sing N N 328 
THR CB  HB   sing N N 329 
THR OG1 HG1  sing N N 330 
THR CG2 HG21 sing N N 331 
THR CG2 HG22 sing N N 332 
THR CG2 HG23 sing N N 333 
THR OXT HXT  sing N N 334 
TRP N   CA   sing N N 335 
TRP N   H    sing N N 336 
TRP N   H2   sing N N 337 
TRP CA  C    sing N N 338 
TRP CA  CB   sing N N 339 
TRP CA  HA   sing N N 340 
TRP C   O    doub N N 341 
TRP C   OXT  sing N N 342 
TRP CB  CG   sing N N 343 
TRP CB  HB2  sing N N 344 
TRP CB  HB3  sing N N 345 
TRP CG  CD1  doub Y N 346 
TRP CG  CD2  sing Y N 347 
TRP CD1 NE1  sing Y N 348 
TRP CD1 HD1  sing N N 349 
TRP CD2 CE2  doub Y N 350 
TRP CD2 CE3  sing Y N 351 
TRP NE1 CE2  sing Y N 352 
TRP NE1 HE1  sing N N 353 
TRP CE2 CZ2  sing Y N 354 
TRP CE3 CZ3  doub Y N 355 
TRP CE3 HE3  sing N N 356 
TRP CZ2 CH2  doub Y N 357 
TRP CZ2 HZ2  sing N N 358 
TRP CZ3 CH2  sing Y N 359 
TRP CZ3 HZ3  sing N N 360 
TRP CH2 HH2  sing N N 361 
TRP OXT HXT  sing N N 362 
TYR N   CA   sing N N 363 
TYR N   H    sing N N 364 
TYR N   H2   sing N N 365 
TYR CA  C    sing N N 366 
TYR CA  CB   sing N N 367 
TYR CA  HA   sing N N 368 
TYR C   O    doub N N 369 
TYR C   OXT  sing N N 370 
TYR CB  CG   sing N N 371 
TYR CB  HB2  sing N N 372 
TYR CB  HB3  sing N N 373 
TYR CG  CD1  doub Y N 374 
TYR CG  CD2  sing Y N 375 
TYR CD1 CE1  sing Y N 376 
TYR CD1 HD1  sing N N 377 
TYR CD2 CE2  doub Y N 378 
TYR CD2 HD2  sing N N 379 
TYR CE1 CZ   doub Y N 380 
TYR CE1 HE1  sing N N 381 
TYR CE2 CZ   sing Y N 382 
TYR CE2 HE2  sing N N 383 
TYR CZ  OH   sing N N 384 
TYR OH  HH   sing N N 385 
TYR OXT HXT  sing N N 386 
VAL N   CA   sing N N 387 
VAL N   H    sing N N 388 
VAL N   H2   sing N N 389 
VAL CA  C    sing N N 390 
VAL CA  CB   sing N N 391 
VAL CA  HA   sing N N 392 
VAL C   O    doub N N 393 
VAL C   OXT  sing N N 394 
VAL CB  CG1  sing N N 395 
VAL CB  CG2  sing N N 396 
VAL CB  HB   sing N N 397 
VAL CG1 HG11 sing N N 398 
VAL CG1 HG12 sing N N 399 
VAL CG1 HG13 sing N N 400 
VAL CG2 HG21 sing N N 401 
VAL CG2 HG22 sing N N 402 
VAL CG2 HG23 sing N N 403 
VAL OXT HXT  sing N N 404 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Cancer Institute (NIH/NCI)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           CA243486-01A1 
_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   4F59 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8VCG 
_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]   0.014777 
_atom_sites.fract_transf_matrix[1][2]   0.008531 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.017063 
_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]   0.021386 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
P 
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   . MET A 1 19  ? -15.074 20.513 -20.569 1.00 74.99  ? 143 MET A N   1 
ATOM   2    C CA  . MET A 1 19  ? -15.001 20.943 -19.136 1.00 111.09 ? 143 MET A CA  1 
ATOM   3    C C   . MET A 1 19  ? -13.572 20.778 -18.602 1.00 55.56  ? 143 MET A C   1 
ATOM   4    O O   . MET A 1 19  ? -12.944 19.733 -18.885 1.00 55.71  ? 143 MET A O   1 
ATOM   5    C CB  . MET A 1 19  ? -15.955 20.128 -18.253 1.00 77.68  ? 143 MET A CB  1 
ATOM   6    C CG  . MET A 1 19  ? -15.860 20.472 -16.764 1.00 102.36 ? 143 MET A CG  1 
ATOM   7    S SD  . MET A 1 19  ? -17.438 20.381 -15.868 1.00 86.22  ? 143 MET A SD  1 
ATOM   8    C CE  . MET A 1 19  ? -18.040 22.058 -16.090 1.00 68.52  ? 143 MET A CE  1 
ATOM   9    N N   . ASP A 1 20  ? -13.115 21.743 -17.797 1.00 55.51  ? 144 ASP A N   1 
ATOM   10   C CA  . ASP A 1 20  ? -11.821 21.684 -17.072 1.00 51.49  ? 144 ASP A CA  1 
ATOM   11   C C   . ASP A 1 20  ? -11.766 20.314 -16.372 1.00 40.85  ? 144 ASP A C   1 
ATOM   12   O O   . ASP A 1 20  ? -12.804 19.895 -15.832 1.00 39.18  ? 144 ASP A O   1 
ATOM   13   C CB  . ASP A 1 20  ? -11.661 22.802 -16.017 1.00 46.44  ? 144 ASP A CB  1 
ATOM   14   C CG  . ASP A 1 20  ? -11.505 24.197 -16.602 1.00 114.70 ? 144 ASP A CG  1 
ATOM   15   O OD1 . ASP A 1 20  ? -10.859 24.302 -17.681 1.00 54.80  ? 144 ASP A OD1 1 
ATOM   16   O OD2 . ASP A 1 20  ? -12.013 25.163 -15.965 1.00 59.36  ? 144 ASP A OD2 1 
ATOM   17   N N   . SER A 1 21  ? -10.607 19.653 -16.371 1.00 38.83  ? 145 SER A N   1 
ATOM   18   C CA  . SER A 1 21  ? -10.337 18.521 -15.463 1.00 37.90  ? 145 SER A CA  1 
ATOM   19   C C   . SER A 1 21  ? -10.452 19.063 -14.025 1.00 31.06  ? 145 SER A C   1 
ATOM   20   O O   . SER A 1 21  ? -10.095 20.242 -13.799 1.00 33.53  ? 145 SER A O   1 
ATOM   21   C CB  . SER A 1 21  ? -8.999  17.906 -15.725 1.00 41.06  ? 145 SER A CB  1 
ATOM   22   O OG  . SER A 1 21  ? -7.977  18.740 -15.185 1.00 52.40  ? 145 SER A OG  1 
ATOM   23   N N   . ILE A 1 22  ? -10.822 18.207 -13.094 1.00 30.65  ? 146 ILE A N   1 
ATOM   24   C CA  . ILE A 1 22  ? -10.938 18.606 -11.663 1.00 30.29  ? 146 ILE A CA  1 
ATOM   25   C C   . ILE A 1 22  ? -9.559  19.007 -11.138 1.00 28.79  ? 146 ILE A C   1 
ATOM   26   O O   . ILE A 1 22  ? -9.512  19.882 -10.301 1.00 29.49  ? 146 ILE A O   1 
ATOM   27   C CB  . ILE A 1 22  ? -11.636 17.531 -10.823 1.00 32.23  ? 146 ILE A CB  1 
ATOM   28   C CG1 . ILE A 1 22  ? -10.897 16.194 -10.852 1.00 34.96  ? 146 ILE A CG1 1 
ATOM   29   C CG2 . ILE A 1 22  ? -13.091 17.412 -11.296 1.00 35.72  ? 146 ILE A CG2 1 
ATOM   30   C CD1 . ILE A 1 22  ? -11.493 15.167 -9.893  1.00 38.03  ? 146 ILE A CD1 1 
ATOM   31   N N   . GLN A 1 23  ? -8.494  18.452 -11.696 1.00 29.35  ? 147 GLN A N   1 
ATOM   32   C CA  . GLN A 1 23  ? -7.127  18.754 -11.205 1.00 30.52  ? 147 GLN A CA  1 
ATOM   33   C C   . GLN A 1 23  ? -6.739  20.205 -11.531 1.00 26.36  ? 147 GLN A C   1 
ATOM   34   O O   . GLN A 1 23  ? -5.835  20.714 -10.877 1.00 32.49  ? 147 GLN A O   1 
ATOM   35   C CB  . GLN A 1 23  ? -6.172  17.715 -11.786 1.00 40.84  ? 147 GLN A CB  1 
ATOM   36   C CG  . GLN A 1 23  ? -6.420  16.310 -11.247 1.00 54.66  ? 147 GLN A CG  1 
ATOM   37   C CD  . GLN A 1 23  ? -7.512  15.555 -11.967 1.00 53.17  ? 147 GLN A CD  1 
ATOM   38   O OE1 . GLN A 1 23  ? -7.941  14.453 -11.373 1.00 56.81  ? 147 GLN A OE1 1 
ATOM   39   N NE2 . GLN A 1 23  ? -7.966  15.941 -13.040 1.00 38.05  ? 147 GLN A NE2 1 
ATOM   40   N N   . ALA A 1 24  ? -7.433  20.846 -12.474 1.00 27.34  ? 148 ALA A N   1 
ATOM   41   C CA  . ALA A 1 24  ? -7.166  22.259 -12.821 1.00 28.27  ? 148 ALA A CA  1 
ATOM   42   C C   . ALA A 1 24  ? -7.895  23.243 -11.873 1.00 29.94  ? 148 ALA A C   1 
ATOM   43   O O   . ALA A 1 24  ? -7.612  24.470 -11.943 1.00 32.42  ? 148 ALA A O   1 
ATOM   44   C CB  . ALA A 1 24  ? -7.540  22.529 -14.259 1.00 37.45  ? 148 ALA A CB  1 
ATOM   45   N N   . GLU A 1 25  ? -8.804  22.757 -11.029 1.00 27.77  ? 149 GLU A N   1 
ATOM   46   C CA  . GLU A 1 25  ? -9.631  23.584 -10.127 1.00 23.82  ? 149 GLU A CA  1 
ATOM   47   C C   . GLU A 1 25  ? -8.852  23.939 -8.846  1.00 24.28  ? 149 GLU A C   1 
ATOM   48   O O   . GLU A 1 25  ? -8.282  23.004 -8.239  1.00 24.27  ? 149 GLU A O   1 
ATOM   49   C CB  . GLU A 1 25  ? -10.913 22.861 -9.740  1.00 24.29  ? 149 GLU A CB  1 
ATOM   50   C CG  . GLU A 1 25  ? -11.790 22.517 -10.946 1.00 25.58  ? 149 GLU A CG  1 
ATOM   51   C CD  . GLU A 1 25  ? -12.465 23.676 -11.658 1.00 33.69  ? 149 GLU A CD  1 
ATOM   52   O OE1 . GLU A 1 25  ? -13.152 23.414 -12.667 1.00 39.27  ? 149 GLU A OE1 1 
ATOM   53   O OE2 . GLU A 1 25  ? -12.299 24.843 -11.215 1.00 36.70  ? 149 GLU A OE2 1 
ATOM   54   N N   . GLU A 1 26  ? -8.890  25.221 -8.424  1.00 25.16  ? 150 GLU A N   1 
ATOM   55   C CA  . GLU A 1 26  ? -8.047  25.684 -7.295  1.00 26.13  ? 150 GLU A CA  1 
ATOM   56   C C   . GLU A 1 26  ? -8.516  25.048 -5.995  1.00 25.47  ? 150 GLU A C   1 
ATOM   57   O O   . GLU A 1 26  ? -7.721  25.014 -5.017  1.00 27.02  ? 150 GLU A O   1 
ATOM   58   C CB  . GLU A 1 26  ? -8.050  27.207 -7.177  1.00 30.44  ? 150 GLU A CB  1 
ATOM   59   C CG  . GLU A 1 26  ? -7.407  27.896 -8.341  1.00 43.70  ? 150 GLU A CG  1 
ATOM   60   C CD  . GLU A 1 26  ? -7.312  29.407 -8.163  1.00 54.30  ? 150 GLU A CD  1 
ATOM   61   O OE1 . GLU A 1 26  ? -8.097  30.121 -8.843  1.00 62.64  ? 150 GLU A OE1 1 
ATOM   62   O OE2 . GLU A 1 26  ? -6.523  29.831 -7.261  1.00 51.57  ? 150 GLU A OE2 1 
ATOM   63   N N   . TRP A 1 27  ? -9.738  24.508 -5.974  1.00 21.14  ? 151 TRP A N   1 
ATOM   64   C CA  . TRP A 1 27  ? -10.322 23.927 -4.739  1.00 22.63  ? 151 TRP A CA  1 
ATOM   65   C C   . TRP A 1 27  ? -10.124 22.413 -4.712  1.00 23.53  ? 151 TRP A C   1 
ATOM   66   O O   . TRP A 1 27  ? -10.530 21.822 -3.748  1.00 22.87  ? 151 TRP A O   1 
ATOM   67   C CB  . TRP A 1 27  ? -11.804 24.283 -4.588  1.00 23.19  ? 151 TRP A CB  1 
ATOM   68   C CG  . TRP A 1 27  ? -12.594 24.237 -5.858  1.00 21.44  ? 151 TRP A CG  1 
ATOM   69   C CD1 . TRP A 1 27  ? -12.979 25.309 -6.605  1.00 24.71  ? 151 TRP A CD1 1 
ATOM   70   C CD2 . TRP A 1 27  ? -13.128 23.068 -6.522  1.00 22.33  ? 151 TRP A CD2 1 
ATOM   71   N NE1 . TRP A 1 27  ? -13.721 24.900 -7.669  1.00 24.43  ? 151 TRP A NE1 1 
ATOM   72   C CE2 . TRP A 1 27  ? -13.809 23.532 -7.664  1.00 23.73  ? 151 TRP A CE2 1 
ATOM   73   C CE3 . TRP A 1 27  ? -13.066 21.683 -6.303  1.00 23.90  ? 151 TRP A CE3 1 
ATOM   74   C CZ2 . TRP A 1 27  ? -14.443 22.674 -8.560  1.00 23.84  ? 151 TRP A CZ2 1 
ATOM   75   C CZ3 . TRP A 1 27  ? -13.721 20.830 -7.169  1.00 25.08  ? 151 TRP A CZ3 1 
ATOM   76   C CH2 . TRP A 1 27  ? -14.357 21.313 -8.308  1.00 24.02  ? 151 TRP A CH2 1 
ATOM   77   N N   . TYR A 1 28  ? -9.553  21.801 -5.740  1.00 21.59  ? 152 TYR A N   1 
ATOM   78   C CA  . TYR A 1 28  ? -9.399  20.334 -5.754  1.00 22.26  ? 152 TYR A CA  1 
ATOM   79   C C   . TYR A 1 28  ? -8.009  19.943 -5.236  1.00 22.72  ? 152 TYR A C   1 
ATOM   80   O O   . TYR A 1 28  ? -6.977  20.340 -5.857  1.00 24.56  ? 152 TYR A O   1 
ATOM   81   C CB  . TYR A 1 28  ? -9.587  19.771 -7.155  1.00 22.33  ? 152 TYR A CB  1 
ATOM   82   C CG  . TYR A 1 28  ? -9.561  18.259 -7.126  1.00 23.26  ? 152 TYR A CG  1 
ATOM   83   C CD1 . TYR A 1 28  ? -10.552 17.539 -6.462  1.00 24.98  ? 152 TYR A CD1 1 
ATOM   84   C CD2 . TYR A 1 28  ? -8.479  17.554 -7.622  1.00 23.75  ? 152 TYR A CD2 1 
ATOM   85   C CE1 . TYR A 1 28  ? -10.518 16.160 -6.358  1.00 28.48  ? 152 TYR A CE1 1 
ATOM   86   C CE2 . TYR A 1 28  ? -8.436  16.158 -7.541  1.00 25.66  ? 152 TYR A CE2 1 
ATOM   87   C CZ  . TYR A 1 28  ? -9.454  15.454 -6.918  1.00 27.92  ? 152 TYR A CZ  1 
ATOM   88   O OH  . TYR A 1 28  ? -9.328  14.068 -6.853  1.00 33.16  ? 152 TYR A OH  1 
ATOM   89   N N   . PHE A 1 29  ? -7.971  19.158 -4.157  1.00 22.66  ? 153 PHE A N   1 
ATOM   90   C CA  . PHE A 1 29  ? -6.687  18.754 -3.533  1.00 24.60  ? 153 PHE A CA  1 
ATOM   91   C C   . PHE A 1 29  ? -6.437  17.242 -3.544  1.00 23.08  ? 153 PHE A C   1 
ATOM   92   O O   . PHE A 1 29  ? -5.505  16.773 -2.883  1.00 25.65  ? 153 PHE A O   1 
ATOM   93   C CB  . PHE A 1 29  ? -6.589  19.369 -2.133  1.00 24.22  ? 153 PHE A CB  1 
ATOM   94   C CG  . PHE A 1 29  ? -6.206  20.812 -2.199  1.00 32.08  ? 153 PHE A CG  1 
ATOM   95   C CD1 . PHE A 1 29  ? -7.157  21.810 -2.321  1.00 23.79  ? 153 PHE A CD1 1 
ATOM   96   C CD2 . PHE A 1 29  ? -4.871  21.139 -2.333  1.00 39.86  ? 153 PHE A CD2 1 
ATOM   97   C CE1 . PHE A 1 29  ? -6.776  23.139 -2.378  1.00 31.32  ? 153 PHE A CE1 1 
ATOM   98   C CE2 . PHE A 1 29  ? -4.495  22.468 -2.458  1.00 40.05  ? 153 PHE A CE2 1 
ATOM   99   C CZ  . PHE A 1 29  ? -5.443  23.460 -2.436  1.00 45.02  ? 153 PHE A CZ  1 
ATOM   100  N N   . GLY A 1 30  ? -7.190  16.495 -4.324  1.00 21.70  ? 154 GLY A N   1 
ATOM   101  C CA  . GLY A 1 30  ? -6.851  15.087 -4.639  1.00 24.09  ? 154 GLY A CA  1 
ATOM   102  C C   . GLY A 1 30  ? -6.752  14.229 -3.383  1.00 24.79  ? 154 GLY A C   1 
ATOM   103  O O   . GLY A 1 30  ? -7.692  14.220 -2.586  1.00 25.54  ? 154 GLY A O   1 
ATOM   104  N N   . LYS A 1 31  ? -5.599  13.596 -3.179  1.00 24.23  ? 155 LYS A N   1 
ATOM   105  C CA  . LYS A 1 31  ? -5.370  12.555 -2.164  1.00 26.28  ? 155 LYS A CA  1 
ATOM   106  C C   . LYS A 1 31  ? -4.938  13.145 -0.818  1.00 27.45  ? 155 LYS A C   1 
ATOM   107  O O   . LYS A 1 31  ? -4.458  12.382 0.035   1.00 31.61  ? 155 LYS A O   1 
ATOM   108  C CB  . LYS A 1 31  ? -4.361  11.551 -2.719  1.00 30.47  ? 155 LYS A CB  1 
ATOM   109  C CG  . LYS A 1 31  ? -4.922  10.661 -3.826  1.00 30.13  ? 155 LYS A CG  1 
ATOM   110  C CD  . LYS A 1 31  ? -3.934  9.622  -4.322  1.00 51.18  ? 155 LYS A CD  1 
ATOM   111  C CE  . LYS A 1 31  ? -4.389  8.954  -5.608  1.00 73.06  ? 155 LYS A CE  1 
ATOM   112  N NZ  . LYS A 1 31  ? -5.641  8.183  -5.411  1.00 85.05  ? 155 LYS A NZ  1 
ATOM   113  N N   . ILE A 1 32  ? -5.105  14.445 -0.603  1.00 25.62  ? 156 ILE A N   1 
ATOM   114  C CA  . ILE A 1 32  ? -4.944  15.047 0.744   1.00 26.44  ? 156 ILE A CA  1 
ATOM   115  C C   . ILE A 1 32  ? -5.812  14.235 1.712   1.00 29.23  ? 156 ILE A C   1 
ATOM   116  O O   . ILE A 1 32  ? -6.959  13.865 1.382   1.00 27.83  ? 156 ILE A O   1 
ATOM   117  C CB  . ILE A 1 32  ? -5.282  16.552 0.763   1.00 28.40  ? 156 ILE A CB  1 
ATOM   118  C CG1 . ILE A 1 32  ? -4.893  17.219 2.084   1.00 31.25  ? 156 ILE A CG1 1 
ATOM   119  C CG2 . ILE A 1 32  ? -6.738  16.791 0.415   1.00 28.00  ? 156 ILE A CG2 1 
ATOM   120  C CD1 . ILE A 1 32  ? -5.044  18.753 2.060   1.00 32.39  ? 156 ILE A CD1 1 
ATOM   121  N N   . THR A 1 33  ? -5.267  13.910 2.864   1.00 30.00  ? 157 THR A N   1 
ATOM   122  C CA  . THR A 1 33  ? -6.012  13.137 3.865   1.00 26.26  ? 157 THR A CA  1 
ATOM   123  C C   . THR A 1 33  ? -7.061  14.005 4.567   1.00 28.34  ? 157 THR A C   1 
ATOM   124  O O   . THR A 1 33  ? -7.026  15.259 4.526   1.00 27.87  ? 157 THR A O   1 
ATOM   125  C CB  . THR A 1 33  ? -5.083  12.489 4.889   1.00 36.04  ? 157 THR A CB  1 
ATOM   126  O OG1 . THR A 1 33  ? -4.488  13.532 5.660   1.00 33.30  ? 157 THR A OG1 1 
ATOM   127  C CG2 . THR A 1 33  ? -4.018  11.644 4.242   1.00 34.01  ? 157 THR A CG2 1 
ATOM   128  N N   . ARG A 1 34  ? -7.979  13.343 5.264   1.00 28.46  ? 158 ARG A N   1 
ATOM   129  C CA  . ARG A 1 34  ? -8.982  14.085 6.067   1.00 25.74  ? 158 ARG A CA  1 
ATOM   130  C C   . ARG A 1 34  ? -8.240  14.888 7.141   1.00 34.26  ? 158 ARG A C   1 
ATOM   131  O O   . ARG A 1 34  ? -8.573  16.063 7.340   1.00 29.36  ? 158 ARG A O   1 
ATOM   132  C CB  . ARG A 1 34  ? -9.964  13.083 6.678   1.00 28.17  ? 158 ARG A CB  1 
ATOM   133  C CG  . ARG A 1 34  ? -10.998 13.685 7.616   1.00 30.95  ? 158 ARG A CG  1 
ATOM   134  C CD  . ARG A 1 34  ? -11.856 12.580 8.200   1.00 38.42  ? 158 ARG A CD  1 
ATOM   135  N NE  . ARG A 1 34  ? -12.912 13.083 9.062   1.00 45.97  ? 158 ARG A NE  1 
ATOM   136  C CZ  . ARG A 1 34  ? -14.209 12.910 8.840   1.00 61.54  ? 158 ARG A CZ  1 
ATOM   137  N NH1 . ARG A 1 34  ? -15.090 13.298 9.744   1.00 40.35  ? 158 ARG A NH1 1 
ATOM   138  N NH2 . ARG A 1 34  ? -14.621 12.352 7.714   1.00 41.20  ? 158 ARG A NH2 1 
ATOM   139  N N   . ARG A 1 35  ? -7.256  14.261 7.786   1.00 27.80  ? 159 ARG A N   1 
ATOM   140  C CA  . ARG A 1 35  ? -6.492  14.929 8.871   1.00 33.12  ? 159 ARG A CA  1 
ATOM   141  C C   . ARG A 1 35  ? -5.748  16.153 8.323   1.00 31.47  ? 159 ARG A C   1 
ATOM   142  O O   . ARG A 1 35  ? -5.759  17.194 8.990   1.00 33.80  ? 159 ARG A O   1 
ATOM   143  C CB  . ARG A 1 35  ? -5.535  13.904 9.488   1.00 48.28  ? 159 ARG A CB  1 
ATOM   144  C CG  . ARG A 1 35  ? -5.068  14.226 10.900  1.00 77.50  ? 159 ARG A CG  1 
ATOM   145  C CD  . ARG A 1 35  ? -4.221  13.080 11.422  1.00 104.98 ? 159 ARG A CD  1 
ATOM   146  N NE  . ARG A 1 35  ? -3.893  13.136 12.840  1.00 100.94 ? 159 ARG A NE  1 
ATOM   147  C CZ  . ARG A 1 35  ? -4.314  14.069 13.687  1.00 127.16 ? 159 ARG A CZ  1 
ATOM   148  N NH1 . ARG A 1 35  ? -5.607  14.241 13.896  1.00 106.26 ? 159 ARG A NH1 1 
ATOM   149  N NH2 . ARG A 1 35  ? -3.438  14.809 14.343  1.00 96.95  ? 159 ARG A NH2 1 
ATOM   150  N N   . GLU A 1 36  ? -5.127  16.018 7.152   1.00 30.07  ? 160 GLU A N   1 
ATOM   151  C CA  . GLU A 1 36  ? -4.376  17.145 6.546   1.00 29.76  ? 160 GLU A CA  1 
ATOM   152  C C   . GLU A 1 36  ? -5.359  18.263 6.174   1.00 27.82  ? 160 GLU A C   1 
ATOM   153  O O   . GLU A 1 36  ? -5.034  19.435 6.394   1.00 33.44  ? 160 GLU A O   1 
ATOM   154  C CB  . GLU A 1 36  ? -3.583  16.650 5.339   1.00 36.68  ? 160 GLU A CB  1 
ATOM   155  C CG  . GLU A 1 36  ? -2.444  15.718 5.710   1.00 42.53  ? 160 GLU A CG  1 
ATOM   156  C CD  . GLU A 1 36  ? -1.898  14.848 4.590   1.00 75.62  ? 160 GLU A CD  1 
ATOM   157  O OE1 . GLU A 1 36  ? -2.441  14.907 3.469   1.00 40.35  ? 160 GLU A OE1 1 
ATOM   158  O OE2 . GLU A 1 36  ? -0.923  14.115 4.844   1.00 66.94  ? 160 GLU A OE2 1 
ATOM   159  N N   . SER A 1 37  ? -6.523  17.885 5.638   1.00 28.43  ? 161 SER A N   1 
ATOM   160  C CA  A SER A 1 37  ? -7.554  18.892 5.281   0.50 25.19  ? 161 SER A CA  1 
ATOM   161  C CA  B SER A 1 37  ? -7.585  18.867 5.301   0.50 25.66  ? 161 SER A CA  1 
ATOM   162  C C   . SER A 1 37  ? -8.010  19.635 6.543   1.00 27.70  ? 161 SER A C   1 
ATOM   163  O O   . SER A 1 37  ? -8.192  20.838 6.446   1.00 29.60  ? 161 SER A O   1 
ATOM   164  C CB  A SER A 1 37  ? -8.719  18.297 4.489   0.50 24.28  ? 161 SER A CB  1 
ATOM   165  C CB  B SER A 1 37  ? -8.781  18.210 4.681   0.50 26.58  ? 161 SER A CB  1 
ATOM   166  O OG  A SER A 1 37  ? -9.612  17.555 5.310   0.50 27.66  ? 161 SER A OG  1 
ATOM   167  O OG  B SER A 1 37  ? -8.386  17.511 3.525   0.50 27.93  ? 161 SER A OG  1 
ATOM   168  N N   . GLU A 1 38  ? -8.178  18.942 7.663   1.00 28.91  ? 162 GLU A N   1 
ATOM   169  C CA  . GLU A 1 38  ? -8.602  19.640 8.904   1.00 33.01  ? 162 GLU A CA  1 
ATOM   170  C C   . GLU A 1 38  ? -7.524  20.621 9.349   1.00 38.24  ? 162 GLU A C   1 
ATOM   171  O O   . GLU A 1 38  ? -7.898  21.719 9.797   1.00 36.42  ? 162 GLU A O   1 
ATOM   172  C CB  . GLU A 1 38  ? -8.888  18.669 10.044  1.00 38.60  ? 162 GLU A CB  1 
ATOM   173  C CG  . GLU A 1 38  ? -10.061 17.777 9.756   1.00 39.74  ? 162 GLU A CG  1 
ATOM   174  C CD  . GLU A 1 38  ? -10.752 17.209 10.981  1.00 63.71  ? 162 GLU A CD  1 
ATOM   175  O OE1 . GLU A 1 38  ? -11.826 16.584 10.813  1.00 45.54  ? 162 GLU A OE1 1 
ATOM   176  O OE2 . GLU A 1 38  ? -10.239 17.422 12.108  1.00 68.94  ? 162 GLU A OE2 1 
ATOM   177  N N   . ARG A 1 39  ? -6.248  20.207 9.301   1.00 35.63  ? 163 ARG A N   1 
ATOM   178  C CA  . ARG A 1 39  ? -5.112  21.056 9.769   1.00 39.53  ? 163 ARG A CA  1 
ATOM   179  C C   . ARG A 1 39  ? -5.211  22.392 9.011   1.00 42.10  ? 163 ARG A C   1 
ATOM   180  O O   . ARG A 1 39  ? -5.168  23.470 9.655   1.00 49.39  ? 163 ARG A O   1 
ATOM   181  C CB  . ARG A 1 39  ? -3.795  20.295 9.557   1.00 49.99  ? 163 ARG A CB  1 
ATOM   182  C CG  . ARG A 1 39  ? -2.626  20.728 10.437  1.00 79.32  ? 163 ARG A CG  1 
ATOM   183  C CD  . ARG A 1 39  ? -1.320  20.785 9.648   1.00 77.58  ? 163 ARG A CD  1 
ATOM   184  N NE  . ARG A 1 39  ? -1.307  21.975 8.796   1.00 135.03 ? 163 ARG A NE  1 
ATOM   185  C CZ  . ARG A 1 39  ? -0.590  22.131 7.682   1.00 111.10 ? 163 ARG A CZ  1 
ATOM   186  N NH1 . ARG A 1 39  ? 0.199   21.162 7.248   1.00 109.84 ? 163 ARG A NH1 1 
ATOM   187  N NH2 . ARG A 1 39  ? -0.685  23.255 6.989   1.00 87.83  ? 163 ARG A NH2 1 
ATOM   188  N N   . LEU A 1 40  ? -5.422  22.314 7.696   1.00 36.51  ? 164 LEU A N   1 
ATOM   189  C CA  . LEU A 1 40  ? -5.456  23.489 6.782   1.00 37.19  ? 164 LEU A CA  1 
ATOM   190  C C   . LEU A 1 40  ? -6.691  24.334 7.081   1.00 38.95  ? 164 LEU A C   1 
ATOM   191  O O   . LEU A 1 40  ? -6.584  25.567 7.285   1.00 37.55  ? 164 LEU A O   1 
ATOM   192  C CB  . LEU A 1 40  ? -5.519  23.035 5.325   1.00 41.31  ? 164 LEU A CB  1 
ATOM   193  C CG  . LEU A 1 40  ? -4.225  22.698 4.611   1.00 65.19  ? 164 LEU A CG  1 
ATOM   194  C CD1 . LEU A 1 40  ? -4.576  22.271 3.198   1.00 54.20  ? 164 LEU A CD1 1 
ATOM   195  C CD2 . LEU A 1 40  ? -3.270  23.891 4.602   1.00 83.77  ? 164 LEU A CD2 1 
ATOM   196  N N   . LEU A 1 41  ? -7.853  23.705 7.102   1.00 29.80  ? 165 LEU A N   1 
ATOM   197  C CA  . LEU A 1 41  ? -9.120  24.463 7.151   1.00 34.07  ? 165 LEU A CA  1 
ATOM   198  C C   . LEU A 1 41  ? -9.407  25.051 8.542   1.00 34.32  ? 165 LEU A C   1 
ATOM   199  O O   . LEU A 1 41  ? -10.195 26.014 8.597   1.00 34.83  ? 165 LEU A O   1 
ATOM   200  C CB  . LEU A 1 41  ? -10.233 23.529 6.706   1.00 29.76  ? 165 LEU A CB  1 
ATOM   201  C CG  . LEU A 1 41  ? -10.193 23.163 5.230   1.00 26.82  ? 165 LEU A CG  1 
ATOM   202  C CD1 . LEU A 1 41  ? -11.194 22.085 4.962   1.00 28.34  ? 165 LEU A CD1 1 
ATOM   203  C CD2 . LEU A 1 41  ? -10.500 24.350 4.341   1.00 30.90  ? 165 LEU A CD2 1 
ATOM   204  N N   . LEU A 1 42  ? -8.780  24.526 9.605   1.00 32.50  ? 166 LEU A N   1 
ATOM   205  C CA  . LEU A 1 42  ? -8.974  25.025 11.011  1.00 43.22  ? 166 LEU A CA  1 
ATOM   206  C C   . LEU A 1 42  ? -8.233  26.355 11.257  1.00 48.07  ? 166 LEU A C   1 
ATOM   207  O O   . LEU A 1 42  ? -8.293  26.868 12.393  1.00 38.41  ? 166 LEU A O   1 
ATOM   208  C CB  . LEU A 1 42  ? -8.501  23.961 12.007  1.00 40.39  ? 166 LEU A CB  1 
ATOM   209  C CG  . LEU A 1 42  ? -9.464  22.812 12.267  1.00 39.82  ? 166 LEU A CG  1 
ATOM   210  C CD1 . LEU A 1 42  ? -8.829  21.749 13.145  1.00 48.75  ? 166 LEU A CD1 1 
ATOM   211  C CD2 . LEU A 1 42  ? -10.737 23.307 12.914  1.00 42.28  ? 166 LEU A CD2 1 
ATOM   212  N N   . ASN A 1 43  ? -7.565  26.920 10.261  1.00 33.93  ? 167 ASN A N   1 
ATOM   213  C CA  . ASN A 1 43  ? -6.900  28.251 10.359  1.00 37.80  ? 167 ASN A CA  1 
ATOM   214  C C   . ASN A 1 43  ? -7.922  29.319 10.805  1.00 39.19  ? 167 ASN A C   1 
ATOM   215  O O   . ASN A 1 43  ? -8.941  29.495 10.095  1.00 36.53  ? 167 ASN A O   1 
ATOM   216  C CB  . ASN A 1 43  ? -6.247  28.598 9.020   1.00 41.91  ? 167 ASN A CB  1 
ATOM   217  C CG  . ASN A 1 43  ? -5.355  29.818 9.071   1.00 69.57  ? 167 ASN A CG  1 
ATOM   218  O OD1 . ASN A 1 43  ? -5.588  30.734 9.842   1.00 46.17  ? 167 ASN A OD1 1 
ATOM   219  N ND2 . ASN A 1 43  ? -4.348  29.850 8.222   1.00 67.41  ? 167 ASN A ND2 1 
ATOM   220  N N   . ALA A 1 44  ? -7.699  29.985 11.948  1.00 36.02  ? 168 ALA A N   1 
ATOM   221  C CA  . ALA A 1 44  ? -8.684  30.968 12.466  1.00 35.73  ? 168 ALA A CA  1 
ATOM   222  C C   . ALA A 1 44  ? -8.842  32.150 11.494  1.00 35.65  ? 168 ALA A C   1 
ATOM   223  O O   . ALA A 1 44  ? -9.888  32.820 11.558  1.00 33.81  ? 168 ALA A O   1 
ATOM   224  C CB  . ALA A 1 44  ? -8.324  31.435 13.865  1.00 45.61  ? 168 ALA A CB  1 
ATOM   225  N N   . GLU A 1 45  ? -7.927  32.363 10.544  1.00 32.79  ? 169 GLU A N   1 
ATOM   226  C CA  . GLU A 1 45  ? -8.081  33.464 9.548   1.00 36.69  ? 169 GLU A CA  1 
ATOM   227  C C   . GLU A 1 45  ? -9.144  33.131 8.512   1.00 33.39  ? 169 GLU A C   1 
ATOM   228  O O   . GLU A 1 45  ? -9.627  34.092 7.869   1.00 35.51  ? 169 GLU A O   1 
ATOM   229  C CB  . GLU A 1 45  ? -6.772  33.756 8.801   1.00 42.00  ? 169 GLU A CB  1 
ATOM   230  C CG  . GLU A 1 45  ? -5.653  34.230 9.717   1.00 58.71  ? 169 GLU A CG  1 
ATOM   231  C CD  . GLU A 1 45  ? -4.610  35.127 9.069   1.00 98.50  ? 169 GLU A CD  1 
ATOM   232  O OE1 . GLU A 1 45  ? -4.807  35.552 7.914   1.00 98.45  ? 169 GLU A OE1 1 
ATOM   233  O OE2 . GLU A 1 45  ? -3.602  35.406 9.732   1.00 83.15  ? 169 GLU A OE2 1 
ATOM   234  N N   . ASN A 1 46  ? -9.467  31.845 8.310   1.00 32.17  ? 170 ASN A N   1 
ATOM   235  C CA  . ASN A 1 46  ? -10.341 31.435 7.187   1.00 29.79  ? 170 ASN A CA  1 
ATOM   236  C C   . ASN A 1 46  ? -11.771 31.847 7.509   1.00 27.97  ? 170 ASN A C   1 
ATOM   237  O O   . ASN A 1 46  ? -12.337 31.491 8.571   1.00 30.08  ? 170 ASN A O   1 
ATOM   238  C CB  . ASN A 1 46  ? -10.373 29.930 6.973   1.00 29.29  ? 170 ASN A CB  1 
ATOM   239  C CG  . ASN A 1 46  ? -9.124  29.344 6.359   1.00 36.96  ? 170 ASN A CG  1 
ATOM   240  O OD1 . ASN A 1 46  ? -8.383  30.042 5.659   1.00 38.68  ? 170 ASN A OD1 1 
ATOM   241  N ND2 . ASN A 1 46  ? -8.940  28.043 6.564   1.00 38.88  ? 170 ASN A ND2 1 
ATOM   242  N N   . PRO A 1 47  ? -12.447 32.499 6.555   1.00 30.43  ? 171 PRO A N   1 
ATOM   243  C CA  . PRO A 1 47  ? -13.886 32.682 6.686   1.00 29.78  ? 171 PRO A CA  1 
ATOM   244  C C   . PRO A 1 47  ? -14.609 31.346 6.896   1.00 29.57  ? 171 PRO A C   1 
ATOM   245  O O   . PRO A 1 47  ? -14.211 30.346 6.363   1.00 28.76  ? 171 PRO A O   1 
ATOM   246  C CB  . PRO A 1 47  ? -14.287 33.335 5.362   1.00 30.16  ? 171 PRO A CB  1 
ATOM   247  C CG  . PRO A 1 47  ? -13.017 33.989 4.905   1.00 36.71  ? 171 PRO A CG  1 
ATOM   248  C CD  . PRO A 1 47  ? -11.934 32.992 5.270   1.00 31.32  ? 171 PRO A CD  1 
ATOM   249  N N   . ARG A 1 48  ? -15.712 31.368 7.626   1.00 27.08  ? 172 ARG A N   1 
ATOM   250  C CA  . ARG A 1 48  ? -16.616 30.205 7.692   1.00 26.90  ? 172 ARG A CA  1 
ATOM   251  C C   . ARG A 1 48  ? -17.003 29.820 6.251   1.00 27.17  ? 172 ARG A C   1 
ATOM   252  O O   . ARG A 1 48  ? -17.256 30.722 5.427   1.00 26.92  ? 172 ARG A O   1 
ATOM   253  C CB  . ARG A 1 48  ? -17.843 30.546 8.515   1.00 28.73  ? 172 ARG A CB  1 
ATOM   254  C CG  . ARG A 1 48  ? -18.700 29.330 8.796   1.00 31.84  ? 172 ARG A CG  1 
ATOM   255  C CD  . ARG A 1 48  ? -19.711 29.564 9.893   1.00 34.97  ? 172 ARG A CD  1 
ATOM   256  N NE  . ARG A 1 48  ? -20.474 28.335 10.029  1.00 32.26  ? 172 ARG A NE  1 
ATOM   257  C CZ  . ARG A 1 48  ? -21.671 28.253 10.606  1.00 31.46  ? 172 ARG A CZ  1 
ATOM   258  N NH1 . ARG A 1 48  ? -22.210 29.347 11.102  1.00 42.58  ? 172 ARG A NH1 1 
ATOM   259  N NH2 . ARG A 1 48  ? -22.284 27.086 10.735  1.00 43.71  ? 172 ARG A NH2 1 
ATOM   260  N N   . GLY A 1 49  ? -16.959 28.534 5.901   1.00 25.45  ? 173 GLY A N   1 
ATOM   261  C CA  . GLY A 1 49  ? -17.251 28.115 4.515   1.00 26.98  ? 173 GLY A CA  1 
ATOM   262  C C   . GLY A 1 49  ? -16.009 28.038 3.652   1.00 22.90  ? 173 GLY A C   1 
ATOM   263  O O   . GLY A 1 49  ? -16.136 27.898 2.410   1.00 25.75  ? 173 GLY A O   1 
ATOM   264  N N   . THR A 1 50  ? -14.828 28.053 4.256   1.00 23.10  ? 174 THR A N   1 
ATOM   265  C CA  . THR A 1 50  ? -13.580 27.826 3.496   1.00 24.20  ? 174 THR A CA  1 
ATOM   266  C C   . THR A 1 50  ? -13.557 26.337 3.155   1.00 23.64  ? 174 THR A C   1 
ATOM   267  O O   . THR A 1 50  ? -13.842 25.523 4.035   1.00 24.30  ? 174 THR A O   1 
ATOM   268  C CB  . THR A 1 50  ? -12.315 28.325 4.198   1.00 25.95  ? 174 THR A CB  1 
ATOM   269  O OG1 . THR A 1 50  ? -12.482 29.727 4.429   1.00 27.25  ? 174 THR A OG1 1 
ATOM   270  C CG2 . THR A 1 50  ? -11.055 28.112 3.375   1.00 26.17  ? 174 THR A CG2 1 
ATOM   271  N N   . PHE A 1 51  ? -13.205 25.978 1.929   1.00 22.59  ? 175 PHE A N   1 
ATOM   272  C CA  . PHE A 1 51  ? -13.440 24.578 1.540   1.00 20.85  ? 175 PHE A CA  1 
ATOM   273  C C   . PHE A 1 51  ? -12.403 24.048 0.578   1.00 21.21  ? 175 PHE A C   1 
ATOM   274  O O   . PHE A 1 51  ? -11.708 24.812 -0.089  1.00 22.65  ? 175 PHE A O   1 
ATOM   275  C CB  . PHE A 1 51  ? -14.822 24.431 0.910   1.00 21.71  ? 175 PHE A CB  1 
ATOM   276  C CG  . PHE A 1 51  ? -14.934 24.942 -0.497  1.00 22.47  ? 175 PHE A CG  1 
ATOM   277  C CD1 . PHE A 1 51  ? -15.164 26.285 -0.750  1.00 22.50  ? 175 PHE A CD1 1 
ATOM   278  C CD2 . PHE A 1 51  ? -14.813 24.084 -1.569  1.00 20.53  ? 175 PHE A CD2 1 
ATOM   279  C CE1 . PHE A 1 51  ? -15.210 26.767 -2.059  1.00 22.45  ? 175 PHE A CE1 1 
ATOM   280  C CE2 . PHE A 1 51  ? -14.838 24.570 -2.870  1.00 21.50  ? 175 PHE A CE2 1 
ATOM   281  C CZ  . PHE A 1 51  ? -15.045 25.915 -3.121  1.00 22.70  ? 175 PHE A CZ  1 
ATOM   282  N N   . LEU A 1 52  ? -12.399 22.716 0.474   1.00 20.40  ? 176 LEU A N   1 
ATOM   283  C CA  . LEU A 1 52  ? -11.697 22.005 -0.599  1.00 20.70  ? 176 LEU A CA  1 
ATOM   284  C C   . LEU A 1 52  ? -12.460 20.722 -0.886  1.00 20.99  ? 176 LEU A C   1 
ATOM   285  O O   . LEU A 1 52  ? -13.308 20.288 -0.085  1.00 20.96  ? 176 LEU A O   1 
ATOM   286  C CB  . LEU A 1 52  ? -10.230 21.738 -0.224  1.00 22.40  ? 176 LEU A CB  1 
ATOM   287  C CG  . LEU A 1 52  ? -9.971  20.945 1.058   1.00 22.84  ? 176 LEU A CG  1 
ATOM   288  C CD1 . LEU A 1 52  ? -10.114 19.412 0.843   1.00 23.61  ? 176 LEU A CD1 1 
ATOM   289  C CD2 . LEU A 1 52  ? -8.583  21.246 1.607   1.00 26.83  ? 176 LEU A CD2 1 
ATOM   290  N N   . VAL A 1 53  ? -12.192 20.173 -2.050  1.00 19.73  ? 177 VAL A N   1 
ATOM   291  C CA  . VAL A 1 53  ? -12.676 18.841 -2.454  1.00 19.56  ? 177 VAL A CA  1 
ATOM   292  C C   . VAL A 1 53  ? -11.455 17.930 -2.590  1.00 21.27  ? 177 VAL A C   1 
ATOM   293  O O   . VAL A 1 53  ? -10.378 18.350 -3.048  1.00 22.12  ? 177 VAL A O   1 
ATOM   294  C CB  . VAL A 1 53  ? -13.493 18.933 -3.741  1.00 20.98  ? 177 VAL A CB  1 
ATOM   295  C CG1 . VAL A 1 53  ? -13.906 17.551 -4.198  1.00 21.60  ? 177 VAL A CG1 1 
ATOM   296  C CG2 . VAL A 1 53  ? -14.719 19.832 -3.588  1.00 22.40  ? 177 VAL A CG2 1 
ATOM   297  N N   . ARG A 1 54  ? -11.625 16.708 -2.130  1.00 21.36  ? 178 ARG A N   1 
ATOM   298  C CA  . ARG A 1 54  ? -10.583 15.672 -2.065  1.00 21.57  ? 178 ARG A CA  1 
ATOM   299  C C   . ARG A 1 54  ? -11.196 14.307 -2.384  1.00 21.33  ? 178 ARG A C   1 
ATOM   300  O O   . ARG A 1 54  ? -12.428 14.170 -2.426  1.00 22.42  ? 178 ARG A O   1 
ATOM   301  C CB  . ARG A 1 54  ? -9.920  15.662 -0.699  1.00 21.83  ? 178 ARG A CB  1 
ATOM   302  C CG  . ARG A 1 54  ? -10.858 15.467 0.467   1.00 23.14  ? 178 ARG A CG  1 
ATOM   303  C CD  . ARG A 1 54  ? -10.138 15.515 1.797   1.00 23.47  ? 178 ARG A CD  1 
ATOM   304  N NE  . ARG A 1 54  ? -11.100 15.392 2.868   1.00 24.98  ? 178 ARG A NE  1 
ATOM   305  C CZ  . ARG A 1 54  ? -11.565 14.229 3.304   1.00 25.02  ? 178 ARG A CZ  1 
ATOM   306  N NH1 . ARG A 1 54  ? -12.473 14.187 4.266   1.00 23.34  ? 178 ARG A NH1 1 
ATOM   307  N NH2 . ARG A 1 54  ? -11.076 13.110 2.787   1.00 24.88  ? 178 ARG A NH2 1 
ATOM   308  N N   . GLU A 1 55  ? -10.347 13.329 -2.643  1.00 20.70  ? 179 GLU A N   1 
ATOM   309  C CA  . GLU A 1 55  ? -10.783 11.927 -2.658  1.00 22.64  ? 179 GLU A CA  1 
ATOM   310  C C   . GLU A 1 55  ? -11.241 11.535 -1.249  1.00 19.91  ? 179 GLU A C   1 
ATOM   311  O O   . GLU A 1 55  ? -10.637 11.942 -0.223  1.00 22.87  ? 179 GLU A O   1 
ATOM   312  C CB  . GLU A 1 55  ? -9.681  11.015 -3.182  1.00 23.16  ? 179 GLU A CB  1 
ATOM   313  C CG  . GLU A 1 55  ? -9.351  11.257 -4.625  1.00 27.81  ? 179 GLU A CG  1 
ATOM   314  C CD  . GLU A 1 55  ? -8.386  10.217 -5.150  1.00 32.55  ? 179 GLU A CD  1 
ATOM   315  O OE1 . GLU A 1 55  ? -8.001  10.338 -6.325  1.00 37.44  ? 179 GLU A OE1 1 
ATOM   316  O OE2 . GLU A 1 55  ? -8.041  9.238  -4.375  1.00 36.83  ? 179 GLU A OE2 1 
ATOM   317  N N   . SER A 1 56  ? -12.270 10.705 -1.164  1.00 23.47  ? 180 SER A N   1 
ATOM   318  C CA  . SER A 1 56  ? -12.589 10.021 0.107   1.00 21.13  ? 180 SER A CA  1 
ATOM   319  C C   . SER A 1 56  ? -11.522 8.959  0.422   1.00 22.09  ? 180 SER A C   1 
ATOM   320  O O   . SER A 1 56  ? -11.147 8.171  -0.472  1.00 25.79  ? 180 SER A O   1 
ATOM   321  C CB  . SER A 1 56  ? -13.965 9.414  0.059   1.00 22.93  ? 180 SER A CB  1 
ATOM   322  O OG  . SER A 1 56  ? -14.231 8.677  1.244   1.00 24.02  ? 180 SER A OG  1 
ATOM   323  N N   . GLU A 1 57  ? -11.061 8.939  1.665   1.00 24.13  ? 181 GLU A N   1 
ATOM   324  C CA  . GLU A 1 57  ? -10.099 7.915  2.110   1.00 25.76  ? 181 GLU A CA  1 
ATOM   325  C C   . GLU A 1 57  ? -10.853 6.619  2.443   1.00 28.65  ? 181 GLU A C   1 
ATOM   326  O O   . GLU A 1 57  ? -10.232 5.564  2.419   1.00 32.62  ? 181 GLU A O   1 
ATOM   327  C CB  . GLU A 1 57  ? -9.401  8.336  3.397   1.00 31.00  ? 181 GLU A CB  1 
ATOM   328  C CG  . GLU A 1 57  ? -8.556  9.563  3.269   1.00 37.02  ? 181 GLU A CG  1 
ATOM   329  C CD  . GLU A 1 57  ? -7.640  9.747  4.467   1.00 36.69  ? 181 GLU A CD  1 
ATOM   330  O OE1 . GLU A 1 57  ? -8.056  10.373 5.440   1.00 31.26  ? 181 GLU A OE1 1 
ATOM   331  O OE2 . GLU A 1 57  ? -6.536  9.208  4.423   1.00 59.83  ? 181 GLU A OE2 1 
ATOM   332  N N   . THR A 1 58  ? -12.125 6.699  2.828   1.00 26.43  ? 182 THR A N   1 
ATOM   333  C CA  . THR A 1 58  ? -12.871 5.532  3.379   1.00 32.35  ? 182 THR A CA  1 
ATOM   334  C C   . THR A 1 58  ? -13.776 4.908  2.312   1.00 29.52  ? 182 THR A C   1 
ATOM   335  O O   . THR A 1 58  ? -14.073 3.708  2.414   1.00 26.73  ? 182 THR A O   1 
ATOM   336  C CB  . THR A 1 58  ? -13.657 5.901  4.648   1.00 30.89  ? 182 THR A CB  1 
ATOM   337  O OG1 . THR A 1 58  ? -14.471 7.039  4.378   1.00 29.10  ? 182 THR A OG1 1 
ATOM   338  C CG2 . THR A 1 58  ? -12.755 6.195  5.824   1.00 37.56  ? 182 THR A CG2 1 
ATOM   339  N N   . VAL A 1 59  ? -14.235 5.674  1.322   1.00 27.85  ? 183 VAL A N   1 
ATOM   340  C CA  . VAL A 1 59  ? -15.135 5.140  0.257   1.00 26.95  ? 183 VAL A CA  1 
ATOM   341  C C   . VAL A 1 59  ? -14.462 5.286  -1.110  1.00 27.43  ? 183 VAL A C   1 
ATOM   342  O O   . VAL A 1 59  ? -14.416 6.441  -1.613  1.00 27.50  ? 183 VAL A O   1 
ATOM   343  C CB  . VAL A 1 59  ? -16.521 5.810  0.303   1.00 30.17  ? 183 VAL A CB  1 
ATOM   344  C CG1 . VAL A 1 59  ? -17.449 5.245  -0.776  1.00 31.47  ? 183 VAL A CG1 1 
ATOM   345  C CG2 . VAL A 1 59  ? -17.143 5.647  1.687   1.00 30.43  ? 183 VAL A CG2 1 
ATOM   346  N N   . LYS A 1 60  ? -13.881 4.185  -1.635  1.00 36.19  ? 184 LYS A N   1 
ATOM   347  C CA  . LYS A 1 60  ? -13.045 4.197  -2.862  1.00 34.44  ? 184 LYS A CA  1 
ATOM   348  C C   . LYS A 1 60  ? -13.903 4.763  -3.995  1.00 34.37  ? 184 LYS A C   1 
ATOM   349  O O   . LYS A 1 60  ? -15.022 4.308  -4.201  1.00 38.19  ? 184 LYS A O   1 
ATOM   350  C CB  . LYS A 1 60  ? -12.487 2.830  -3.198  1.00 52.50  ? 184 LYS A CB  1 
ATOM   351  N N   . GLY A 1 61  ? -13.393 5.766  -4.705  1.00 29.99  ? 185 GLY A N   1 
ATOM   352  C CA  . GLY A 1 61  ? -14.067 6.346  -5.886  1.00 31.66  ? 185 GLY A CA  1 
ATOM   353  C C   . GLY A 1 61  ? -14.981 7.502  -5.541  1.00 33.11  ? 185 GLY A C   1 
ATOM   354  O O   . GLY A 1 61  ? -15.328 8.257  -6.460  1.00 32.78  ? 185 GLY A O   1 
ATOM   355  N N   . ALA A 1 62  ? -15.317 7.668  -4.266  1.00 24.92  ? 186 ALA A N   1 
ATOM   356  C CA  . ALA A 1 62  ? -16.083 8.838  -3.790  1.00 22.21  ? 186 ALA A CA  1 
ATOM   357  C C   . ALA A 1 62  ? -15.148 10.015 -3.512  1.00 23.96  ? 186 ALA A C   1 
ATOM   358  O O   . ALA A 1 62  ? -13.889 9.871  -3.413  1.00 23.52  ? 186 ALA A O   1 
ATOM   359  C CB  . ALA A 1 62  ? -16.907 8.527  -2.565  1.00 24.23  ? 186 ALA A CB  1 
ATOM   360  N N   . TYR A 1 63  ? -15.766 11.171 -3.361  1.00 24.81  ? 187 TYR A N   1 
ATOM   361  C CA  . TYR A 1 63  ? -15.051 12.411 -3.005  1.00 21.13  ? 187 TYR A CA  1 
ATOM   362  C C   . TYR A 1 63  ? -15.575 12.917 -1.663  1.00 20.91  ? 187 TYR A C   1 
ATOM   363  O O   . TYR A 1 63  ? -16.577 12.416 -1.126  1.00 23.78  ? 187 TYR A O   1 
ATOM   364  C CB  . TYR A 1 63  ? -15.178 13.436 -4.143  1.00 22.37  ? 187 TYR A CB  1 
ATOM   365  C CG  . TYR A 1 63  ? -14.528 12.980 -5.413  1.00 25.13  ? 187 TYR A CG  1 
ATOM   366  C CD1 . TYR A 1 63  ? -15.246 12.248 -6.346  1.00 27.50  ? 187 TYR A CD1 1 
ATOM   367  C CD2 . TYR A 1 63  ? -13.197 13.272 -5.687  1.00 24.07  ? 187 TYR A CD2 1 
ATOM   368  C CE1 . TYR A 1 63  ? -14.634 11.735 -7.473  1.00 30.17  ? 187 TYR A CE1 1 
ATOM   369  C CE2 . TYR A 1 63  ? -12.590 12.798 -6.837  1.00 25.62  ? 187 TYR A CE2 1 
ATOM   370  C CZ  . TYR A 1 63  ? -13.309 12.036 -7.738  1.00 28.14  ? 187 TYR A CZ  1 
ATOM   371  O OH  . TYR A 1 63  ? -12.755 11.581 -8.911  1.00 35.83  ? 187 TYR A OH  1 
ATOM   372  N N   . ALA A 1 64  ? -14.888 13.902 -1.115  1.00 21.22  ? 188 ALA A N   1 
ATOM   373  C CA  . ALA A 1 64  ? -15.302 14.564 0.134   1.00 22.28  ? 188 ALA A CA  1 
ATOM   374  C C   . ALA A 1 64  ? -15.198 16.070 -0.091  1.00 21.96  ? 188 ALA A C   1 
ATOM   375  O O   . ALA A 1 64  ? -14.247 16.545 -0.743  1.00 23.48  ? 188 ALA A O   1 
ATOM   376  C CB  . ALA A 1 64  ? -14.456 14.099 1.306   1.00 23.36  ? 188 ALA A CB  1 
ATOM   377  N N   . LEU A 1 65  ? -16.193 16.772 0.411   1.00 20.28  ? 189 LEU A N   1 
ATOM   378  C CA  . LEU A 1 65  ? -16.205 18.242 0.529   1.00 21.34  ? 189 LEU A CA  1 
ATOM   379  C C   . LEU A 1 65  ? -15.911 18.554 1.993   1.00 19.73  ? 189 LEU A C   1 
ATOM   380  O O   . LEU A 1 65  ? -16.714 18.201 2.880   1.00 22.68  ? 189 LEU A O   1 
ATOM   381  C CB  . LEU A 1 65  ? -17.599 18.725 0.101   1.00 21.12  ? 189 LEU A CB  1 
ATOM   382  C CG  . LEU A 1 65  ? -17.869 20.213 0.193   1.00 21.51  ? 189 LEU A CG  1 
ATOM   383  C CD1 . LEU A 1 65  ? -16.877 21.044 -0.655  1.00 22.43  ? 189 LEU A CD1 1 
ATOM   384  C CD2 . LEU A 1 65  ? -19.305 20.482 -0.149  1.00 23.72  ? 189 LEU A CD2 1 
ATOM   385  N N   . SER A 1 66  ? -14.789 19.205 2.224   1.00 19.90  ? 190 SER A N   1 
ATOM   386  C CA  . SER A 1 66  ? -14.308 19.558 3.579   1.00 20.96  ? 190 SER A CA  1 
ATOM   387  C C   . SER A 1 66  ? -14.444 21.065 3.729   1.00 22.67  ? 190 SER A C   1 
ATOM   388  O O   . SER A 1 66  ? -13.948 21.805 2.869   1.00 22.44  ? 190 SER A O   1 
ATOM   389  C CB  . SER A 1 66  ? -12.889 19.106 3.749   1.00 22.83  ? 190 SER A CB  1 
ATOM   390  O OG  . SER A 1 66  ? -12.837 17.691 3.712   1.00 22.68  ? 190 SER A OG  1 
ATOM   391  N N   . VAL A 1 67  ? -15.103 21.505 4.793   1.00 22.46  ? 191 VAL A N   1 
ATOM   392  C CA  . VAL A 1 67  ? -15.557 22.907 4.884   1.00 23.05  ? 191 VAL A CA  1 
ATOM   393  C C   . VAL A 1 67  ? -15.315 23.412 6.311   1.00 22.83  ? 191 VAL A C   1 
ATOM   394  O O   . VAL A 1 67  ? -15.812 22.755 7.262   1.00 26.30  ? 191 VAL A O   1 
ATOM   395  C CB  . VAL A 1 67  ? -17.050 23.032 4.537   1.00 24.69  ? 191 VAL A CB  1 
ATOM   396  C CG1 . VAL A 1 67  ? -17.449 24.503 4.449   1.00 25.47  ? 191 VAL A CG1 1 
ATOM   397  C CG2 . VAL A 1 67  ? -17.441 22.264 3.287   1.00 23.45  ? 191 VAL A CG2 1 
ATOM   398  N N   . SER A 1 68  ? -14.641 24.553 6.450   1.00 25.13  ? 192 SER A N   1 
ATOM   399  C CA  . SER A 1 68  ? -14.474 25.212 7.766   1.00 24.43  ? 192 SER A CA  1 
ATOM   400  C C   . SER A 1 68  ? -15.841 25.669 8.297   1.00 25.16  ? 192 SER A C   1 
ATOM   401  O O   . SER A 1 68  ? -16.749 26.056 7.511   1.00 25.70  ? 192 SER A O   1 
ATOM   402  C CB  . SER A 1 68  ? -13.485 26.323 7.707   1.00 28.52  ? 192 SER A CB  1 
ATOM   403  O OG  . SER A 1 68  ? -14.056 27.469 7.123   1.00 26.10  ? 192 SER A OG  1 
ATOM   404  N N   . ASP A 1 69  ? -16.034 25.525 9.606   1.00 26.06  ? 193 ASP A N   1 
ATOM   405  C CA  . ASP A 1 69  ? -17.343 25.783 10.239  1.00 28.48  ? 193 ASP A CA  1 
ATOM   406  C C   . ASP A 1 69  ? -17.135 26.382 11.625  1.00 27.25  ? 193 ASP A C   1 
ATOM   407  O O   . ASP A 1 69  ? -16.049 26.294 12.179  1.00 27.29  ? 193 ASP A O   1 
ATOM   408  C CB  . ASP A 1 69  ? -18.073 24.452 10.335  1.00 29.35  ? 193 ASP A CB  1 
ATOM   409  C CG  . ASP A 1 69  ? -19.511 24.608 10.769  1.00 34.73  ? 193 ASP A CG  1 
ATOM   410  O OD1 . ASP A 1 69  ? -20.260 25.312 10.032  1.00 33.96  ? 193 ASP A OD1 1 
ATOM   411  O OD2 . ASP A 1 69  ? -19.844 24.104 11.888  1.00 38.76  ? 193 ASP A OD2 1 
ATOM   412  N N   . PHE A 1 70  ? -18.164 27.017 12.169  1.00 27.50  ? 194 PHE A N   1 
ATOM   413  C CA  . PHE A 1 70  ? -18.197 27.513 13.576  1.00 30.37  ? 194 PHE A CA  1 
ATOM   414  C C   . PHE A 1 70  ? -19.491 26.987 14.187  1.00 35.38  ? 194 PHE A C   1 
ATOM   415  O O   . PHE A 1 70  ? -20.558 27.363 13.696  1.00 31.51  ? 194 PHE A O   1 
ATOM   416  C CB  . PHE A 1 70  ? -18.055 29.026 13.662  1.00 28.37  ? 194 PHE A CB  1 
ATOM   417  C CG  . PHE A 1 70  ? -17.755 29.482 15.068  1.00 25.55  ? 194 PHE A CG  1 
ATOM   418  C CD1 . PHE A 1 70  ? -18.789 29.709 15.963  1.00 32.01  ? 194 PHE A CD1 1 
ATOM   419  C CD2 . PHE A 1 70  ? -16.450 29.492 15.535  1.00 30.25  ? 194 PHE A CD2 1 
ATOM   420  C CE1 . PHE A 1 70  ? -18.499 30.020 17.290  1.00 27.98  ? 194 PHE A CE1 1 
ATOM   421  C CE2 . PHE A 1 70  ? -16.159 29.851 16.846  1.00 27.95  ? 194 PHE A CE2 1 
ATOM   422  C CZ  . PHE A 1 70  ? -17.188 30.110 17.720  1.00 28.43  ? 194 PHE A CZ  1 
ATOM   423  N N   . ASP A 1 71  ? -19.354 26.050 15.129  1.00 32.08  ? 195 ASP A N   1 
ATOM   424  C CA  . ASP A 1 71  ? -20.494 25.332 15.722  1.00 29.88  ? 195 ASP A CA  1 
ATOM   425  C C   . ASP A 1 71  ? -20.822 25.932 17.092  1.00 28.15  ? 195 ASP A C   1 
ATOM   426  O O   . ASP A 1 71  ? -19.875 26.326 17.814  1.00 30.52  ? 195 ASP A O   1 
ATOM   427  C CB  . ASP A 1 71  ? -20.162 23.842 15.849  1.00 39.11  ? 195 ASP A CB  1 
ATOM   428  C CG  . ASP A 1 71  ? -21.327 23.051 16.405  1.00 55.66  ? 195 ASP A CG  1 
ATOM   429  O OD1 . ASP A 1 71  ? -22.286 22.770 15.618  1.00 49.02  ? 195 ASP A OD1 1 
ATOM   430  O OD2 . ASP A 1 71  ? -21.293 22.763 17.614  1.00 46.82  ? 195 ASP A OD2 1 
ATOM   431  N N   . ASN A 1 72  ? -22.112 26.009 17.439  1.00 27.10  ? 196 ASN A N   1 
ATOM   432  C CA  . ASN A 1 72  ? -22.561 26.586 18.741  1.00 29.91  ? 196 ASN A CA  1 
ATOM   433  C C   . ASN A 1 72  ? -21.902 25.874 19.931  1.00 29.67  ? 196 ASN A C   1 
ATOM   434  O O   . ASN A 1 72  ? -21.680 26.545 20.974  1.00 34.63  ? 196 ASN A O   1 
ATOM   435  C CB  . ASN A 1 72  ? -24.074 26.522 18.916  1.00 40.60  ? 196 ASN A CB  1 
ATOM   436  C CG  . ASN A 1 72  ? -24.754 27.570 18.085  1.00 51.70  ? 196 ASN A CG  1 
ATOM   437  O OD1 . ASN A 1 72  ? -24.061 28.303 17.369  1.00 39.03  ? 196 ASN A OD1 1 
ATOM   438  N ND2 . ASN A 1 72  ? -26.078 27.647 18.207  1.00 46.68  ? 196 ASN A ND2 1 
ATOM   439  N N   . ALA A 1 73  ? -21.645 24.568 19.809  1.00 34.53  ? 197 ALA A N   1 
ATOM   440  C CA  . ALA A 1 73  ? -21.103 23.727 20.900  1.00 41.03  ? 197 ALA A CA  1 
ATOM   441  C C   . ALA A 1 73  ? -19.603 23.507 20.691  1.00 38.51  ? 197 ALA A C   1 
ATOM   442  O O   . ALA A 1 73  ? -18.892 23.564 21.713  1.00 40.01  ? 197 ALA A O   1 
ATOM   443  C CB  . ALA A 1 73  ? -21.839 22.410 20.970  1.00 51.34  ? 197 ALA A CB  1 
ATOM   444  N N   . LYS A 1 74  ? -19.167 23.166 19.478  1.00 41.91  ? 198 LYS A N   1 
ATOM   445  C CA  . LYS A 1 74  ? -17.759 22.728 19.267  1.00 52.26  ? 198 LYS A CA  1 
ATOM   446  C C   . LYS A 1 74  ? -16.813 23.845 18.834  1.00 34.29  ? 198 LYS A C   1 
ATOM   447  O O   . LYS A 1 74  ? -15.609 23.601 18.768  1.00 37.93  ? 198 LYS A O   1 
ATOM   448  C CB  . LYS A 1 74  ? -17.756 21.632 18.201  1.00 55.75  ? 198 LYS A CB  1 
ATOM   449  C CG  . LYS A 1 74  ? -18.865 20.601 18.344  1.00 88.07  ? 198 LYS A CG  1 
ATOM   450  C CD  . LYS A 1 74  ? -18.935 19.636 17.185  1.00 108.50 ? 198 LYS A CD  1 
ATOM   451  C CE  . LYS A 1 74  ? -19.863 18.470 17.454  1.00 145.12 ? 198 LYS A CE  1 
ATOM   452  N NZ  . LYS A 1 74  ? -19.552 17.811 18.745  1.00 151.53 ? 198 LYS A NZ  1 
ATOM   453  N N   . GLY A 1 75  ? -17.349 25.013 18.541  1.00 30.99  ? 199 GLY A N   1 
ATOM   454  C CA  . GLY A 1 75  ? -16.491 26.102 18.065  1.00 29.37  ? 199 GLY A CA  1 
ATOM   455  C C   . GLY A 1 75  ? -15.962 25.833 16.669  1.00 28.45  ? 199 GLY A C   1 
ATOM   456  O O   . GLY A 1 75  ? -16.724 25.355 15.828  1.00 33.03  ? 199 GLY A O   1 
ATOM   457  N N   . LEU A 1 76  ? -14.702 26.177 16.420  1.00 28.08  ? 200 LEU A N   1 
ATOM   458  C CA  . LEU A 1 76  ? -14.096 26.026 15.086  1.00 32.87  ? 200 LEU A CA  1 
ATOM   459  C C   . LEU A 1 76  ? -13.996 24.538 14.814  1.00 30.80  ? 200 LEU A C   1 
ATOM   460  O O   . LEU A 1 76  ? -13.368 23.810 15.595  1.00 31.86  ? 200 LEU A O   1 
ATOM   461  C CB  . LEU A 1 76  ? -12.687 26.590 15.065  1.00 39.76  ? 200 LEU A CB  1 
ATOM   462  C CG  . LEU A 1 76  ? -12.473 28.032 14.668  1.00 41.86  ? 200 LEU A CG  1 
ATOM   463  C CD1 . LEU A 1 76  ? -10.962 28.222 14.636  1.00 41.19  ? 200 LEU A CD1 1 
ATOM   464  C CD2 . LEU A 1 76  ? -13.112 28.381 13.322  1.00 33.32  ? 200 LEU A CD2 1 
ATOM   465  N N   . ASN A 1 77  ? -14.495 24.111 13.663  1.00 27.71  ? 201 ASN A N   1 
ATOM   466  C CA  . ASN A 1 77  ? -14.466 22.671 13.379  1.00 32.03  ? 201 ASN A CA  1 
ATOM   467  C C   . ASN A 1 77  ? -14.478 22.565 11.862  1.00 32.33  ? 201 ASN A C   1 
ATOM   468  O O   . ASN A 1 77  ? -14.717 23.601 11.193  1.00 31.54  ? 201 ASN A O   1 
ATOM   469  C CB  . ASN A 1 77  ? -15.612 21.906 14.036  1.00 35.67  ? 201 ASN A CB  1 
ATOM   470  C CG  . ASN A 1 77  ? -16.933 22.223 13.387  1.00 31.04  ? 201 ASN A CG  1 
ATOM   471  O OD1 . ASN A 1 77  ? -17.437 21.417 12.574  1.00 36.84  ? 201 ASN A OD1 1 
ATOM   472  N ND2 . ASN A 1 77  ? -17.476 23.389 13.689  1.00 31.94  ? 201 ASN A ND2 1 
ATOM   473  N N   . VAL A 1 78  ? -14.181 21.369 11.375  1.00 29.80  ? 202 VAL A N   1 
ATOM   474  C CA  . VAL A 1 78  ? -14.272 21.111 9.918   1.00 27.00  ? 202 VAL A CA  1 
ATOM   475  C C   . VAL A 1 78  ? -15.378 20.072 9.717   1.00 28.36  ? 202 VAL A C   1 
ATOM   476  O O   . VAL A 1 78  ? -15.372 18.988 10.374  1.00 31.70  ? 202 VAL A O   1 
ATOM   477  C CB  . VAL A 1 78  ? -12.921 20.671 9.317   1.00 28.96  ? 202 VAL A CB  1 
ATOM   478  C CG1 . VAL A 1 78  ? -13.026 20.270 7.860   1.00 32.54  ? 202 VAL A CG1 1 
ATOM   479  C CG2 . VAL A 1 78  ? -11.874 21.754 9.502   1.00 32.70  ? 202 VAL A CG2 1 
ATOM   480  N N   . LYS A 1 79  ? -16.295 20.414 8.804   1.00 24.00  ? 203 LYS A N   1 
ATOM   481  C CA  . LYS A 1 79  ? -17.367 19.518 8.328   1.00 26.86  ? 203 LYS A CA  1 
ATOM   482  C C   . LYS A 1 79  ? -16.822 18.757 7.103   1.00 25.35  ? 203 LYS A C   1 
ATOM   483  O O   . LYS A 1 79  ? -16.117 19.355 6.255   1.00 27.87  ? 203 LYS A O   1 
ATOM   484  C CB  . LYS A 1 79  ? -18.632 20.323 8.021   1.00 30.46  ? 203 LYS A CB  1 
ATOM   485  C CG  . LYS A 1 79  ? -19.373 20.902 9.222   1.00 33.48  ? 203 LYS A CG  1 
ATOM   486  C CD  . LYS A 1 79  ? -20.103 19.809 9.989   1.00 38.23  ? 203 LYS A CD  1 
ATOM   487  C CE  . LYS A 1 79  ? -21.054 20.344 11.042  1.00 65.36  ? 203 LYS A CE  1 
ATOM   488  N NZ  . LYS A 1 79  ? -20.414 20.492 12.371  1.00 79.12  ? 203 LYS A NZ  1 
ATOM   489  N N   . HIS A 1 80  ? -17.153 17.480 7.009   1.00 24.32  ? 204 HIS A N   1 
ATOM   490  C CA  . HIS A 1 80  ? -16.821 16.604 5.857   1.00 24.30  ? 204 HIS A CA  1 
ATOM   491  C C   . HIS A 1 80  ? -18.139 16.052 5.308   1.00 22.72  ? 204 HIS A C   1 
ATOM   492  O O   . HIS A 1 80  ? -18.925 15.428 6.054   1.00 29.71  ? 204 HIS A O   1 
ATOM   493  C CB  . HIS A 1 80  ? -15.809 15.531 6.224   1.00 24.47  ? 204 HIS A CB  1 
ATOM   494  C CG  . HIS A 1 80  ? -14.540 16.034 6.828   1.00 25.25  ? 204 HIS A CG  1 
ATOM   495  N ND1 . HIS A 1 80  ? -13.469 16.498 6.081   1.00 24.21  ? 204 HIS A ND1 1 
ATOM   496  C CD2 . HIS A 1 80  ? -14.154 16.091 8.124   1.00 28.28  ? 204 HIS A CD2 1 
ATOM   497  C CE1 . HIS A 1 80  ? -12.510 16.871 6.920   1.00 27.04  ? 204 HIS A CE1 1 
ATOM   498  N NE2 . HIS A 1 80  ? -12.914 16.617 8.173   1.00 29.02  ? 204 HIS A NE2 1 
ATOM   499  N N   . TYR A 1 81  ? -18.381 16.302 4.016   1.00 23.63  ? 205 TYR A N   1 
ATOM   500  C CA  . TYR A 1 81  ? -19.565 15.769 3.325   1.00 22.45  ? 205 TYR A CA  1 
ATOM   501  C C   . TYR A 1 81  ? -19.120 14.782 2.259   1.00 24.43  ? 205 TYR A C   1 
ATOM   502  O O   . TYR A 1 81  ? -18.227 15.074 1.486   1.00 21.95  ? 205 TYR A O   1 
ATOM   503  C CB  . TYR A 1 81  ? -20.394 16.917 2.740   1.00 23.35  ? 205 TYR A CB  1 
ATOM   504  C CG  . TYR A 1 81  ? -20.697 18.030 3.715   1.00 21.69  ? 205 TYR A CG  1 
ATOM   505  C CD1 . TYR A 1 81  ? -21.709 17.930 4.651   1.00 29.06  ? 205 TYR A CD1 1 
ATOM   506  C CD2 . TYR A 1 81  ? -19.993 19.219 3.656   1.00 25.66  ? 205 TYR A CD2 1 
ATOM   507  C CE1 . TYR A 1 81  ? -21.965 18.950 5.550   1.00 28.79  ? 205 TYR A CE1 1 
ATOM   508  C CE2 . TYR A 1 81  ? -20.264 20.268 4.521   1.00 26.42  ? 205 TYR A CE2 1 
ATOM   509  C CZ  . TYR A 1 81  ? -21.274 20.149 5.459   1.00 26.30  ? 205 TYR A CZ  1 
ATOM   510  O OH  . TYR A 1 81  ? -21.520 21.190 6.332   1.00 31.03  ? 205 TYR A OH  1 
ATOM   511  N N   . LEU A 1 82  ? -19.721 13.594 2.268   1.00 23.40  ? 206 LEU A N   1 
ATOM   512  C CA  . LEU A 1 82  ? -19.396 12.557 1.289   1.00 20.31  ? 206 LEU A CA  1 
ATOM   513  C C   . LEU A 1 82  ? -20.128 12.821 -0.032  1.00 20.60  ? 206 LEU A C   1 
ATOM   514  O O   . LEU A 1 82  ? -21.360 12.903 -0.089  1.00 22.62  ? 206 LEU A O   1 
ATOM   515  C CB  . LEU A 1 82  ? -19.755 11.212 1.875   1.00 25.46  ? 206 LEU A CB  1 
ATOM   516  C CG  . LEU A 1 82  ? -19.322 10.015 1.037   1.00 24.09  ? 206 LEU A CG  1 
ATOM   517  C CD1 . LEU A 1 82  ? -17.798 9.868  0.930   1.00 25.49  ? 206 LEU A CD1 1 
ATOM   518  C CD2 . LEU A 1 82  ? -19.886 8.761  1.665   1.00 28.99  ? 206 LEU A CD2 1 
ATOM   519  N N   . ILE A 1 83  ? -19.332 12.904 -1.082  1.00 20.88  ? 207 ILE A N   1 
ATOM   520  C CA  . ILE A 1 83  ? -19.814 13.053 -2.465  1.00 22.06  ? 207 ILE A CA  1 
ATOM   521  C C   . ILE A 1 83  ? -19.746 11.689 -3.164  1.00 21.47  ? 207 ILE A C   1 
ATOM   522  O O   . ILE A 1 83  ? -18.655 11.208 -3.501  1.00 23.67  ? 207 ILE A O   1 
ATOM   523  C CB  . ILE A 1 83  ? -19.037 14.110 -3.234  1.00 20.88  ? 207 ILE A CB  1 
ATOM   524  C CG1 . ILE A 1 83  ? -18.984 15.474 -2.545  1.00 21.97  ? 207 ILE A CG1 1 
ATOM   525  C CG2 . ILE A 1 83  ? -19.633 14.188 -4.625  1.00 23.42  ? 207 ILE A CG2 1 
ATOM   526  C CD1 . ILE A 1 83  ? -17.944 16.399 -3.197  1.00 22.29  ? 207 ILE A CD1 1 
ATOM   527  N N   . ARG A 1 84  ? -20.897 11.082 -3.367  1.00 22.60  ? 208 ARG A N   1 
ATOM   528  C CA  . ARG A 1 84  ? -20.983 9.809  -4.109  1.00 23.69  ? 208 ARG A CA  1 
ATOM   529  C C   . ARG A 1 84  ? -20.938 10.060 -5.618  1.00 22.06  ? 208 ARG A C   1 
ATOM   530  O O   . ARG A 1 84  ? -21.421 11.129 -6.079  1.00 26.03  ? 208 ARG A O   1 
ATOM   531  C CB  . ARG A 1 84  ? -22.207 9.059  -3.580  1.00 27.60  ? 208 ARG A CB  1 
ATOM   532  C CG  . ARG A 1 84  ? -21.902 8.605  -2.162  1.00 34.57  ? 208 ARG A CG  1 
ATOM   533  C CD  . ARG A 1 84  ? -23.034 7.823  -1.685  1.00 32.89  ? 208 ARG A CD  1 
ATOM   534  N NE  . ARG A 1 84  ? -23.019 7.655  -0.263  1.00 28.78  ? 208 ARG A NE  1 
ATOM   535  C CZ  . ARG A 1 84  ? -22.362 6.699  0.364   1.00 26.90  ? 208 ARG A CZ  1 
ATOM   536  N NH1 . ARG A 1 84  ? -21.562 5.863  -0.301  1.00 23.83  ? 208 ARG A NH1 1 
ATOM   537  N NH2 . ARG A 1 84  ? -22.496 6.598  1.671   1.00 25.70  ? 208 ARG A NH2 1 
ATOM   538  N N   . LYS A 1 85  ? -20.351 9.102  -6.350  1.00 25.34  ? 209 LYS A N   1 
ATOM   539  C CA  . LYS A 1 85  ? -20.211 9.141  -7.828  1.00 26.98  ? 209 LYS A CA  1 
ATOM   540  C C   . LYS A 1 85  ? -21.054 7.986  -8.364  1.00 28.94  ? 209 LYS A C   1 
ATOM   541  O O   . LYS A 1 85  ? -20.872 6.818  -7.935  1.00 34.49  ? 209 LYS A O   1 
ATOM   542  C CB  . LYS A 1 85  ? -18.733 9.071  -8.255  1.00 29.55  ? 209 LYS A CB  1 
ATOM   543  C CG  . LYS A 1 85  ? -18.444 9.084  -9.754  1.00 35.49  ? 209 LYS A CG  1 
ATOM   544  C CD  . LYS A 1 85  ? -16.966 8.997  -10.096 1.00 51.43  ? 209 LYS A CD  1 
ATOM   545  C CE  . LYS A 1 85  ? -16.651 8.846  -11.581 1.00 100.97 ? 209 LYS A CE  1 
ATOM   546  N NZ  . LYS A 1 85  ? -16.225 10.125 -12.209 1.00 75.57  ? 209 LYS A NZ  1 
ATOM   547  N N   . LEU A 1 86  ? -21.985 8.299  -9.248  1.00 30.86  ? 210 LEU A N   1 
ATOM   548  C CA  . LEU A 1 86  ? -22.779 7.259  -9.952  1.00 35.58  ? 210 LEU A CA  1 
ATOM   549  C C   . LEU A 1 86  ? -21.945 6.720  -11.125 1.00 37.45  ? 210 LEU A C   1 
ATOM   550  O O   . LEU A 1 86  ? -21.385 7.532  -11.866 1.00 33.48  ? 210 LEU A O   1 
ATOM   551  C CB  . LEU A 1 86  ? -24.077 7.927  -10.393 1.00 41.17  ? 210 LEU A CB  1 
ATOM   552  C CG  . LEU A 1 86  ? -24.917 8.481  -9.241  1.00 52.03  ? 210 LEU A CG  1 
ATOM   553  C CD1 . LEU A 1 86  ? -25.859 9.539  -9.770  1.00 67.01  ? 210 LEU A CD1 1 
ATOM   554  C CD2 . LEU A 1 86  ? -25.658 7.368  -8.533  1.00 65.63  ? 210 LEU A CD2 1 
ATOM   555  N N   . ASP A 1 87  ? -21.838 5.395  -11.288 1.00 45.55  ? 211 ASP A N   1 
ATOM   556  C CA  . ASP A 1 87  ? -21.109 4.790  -12.443 1.00 61.88  ? 211 ASP A CA  1 
ATOM   557  C C   . ASP A 1 87  ? -21.778 5.270  -13.745 1.00 43.48  ? 211 ASP A C   1 
ATOM   558  O O   . ASP A 1 87  ? -21.061 5.460  -14.759 1.00 40.16  ? 211 ASP A O   1 
ATOM   559  C CB  . ASP A 1 87  ? -21.048 3.255  -12.368 1.00 64.63  ? 211 ASP A CB  1 
ATOM   560  C CG  . ASP A 1 87  ? -19.874 2.670  -11.589 1.00 85.85  ? 211 ASP A CG  1 
ATOM   561  O OD1 . ASP A 1 87  ? -18.945 3.436  -11.224 1.00 59.90  ? 211 ASP A OD1 1 
ATOM   562  O OD2 . ASP A 1 87  ? -19.889 1.437  -11.367 1.00 68.53  ? 211 ASP A OD2 1 
ATOM   563  N N   . SER A 1 88  ? -23.097 5.516  -13.693 1.00 41.66  ? 212 SER A N   1 
ATOM   564  C CA  . SER A 1 88  ? -23.946 6.007  -14.810 1.00 42.21  ? 212 SER A CA  1 
ATOM   565  C C   . SER A 1 88  ? -23.655 7.491  -15.106 1.00 40.16  ? 212 SER A C   1 
ATOM   566  O O   . SER A 1 88  ? -24.119 8.007  -16.148 1.00 45.26  ? 212 SER A O   1 
ATOM   567  C CB  . SER A 1 88  ? -25.454 5.766  -14.543 1.00 54.06  ? 212 SER A CB  1 
ATOM   568  O OG  . SER A 1 88  ? -25.817 6.131  -13.212 1.00 51.79  ? 212 SER A OG  1 
ATOM   569  N N   . GLY A 1 89  ? -22.874 8.170  -14.262 1.00 36.27  ? 213 GLY A N   1 
ATOM   570  C CA  . GLY A 1 89  ? -22.524 9.580  -14.480 1.00 42.66  ? 213 GLY A CA  1 
ATOM   571  C C   . GLY A 1 89  ? -23.166 10.424 -13.411 1.00 45.08  ? 213 GLY A C   1 
ATOM   572  O O   . GLY A 1 89  ? -24.373 10.208 -13.097 1.00 44.32  ? 213 GLY A O   1 
ATOM   573  N N   . GLY A 1 90  ? -22.374 11.280 -12.784 1.00 34.80  ? 214 GLY A N   1 
ATOM   574  C CA  . GLY A 1 90  ? -22.930 12.307 -11.889 1.00 35.66  ? 214 GLY A CA  1 
ATOM   575  C C   . GLY A 1 90  ? -22.486 12.102 -10.471 1.00 30.60  ? 214 GLY A C   1 
ATOM   576  O O   . GLY A 1 90  ? -21.908 11.060 -10.151 1.00 33.08  ? 214 GLY A O   1 
ATOM   577  N N   . PHE A 1 91  ? -22.794 13.091 -9.662  1.00 25.18  ? 215 PHE A N   1 
ATOM   578  C CA  . PHE A 1 91  ? -22.323 13.222 -8.269  1.00 24.35  ? 215 PHE A CA  1 
ATOM   579  C C   . PHE A 1 91  ? -23.450 13.720 -7.378  1.00 24.07  ? 215 PHE A C   1 
ATOM   580  O O   . PHE A 1 91  ? -24.244 14.536 -7.826  1.00 27.45  ? 215 PHE A O   1 
ATOM   581  C CB  . PHE A 1 91  ? -21.165 14.221 -8.205  1.00 24.14  ? 215 PHE A CB  1 
ATOM   582  C CG  . PHE A 1 91  ? -20.000 13.836 -9.056  1.00 24.58  ? 215 PHE A CG  1 
ATOM   583  C CD1 . PHE A 1 91  ? -18.955 13.098 -8.517  1.00 26.26  ? 215 PHE A CD1 1 
ATOM   584  C CD2 . PHE A 1 91  ? -19.897 14.285 -10.363 1.00 26.56  ? 215 PHE A CD2 1 
ATOM   585  C CE1 . PHE A 1 91  ? -17.880 12.732 -9.307  1.00 32.42  ? 215 PHE A CE1 1 
ATOM   586  C CE2 . PHE A 1 91  ? -18.819 13.927 -11.144 1.00 28.30  ? 215 PHE A CE2 1 
ATOM   587  C CZ  . PHE A 1 91  ? -17.792 13.187 -10.608 1.00 26.58  ? 215 PHE A CZ  1 
ATOM   588  N N   . TYR A 1 92  ? -23.415 13.327 -6.104  1.00 25.59  ? 216 TYR A N   1 
ATOM   589  C CA  . TYR A 1 92  ? -24.367 13.863 -5.116  1.00 25.70  ? 216 TYR A CA  1 
ATOM   590  C C   . TYR A 1 92  ? -23.835 13.744 -3.686  1.00 24.77  ? 216 TYR A C   1 
ATOM   591  O O   . TYR A 1 92  ? -23.103 12.808 -3.366  1.00 24.75  ? 216 TYR A O   1 
ATOM   592  C CB  . TYR A 1 92  ? -25.722 13.167 -5.261  1.00 27.30  ? 216 TYR A CB  1 
ATOM   593  C CG  . TYR A 1 92  ? -25.807 11.747 -4.739  1.00 29.12  ? 216 TYR A CG  1 
ATOM   594  C CD1 . TYR A 1 92  ? -26.147 11.519 -3.419  1.00 32.84  ? 216 TYR A CD1 1 
ATOM   595  C CD2 . TYR A 1 92  ? -25.565 10.640 -5.532  1.00 40.20  ? 216 TYR A CD2 1 
ATOM   596  C CE1 . TYR A 1 92  ? -26.241 10.243 -2.882  1.00 34.46  ? 216 TYR A CE1 1 
ATOM   597  C CE2 . TYR A 1 92  ? -25.655 9.350  -5.012  1.00 32.68  ? 216 TYR A CE2 1 
ATOM   598  C CZ  . TYR A 1 92  ? -26.000 9.144  -3.682  1.00 28.28  ? 216 TYR A CZ  1 
ATOM   599  O OH  . TYR A 1 92  ? -26.110 7.870  -3.144  1.00 33.71  ? 216 TYR A OH  1 
ATOM   600  N N   . ILE A 1 93  ? -24.317 14.650 -2.838  1.00 22.68  ? 217 ILE A N   1 
ATOM   601  C CA  . ILE A 1 93  ? -24.306 14.539 -1.345  1.00 26.83  ? 217 ILE A CA  1 
ATOM   602  C C   . ILE A 1 93  ? -25.696 14.026 -0.841  1.00 33.62  ? 217 ILE A C   1 
ATOM   603  O O   . ILE A 1 93  ? -25.652 13.154 0.025   1.00 32.15  ? 217 ILE A O   1 
ATOM   604  C CB  . ILE A 1 93  ? -23.872 15.886 -0.730  1.00 28.72  ? 217 ILE A CB  1 
ATOM   605  C CG1 . ILE A 1 93  ? -22.441 16.256 -1.139  1.00 24.11  ? 217 ILE A CG1 1 
ATOM   606  C CG2 . ILE A 1 93  ? -24.012 15.854 0.781   1.00 31.12  ? 217 ILE A CG2 1 
ATOM   607  C CD1 . ILE A 1 93  ? -22.007 17.670 -0.782  1.00 25.87  ? 217 ILE A CD1 1 
ATOM   608  N N   . THR A 1 94  ? -26.847 14.509 -1.387  1.00 35.79  ? 218 THR A N   1 
ATOM   609  C CA  A THR A 1 94  ? -28.253 14.035 -1.136  0.50 44.86  ? 218 THR A CA  1 
ATOM   610  C CA  B THR A 1 94  ? -28.262 13.999 -1.125  0.50 49.13  ? 218 THR A CA  1 
ATOM   611  C C   . THR A 1 94  ? -28.795 13.451 -2.456  1.00 50.50  ? 218 THR A C   1 
ATOM   612  O O   . THR A 1 94  ? -28.626 14.139 -3.479  1.00 37.22  ? 218 THR A O   1 
ATOM   613  C CB  A THR A 1 94  ? -29.146 15.200 -0.669  0.50 62.63  ? 218 THR A CB  1 
ATOM   614  C CB  B THR A 1 94  ? -29.113 15.109 -0.501  0.50 72.49  ? 218 THR A CB  1 
ATOM   615  O OG1 A THR A 1 94  ? -28.402 16.199 0.104   0.50 72.11  ? 218 THR A OG1 1 
ATOM   616  O OG1 B THR A 1 94  ? -29.247 16.187 -1.447  0.50 42.26  ? 218 THR A OG1 1 
ATOM   617  C CG2 A THR A 1 94  ? -30.325 14.699 0.153   0.50 67.65  ? 218 THR A CG2 1 
ATOM   618  C CG2 B THR A 1 94  ? -28.499 15.626 0.792   0.50 70.39  ? 218 THR A CG2 1 
ATOM   619  N N   . SER A 1 95  ? -29.330 12.217 -2.478  1.00 60.13  ? 219 SER A N   1 
ATOM   620  C CA  . SER A 1 95  ? -29.601 11.536 -3.789  1.00 81.91  ? 219 SER A CA  1 
ATOM   621  C C   . SER A 1 95  ? -30.636 12.318 -4.699  1.00 62.63  ? 219 SER A C   1 
ATOM   622  O O   . SER A 1 95  ? -30.440 12.191 -5.981  1.00 63.98  ? 219 SER A O   1 
ATOM   623  C CB  . SER A 1 95  ? -30.068 10.104 -3.627  1.00 77.99  ? 219 SER A CB  1 
ATOM   624  O OG  . SER A 1 95  ? -31.319 10.096 -2.963  1.00 100.27 ? 219 SER A OG  1 
ATOM   625  N N   . ARG A 1 96  ? -31.433 13.190 -4.080  1.00 48.65  ? 220 ARG A N   1 
ATOM   626  C CA  . ARG A 1 96  ? -32.505 14.011 -4.698  1.00 70.41  ? 220 ARG A CA  1 
ATOM   627  C C   . ARG A 1 96  ? -31.911 15.179 -5.483  1.00 73.42  ? 220 ARG A C   1 
ATOM   628  O O   . ARG A 1 96  ? -32.575 15.753 -6.341  1.00 64.54  ? 220 ARG A O   1 
ATOM   629  C CB  . ARG A 1 96  ? -33.371 14.607 -3.581  1.00 97.09  ? 220 ARG A CB  1 
ATOM   630  C CG  . ARG A 1 96  ? -32.612 15.435 -2.551  1.00 99.43  ? 220 ARG A CG  1 
ATOM   631  C CD  . ARG A 1 96  ? -33.390 16.547 -1.855  1.00 122.17 ? 220 ARG A CD  1 
ATOM   632  N NE  . ARG A 1 96  ? -32.863 16.966 -0.556  1.00 134.18 ? 220 ARG A NE  1 
ATOM   633  C CZ  . ARG A 1 96  ? -32.648 18.226 -0.179  1.00 78.47  ? 220 ARG A CZ  1 
ATOM   634  N NH1 . ARG A 1 96  ? -32.906 19.221 -1.005  1.00 83.75  ? 220 ARG A NH1 1 
ATOM   635  N NH2 . ARG A 1 96  ? -32.153 18.492 1.015   1.00 116.63 ? 220 ARG A NH2 1 
ATOM   636  N N   . THR A 1 97  ? -30.658 15.467 -5.209  1.00 41.46  ? 221 THR A N   1 
ATOM   637  C CA  . THR A 1 97  ? -29.926 16.658 -5.778  1.00 46.37  ? 221 THR A CA  1 
ATOM   638  C C   . THR A 1 97  ? -28.594 16.259 -6.408  1.00 36.35  ? 221 THR A C   1 
ATOM   639  O O   . THR A 1 97  ? -27.552 16.269 -5.677  1.00 34.68  ? 221 THR A O   1 
ATOM   640  C CB  . THR A 1 97  ? -29.647 17.724 -4.722  1.00 39.84  ? 221 THR A CB  1 
ATOM   641  O OG1 . THR A 1 97  ? -30.903 17.999 -4.108  1.00 47.39  ? 221 THR A OG1 1 
ATOM   642  C CG2 . THR A 1 97  ? -29.065 19.003 -5.290  1.00 42.26  ? 221 THR A CG2 1 
ATOM   643  N N   . GLN A 1 98  ? -28.638 15.972 -7.719  1.00 37.83  ? 222 GLN A N   1 
ATOM   644  C CA  . GLN A 1 98  ? -27.511 15.366 -8.471  1.00 31.21  ? 222 GLN A CA  1 
ATOM   645  C C   . GLN A 1 98  ? -26.921 16.403 -9.420  1.00 30.93  ? 222 GLN A C   1 
ATOM   646  O O   . GLN A 1 98  ? -27.670 17.308 -9.920  1.00 35.80  ? 222 GLN A O   1 
ATOM   647  C CB  . GLN A 1 98  ? -27.953 14.133 -9.259  1.00 40.07  ? 222 GLN A CB  1 
ATOM   648  C CG  . GLN A 1 98  ? -28.405 12.995 -8.359  1.00 44.86  ? 222 GLN A CG  1 
ATOM   649  C CD  . GLN A 1 98  ? -28.647 11.690 -9.094  1.00 42.90  ? 222 GLN A CD  1 
ATOM   650  O OE1 . GLN A 1 98  ? -28.242 11.486 -10.264 1.00 46.13  ? 222 GLN A OE1 1 
ATOM   651  N NE2 . GLN A 1 98  ? -29.271 10.772 -8.375  1.00 43.80  ? 222 GLN A NE2 1 
ATOM   652  N N   . PHE A 1 99  ? -25.620 16.260 -9.664  1.00 28.49  ? 223 PHE A N   1 
ATOM   653  C CA  . PHE A 1 99  ? -24.807 17.177 -10.474 1.00 28.67  ? 223 PHE A CA  1 
ATOM   654  C C   . PHE A 1 99  ? -24.059 16.384 -11.535 1.00 30.88  ? 223 PHE A C   1 
ATOM   655  O O   . PHE A 1 99  ? -23.628 15.274 -11.218 1.00 31.27  ? 223 PHE A O   1 
ATOM   656  C CB  . PHE A 1 99  ? -23.838 17.943 -9.585  1.00 27.26  ? 223 PHE A CB  1 
ATOM   657  C CG  . PHE A 1 99  ? -24.526 18.685 -8.478  1.00 26.98  ? 223 PHE A CG  1 
ATOM   658  C CD1 . PHE A 1 99  ? -25.124 19.908 -8.719  1.00 30.12  ? 223 PHE A CD1 1 
ATOM   659  C CD2 . PHE A 1 99  ? -24.611 18.125 -7.212  1.00 27.19  ? 223 PHE A CD2 1 
ATOM   660  C CE1 . PHE A 1 99  ? -25.790 20.570 -7.706  1.00 31.90  ? 223 PHE A CE1 1 
ATOM   661  C CE2 . PHE A 1 99  ? -25.277 18.791 -6.201  1.00 27.46  ? 223 PHE A CE2 1 
ATOM   662  C CZ  . PHE A 1 99  ? -25.843 20.020 -6.449  1.00 30.04  ? 223 PHE A CZ  1 
ATOM   663  N N   . ASN A 1 100 ? -23.831 16.955 -12.717 1.00 30.42  ? 224 ASN A N   1 
ATOM   664  C CA  . ASN A 1 100 ? -23.096 16.244 -13.788 1.00 37.17  ? 224 ASN A CA  1 
ATOM   665  C C   . ASN A 1 100 ? -21.588 16.345 -13.558 1.00 30.78  ? 224 ASN A C   1 
ATOM   666  O O   . ASN A 1 100 ? -20.842 15.683 -14.278 1.00 32.89  ? 224 ASN A O   1 
ATOM   667  C CB  . ASN A 1 100 ? -23.447 16.821 -15.188 1.00 39.80  ? 224 ASN A CB  1 
ATOM   668  C CG  . ASN A 1 100 ? -24.904 16.691 -15.621 1.00 64.08  ? 224 ASN A CG  1 
ATOM   669  O OD1 . ASN A 1 100 ? -25.619 15.755 -15.230 1.00 70.21  ? 224 ASN A OD1 1 
ATOM   670  N ND2 . ASN A 1 100 ? -25.353 17.602 -16.477 1.00 77.50  ? 224 ASN A ND2 1 
ATOM   671  N N   . SER A 1 101 ? -21.142 17.186 -12.615 1.00 28.97  ? 225 SER A N   1 
ATOM   672  C CA  . SER A 1 101 ? -19.697 17.441 -12.391 1.00 24.17  ? 225 SER A CA  1 
ATOM   673  C C   . SER A 1 101 ? -19.470 17.925 -10.960 1.00 23.64  ? 225 SER A C   1 
ATOM   674  O O   . SER A 1 101 ? -20.418 18.483 -10.366 1.00 24.41  ? 225 SER A O   1 
ATOM   675  C CB  . SER A 1 101 ? -19.175 18.508 -13.350 1.00 25.46  ? 225 SER A CB  1 
ATOM   676  O OG  . SER A 1 101 ? -19.795 19.794 -13.170 1.00 27.86  ? 225 SER A OG  1 
ATOM   677  N N   . LEU A 1 102 ? -18.251 17.747 -10.451 1.00 25.29  ? 226 LEU A N   1 
ATOM   678  C CA  . LEU A 1 102 ? -17.868 18.363 -9.161  1.00 21.81  ? 226 LEU A CA  1 
ATOM   679  C C   . LEU A 1 102 ? -17.914 19.890 -9.260  1.00 23.32  ? 226 LEU A C   1 
ATOM   680  O O   . LEU A 1 102 ? -18.316 20.548 -8.294  1.00 22.43  ? 226 LEU A O   1 
ATOM   681  C CB  . LEU A 1 102 ? -16.488 17.860 -8.758  1.00 22.05  ? 226 LEU A CB  1 
ATOM   682  C CG  . LEU A 1 102 ? -16.443 16.397 -8.340  1.00 23.89  ? 226 LEU A CG  1 
ATOM   683  C CD1 . LEU A 1 102 ? -15.006 15.990 -8.200  1.00 28.06  ? 226 LEU A CD1 1 
ATOM   684  C CD2 . LEU A 1 102 ? -17.236 16.100 -7.095  1.00 27.26  ? 226 LEU A CD2 1 
ATOM   685  N N   . GLN A 1 103 ? -17.579 20.454 -10.410 1.00 24.44  ? 227 GLN A N   1 
ATOM   686  C CA  . GLN A 1 103 ? -17.640 21.916 -10.604 1.00 22.64  ? 227 GLN A CA  1 
ATOM   687  C C   . GLN A 1 103 ? -19.069 22.417 -10.383 1.00 22.14  ? 227 GLN A C   1 
ATOM   688  O O   . GLN A 1 103 ? -19.208 23.470 -9.744  1.00 24.54  ? 227 GLN A O   1 
ATOM   689  C CB  . GLN A 1 103 ? -17.174 22.202 -12.025 1.00 25.31  ? 227 GLN A CB  1 
ATOM   690  C CG  . GLN A 1 103 ? -15.692 21.906 -12.219 1.00 34.36  ? 227 GLN A CG  1 
ATOM   691  C CD  . GLN A 1 103 ? -15.262 20.567 -12.768 1.00 40.29  ? 227 GLN A CD  1 
ATOM   692  O OE1 . GLN A 1 103 ? -15.951 19.525 -12.573 1.00 32.18  ? 227 GLN A OE1 1 
ATOM   693  N NE2 . GLN A 1 103 ? -14.059 20.616 -13.384 1.00 31.79  ? 227 GLN A NE2 1 
ATOM   694  N N   . GLN A 1 104 ? -20.085 21.703 -10.918 1.00 24.03  ? 228 GLN A N   1 
ATOM   695  C CA  . GLN A 1 104 ? -21.530 22.071 -10.783 1.00 24.31  ? 228 GLN A CA  1 
ATOM   696  C C   . GLN A 1 104 ? -21.909 21.981 -9.297  1.00 23.91  ? 228 GLN A C   1 
ATOM   697  O O   . GLN A 1 104 ? -22.638 22.834 -8.804  1.00 24.38  ? 228 GLN A O   1 
ATOM   698  C CB  . GLN A 1 104 ? -22.419 21.184 -11.678 1.00 28.49  ? 228 GLN A CB  1 
ATOM   699  C CG  . GLN A 1 104 ? -23.782 21.751 -12.062 1.00 72.74  ? 228 GLN A CG  1 
ATOM   700  C CD  . GLN A 1 104 ? -24.910 20.819 -12.506 1.00 66.31  ? 228 GLN A CD  1 
ATOM   701  O OE1 . GLN A 1 104 ? -24.739 19.762 -13.199 1.00 64.52  ? 228 GLN A OE1 1 
ATOM   702  N NE2 . GLN A 1 104 ? -26.149 21.238 -12.131 1.00 56.05  ? 228 GLN A NE2 1 
ATOM   703  N N   . LEU A 1 105 ? -21.423 20.954 -8.607  1.00 22.43  ? 229 LEU A N   1 
ATOM   704  C CA  . LEU A 1 105 ? -21.752 20.723 -7.182  1.00 22.43  ? 229 LEU A CA  1 
ATOM   705  C C   . LEU A 1 105 ? -21.204 21.904 -6.363  1.00 23.03  ? 229 LEU A C   1 
ATOM   706  O O   . LEU A 1 105 ? -21.921 22.450 -5.523  1.00 23.46  ? 229 LEU A O   1 
ATOM   707  C CB  . LEU A 1 105 ? -21.130 19.398 -6.764  1.00 22.45  ? 229 LEU A CB  1 
ATOM   708  C CG  . LEU A 1 105 ? -21.423 18.958 -5.329  1.00 22.36  ? 229 LEU A CG  1 
ATOM   709  C CD1 . LEU A 1 105 ? -21.424 17.448 -5.256  1.00 24.51  ? 229 LEU A CD1 1 
ATOM   710  C CD2 . LEU A 1 105 ? -20.417 19.537 -4.345  1.00 27.21  ? 229 LEU A CD2 1 
ATOM   711  N N   . VAL A 1 106 ? -19.945 22.265 -6.591  1.00 21.70  ? 230 VAL A N   1 
ATOM   712  C CA  . VAL A 1 106 ? -19.294 23.369 -5.850  1.00 21.76  ? 230 VAL A CA  1 
ATOM   713  C C   . VAL A 1 106 ? -20.070 24.671 -6.119  1.00 22.33  ? 230 VAL A C   1 
ATOM   714  O O   . VAL A 1 106 ? -20.286 25.444 -5.174  1.00 22.99  ? 230 VAL A O   1 
ATOM   715  C CB  . VAL A 1 106 ? -17.805 23.462 -6.223  1.00 20.85  ? 230 VAL A CB  1 
ATOM   716  C CG1 . VAL A 1 106 ? -17.213 24.803 -5.800  1.00 23.60  ? 230 VAL A CG1 1 
ATOM   717  C CG2 . VAL A 1 106 ? -17.074 22.299 -5.599  1.00 23.00  ? 230 VAL A CG2 1 
ATOM   718  N N   . ALA A 1 107 ? -20.446 24.946 -7.378  1.00 21.88  ? 231 ALA A N   1 
ATOM   719  C CA  . ALA A 1 107 ? -21.166 26.185 -7.705  1.00 24.82  ? 231 ALA A CA  1 
ATOM   720  C C   . ALA A 1 107 ? -22.485 26.222 -6.918  1.00 23.25  ? 231 ALA A C   1 
ATOM   721  O O   . ALA A 1 107 ? -22.840 27.252 -6.355  1.00 25.30  ? 231 ALA A O   1 
ATOM   722  C CB  . ALA A 1 107 ? -21.396 26.297 -9.193  1.00 23.25  ? 231 ALA A CB  1 
ATOM   723  N N   . TYR A 1 108 ? -23.205 25.111 -6.898  1.00 22.05  ? 232 TYR A N   1 
ATOM   724  C CA  . TYR A 1 108 ? -24.528 25.025 -6.253  1.00 24.11  ? 232 TYR A CA  1 
ATOM   725  C C   . TYR A 1 108 ? -24.420 25.298 -4.757  1.00 25.34  ? 232 TYR A C   1 
ATOM   726  O O   . TYR A 1 108 ? -25.163 26.152 -4.242  1.00 26.11  ? 232 TYR A O   1 
ATOM   727  C CB  . TYR A 1 108 ? -25.130 23.659 -6.524  1.00 28.23  ? 232 TYR A CB  1 
ATOM   728  C CG  . TYR A 1 108 ? -26.481 23.479 -5.896  1.00 27.82  ? 232 TYR A CG  1 
ATOM   729  C CD1 . TYR A 1 108 ? -27.617 23.832 -6.588  1.00 31.05  ? 232 TYR A CD1 1 
ATOM   730  C CD2 . TYR A 1 108 ? -26.610 22.953 -4.614  1.00 29.71  ? 232 TYR A CD2 1 
ATOM   731  C CE1 . TYR A 1 108 ? -28.860 23.624 -6.031  1.00 38.68  ? 232 TYR A CE1 1 
ATOM   732  C CE2 . TYR A 1 108 ? -27.849 22.773 -4.021  1.00 32.33  ? 232 TYR A CE2 1 
ATOM   733  C CZ  . TYR A 1 108 ? -28.977 23.110 -4.745  1.00 35.11  ? 232 TYR A CZ  1 
ATOM   734  O OH  . TYR A 1 108 ? -30.236 22.924 -4.223  1.00 37.21  ? 232 TYR A OH  1 
ATOM   735  N N   . TYR A 1 109 ? -23.470 24.642 -4.077  1.00 23.79  ? 233 TYR A N   1 
ATOM   736  C CA  . TYR A 1 109 ? -23.332 24.799 -2.601  1.00 22.85  ? 233 TYR A CA  1 
ATOM   737  C C   . TYR A 1 109 ? -22.638 26.125 -2.247  1.00 23.82  ? 233 TYR A C   1 
ATOM   738  O O   . TYR A 1 109 ? -22.615 26.487 -1.029  1.00 26.03  ? 233 TYR A O   1 
ATOM   739  C CB  . TYR A 1 109 ? -22.711 23.534 -1.993  1.00 23.40  ? 233 TYR A CB  1 
ATOM   740  C CG  . TYR A 1 109 ? -23.647 22.349 -1.961  1.00 24.15  ? 233 TYR A CG  1 
ATOM   741  C CD1 . TYR A 1 109 ? -24.796 22.348 -1.170  1.00 25.97  ? 233 TYR A CD1 1 
ATOM   742  C CD2 . TYR A 1 109 ? -23.454 21.256 -2.809  1.00 23.05  ? 233 TYR A CD2 1 
ATOM   743  C CE1 . TYR A 1 109 ? -25.672 21.263 -1.173  1.00 28.35  ? 233 TYR A CE1 1 
ATOM   744  C CE2 . TYR A 1 109 ? -24.309 20.174 -2.817  1.00 24.53  ? 233 TYR A CE2 1 
ATOM   745  C CZ  . TYR A 1 109 ? -25.449 20.176 -2.015  1.00 27.67  ? 233 TYR A CZ  1 
ATOM   746  O OH  . TYR A 1 109 ? -26.296 19.088 -1.964  1.00 29.49  ? 233 TYR A OH  1 
ATOM   747  N N   . SER A 1 110 ? -22.039 26.810 -3.208  1.00 23.98  ? 234 SER A N   1 
ATOM   748  C CA  A SER A 1 110 ? -21.525 28.194 -3.023  0.50 24.11  ? 234 SER A CA  1 
ATOM   749  C CA  B SER A 1 110 ? -21.523 28.192 -3.020  0.50 24.50  ? 234 SER A CA  1 
ATOM   750  C C   . SER A 1 110 ? -22.672 29.200 -2.895  1.00 26.13  ? 234 SER A C   1 
ATOM   751  O O   . SER A 1 110 ? -22.459 30.253 -2.279  1.00 29.80  ? 234 SER A O   1 
ATOM   752  C CB  A SER A 1 110 ? -20.570 28.613 -4.126  0.50 25.08  ? 234 SER A CB  1 
ATOM   753  C CB  B SER A 1 110 ? -20.577 28.590 -4.129  0.50 26.74  ? 234 SER A CB  1 
ATOM   754  O OG  A SER A 1 110 ? -21.246 29.032 -5.303  0.50 23.36  ? 234 SER A OG  1 
ATOM   755  O OG  B SER A 1 110 ? -19.434 27.737 -4.150  0.50 31.73  ? 234 SER A OG  1 
ATOM   756  N N   . LYS A 1 111 ? -23.811 28.915 -3.530  1.00 26.51  ? 235 LYS A N   1 
ATOM   757  C CA  . LYS A 1 111 ? -24.949 29.850 -3.553  1.00 30.01  ? 235 LYS A CA  1 
ATOM   758  C C   . LYS A 1 111 ? -25.729 29.742 -2.234  1.00 35.67  ? 235 LYS A C   1 
ATOM   759  O O   . LYS A 1 111 ? -26.085 30.812 -1.664  1.00 36.38  ? 235 LYS A O   1 
ATOM   760  C CB  . LYS A 1 111 ? -25.857 29.577 -4.751  1.00 34.83  ? 235 LYS A CB  1 
ATOM   761  C CG  . LYS A 1 111 ? -25.278 29.974 -6.098  1.00 43.81  ? 235 LYS A CG  1 
ATOM   762  C CD  . LYS A 1 111 ? -26.311 30.107 -7.226  1.00 71.40  ? 235 LYS A CD  1 
ATOM   763  C CE  . LYS A 1 111 ? -26.957 31.477 -7.337  1.00 86.89  ? 235 LYS A CE  1 
ATOM   764  N NZ  . LYS A 1 111 ? -26.862 32.003 -8.725  1.00 72.39  ? 235 LYS A NZ  1 
ATOM   765  N N   . HIS A 1 112 ? -26.048 28.517 -1.814  1.00 32.18  ? 236 HIS A N   1 
ATOM   766  C CA  . HIS A 1 112 ? -26.867 28.248 -0.608  1.00 37.88  ? 236 HIS A CA  1 
ATOM   767  C C   . HIS A 1 112 ? -26.345 26.976 0.082   1.00 31.05  ? 236 HIS A C   1 
ATOM   768  O O   . HIS A 1 112 ? -25.884 26.060 -0.616  1.00 32.26  ? 236 HIS A O   1 
ATOM   769  C CB  . HIS A 1 112 ? -28.360 28.137 -0.981  1.00 50.25  ? 236 HIS A CB  1 
ATOM   770  C CG  . HIS A 1 112 ? -28.910 29.289 -1.765  1.00 59.97  ? 236 HIS A CG  1 
ATOM   771  N ND1 . HIS A 1 112 ? -29.120 30.565 -1.219  1.00 43.80  ? 236 HIS A ND1 1 
ATOM   772  C CD2 . HIS A 1 112 ? -29.341 29.358 -3.046  1.00 54.69  ? 236 HIS A CD2 1 
ATOM   773  C CE1 . HIS A 1 112 ? -29.635 31.360 -2.154  1.00 46.54  ? 236 HIS A CE1 1 
ATOM   774  N NE2 . HIS A 1 112 ? -29.793 30.644 -3.267  1.00 56.46  ? 236 HIS A NE2 1 
ATOM   775  N N   . ALA A 1 113 ? -26.503 26.893 1.402   1.00 31.30  ? 237 ALA A N   1 
ATOM   776  C CA  . ALA A 1 113 ? -26.205 25.698 2.212   1.00 31.77  ? 237 ALA A CA  1 
ATOM   777  C C   . ALA A 1 113 ? -27.035 24.525 1.692   1.00 34.88  ? 237 ALA A C   1 
ATOM   778  O O   . ALA A 1 113 ? -26.480 23.411 1.617   1.00 30.73  ? 237 ALA A O   1 
ATOM   779  C CB  . ALA A 1 113 ? -26.491 25.992 3.687   1.00 34.29  ? 237 ALA A CB  1 
ATOM   780  N N   . ASP A 1 114 ? -28.345 24.727 1.455   1.00 36.13  ? 238 ASP A N   1 
ATOM   781  C CA  . ASP A 1 114 ? -29.306 23.637 1.116   1.00 38.47  ? 238 ASP A CA  1 
ATOM   782  C C   . ASP A 1 114 ? -28.951 22.323 1.827   1.00 36.66  ? 238 ASP A C   1 
ATOM   783  O O   . ASP A 1 114 ? -28.774 21.279 1.111   1.00 40.21  ? 238 ASP A O   1 
ATOM   784  C CB  . ASP A 1 114 ? -29.430 23.368 -0.386  1.00 37.03  ? 238 ASP A CB  1 
ATOM   785  C CG  . ASP A 1 114 ? -30.660 22.548 -0.775  1.00 56.53  ? 238 ASP A CG  1 
ATOM   786  O OD1 . ASP A 1 114 ? -31.648 22.498 0.022   1.00 71.26  ? 238 ASP A OD1 1 
ATOM   787  O OD2 . ASP A 1 114 ? -30.643 21.973 -1.885  1.00 50.14  ? 238 ASP A OD2 1 
ATOM   788  N N   . GLY A 1 115 ? -28.836 22.336 3.161   1.00 36.83  ? 239 GLY A N   1 
ATOM   789  C CA  . GLY A 1 115 ? -28.634 21.087 3.921   1.00 48.58  ? 239 GLY A CA  1 
ATOM   790  C C   . GLY A 1 115 ? -27.229 20.935 4.485   1.00 47.56  ? 239 GLY A C   1 
ATOM   791  O O   . GLY A 1 115 ? -27.060 20.176 5.469   1.00 43.95  ? 239 GLY A O   1 
ATOM   792  N N   . LEU A 1 116 ? -26.219 21.601 3.912   1.00 33.29  ? 240 LEU A N   1 
ATOM   793  C CA  . LEU A 1 116 ? -24.913 21.711 4.604   1.00 29.60  ? 240 LEU A CA  1 
ATOM   794  C C   . LEU A 1 116 ? -25.070 22.644 5.809   1.00 29.55  ? 240 LEU A C   1 
ATOM   795  O O   . LEU A 1 116 ? -26.075 23.364 5.884   1.00 31.30  ? 240 LEU A O   1 
ATOM   796  C CB  . LEU A 1 116 ? -23.828 22.265 3.671   1.00 26.64  ? 240 LEU A CB  1 
ATOM   797  C CG  . LEU A 1 116 ? -23.693 21.617 2.299   1.00 29.38  ? 240 LEU A CG  1 
ATOM   798  C CD1 . LEU A 1 116 ? -22.548 22.261 1.533   1.00 30.40  ? 240 LEU A CD1 1 
ATOM   799  C CD2 . LEU A 1 116 ? -23.496 20.130 2.414   1.00 33.78  ? 240 LEU A CD2 1 
ATOM   800  N N   . SER A 1 117 ? -24.077 22.666 6.695   1.00 28.56  ? 241 SER A N   1 
ATOM   801  C CA  . SER A 1 117 ? -24.024 23.602 7.851   1.00 28.65  ? 241 SER A CA  1 
ATOM   802  C C   . SER A 1 117 ? -24.038 25.047 7.351   1.00 32.34  ? 241 SER A C   1 
ATOM   803  O O   . SER A 1 117 ? -24.670 25.896 7.974   1.00 31.90  ? 241 SER A O   1 
ATOM   804  C CB  . SER A 1 117 ? -22.851 23.306 8.754   1.00 37.73  ? 241 SER A CB  1 
ATOM   805  O OG  . SER A 1 117 ? -23.073 22.030 9.383   1.00 41.37  ? 241 SER A OG  1 
ATOM   806  N N   . HIS A 1 118 ? -23.305 25.296 6.263   1.00 28.08  ? 242 HIS A N   1 
ATOM   807  C CA  . HIS A 1 118 ? -23.075 26.651 5.742   1.00 26.99  ? 242 HIS A CA  1 
ATOM   808  C C   . HIS A 1 118 ? -22.693 26.515 4.275   1.00 26.81  ? 242 HIS A C   1 
ATOM   809  O O   . HIS A 1 118 ? -22.025 25.549 3.903   1.00 26.54  ? 242 HIS A O   1 
ATOM   810  C CB  . HIS A 1 118 ? -21.985 27.356 6.568   1.00 25.81  ? 242 HIS A CB  1 
ATOM   811  C CG  . HIS A 1 118 ? -21.838 28.835 6.368   1.00 33.68  ? 242 HIS A CG  1 
ATOM   812  N ND1 . HIS A 1 118 ? -21.106 29.383 5.323   1.00 28.68  ? 242 HIS A ND1 1 
ATOM   813  C CD2 . HIS A 1 118 ? -22.291 29.886 7.098   1.00 32.26  ? 242 HIS A CD2 1 
ATOM   814  C CE1 . HIS A 1 118 ? -21.153 30.710 5.407   1.00 31.72  ? 242 HIS A CE1 1 
ATOM   815  N NE2 . HIS A 1 118 ? -21.850 31.042 6.510   1.00 36.00  ? 242 HIS A NE2 1 
ATOM   816  N N   . ARG A 1 119 ? -23.031 27.524 3.505   1.00 26.17  ? 243 ARG A N   1 
ATOM   817  C CA  . ARG A 1 119 ? -22.621 27.572 2.091   1.00 25.03  ? 243 ARG A CA  1 
ATOM   818  C C   . ARG A 1 119 ? -21.098 27.667 1.994   1.00 24.25  ? 243 ARG A C   1 
ATOM   819  O O   . ARG A 1 119 ? -20.393 28.148 2.933   1.00 26.12  ? 243 ARG A O   1 
ATOM   820  C CB  . ARG A 1 119 ? -23.294 28.731 1.379   1.00 27.38  ? 243 ARG A CB  1 
ATOM   821  C CG  . ARG A 1 119 ? -22.711 30.097 1.668   1.00 30.34  ? 243 ARG A CG  1 
ATOM   822  C CD  . ARG A 1 119 ? -23.532 31.153 0.957   1.00 34.79  ? 243 ARG A CD  1 
ATOM   823  N NE  . ARG A 1 119 ? -22.930 32.466 1.143   1.00 33.97  ? 243 ARG A NE  1 
ATOM   824  C CZ  . ARG A 1 119 ? -22.227 33.141 0.239   1.00 41.17  ? 243 ARG A CZ  1 
ATOM   825  N NH1 . ARG A 1 119 ? -21.998 32.655 -0.972  1.00 55.98  ? 243 ARG A NH1 1 
ATOM   826  N NH2 . ARG A 1 119 ? -21.753 34.325 0.575   1.00 46.25  ? 243 ARG A NH2 1 
ATOM   827  N N   . LEU A 1 120 ? -20.605 27.305 0.814   1.00 23.46  ? 244 LEU A N   1 
ATOM   828  C CA  . LEU A 1 120 ? -19.164 27.455 0.480   1.00 24.12  ? 244 LEU A CA  1 
ATOM   829  C C   . LEU A 1 120 ? -18.899 28.924 0.178   1.00 24.97  ? 244 LEU A C   1 
ATOM   830  O O   . LEU A 1 120 ? -19.694 29.545 -0.537  1.00 27.82  ? 244 LEU A O   1 
ATOM   831  C CB  . LEU A 1 120 ? -18.854 26.560 -0.697  1.00 22.94  ? 244 LEU A CB  1 
ATOM   832  C CG  . LEU A 1 120 ? -19.280 25.095 -0.567  1.00 24.49  ? 244 LEU A CG  1 
ATOM   833  C CD1 . LEU A 1 120 ? -18.879 24.331 -1.828  1.00 24.04  ? 244 LEU A CD1 1 
ATOM   834  C CD2 . LEU A 1 120 ? -18.728 24.463 0.702   1.00 24.52  ? 244 LEU A CD2 1 
ATOM   835  N N   . THR A 1 121 ? -17.864 29.489 0.792   1.00 24.78  ? 245 THR A N   1 
ATOM   836  C CA  . THR A 1 121 ? -17.540 30.924 0.608   1.00 29.92  ? 245 THR A CA  1 
ATOM   837  C C   . THR A 1 121 ? -16.172 31.121 -0.044  1.00 27.57  ? 245 THR A C   1 
ATOM   838  O O   . THR A 1 121 ? -15.998 32.137 -0.747  1.00 30.81  ? 245 THR A O   1 
ATOM   839  C CB  . THR A 1 121 ? -17.606 31.662 1.950   1.00 25.38  ? 245 THR A CB  1 
ATOM   840  O OG1 . THR A 1 121 ? -16.577 31.141 2.790   1.00 28.16  ? 245 THR A OG1 1 
ATOM   841  C CG2 . THR A 1 121 ? -18.970 31.539 2.580   1.00 29.97  ? 245 THR A CG2 1 
ATOM   842  N N   . THR A 1 122 ? -15.189 30.308 0.326   1.00 27.04  ? 246 THR A N   1 
ATOM   843  C CA  . THR A 1 122 ? -13.751 30.653 0.169   1.00 25.66  ? 246 THR A CA  1 
ATOM   844  C C   . THR A 1 122 ? -12.984 29.377 -0.222  1.00 26.58  ? 246 THR A C   1 
ATOM   845  O O   . THR A 1 122 ? -13.060 28.387 0.481   1.00 25.38  ? 246 THR A O   1 
ATOM   846  C CB  . THR A 1 122 ? -13.196 31.256 1.471   1.00 25.09  ? 246 THR A CB  1 
ATOM   847  O OG1 . THR A 1 122 ? -14.072 32.294 1.934   1.00 29.92  ? 246 THR A OG1 1 
ATOM   848  C CG2 . THR A 1 122 ? -11.814 31.810 1.262   1.00 29.03  ? 246 THR A CG2 1 
ATOM   849  N N   . VAL A 1 123 ? -12.202 29.435 -1.295  1.00 26.31  ? 247 VAL A N   1 
ATOM   850  C CA  . VAL A 1 123 ? -11.335 28.310 -1.652  1.00 24.61  ? 247 VAL A CA  1 
ATOM   851  C C   . VAL A 1 123 ? -10.197 28.283 -0.625  1.00 27.08  ? 247 VAL A C   1 
ATOM   852  O O   . VAL A 1 123 ? -9.559  29.314 -0.316  1.00 27.78  ? 247 VAL A O   1 
ATOM   853  C CB  . VAL A 1 123 ? -10.839 28.381 -3.102  1.00 25.52  ? 247 VAL A CB  1 
ATOM   854  C CG1 . VAL A 1 123 ? -9.755  27.351 -3.340  1.00 26.86  ? 247 VAL A CG1 1 
ATOM   855  C CG2 . VAL A 1 123 ? -11.959 28.286 -4.097  1.00 26.19  ? 247 VAL A CG2 1 
ATOM   856  N N   . SER A 1 124 ? -9.944  27.104 -0.091  1.00 25.45  ? 248 SER A N   1 
ATOM   857  C CA  . SER A 1 124 ? -8.819  26.887 0.841   1.00 26.59  ? 248 SER A CA  1 
ATOM   858  C C   . SER A 1 124 ? -7.579  27.512 0.220   1.00 30.53  ? 248 SER A C   1 
ATOM   859  O O   . SER A 1 124 ? -7.176  27.114 -0.879  1.00 31.28  ? 248 SER A O   1 
ATOM   860  C CB  . SER A 1 124 ? -8.597  25.441 1.067   1.00 29.11  ? 248 SER A CB  1 
ATOM   861  O OG  . SER A 1 124 ? -7.627  25.284 2.093   1.00 30.72  ? 248 SER A OG  1 
ATOM   862  N N   . PRO A 1 125 ? -6.895  28.456 0.908   1.00 27.99  ? 249 PRO A N   1 
ATOM   863  C CA  . PRO A 1 125 ? -5.655  28.995 0.352   1.00 37.52  ? 249 PRO A CA  1 
ATOM   864  C C   . PRO A 1 125 ? -4.525  27.951 0.506   1.00 84.21  ? 249 PRO A C   1 
ATOM   865  O O   . PRO A 1 125 ? -4.595  27.054 1.371   1.00 63.32  ? 249 PRO A O   1 
ATOM   866  C CB  . PRO A 1 125 ? -5.452  30.294 1.155   1.00 51.12  ? 249 PRO A CB  1 
ATOM   867  C CG  . PRO A 1 125 ? -6.167  30.051 2.461   1.00 53.64  ? 249 PRO A CG  1 
ATOM   868  C CD  . PRO A 1 125 ? -7.327  29.102 2.158   1.00 37.07  ? 249 PRO A CD  1 
ATOM   869  N N   . THR A 1 126 ? -3.536  28.003 -0.393  1.00 90.20  ? 250 THR A N   1 
ATOM   870  C CA  . THR A 1 126 ? -2.343  27.111 -0.295  1.00 95.40  ? 250 THR A CA  1 
ATOM   871  C C   . THR A 1 126 ? -1.119  27.861 -0.849  1.00 107.24 ? 250 THR A C   1 
ATOM   872  O O   . THR A 1 126 ? -1.405  28.838 -1.704  1.00 73.64  ? 250 THR A O   1 
ATOM   873  C CB  . THR A 1 126 ? -2.664  25.747 -0.932  1.00 108.31 ? 250 THR A CB  1 
ATOM   874  O OG1 . THR A 1 126 ? -2.296  24.732 0.028   1.00 123.44 ? 250 THR A OG1 1 
ATOM   875  C CG2 . THR A 1 126 ? -1.952  25.503 -2.250  1.00 116.29 ? 250 THR A CG2 1 
HETATM 876  N N   . PTR B 2 .   ? -20.906 12.402 8.172   1.00 48.02  ? 301 PTR A N   1 
HETATM 877  C CA  . PTR B 2 .   ? -19.618 11.825 7.646   1.00 43.33  ? 301 PTR A CA  1 
HETATM 878  C C   . PTR B 2 .   ? -18.465 12.571 8.311   1.00 54.50  ? 301 PTR A C   1 
HETATM 879  O O   . PTR B 2 .   ? -17.353 12.010 8.253   1.00 64.65  ? 301 PTR A O   1 
HETATM 880  O OXT . PTR B 2 .   ? -18.695 13.665 8.958   1.00 67.13  ? 301 PTR A OXT 1 
HETATM 881  C CB  . PTR B 2 .   ? -19.595 11.728 6.114   1.00 39.23  ? 301 PTR A CB  1 
HETATM 882  C CG  . PTR B 2 .   ? -18.285 11.379 5.451   1.00 32.61  ? 301 PTR A CG  1 
HETATM 883  C CD1 . PTR B 2 .   ? -17.830 10.065 5.348   1.00 30.27  ? 301 PTR A CD1 1 
HETATM 884  C CD2 . PTR B 2 .   ? -17.513 12.369 4.854   1.00 32.01  ? 301 PTR A CD2 1 
HETATM 885  C CE1 . PTR B 2 .   ? -16.618 9.756  4.742   1.00 31.00  ? 301 PTR A CE1 1 
HETATM 886  C CE2 . PTR B 2 .   ? -16.306 12.084 4.232   1.00 30.22  ? 301 PTR A CE2 1 
HETATM 887  C CZ  . PTR B 2 .   ? -15.881 10.770 4.149   1.00 26.29  ? 301 PTR A CZ  1 
HETATM 888  O OH  . PTR B 2 .   ? -14.610 10.498 3.536   1.00 27.39  ? 301 PTR A OH  1 
HETATM 889  P P   . PTR B 2 .   ? -13.262 10.541 4.411   1.00 27.52  ? 301 PTR A P   1 
HETATM 890  O O1P . PTR B 2 .   ? -12.115 10.654 3.460   1.00 26.78  ? 301 PTR A O1P 1 
HETATM 891  O O2P . PTR B 2 .   ? -13.338 11.747 5.299   1.00 27.10  ? 301 PTR A O2P 1 
HETATM 892  O O3P . PTR B 2 .   ? -13.182 9.286  5.253   1.00 35.19  ? 301 PTR A O3P 1 
HETATM 893  O O   . HOH C 3 .   ? -8.592  24.050 -17.344 1.00 53.01  ? 401 HOH A O   1 
HETATM 894  O O   . HOH C 3 .   ? -8.992  29.488 -10.972 1.00 65.22  ? 402 HOH A O   1 
HETATM 895  O O   . HOH C 3 .   ? -12.099 14.274 11.509  1.00 59.61  ? 403 HOH A O   1 
HETATM 896  O O   . HOH C 3 .   ? -28.143 19.142 -0.369  1.00 52.89  ? 404 HOH A O   1 
HETATM 897  O O   . HOH C 3 .   ? -4.205  10.050 0.850   1.00 54.94  ? 405 HOH A O   1 
HETATM 898  O O   . HOH C 3 .   ? -17.360 18.902 12.753  1.00 50.70  ? 406 HOH A O   1 
HETATM 899  O O   . HOH C 3 .   ? -22.172 23.670 12.800  1.00 46.05  ? 407 HOH A O   1 
HETATM 900  O O   . HOH C 3 .   ? -27.949 24.610 7.062   1.00 58.21  ? 408 HOH A O   1 
HETATM 901  O O   . HOH C 3 .   ? -18.487 16.176 9.299   1.00 38.48  ? 409 HOH A O   1 
HETATM 902  O O   . HOH C 3 .   ? -4.763  31.686 -7.217  1.00 51.12  ? 410 HOH A O   1 
HETATM 903  O O   . HOH C 3 .   ? -2.785  12.584 7.316   1.00 49.50  ? 411 HOH A O   1 
HETATM 904  O O   . HOH C 3 .   ? -7.598  8.068  -2.142  1.00 49.54  ? 412 HOH A O   1 
HETATM 905  O O   . HOH C 3 .   ? -30.432 19.305 -1.681  1.00 70.55  ? 413 HOH A O   1 
HETATM 906  O O   . HOH C 3 .   ? -12.400 24.702 -19.701 1.00 55.59  ? 414 HOH A O   1 
HETATM 907  O O   . HOH C 3 .   ? -13.238 29.147 9.140   1.00 31.21  ? 415 HOH A O   1 
HETATM 908  O O   . HOH C 3 .   ? -13.856 12.209 -11.153 1.00 52.01  ? 416 HOH A O   1 
HETATM 909  O O   . HOH C 3 .   ? -7.938  4.403  2.184   1.00 51.34  ? 417 HOH A O   1 
HETATM 910  O O   . HOH C 3 .   ? -18.387 5.661  -10.028 1.00 72.11  ? 418 HOH A O   1 
HETATM 911  O O   . HOH C 3 .   ? -26.369 8.721  -13.839 1.00 37.59  ? 419 HOH A O   1 
HETATM 912  O O   . HOH C 3 .   ? -22.209 3.385  -9.685  1.00 47.69  ? 420 HOH A O   1 
HETATM 913  O O   . HOH C 3 .   ? -4.861  8.601  6.336   1.00 45.84  ? 421 HOH A O   1 
HETATM 914  O O   . HOH C 3 .   ? -3.771  25.689 9.575   1.00 58.74  ? 422 HOH A O   1 
HETATM 915  O O   . HOH C 3 .   ? -15.099 24.668 -13.909 1.00 52.35  ? 423 HOH A O   1 
HETATM 916  O O   . HOH C 3 .   ? -13.905 17.513 -15.653 1.00 48.09  ? 424 HOH A O   1 
HETATM 917  O O   . HOH C 3 .   ? -21.445 14.988 6.667   1.00 47.81  ? 425 HOH A O   1 
HETATM 918  O O   . HOH C 3 .   ? -23.428 12.064 1.316   1.00 31.57  ? 426 HOH A O   1 
HETATM 919  O O   . HOH C 3 .   ? -14.085 9.148  7.727   1.00 45.66  ? 427 HOH A O   1 
HETATM 920  O O   . HOH C 3 .   ? -12.567 32.695 10.908  1.00 35.72  ? 428 HOH A O   1 
HETATM 921  O O   . HOH C 3 .   ? -10.108 11.522 -8.820  1.00 48.67  ? 429 HOH A O   1 
HETATM 922  O O   . HOH C 3 .   ? -8.802  31.753 -1.025  1.00 41.39  ? 430 HOH A O   1 
HETATM 923  O O   . HOH C 3 .   ? -32.600 9.821  -5.271  1.00 51.92  ? 431 HOH A O   1 
HETATM 924  O O   . HOH C 3 .   ? -26.275 14.319 -13.093 1.00 62.86  ? 432 HOH A O   1 
HETATM 925  O O   . HOH C 3 .   ? -14.129 34.766 0.939   1.00 36.47  ? 433 HOH A O   1 
HETATM 926  O O   . HOH C 3 .   ? -7.655  15.579 12.806  1.00 62.38  ? 434 HOH A O   1 
HETATM 927  O O   . HOH C 3 .   ? -6.227  26.764 -3.645  1.00 35.51  ? 435 HOH A O   1 
HETATM 928  O O   . HOH C 3 .   ? -17.904 33.951 -1.281  1.00 38.27  ? 436 HOH A O   1 
HETATM 929  O O   . HOH C 3 .   ? -26.958 12.625 2.312   1.00 57.22  ? 437 HOH A O   1 
HETATM 930  O O   . HOH C 3 .   ? -14.011 8.341  -8.801  1.00 51.42  ? 438 HOH A O   1 
HETATM 931  O O   . HOH C 3 .   ? -11.636 26.390 -13.313 1.00 52.67  ? 439 HOH A O   1 
HETATM 932  O O   . HOH C 3 .   ? -26.293 16.688 -3.335  1.00 26.43  ? 440 HOH A O   1 
HETATM 933  O O   . HOH C 3 .   ? -19.758 10.716 -12.416 1.00 60.83  ? 441 HOH A O   1 
HETATM 934  O O   . HOH C 3 .   ? -5.707  29.605 5.671   1.00 51.55  ? 442 HOH A O   1 
HETATM 935  O O   . HOH C 3 .   ? -6.844  11.309 7.684   1.00 33.72  ? 443 HOH A O   1 
HETATM 936  O O   . HOH C 3 .   ? -11.250 27.906 10.237  1.00 32.98  ? 444 HOH A O   1 
HETATM 937  O O   . HOH C 3 .   ? -5.813  17.547 11.684  1.00 60.29  ? 445 HOH A O   1 
HETATM 938  O O   . HOH C 3 .   ? -27.596 5.053  -11.463 1.00 44.04  ? 446 HOH A O   1 
HETATM 939  O O   . HOH C 3 .   ? -20.680 23.637 5.484   1.00 29.15  ? 447 HOH A O   1 
HETATM 940  O O   . HOH C 3 .   ? -13.166 19.590 13.194  1.00 48.19  ? 448 HOH A O   1 
HETATM 941  O O   . HOH C 3 .   ? -24.126 9.489  1.451   1.00 46.39  ? 449 HOH A O   1 
HETATM 942  O O   . HOH C 3 .   ? -2.390  20.091 6.047   1.00 55.91  ? 450 HOH A O   1 
HETATM 943  O O   . HOH C 3 .   ? -18.008 33.329 5.864   1.00 40.75  ? 451 HOH A O   1 
HETATM 944  O O   . HOH C 3 .   ? -1.994  12.393 1.256   1.00 54.41  ? 452 HOH A O   1 
HETATM 945  O O   . HOH C 3 .   ? -12.971 2.173  0.415   1.00 54.26  ? 453 HOH A O   1 
HETATM 946  O O   . HOH C 3 .   ? -11.999 9.067  -5.256  1.00 34.58  ? 454 HOH A O   1 
HETATM 947  O O   . HOH C 3 .   ? -24.921 23.670 -10.132 1.00 37.35  ? 455 HOH A O   1 
HETATM 948  O O   A HOH C 3 .   ? -7.899  11.521 -0.033  0.50 26.19  ? 456 HOH A O   1 
HETATM 949  O O   B HOH C 3 .   ? -8.411  11.853 0.998   0.50 35.18  ? 456 HOH A O   1 
HETATM 950  O O   . HOH C 3 .   ? -19.426 25.323 7.366   1.00 31.92  ? 457 HOH A O   1 
HETATM 951  O O   . HOH C 3 .   ? -25.497 33.295 -2.774  1.00 50.83  ? 458 HOH A O   1 
HETATM 952  O O   . HOH C 3 .   ? -3.010  17.866 -2.285  1.00 33.08  ? 459 HOH A O   1 
HETATM 953  O O   . HOH C 3 .   ? -19.406 31.577 -2.444  1.00 37.73  ? 460 HOH A O   1 
HETATM 954  O O   . HOH C 3 .   ? -30.986 16.081 -9.244  1.00 49.66  ? 461 HOH A O   1 
HETATM 955  O O   . HOH C 3 .   ? -21.022 31.797 -4.883  1.00 34.99  ? 462 HOH A O   1 
HETATM 956  O O   . HOH C 3 .   ? -4.847  28.435 -5.496  1.00 54.62  ? 463 HOH A O   1 
HETATM 957  O O   . HOH C 3 .   ? -17.475 25.699 -9.709  1.00 36.64  ? 464 HOH A O   1 
HETATM 958  O O   . HOH C 3 .   ? -30.255 26.807 1.568   1.00 54.43  ? 465 HOH A O   1 
HETATM 959  O O   . HOH C 3 .   ? -32.912 19.167 -5.737  1.00 56.97  ? 466 HOH A O   1 
HETATM 960  O O   . HOH C 3 .   ? -10.808 26.888 -9.925  1.00 40.96  ? 467 HOH A O   1 
HETATM 961  O O   . HOH C 3 .   ? -27.948 26.685 -4.417  1.00 42.89  ? 468 HOH A O   1 
HETATM 962  O O   . HOH C 3 .   ? -23.958 25.623 12.513  1.00 57.23  ? 469 HOH A O   1 
HETATM 963  O O   . HOH C 3 .   ? -14.673 26.270 -9.976  1.00 37.80  ? 470 HOH A O   1 
HETATM 964  O O   . HOH C 3 .   ? -22.255 19.846 -14.608 1.00 61.10  ? 471 HOH A O   1 
HETATM 965  O O   . HOH C 3 .   ? -9.036  22.860 -19.346 1.00 49.57  ? 472 HOH A O   1 
HETATM 966  O O   . HOH C 3 .   ? -5.239  29.569 13.361  1.00 44.59  ? 473 HOH A O   1 
HETATM 967  O O   . HOH C 3 .   ? -0.690  11.279 5.319   1.00 52.63  ? 474 HOH A O   1 
HETATM 968  O O   . HOH C 3 .   ? -22.328 29.201 15.047  1.00 39.87  ? 475 HOH A O   1 
HETATM 969  O O   . HOH C 3 .   ? -22.105 13.372 3.887   1.00 35.18  ? 476 HOH A O   1 
HETATM 970  O O   . HOH C 3 .   ? -25.182 19.062 7.363   1.00 53.95  ? 477 HOH A O   1 
HETATM 971  O O   . HOH C 3 .   ? -5.375  8.285  1.941   1.00 48.44  ? 478 HOH A O   1 
HETATM 972  O O   . HOH C 3 .   ? -7.242  26.581 4.657   1.00 44.34  ? 479 HOH A O   1 
HETATM 973  O O   . HOH C 3 .   ? -10.674 9.282  6.700   1.00 45.14  ? 480 HOH A O   1 
HETATM 974  O O   . HOH C 3 .   ? -19.110 6.974  -4.814  1.00 29.16  ? 481 HOH A O   1 
HETATM 975  O O   . HOH C 3 .   ? -16.383 16.417 -12.242 1.00 27.18  ? 482 HOH A O   1 
HETATM 976  O O   . HOH C 3 .   ? -29.898 7.924  -8.351  1.00 43.03  ? 483 HOH A O   1 
HETATM 977  O O   . HOH C 3 .   ? -9.196  26.347 -13.561 1.00 60.65  ? 484 HOH A O   1 
HETATM 978  O O   . HOH C 3 .   ? -29.756 24.675 4.706   1.00 44.21  ? 485 HOH A O   1 
HETATM 979  O O   . HOH C 3 .   ? -11.433 7.510  -3.337  1.00 35.34  ? 486 HOH A O   1 
HETATM 980  O O   . HOH C 3 .   ? -29.053 19.911 -9.627  1.00 58.61  ? 487 HOH A O   1 
HETATM 981  O O   . HOH C 3 .   ? -23.239 19.153 8.659   1.00 48.58  ? 488 HOH A O   1 
HETATM 982  O O   . HOH C 3 .   ? -24.095 25.653 15.250  1.00 46.09  ? 489 HOH A O   1 
HETATM 983  O O   . HOH C 3 .   ? -17.892 15.403 -14.582 1.00 53.60  ? 490 HOH A O   1 
HETATM 984  O O   . HOH C 3 .   ? -15.035 30.825 -3.261  1.00 32.26  ? 491 HOH A O   1 
HETATM 985  O O   . HOH C 3 .   ? -1.936  27.195 2.747   1.00 56.25  ? 492 HOH A O   1 
HETATM 986  O O   . HOH C 3 .   ? -24.971 29.562 4.569   1.00 29.70  ? 493 HOH A O   1 
HETATM 987  O O   . HOH C 3 .   ? -17.567 29.895 -2.658  1.00 42.98  ? 494 HOH A O   1 
HETATM 988  O O   . HOH C 3 .   ? -13.595 21.005 16.761  1.00 67.16  ? 495 HOH A O   1 
HETATM 989  O O   . HOH C 3 .   ? -27.413 23.242 -10.206 1.00 63.23  ? 496 HOH A O   1 
HETATM 990  O O   . HOH C 3 .   ? -15.462 28.908 10.710  1.00 30.54  ? 497 HOH A O   1 
HETATM 991  O O   . HOH C 3 .   ? -27.360 29.260 3.140   1.00 36.79  ? 498 HOH A O   1 
HETATM 992  O O   . HOH C 3 .   ? -16.391 33.988 9.077   1.00 35.72  ? 499 HOH A O   1 
HETATM 993  O O   . HOH C 3 .   ? -27.586 16.771 -12.971 1.00 52.09  ? 500 HOH A O   1 
HETATM 994  O O   . HOH C 3 .   ? -1.404  16.516 1.028   1.00 55.55  ? 501 HOH A O   1 
HETATM 995  O O   . HOH C 3 .   ? -4.814  27.312 5.348   1.00 54.59  ? 502 HOH A O   1 
HETATM 996  O O   . HOH C 3 .   ? -4.466  23.427 12.730  1.00 65.08  ? 503 HOH A O   1 
HETATM 997  O O   . HOH C 3 .   ? -8.903  32.592 3.876   1.00 53.85  ? 504 HOH A O   1 
HETATM 998  O O   . HOH C 3 .   ? -11.028 3.766  -0.331  1.00 56.16  ? 505 HOH A O   1 
HETATM 999  O O   . HOH C 3 .   ? -11.967 15.536 -14.398 1.00 54.59  ? 506 HOH A O   1 
HETATM 1000 O O   . HOH C 3 .   ? -9.323  4.751  5.421   1.00 46.08  ? 507 HOH A O   1 
HETATM 1001 O O   . HOH C 3 .   ? -6.683  13.225 -8.598  1.00 50.99  ? 508 HOH A O   1 
HETATM 1002 O O   . HOH C 3 .   ? -1.281  18.200 7.076   1.00 53.60  ? 509 HOH A O   1 
HETATM 1003 O O   . HOH C 3 .   ? -3.436  26.662 7.479   1.00 56.22  ? 510 HOH A O   1 
HETATM 1004 O O   . HOH C 3 .   ? -20.088 23.842 -13.653 1.00 42.80  ? 511 HOH A O   1 
HETATM 1005 O O   . HOH C 3 .   ? -10.621 12.454 -12.386 1.00 54.06  ? 512 HOH A O   1 
HETATM 1006 O O   . HOH C 3 .   ? -16.573 23.656 -20.204 1.00 49.94  ? 513 HOH A O   1 
HETATM 1007 O O   . HOH C 3 .   ? -17.651 5.601  -6.255  1.00 50.71  ? 514 HOH A O   1 
HETATM 1008 O O   . HOH C 3 .   ? -11.386 8.584  -7.504  1.00 48.58  ? 515 HOH A O   1 
HETATM 1009 O O   . HOH C 3 .   ? -8.971  13.684 11.014  1.00 58.94  ? 516 HOH A O   1 
HETATM 1010 O O   . HOH C 3 .   ? -19.208 8.832  8.716   1.00 54.78  ? 517 HOH A O   1 
HETATM 1011 O O   . HOH C 3 .   ? -16.774 13.069 -14.416 1.00 55.67  ? 518 HOH A O   1 
HETATM 1012 O O   . HOH C 3 .   ? -12.852 9.452  10.150  1.00 58.14  ? 519 HOH A O   1 
HETATM 1013 O O   . HOH C 3 .   ? -23.436 33.094 -4.751  1.00 46.98  ? 520 HOH A O   1 
HETATM 1014 O O   . HOH C 3 .   ? -27.015 21.165 9.248   1.00 59.39  ? 521 HOH A O   1 
HETATM 1015 O O   . HOH C 3 .   ? -6.970  9.411  -0.336  1.00 50.87  ? 522 HOH A O   1 
HETATM 1016 O O   . HOH C 3 .   ? -4.237  10.554 8.230   1.00 47.51  ? 523 HOH A O   1 
HETATM 1017 O O   . HOH C 3 .   ? -1.511  20.178 3.832   1.00 61.20  ? 524 HOH A O   1 
HETATM 1018 O O   . HOH C 3 .   ? -18.666 22.272 -20.726 1.00 47.32  ? 525 HOH A O   1 
HETATM 1019 O O   . HOH C 3 .   ? -1.518  14.102 8.853   1.00 55.02  ? 526 HOH A O   1 
HETATM 1020 O O   . HOH C 3 .   ? -18.760 27.063 -11.671 1.00 36.11  ? 527 HOH A O   1 
HETATM 1021 O O   . HOH C 3 .   ? -8.527  10.736 9.764   1.00 56.88  ? 528 HOH A O   1 
HETATM 1022 O O   . HOH C 3 .   ? -11.532 35.597 1.109   1.00 50.54  ? 529 HOH A O   1 
HETATM 1023 O O   . HOH C 3 .   ? -9.354  6.782  7.333   1.00 53.38  ? 530 HOH A O   1 
HETATM 1024 O O   . HOH C 3 .   ? -6.512  31.691 -2.198  1.00 49.09  ? 531 HOH A O   1 
HETATM 1025 O O   . HOH C 3 .   ? -1.456  16.651 9.314   1.00 66.32  ? 532 HOH A O   1 
HETATM 1026 O O   . HOH C 3 .   ? -14.636 14.240 -12.449 1.00 47.58  ? 533 HOH A O   1 
HETATM 1027 O O   . HOH C 3 .   ? -17.143 7.570  7.884   1.00 42.50  ? 534 HOH A O   1 
HETATM 1028 O O   . HOH C 3 .   ? -28.827 27.277 -7.006  1.00 67.64  ? 535 HOH A O   1 
HETATM 1029 O O   . HOH C 3 .   ? -29.169 25.491 -9.457  1.00 48.88  ? 536 HOH A 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   . MET A 19  ? 1.0032 1.2894 0.5565 0.2974  -0.1411 -0.2763 143 MET A N   
2    C CA  . MET A 19  ? 1.2907 1.8036 1.1265 0.0546  0.1100  -0.0178 143 MET A CA  
3    C C   . MET A 19  ? 0.9996 0.4550 0.6562 0.0834  -0.0549 0.0329  143 MET A C   
4    O O   . MET A 19  ? 0.9030 0.7682 0.4452 0.2627  -0.0624 0.0337  143 MET A O   
5    C CB  . MET A 19  ? 0.6990 1.1662 1.0862 0.0420  0.2431  0.4332  143 MET A CB  
6    C CG  . MET A 19  ? 0.6234 2.1523 1.1132 0.1952  0.0334  0.0526  143 MET A CG  
7    S SD  . MET A 19  ? 0.9703 1.3830 0.9227 0.0377  0.1268  0.1750  143 MET A SD  
8    C CE  . MET A 19  ? 1.4985 0.3448 0.7601 0.1658  -0.1436 -0.1305 143 MET A CE  
9    N N   . ASP A 20  ? 0.6934 0.5523 0.8634 0.0992  -0.1353 0.0957  144 ASP A N   
10   C CA  . ASP A 20  ? 1.0021 0.5087 0.4454 0.0333  -0.0457 -0.0274 144 ASP A CA  
11   C C   . ASP A 20  ? 0.4104 0.3539 0.7878 0.0037  -0.0021 0.1595  144 ASP A C   
12   O O   . ASP A 20  ? 0.4796 0.4470 0.5618 -0.0606 -0.0513 0.0611  144 ASP A O   
13   C CB  . ASP A 20  ? 0.8344 0.2853 0.6445 -0.0083 0.0120  -0.1465 144 ASP A CB  
14   C CG  . ASP A 20  ? 1.9858 1.1397 1.2324 -0.1428 0.4197  0.0130  144 ASP A CG  
15   O OD1 . ASP A 20  ? 0.6154 0.4728 0.9937 -0.0013 0.0160  0.1641  144 ASP A OD1 
16   O OD2 . ASP A 20  ? 1.1974 0.3540 0.7038 0.0472  0.0720  0.0880  144 ASP A OD2 
17   N N   . SER A 21  ? 0.6007 0.4917 0.3827 0.1010  0.0379  0.0557  145 SER A N   
18   C CA  . SER A 21  ? 0.7324 0.5267 0.1807 0.0562  0.0789  0.0938  145 SER A CA  
19   C C   . SER A 21  ? 0.3908 0.4902 0.2990 -0.1448 0.0045  -0.0036 145 SER A C   
20   O O   . SER A 21  ? 0.5184 0.4169 0.3386 -0.0766 -0.0302 0.0064  145 SER A O   
21   C CB  . SER A 21  ? 0.5388 0.6459 0.3754 -0.0762 0.0074  0.0155  145 SER A CB  
22   O OG  . SER A 21  ? 0.5014 0.8956 0.5938 0.0549  -0.0144 -0.1055 145 SER A OG  
23   N N   . ILE A 22  ? 0.4987 0.2961 0.3695 -0.0613 0.0709  0.0678  146 ILE A N   
24   C CA  . ILE A 22  ? 0.4560 0.3643 0.3307 -0.0474 0.0275  -0.0334 146 ILE A CA  
25   C C   . ILE A 22  ? 0.3891 0.3705 0.3343 0.0121  0.0697  0.0429  146 ILE A C   
26   O O   . ILE A 22  ? 0.3670 0.3926 0.3606 -0.0227 0.0785  -0.0231 146 ILE A O   
27   C CB  . ILE A 22  ? 0.4650 0.3133 0.4460 -0.0509 -0.0453 0.0837  146 ILE A CB  
28   C CG1 . ILE A 22  ? 0.4820 0.4360 0.4103 -0.0941 -0.1229 0.1142  146 ILE A CG1 
29   C CG2 . ILE A 22  ? 0.5195 0.4714 0.3662 -0.0123 0.0086  0.0986  146 ILE A CG2 
30   C CD1 . ILE A 22  ? 0.5449 0.5724 0.3274 -0.0484 0.0043  0.1091  146 ILE A CD1 
31   N N   . GLN A 23  ? 0.4632 0.4024 0.2493 -0.0128 0.0383  0.0053  147 GLN A N   
32   C CA  . GLN A 23  ? 0.4300 0.3557 0.3737 0.1230  -0.0060 0.0764  147 GLN A CA  
33   C C   . GLN A 23  ? 0.3267 0.4003 0.2745 0.0123  0.0356  -0.0397 147 GLN A C   
34   O O   . GLN A 23  ? 0.3504 0.5718 0.3123 -0.0729 0.0589  0.0317  147 GLN A O   
35   C CB  . GLN A 23  ? 0.5061 0.3705 0.6750 0.0704  0.1423  0.0540  147 GLN A CB  
36   C CG  . GLN A 23  ? 0.4924 0.9126 0.6716 -0.0840 -0.0571 -0.2250 147 GLN A CG  
37   C CD  . GLN A 23  ? 0.5122 0.7362 0.7716 0.1520  0.1003  0.0589  147 GLN A CD  
38   O OE1 . GLN A 23  ? 1.0459 0.4714 0.6410 -0.0951 0.2562  0.0349  147 GLN A OE1 
39   N NE2 . GLN A 23  ? 0.5474 0.3621 0.5362 0.0682  0.0097  -0.0165 147 GLN A NE2 
40   N N   . ALA A 24  ? 0.3198 0.4337 0.2852 -0.0256 0.0405  -0.0113 148 ALA A N   
41   C CA  . ALA A 24  ? 0.3641 0.3177 0.3923 -0.0082 0.0644  -0.0178 148 ALA A CA  
42   C C   . ALA A 24  ? 0.2958 0.4889 0.3525 -0.0723 -0.0033 0.0440  148 ALA A C   
43   O O   . ALA A 24  ? 0.3613 0.4044 0.4658 -0.0982 0.0871  0.0730  148 ALA A O   
44   C CB  . ALA A 24  ? 0.5112 0.5541 0.3575 -0.0056 0.0364  0.0716  148 ALA A CB  
45   N N   . GLU A 25  ? 0.3527 0.3633 0.3390 -0.0247 0.0086  0.0717  149 GLU A N   
46   C CA  . GLU A 25  ? 0.3004 0.2906 0.3140 -0.0541 0.0123  0.0359  149 GLU A CA  
47   C C   . GLU A 25  ? 0.2693 0.3540 0.2991 -0.0312 0.0362  0.0251  149 GLU A C   
48   O O   . GLU A 25  ? 0.3070 0.2992 0.3159 0.0081  0.0158  0.0273  149 GLU A O   
49   C CB  . GLU A 25  ? 0.2820 0.3361 0.3045 -0.0447 0.0545  0.0189  149 GLU A CB  
50   C CG  . GLU A 25  ? 0.2823 0.3730 0.3165 0.0201  0.0456  0.0298  149 GLU A CG  
51   C CD  . GLU A 25  ? 0.3470 0.4373 0.4958 -0.0106 0.0445  0.0736  149 GLU A CD  
52   O OE1 . GLU A 25  ? 0.6094 0.4335 0.4492 0.0675  -0.0539 0.0498  149 GLU A OE1 
53   O OE2 . GLU A 25  ? 0.5444 0.4378 0.4122 0.0278  -0.0990 0.0024  149 GLU A OE2 
54   N N   . GLU A 26  ? 0.3368 0.2979 0.3210 0.0097  0.0305  0.0257  150 GLU A N   
55   C CA  . GLU A 26  ? 0.3179 0.2782 0.3966 -0.0050 0.0577  -0.0445 150 GLU A CA  
56   C C   . GLU A 26  ? 0.2872 0.2422 0.4383 -0.0229 0.0170  -0.0044 150 GLU A C   
57   O O   . GLU A 26  ? 0.3105 0.3099 0.4060 -0.0180 0.0207  0.0231  150 GLU A O   
58   C CB  . GLU A 26  ? 0.4547 0.3420 0.3598 -0.0350 0.0990  -0.0131 150 GLU A CB  
59   C CG  . GLU A 26  ? 0.8155 0.3558 0.4889 -0.1418 0.2714  0.0141  150 GLU A CG  
60   C CD  . GLU A 26  ? 0.9441 0.5367 0.5823 0.1340  -0.0941 0.1607  150 GLU A CD  
61   O OE1 . GLU A 26  ? 0.9166 0.5302 0.9330 0.0022  -0.1597 0.1465  150 GLU A OE1 
62   O OE2 . GLU A 26  ? 0.9271 0.4182 0.6140 -0.1576 -0.0844 0.0659  150 GLU A OE2 
63   N N   . TRP A 27  ? 0.2617 0.2492 0.2920 -0.0346 -0.0211 -0.0086 151 TRP A N   
64   C CA  . TRP A 27  ? 0.2808 0.2945 0.2845 0.0078  0.0287  0.0225  151 TRP A CA  
65   C C   . TRP A 27  ? 0.2862 0.3111 0.2965 -0.0177 0.0292  -0.0267 151 TRP A C   
66   O O   . TRP A 27  ? 0.2971 0.2634 0.3081 -0.0348 0.0405  -0.0362 151 TRP A O   
67   C CB  . TRP A 27  ? 0.3186 0.2793 0.2832 -0.0104 0.0255  -0.0572 151 TRP A CB  
68   C CG  . TRP A 27  ? 0.2685 0.2567 0.2891 0.0043  0.0459  0.0291  151 TRP A CG  
69   C CD1 . TRP A 27  ? 0.4058 0.2106 0.3222 -0.0218 -0.0235 -0.0364 151 TRP A CD1 
70   C CD2 . TRP A 27  ? 0.2782 0.3050 0.2650 -0.0385 0.0297  0.0035  151 TRP A CD2 
71   N NE1 . TRP A 27  ? 0.3225 0.3110 0.2945 0.0232  0.0345  0.0024  151 TRP A NE1 
72   C CE2 . TRP A 27  ? 0.2882 0.3189 0.2944 0.0606  0.0067  0.0003  151 TRP A CE2 
73   C CE3 . TRP A 27  ? 0.3010 0.2992 0.3078 -0.0173 0.0088  0.0042  151 TRP A CE3 
74   C CZ2 . TRP A 27  ? 0.3035 0.3553 0.2469 -0.0428 0.0039  0.0536  151 TRP A CZ2 
75   C CZ3 . TRP A 27  ? 0.3039 0.3533 0.2954 -0.0233 -0.0020 0.0123  151 TRP A CZ3 
76   C CH2 . TRP A 27  ? 0.3097 0.3040 0.2987 -0.0409 0.0271  0.0078  151 TRP A CH2 
77   N N   . TYR A 28  ? 0.2829 0.2498 0.2874 -0.0078 0.0534  0.0038  152 TYR A N   
78   C CA  . TYR A 28  ? 0.2769 0.2654 0.3034 0.0237  0.0624  -0.0034 152 TYR A CA  
79   C C   . TYR A 28  ? 0.3003 0.2299 0.3327 0.0199  -0.0009 0.0372  152 TYR A C   
80   O O   . TYR A 28  ? 0.2828 0.2871 0.3632 -0.0248 0.0624  0.0185  152 TYR A O   
81   C CB  . TYR A 28  ? 0.2902 0.2799 0.2782 0.0074  -0.0035 0.0088  152 TYR A CB  
82   C CG  . TYR A 28  ? 0.3543 0.2633 0.2660 0.0030  0.0649  -0.0125 152 TYR A CG  
83   C CD1 . TYR A 28  ? 0.3034 0.2842 0.3612 -0.0196 0.0214  -0.0142 152 TYR A CD1 
84   C CD2 . TYR A 28  ? 0.3493 0.2506 0.3025 0.0183  0.0322  -0.0314 152 TYR A CD2 
85   C CE1 . TYR A 28  ? 0.4837 0.2708 0.3275 -0.0503 0.0890  -0.0248 152 TYR A CE1 
86   C CE2 . TYR A 28  ? 0.4486 0.2976 0.2287 0.0441  -0.0159 -0.0542 152 TYR A CE2 
87   C CZ  . TYR A 28  ? 0.4350 0.1981 0.4276 0.0614  -0.0278 -0.0372 152 TYR A CZ  
88   O OH  . TYR A 28  ? 0.5617 0.2858 0.4122 0.0026  -0.0541 0.0135  152 TYR A OH  
89   N N   . PHE A 29  ? 0.2467 0.2972 0.3169 -0.0141 0.0245  0.0572  153 PHE A N   
90   C CA  . PHE A 29  ? 0.2753 0.3325 0.3266 -0.0824 0.0373  0.0852  153 PHE A CA  
91   C C   . PHE A 29  ? 0.2644 0.2984 0.3139 -0.0604 0.0323  0.0419  153 PHE A C   
92   O O   . PHE A 29  ? 0.2771 0.3091 0.3884 -0.0031 0.0212  0.0456  153 PHE A O   
93   C CB  . PHE A 29  ? 0.2968 0.3300 0.2935 0.0319  -0.0243 0.0680  153 PHE A CB  
94   C CG  . PHE A 29  ? 0.3449 0.2790 0.5947 -0.0553 -0.0683 0.0647  153 PHE A CG  
95   C CD1 . PHE A 29  ? 0.2884 0.3000 0.3155 -0.0502 0.0144  0.0183  153 PHE A CD1 
96   C CD2 . PHE A 29  ? 0.3683 0.4017 0.7442 0.0039  -0.1475 -0.0064 153 PHE A CD2 
97   C CE1 . PHE A 29  ? 0.4450 0.3163 0.4284 -0.0344 -0.0319 0.0890  153 PHE A CE1 
98   C CE2 . PHE A 29  ? 0.4739 0.2116 0.8360 -0.0444 -0.0321 0.0596  153 PHE A CE2 
99   C CZ  . PHE A 29  ? 0.4679 0.4624 0.7800 0.0335  -0.2237 0.0177  153 PHE A CZ  
100  N N   . GLY A 30  ? 0.2281 0.2829 0.3135 -0.0081 0.0387  0.0143  154 GLY A N   
101  C CA  . GLY A 30  ? 0.2685 0.2691 0.3778 0.0061  0.0690  0.0279  154 GLY A CA  
102  C C   . GLY A 30  ? 0.2079 0.3370 0.3968 0.0233  0.0073  0.0158  154 GLY A C   
103  O O   . GLY A 30  ? 0.2956 0.3158 0.3588 0.0228  0.0459  0.0041  154 GLY A O   
104  N N   . LYS A 31  ? 0.1970 0.3330 0.3905 -0.0047 0.0611  0.0036  155 LYS A N   
105  C CA  . LYS A 31  ? 0.2869 0.2836 0.4277 0.0091  0.0492  0.0576  155 LYS A CA  
106  C C   . LYS A 31  ? 0.3330 0.2364 0.4736 -0.0033 0.0513  0.0251  155 LYS A C   
107  O O   . LYS A 31  ? 0.3716 0.3646 0.4648 0.0261  0.0023  0.0544  155 LYS A O   
108  C CB  . LYS A 31  ? 0.3578 0.2609 0.5388 0.0155  0.0355  0.0211  155 LYS A CB  
109  C CG  . LYS A 31  ? 0.3764 0.3260 0.4424 0.0567  0.0216  0.0092  155 LYS A CG  
110  C CD  . LYS A 31  ? 0.6966 0.6025 0.6453 0.0701  0.0845  0.0616  155 LYS A CD  
111  C CE  . LYS A 31  ? 0.6404 0.9538 1.1817 0.0076  -0.0318 -0.1177 155 LYS A CE  
112  N NZ  . LYS A 31  ? 0.9199 0.9972 1.3142 0.1687  0.0271  -0.3932 155 LYS A NZ  
113  N N   . ILE A 32  ? 0.3203 0.2729 0.3800 0.0141  -0.0070 0.0649  156 ILE A N   
114  C CA  . ILE A 32  ? 0.2989 0.3619 0.3438 0.0208  -0.0581 0.0174  156 ILE A CA  
115  C C   . ILE A 32  ? 0.3701 0.3722 0.3680 -0.0054 -0.0282 0.0460  156 ILE A C   
116  O O   . ILE A 32  ? 0.3614 0.3481 0.3478 0.0078  -0.0205 -0.0103 156 ILE A O   
117  C CB  . ILE A 32  ? 0.3238 0.3604 0.3949 -0.0326 0.0407  0.0392  156 ILE A CB  
118  C CG1 . ILE A 32  ? 0.3347 0.3940 0.4587 0.0127  -0.0567 -0.0249 156 ILE A CG1 
119  C CG2 . ILE A 32  ? 0.2662 0.3519 0.4458 0.0008  0.0246  0.0342  156 ILE A CG2 
120  C CD1 . ILE A 32  ? 0.3369 0.3870 0.5066 -0.0358 0.0573  -0.0229 156 ILE A CD1 
121  N N   . THR A 33  ? 0.3074 0.4118 0.4206 0.0265  -0.0682 0.0282  157 THR A N   
122  C CA  . THR A 33  ? 0.3186 0.3100 0.3690 0.0436  0.0127  0.0448  157 THR A CA  
123  C C   . THR A 33  ? 0.3628 0.3545 0.3595 0.0077  -0.0736 -0.0099 157 THR A C   
124  O O   . THR A 33  ? 0.3506 0.3050 0.4030 -0.0169 -0.0619 0.0316  157 THR A O   
125  C CB  . THR A 33  ? 0.4804 0.3597 0.5291 0.1070  -0.0655 0.0677  157 THR A CB  
126  O OG1 . THR A 33  ? 0.4118 0.3928 0.4604 0.0786  -0.0462 0.0036  157 THR A OG1 
127  C CG2 . THR A 33  ? 0.4284 0.4439 0.4198 0.0927  -0.0343 0.0977  157 THR A CG2 
128  N N   . ARG A 34  ? 0.3773 0.2956 0.4082 0.0240  -0.0633 0.0001  158 ARG A N   
129  C CA  . ARG A 34  ? 0.4101 0.2826 0.2851 0.0414  -0.0079 0.0013  158 ARG A CA  
130  C C   . ARG A 34  ? 0.4552 0.4213 0.4251 -0.0115 -0.1042 0.0235  158 ARG A C   
131  O O   . ARG A 34  ? 0.3620 0.4164 0.3369 -0.0271 -0.0477 0.0371  158 ARG A O   
132  C CB  . ARG A 34  ? 0.4424 0.3071 0.3208 -0.0164 -0.0229 0.0714  158 ARG A CB  
133  C CG  . ARG A 34  ? 0.4477 0.4168 0.3114 0.0196  -0.0728 -0.0043 158 ARG A CG  
134  C CD  . ARG A 34  ? 0.4335 0.5796 0.4466 0.0553  0.0739  0.1332  158 ARG A CD  
135  N NE  . ARG A 34  ? 0.6270 0.5402 0.5795 -0.0164 0.0469  0.1744  158 ARG A NE  
136  C CZ  . ARG A 34  ? 0.6611 0.8927 0.7842 0.0019  0.1187  -0.0248 158 ARG A CZ  
137  N NH1 . ARG A 34  ? 0.4229 0.7626 0.3474 0.0035  0.0269  -0.0461 158 ARG A NH1 
138  N NH2 . ARG A 34  ? 0.7011 0.4243 0.4399 0.2614  0.1347  0.1079  158 ARG A NH2 
139  N N   . ARG A 35  ? 0.3679 0.3523 0.3360 0.0448  -0.1189 0.0150  159 ARG A N   
140  C CA  . ARG A 35  ? 0.4727 0.3813 0.4043 -0.0044 -0.1656 0.0026  159 ARG A CA  
141  C C   . ARG A 35  ? 0.3655 0.4165 0.4136 0.1261  -0.0814 -0.0149 159 ARG A C   
142  O O   . ARG A 35  ? 0.4283 0.4746 0.3814 0.0402  -0.0904 -0.0687 159 ARG A O   
143  C CB  . ARG A 35  ? 0.5965 0.6512 0.5864 0.3276  0.0362  0.1114  159 ARG A CB  
144  C CG  . ARG A 35  ? 0.4770 1.2797 1.1880 0.1094  -0.2569 -0.1560 159 ARG A CG  
145  C CD  . ARG A 35  ? 1.2103 1.6616 1.1168 0.1321  -0.3713 -0.1424 159 ARG A CD  
146  N NE  . ARG A 35  ? 0.9176 1.6184 1.2992 -0.2768 -0.3612 0.0998  159 ARG A NE  
147  C CZ  . ARG A 35  ? 1.5805 1.7540 1.4970 -0.4047 -0.0838 0.2069  159 ARG A CZ  
148  N NH1 . ARG A 35  ? 1.5072 1.3812 1.1489 -0.1753 0.1325  0.2336  159 ARG A NH1 
149  N NH2 . ARG A 35  ? 1.7916 1.2213 0.6704 -0.2808 0.0776  0.1028  159 ARG A NH2 
150  N N   . GLU A 36  ? 0.3405 0.4104 0.3913 0.0533  -0.0538 0.0581  160 GLU A N   
151  C CA  . GLU A 36  ? 0.3421 0.3816 0.4069 0.0109  -0.0949 0.0479  160 GLU A CA  
152  C C   . GLU A 36  ? 0.3039 0.3962 0.3568 -0.0256 -0.1023 -0.0133 160 GLU A C   
153  O O   . GLU A 36  ? 0.3722 0.3530 0.5454 -0.0405 -0.1288 -0.0070 160 GLU A O   
154  C CB  . GLU A 36  ? 0.3590 0.5667 0.4679 0.1053  -0.1138 0.0106  160 GLU A CB  
155  C CG  . GLU A 36  ? 0.5771 0.6261 0.4124 0.0473  -0.0717 0.1610  160 GLU A CG  
156  C CD  . GLU A 36  ? 0.6609 1.0743 1.1379 0.1833  0.1496  -0.1568 160 GLU A CD  
157  O OE1 . GLU A 36  ? 0.4457 0.4476 0.6396 0.0324  -0.1133 0.1008  160 GLU A OE1 
158  O OE2 . GLU A 36  ? 0.6601 1.0909 0.7923 0.1497  -0.1207 -0.2032 160 GLU A OE2 
159  N N   . SER A 37  ? 0.3081 0.3219 0.4499 0.0129  -0.0732 -0.0487 161 SER A N   
160  C CA  A SER A 37  ? 0.2226 0.4168 0.3173 0.0286  0.0065  0.0108  161 SER A CA  
161  C CA  B SER A 37  ? 0.2671 0.4122 0.2955 0.0356  0.0044  0.0248  161 SER A CA  
162  C C   . SER A 37  ? 0.3470 0.3874 0.3179 -0.0181 0.0161  0.0094  161 SER A C   
163  O O   . SER A 37  ? 0.3556 0.3501 0.4190 -0.0091 -0.0634 -0.0270 161 SER A O   
164  C CB  A SER A 37  ? 0.2528 0.3212 0.3483 -0.0569 -0.1283 0.0535  161 SER A CB  
165  C CB  B SER A 37  ? 0.2794 0.3406 0.3900 -0.0570 -0.0681 0.0195  161 SER A CB  
166  O OG  A SER A 37  ? 0.4155 0.2230 0.4123 -0.0254 -0.0197 0.0455  161 SER A OG  
167  O OG  B SER A 37  ? 0.3968 0.3049 0.3594 0.0079  -0.0081 0.0361  161 SER A OG  
168  N N   . GLU A 38  ? 0.4045 0.3189 0.3748 0.0288  -0.0531 -0.0120 162 GLU A N   
169  C CA  . GLU A 38  ? 0.4214 0.3703 0.4626 0.0929  -0.0457 -0.0912 162 GLU A CA  
170  C C   . GLU A 38  ? 0.3873 0.6086 0.4568 0.1197  -0.2355 -0.1139 162 GLU A C   
171  O O   . GLU A 38  ? 0.5227 0.5037 0.3572 0.0457  -0.0373 -0.0588 162 GLU A O   
172  C CB  . GLU A 38  ? 0.4481 0.5251 0.4932 0.0793  -0.0247 0.0717  162 GLU A CB  
173  C CG  . GLU A 38  ? 0.4202 0.5502 0.5394 0.0765  -0.1893 -0.0032 162 GLU A CG  
174  C CD  . GLU A 38  ? 0.9662 0.7899 0.6645 0.0252  0.0296  -0.0773 162 GLU A CD  
175  O OE1 . GLU A 38  ? 0.5632 0.8124 0.3545 -0.1419 -0.0515 0.1207  162 GLU A OE1 
176  O OE2 . GLU A 38  ? 0.8282 1.0862 0.7048 -0.1802 -0.2329 0.0693  162 GLU A OE2 
177  N N   . ARG A 39  ? 0.4680 0.3872 0.4984 0.0589  -0.1486 -0.0561 163 ARG A N   
178  C CA  . ARG A 39  ? 0.5437 0.4928 0.4652 -0.0290 -0.1798 -0.1487 163 ARG A CA  
179  C C   . ARG A 39  ? 0.4761 0.5446 0.5786 0.0339  -0.1056 -0.0476 163 ARG A C   
180  O O   . ARG A 39  ? 0.5177 0.6411 0.7177 0.1183  -0.2036 -0.1864 163 ARG A O   
181  C CB  . ARG A 39  ? 0.4396 0.5151 0.9446 0.0319  -0.0562 -0.2373 163 ARG A CB  
182  C CG  . ARG A 39  ? 1.1161 1.3399 0.5578 -0.1664 -0.2790 -0.2982 163 ARG A CG  
183  C CD  . ARG A 39  ? 0.5959 1.1577 1.1941 -0.1862 -0.1057 -0.0735 163 ARG A CD  
184  N NE  . ARG A 39  ? 1.6391 2.0975 1.3938 -0.0151 0.5907  -0.0093 163 ARG A NE  
185  C CZ  . ARG A 39  ? 1.7302 0.9233 1.5677 -0.4986 0.1268  0.3265  163 ARG A CZ  
186  N NH1 . ARG A 39  ? 1.3729 1.1929 1.6076 0.3341  -0.1445 -0.6418 163 ARG A NH1 
187  N NH2 . ARG A 39  ? 0.8787 1.4886 0.9698 -0.1056 -0.2222 0.3289  163 ARG A NH2 
188  N N   . LEU A 40  ? 0.4400 0.4792 0.4680 0.0408  -0.0630 -0.1238 164 LEU A N   
189  C CA  . LEU A 40  ? 0.3183 0.4275 0.6670 -0.0542 -0.1437 0.0008  164 LEU A CA  
190  C C   . LEU A 40  ? 0.3450 0.4531 0.6815 0.0527  -0.0872 -0.0504 164 LEU A C   
191  O O   . LEU A 40  ? 0.4660 0.4195 0.5413 -0.0651 -0.0415 -0.1385 164 LEU A O   
192  C CB  . LEU A 40  ? 0.3769 0.5444 0.6481 -0.0713 0.0211  -0.2173 164 LEU A CB  
193  C CG  . LEU A 40  ? 0.6574 0.8804 0.9390 0.0965  0.0442  -0.2174 164 LEU A CG  
194  C CD1 . LEU A 40  ? 0.7511 0.3941 0.9140 -0.3379 0.2517  -0.1152 164 LEU A CD1 
195  C CD2 . LEU A 40  ? 1.0551 1.0788 1.0488 -0.3565 0.3513  -0.5605 164 LEU A CD2 
196  N N   . LEU A 41  ? 0.3973 0.3548 0.3799 -0.0529 -0.0816 -0.0126 165 LEU A N   
197  C CA  . LEU A 41  ? 0.3955 0.4995 0.3992 0.1164  -0.0782 -0.0631 165 LEU A CA  
198  C C   . LEU A 41  ? 0.5418 0.4503 0.3117 0.0497  -0.0685 -0.0841 165 LEU A C   
199  O O   . LEU A 41  ? 0.5104 0.4680 0.3447 -0.0070 -0.0512 -0.1483 165 LEU A O   
200  C CB  . LEU A 41  ? 0.3531 0.4173 0.3601 0.0144  -0.0917 -0.0673 165 LEU A CB  
201  C CG  . LEU A 41  ? 0.3867 0.3029 0.3293 0.0229  0.0121  -0.0570 165 LEU A CG  
202  C CD1 . LEU A 41  ? 0.3705 0.3264 0.3799 -0.0491 -0.0394 0.0101  165 LEU A CD1 
203  C CD2 . LEU A 41  ? 0.4364 0.2915 0.4459 0.0134  -0.1101 -0.0345 165 LEU A CD2 
204  N N   . LEU A 42  ? 0.4045 0.4441 0.3860 0.0922  -0.0767 -0.0928 166 LEU A N   
205  C CA  . LEU A 42  ? 0.6931 0.5048 0.4440 0.1273  -0.0961 -0.0784 166 LEU A CA  
206  C C   . LEU A 42  ? 0.6121 0.7580 0.4562 0.0396  0.0283  0.0628  166 LEU A C   
207  O O   . LEU A 42  ? 0.4705 0.5808 0.4080 0.0427  -0.0091 -0.0592 166 LEU A O   
208  C CB  . LEU A 42  ? 0.5534 0.5549 0.4260 0.0190  -0.0934 -0.1544 166 LEU A CB  
209  C CG  . LEU A 42  ? 0.4137 0.6360 0.4633 0.0429  -0.0419 -0.1692 166 LEU A CG  
210  C CD1 . LEU A 42  ? 0.7642 0.5300 0.5581 0.0550  -0.2431 -0.0675 166 LEU A CD1 
211  C CD2 . LEU A 42  ? 0.4538 0.6770 0.4754 0.0428  0.0013  0.0219  166 LEU A CD2 
212  N N   . ASN A 43  ? 0.4583 0.3962 0.4345 0.0253  -0.0614 -0.0780 167 ASN A N   
213  C CA  . ASN A 43  ? 0.4211 0.4034 0.6116 -0.0186 -0.0428 -0.1626 167 ASN A CA  
214  C C   . ASN A 43  ? 0.5454 0.4576 0.4859 0.0748  -0.0886 -0.1176 167 ASN A C   
215  O O   . ASN A 43  ? 0.4103 0.5609 0.4167 0.0334  -0.0421 -0.1138 167 ASN A O   
216  C CB  . ASN A 43  ? 0.4351 0.5703 0.5868 0.0562  -0.0024 -0.1491 167 ASN A CB  
217  C CG  . ASN A 43  ? 0.7974 1.0089 0.8370 -0.0695 -0.0082 -0.2163 167 ASN A CG  
218  O OD1 . ASN A 43  ? 0.3503 0.6285 0.7753 -0.0615 -0.0805 -0.1908 167 ASN A OD1 
219  N ND2 . ASN A 43  ? 0.6191 1.0777 0.8643 0.0666  0.1658  -0.3650 167 ASN A ND2 
220  N N   . ALA A 44  ? 0.4988 0.3919 0.4780 0.0683  -0.0437 -0.1819 168 ALA A N   
221  C CA  . ALA A 44  ? 0.4722 0.4916 0.3935 0.0226  -0.0153 -0.1021 168 ALA A CA  
222  C C   . ALA A 44  ? 0.3834 0.5622 0.4088 -0.0982 -0.0400 -0.1423 168 ALA A C   
223  O O   . ALA A 44  ? 0.4424 0.4265 0.4156 -0.0441 0.0314  -0.0254 168 ALA A O   
224  C CB  . ALA A 44  ? 0.6153 0.6902 0.4273 0.0395  -0.0369 -0.1613 168 ALA A CB  
225  N N   . GLU A 45  ? 0.3547 0.4975 0.3935 0.0058  0.0298  -0.1290 169 GLU A N   
226  C CA  . GLU A 45  ? 0.4318 0.4173 0.5449 0.0628  -0.0486 -0.0534 169 GLU A CA  
227  C C   . GLU A 45  ? 0.4748 0.3840 0.4099 -0.0964 0.0692  -0.0566 169 GLU A C   
228  O O   . GLU A 45  ? 0.4470 0.3738 0.5282 -0.0239 0.0623  0.0134  169 GLU A O   
229  C CB  . GLU A 45  ? 0.2790 0.7720 0.5446 -0.0306 0.0758  -0.0932 169 GLU A CB  
230  C CG  . GLU A 45  ? 0.7122 0.9164 0.6021 -0.1059 0.0281  -0.0558 169 GLU A CG  
231  C CD  . GLU A 45  ? 1.0942 1.5748 1.0735 -0.3767 -0.0122 0.2703  169 GLU A CD  
232  O OE1 . GLU A 45  ? 0.9870 1.5105 1.2428 -0.6438 -0.1279 0.2660  169 GLU A OE1 
233  O OE2 . GLU A 45  ? 0.7382 1.3610 1.0601 -0.0721 0.0772  0.1355  169 GLU A OE2 
234  N N   . ASN A 46  ? 0.3920 0.4936 0.3367 -0.0760 -0.0119 -0.0782 170 ASN A N   
235  C CA  . ASN A 46  ? 0.3750 0.3818 0.3749 0.0280  -0.0047 -0.0652 170 ASN A CA  
236  C C   . ASN A 46  ? 0.4454 0.2556 0.3617 -0.0145 -0.0053 -0.0844 170 ASN A C   
237  O O   . ASN A 46  ? 0.4479 0.3918 0.3030 -0.0240 0.0316  0.0036  170 ASN A O   
238  C CB  . ASN A 46  ? 0.4766 0.3199 0.3161 0.0350  -0.0884 -0.0572 170 ASN A CB  
239  C CG  . ASN A 46  ? 0.4298 0.5376 0.4367 0.0021  0.0615  -0.1371 170 ASN A CG  
240  O OD1 . ASN A 46  ? 0.5006 0.4577 0.5111 -0.0200 0.0483  -0.0419 170 ASN A OD1 
241  N ND2 . ASN A 46  ? 0.5626 0.4862 0.4283 0.0324  -0.0840 -0.1263 170 ASN A ND2 
242  N N   . PRO A 47  ? 0.4246 0.3503 0.3811 0.0349  0.0625  -0.0514 171 PRO A N   
243  C CA  . PRO A 47  ? 0.4375 0.3462 0.3475 -0.0046 0.0393  -0.1576 171 PRO A CA  
244  C C   . PRO A 47  ? 0.4367 0.3461 0.3407 -0.0308 0.0403  -0.0345 171 PRO A C   
245  O O   . PRO A 47  ? 0.4211 0.3330 0.3383 0.0011  -0.0132 -0.0678 171 PRO A O   
246  C CB  . PRO A 47  ? 0.5331 0.2595 0.3533 0.0099  0.0125  -0.0798 171 PRO A CB  
247  C CG  . PRO A 47  ? 0.6108 0.3430 0.4408 -0.0113 0.0865  -0.0061 171 PRO A CG  
248  C CD  . PRO A 47  ? 0.5222 0.3157 0.3518 0.0132  0.0482  -0.0778 171 PRO A CD  
249  N N   . ARG A 48  ? 0.4381 0.3112 0.2795 0.0290  0.0454  -0.1306 172 ARG A N   
250  C CA  . ARG A 48  ? 0.3787 0.3268 0.3163 0.0307  0.0233  -0.0337 172 ARG A CA  
251  C C   . ARG A 48  ? 0.4720 0.3049 0.2553 0.0315  0.0181  -0.0647 172 ARG A C   
252  O O   . ARG A 48  ? 0.4189 0.3094 0.2944 0.0304  0.0301  -0.0223 172 ARG A O   
253  C CB  . ARG A 48  ? 0.4098 0.3466 0.3351 0.0342  0.0709  -0.0064 172 ARG A CB  
254  C CG  . ARG A 48  ? 0.5270 0.3541 0.3287 0.0393  -0.0014 -0.0247 172 ARG A CG  
255  C CD  . ARG A 48  ? 0.5491 0.4323 0.3472 -0.0060 -0.0296 0.1295  172 ARG A CD  
256  N NE  . ARG A 48  ? 0.4390 0.4314 0.3552 0.0038  0.0738  -0.0166 172 ARG A NE  
257  C CZ  . ARG A 48  ? 0.3354 0.5727 0.2872 -0.0117 0.0639  -0.0201 172 ARG A CZ  
258  N NH1 . ARG A 48  ? 0.7040 0.4426 0.4711 0.0651  0.0974  -0.0215 172 ARG A NH1 
259  N NH2 . ARG A 48  ? 0.5926 0.5262 0.5417 -0.0833 0.0681  0.0039  172 ARG A NH2 
260  N N   . GLY A 49  ? 0.3637 0.2765 0.3267 0.0638  0.0173  -0.0262 173 GLY A N   
261  C CA  . GLY A 49  ? 0.3935 0.3360 0.2956 -0.0051 -0.0247 0.0104  173 GLY A CA  
262  C C   . GLY A 49  ? 0.3553 0.2173 0.2973 0.0075  -0.0359 -0.0052 173 GLY A C   
263  O O   . GLY A 49  ? 0.4008 0.2975 0.2800 0.0512  -0.0324 -0.0038 173 GLY A O   
264  N N   . THR A 50  ? 0.3250 0.2933 0.2593 0.0084  -0.0090 -0.0594 174 THR A N   
265  C CA  . THR A 50  ? 0.3922 0.2721 0.2552 -0.0227 0.0201  0.0020  174 THR A CA  
266  C C   . THR A 50  ? 0.3359 0.2634 0.2988 -0.0286 -0.0380 0.0019  174 THR A C   
267  O O   . THR A 50  ? 0.4311 0.2734 0.2187 0.0511  -0.0023 -0.0437 174 THR A O   
268  C CB  . THR A 50  ? 0.3440 0.3294 0.3124 0.0177  -0.0631 -0.0778 174 THR A CB  
269  O OG1 . THR A 50  ? 0.4032 0.2938 0.3382 -0.0135 -0.0025 -0.0689 174 THR A OG1 
270  C CG2 . THR A 50  ? 0.3567 0.2536 0.3837 0.0126  -0.0406 -0.0504 174 THR A CG2 
271  N N   . PHE A 51  ? 0.3446 0.2446 0.2690 0.0244  0.0187  -0.0122 175 PHE A N   
272  C CA  . PHE A 51  ? 0.3108 0.2496 0.2318 -0.0088 0.0036  -0.0049 175 PHE A CA  
273  C C   . PHE A 51  ? 0.3409 0.2340 0.2308 0.0078  -0.0228 -0.0110 175 PHE A C   
274  O O   . PHE A 51  ? 0.3157 0.2562 0.2885 -0.0022 -0.0206 0.0038  175 PHE A O   
275  C CB  . PHE A 51  ? 0.2684 0.2652 0.2911 -0.0014 0.0115  -0.0304 175 PHE A CB  
276  C CG  . PHE A 51  ? 0.3051 0.2895 0.2591 0.0168  -0.0013 0.0079  175 PHE A CG  
277  C CD1 . PHE A 51  ? 0.3408 0.2710 0.2431 -0.0102 0.0210  0.0128  175 PHE A CD1 
278  C CD2 . PHE A 51  ? 0.3040 0.2470 0.2289 -0.0007 -0.0203 -0.0004 175 PHE A CD2 
279  C CE1 . PHE A 51  ? 0.3187 0.2102 0.3239 -0.0270 -0.0164 0.0523  175 PHE A CE1 
280  C CE2 . PHE A 51  ? 0.2811 0.2905 0.2453 0.0143  0.0127  -0.0081 175 PHE A CE2 
281  C CZ  . PHE A 51  ? 0.2716 0.3114 0.2795 0.0113  -0.0258 0.0129  175 PHE A CZ  
282  N N   . LEU A 52  ? 0.2699 0.2492 0.2560 -0.0053 -0.0037 -0.0215 176 LEU A N   
283  C CA  . LEU A 52  ? 0.3043 0.2240 0.2581 -0.0264 0.0396  -0.0120 176 LEU A CA  
284  C C   . LEU A 52  ? 0.3083 0.2543 0.2348 -0.0142 0.0215  -0.0020 176 LEU A C   
285  O O   . LEU A 52  ? 0.2788 0.2735 0.2439 0.0042  0.0099  -0.0012 176 LEU A O   
286  C CB  . LEU A 52  ? 0.2794 0.2844 0.2872 -0.0169 -0.0106 0.0064  176 LEU A CB  
287  C CG  . LEU A 52  ? 0.2825 0.2758 0.3093 -0.0009 0.0228  0.0246  176 LEU A CG  
288  C CD1 . LEU A 52  ? 0.3031 0.3079 0.2860 -0.0264 -0.0084 0.0368  176 LEU A CD1 
289  C CD2 . LEU A 52  ? 0.2867 0.3267 0.4057 -0.0402 -0.0813 0.0129  176 LEU A CD2 
290  N N   . VAL A 53  ? 0.2823 0.2393 0.2280 -0.0114 0.0498  0.0154  177 VAL A N   
291  C CA  . VAL A 53  ? 0.2740 0.2364 0.2327 -0.0164 0.0312  0.0328  177 VAL A CA  
292  C C   . VAL A 53  ? 0.2573 0.2398 0.3110 -0.0061 0.0421  0.0143  177 VAL A C   
293  O O   . VAL A 53  ? 0.2802 0.2623 0.2979 -0.0241 0.0191  0.0000  177 VAL A O   
294  C CB  . VAL A 53  ? 0.3046 0.2377 0.2544 -0.0128 0.0358  0.0121  177 VAL A CB  
295  C CG1 . VAL A 53  ? 0.2950 0.2473 0.2784 -0.0089 0.0334  -0.0189 177 VAL A CG1 
296  C CG2 . VAL A 53  ? 0.2883 0.3073 0.2555 0.0046  0.0080  0.0005  177 VAL A CG2 
297  N N   . ARG A 54  ? 0.2386 0.2427 0.3301 -0.0311 0.0511  0.0097  178 ARG A N   
298  C CA  . ARG A 54  ? 0.2665 0.2278 0.3250 0.0038  0.0768  0.0224  178 ARG A CA  
299  C C   . ARG A 54  ? 0.3018 0.2542 0.2541 0.0116  0.0480  -0.0011 178 ARG A C   
300  O O   . ARG A 54  ? 0.2801 0.2436 0.3280 -0.0142 0.0373  -0.0003 178 ARG A O   
301  C CB  . ARG A 54  ? 0.2386 0.2458 0.3448 -0.0341 0.0234  0.0033  178 ARG A CB  
302  C CG  . ARG A 54  ? 0.2597 0.2345 0.3848 -0.0389 0.0646  -0.0435 178 ARG A CG  
303  C CD  . ARG A 54  ? 0.2762 0.2331 0.3823 0.0088  0.0275  -0.0235 178 ARG A CD  
304  N NE  . ARG A 54  ? 0.2910 0.2791 0.3787 0.0193  0.0416  -0.0064 178 ARG A NE  
305  C CZ  . ARG A 54  ? 0.3024 0.2957 0.3525 -0.0033 0.0108  0.0252  178 ARG A CZ  
306  N NH1 . ARG A 54  ? 0.3018 0.2733 0.3117 -0.0086 -0.0053 0.0547  178 ARG A NH1 
307  N NH2 . ARG A 54  ? 0.2690 0.2808 0.3952 -0.0093 0.0518  0.0107  178 ARG A NH2 
308  N N   . GLU A 55  ? 0.2110 0.2737 0.3017 -0.0343 0.0844  0.0261  179 GLU A N   
309  C CA  . GLU A 55  ? 0.2934 0.2528 0.3138 -0.0266 0.0780  0.0269  179 GLU A CA  
310  C C   . GLU A 55  ? 0.2395 0.2474 0.2692 -0.0108 0.0252  -0.0205 179 GLU A C   
311  O O   . GLU A 55  ? 0.2809 0.2943 0.2935 -0.0624 0.0172  0.0223  179 GLU A O   
312  C CB  . GLU A 55  ? 0.2830 0.2259 0.3712 0.0235  0.0184  0.0406  179 GLU A CB  
313  C CG  . GLU A 55  ? 0.3610 0.3037 0.3919 -0.0081 0.0261  0.0043  179 GLU A CG  
314  C CD  . GLU A 55  ? 0.4427 0.3925 0.4015 0.0701  0.0934  0.0272  179 GLU A CD  
315  O OE1 . GLU A 55  ? 0.5153 0.4728 0.4345 0.0375  0.2190  -0.0532 179 GLU A OE1 
316  O OE2 . GLU A 55  ? 0.4774 0.4244 0.4976 0.0743  0.1116  0.0142  179 GLU A OE2 
317  N N   . SER A 56  ? 0.2585 0.2840 0.3491 -0.0283 0.0114  0.0498  180 SER A N   
318  C CA  . SER A 56  ? 0.2570 0.2662 0.2793 0.0048  0.0342  0.0448  180 SER A CA  
319  C C   . SER A 56  ? 0.2375 0.2607 0.3410 -0.0243 -0.0006 0.0183  180 SER A C   
320  O O   . SER A 56  ? 0.3470 0.2982 0.3344 0.0357  0.0364  0.0361  180 SER A O   
321  C CB  . SER A 56  ? 0.2503 0.2624 0.3582 0.0097  -0.0062 0.0675  180 SER A CB  
322  O OG  . SER A 56  ? 0.2865 0.2741 0.3518 0.0032  0.0168  0.1130  180 SER A OG  
323  N N   . GLU A 57  ? 0.2880 0.2780 0.3507 -0.0188 0.0107  0.0937  181 GLU A N   
324  C CA  . GLU A 57  ? 0.3346 0.2890 0.3553 0.0293  0.0324  0.0475  181 GLU A CA  
325  C C   . GLU A 57  ? 0.3114 0.3125 0.4645 -0.0248 -0.0593 0.0948  181 GLU A C   
326  O O   . GLU A 57  ? 0.3988 0.3076 0.5329 0.0365  0.0388  0.0769  181 GLU A O   
327  C CB  . GLU A 57  ? 0.3589 0.2967 0.5222 0.0074  -0.0956 0.0431  181 GLU A CB  
328  C CG  . GLU A 57  ? 0.4500 0.3689 0.5875 -0.0239 -0.0603 0.0468  181 GLU A CG  
329  C CD  . GLU A 57  ? 0.5283 0.3960 0.4697 -0.0284 -0.0835 0.1160  181 GLU A CD  
330  O OE1 . GLU A 57  ? 0.3791 0.4229 0.3857 0.0280  -0.0503 0.0373  181 GLU A OE1 
331  O OE2 . GLU A 57  ? 0.6532 0.6734 0.9466 0.0770  -0.1139 -0.1074 181 GLU A OE2 
332  N N   . THR A 58  ? 0.3426 0.2767 0.3848 0.0537  -0.0020 0.0771  182 THR A N   
333  C CA  . THR A 58  ? 0.4330 0.3277 0.4684 0.0013  0.0563  0.0980  182 THR A CA  
334  C C   . THR A 58  ? 0.3360 0.3262 0.4591 0.0476  0.0535  0.0644  182 THR A C   
335  O O   . THR A 58  ? 0.3073 0.2648 0.4434 0.0116  0.0007  0.0898  182 THR A O   
336  C CB  . THR A 58  ? 0.4631 0.2559 0.4547 -0.0435 0.0414  0.0175  182 THR A CB  
337  O OG1 . THR A 58  ? 0.4443 0.2187 0.4425 -0.0250 0.1215  0.0817  182 THR A OG1 
338  C CG2 . THR A 58  ? 0.5235 0.4350 0.4684 -0.0333 -0.0555 0.1227  182 THR A CG2 
339  N N   . VAL A 59  ? 0.3762 0.1962 0.4857 -0.0176 0.0526  0.0751  183 VAL A N   
340  C CA  . VAL A 59  ? 0.3019 0.2920 0.4301 -0.0005 0.0190  0.0465  183 VAL A CA  
341  C C   . VAL A 59  ? 0.3131 0.2833 0.4456 -0.0128 0.0240  0.0018  183 VAL A C   
342  O O   . VAL A 59  ? 0.3832 0.2673 0.3943 -0.0218 -0.0115 0.0843  183 VAL A O   
343  C CB  . VAL A 59  ? 0.3616 0.2767 0.5077 0.0001  0.0642  0.1466  183 VAL A CB  
344  C CG1 . VAL A 59  ? 0.3433 0.2875 0.5647 0.0058  0.0687  0.1048  183 VAL A CG1 
345  C CG2 . VAL A 59  ? 0.3070 0.3095 0.5396 0.0402  0.0692  0.1685  183 VAL A CG2 
346  N N   . LYS A 60  ? 0.5008 0.3065 0.5677 0.0853  0.2041  0.0492  184 LYS A N   
347  C CA  . LYS A 60  ? 0.4892 0.4054 0.4136 0.0702  0.1522  0.1189  184 LYS A CA  
348  C C   . LYS A 60  ? 0.4006 0.3818 0.5234 -0.0349 0.1012  -0.0101 184 LYS A C   
349  O O   . LYS A 60  ? 0.5345 0.3070 0.6093 -0.0794 0.1896  -0.0495 184 LYS A O   
350  C CB  . LYS A 60  ? 0.8187 0.5214 0.6543 0.0354  0.1365  -0.0092 184 LYS A CB  
351  N N   . GLY A 61  ? 0.3029 0.3069 0.5296 -0.0105 0.1129  0.0218  185 GLY A N   
352  C CA  . GLY A 61  ? 0.3656 0.4023 0.4350 0.0413  -0.0735 -0.0887 185 GLY A CA  
353  C C   . GLY A 61  ? 0.4983 0.3543 0.4051 0.0499  0.0515  -0.0285 185 GLY A C   
354  O O   . GLY A 61  ? 0.4788 0.4078 0.3586 0.0315  -0.0087 -0.0334 185 GLY A O   
355  N N   . ALA A 62  ? 0.3599 0.2336 0.3531 0.0011  0.0376  0.0060  186 ALA A N   
356  C CA  . ALA A 62  ? 0.3344 0.2079 0.3013 -0.0263 -0.0405 0.0185  186 ALA A CA  
357  C C   . ALA A 62  ? 0.3077 0.2967 0.3058 -0.0004 0.0290  0.0584  186 ALA A C   
358  O O   . ALA A 62  ? 0.3307 0.2320 0.3307 -0.0068 0.0098  0.0102  186 ALA A O   
359  C CB  . ALA A 62  ? 0.3275 0.2549 0.3382 -0.0547 -0.0208 0.0338  186 ALA A CB  
360  N N   . TYR A 63  ? 0.2486 0.2876 0.4064 -0.0250 0.0274  0.0135  187 TYR A N   
361  C CA  . TYR A 63  ? 0.2299 0.2643 0.3085 -0.0230 0.0510  -0.0116 187 TYR A CA  
362  C C   . TYR A 63  ? 0.2827 0.2864 0.2252 -0.0115 -0.0126 -0.0196 187 TYR A C   
363  O O   . TYR A 63  ? 0.2939 0.3077 0.3018 -0.0474 -0.0186 0.0460  187 TYR A O   
364  C CB  . TYR A 63  ? 0.2898 0.2357 0.3242 -0.0024 0.0227  0.0376  187 TYR A CB  
365  C CG  . TYR A 63  ? 0.3106 0.2548 0.3891 0.0225  0.0582  0.0085  187 TYR A CG  
366  C CD1 . TYR A 63  ? 0.3394 0.2982 0.4070 0.0141  0.0312  -0.0096 187 TYR A CD1 
367  C CD2 . TYR A 63  ? 0.3050 0.3021 0.3074 0.0011  0.0430  0.0783  187 TYR A CD2 
368  C CE1 . TYR A 63  ? 0.4102 0.3849 0.3509 -0.0032 0.0404  -0.0358 187 TYR A CE1 
369  C CE2 . TYR A 63  ? 0.3642 0.2881 0.3209 0.0178  0.0553  0.0380  187 TYR A CE2 
370  C CZ  . TYR A 63  ? 0.4213 0.3555 0.2923 -0.0363 0.0414  -0.0415 187 TYR A CZ  
371  O OH  . TYR A 63  ? 0.5770 0.4441 0.3400 0.0801  0.1007  -0.0232 187 TYR A OH  
372  N N   . ALA A 64  ? 0.2130 0.2977 0.2955 -0.0392 0.0391  -0.0269 188 ALA A N   
373  C CA  . ALA A 64  ? 0.2456 0.2650 0.3357 -0.0474 0.0394  -0.0157 188 ALA A CA  
374  C C   . ALA A 64  ? 0.2974 0.2766 0.2604 0.0067  -0.0074 -0.0042 188 ALA A C   
375  O O   . ALA A 64  ? 0.3142 0.2875 0.2902 -0.0028 0.0586  0.0030  188 ALA A O   
376  C CB  . ALA A 64  ? 0.2844 0.3219 0.2813 -0.0211 0.0086  -0.0172 188 ALA A CB  
377  N N   . LEU A 65  ? 0.2016 0.2803 0.2884 -0.0148 0.0205  0.0103  189 LEU A N   
378  C CA  . LEU A 65  ? 0.2668 0.2784 0.2656 -0.0092 0.0448  -0.0457 189 LEU A CA  
379  C C   . LEU A 65  ? 0.2500 0.2627 0.2366 -0.0181 -0.0122 -0.0148 189 LEU A C   
380  O O   . LEU A 65  ? 0.2791 0.3245 0.2580 -0.0376 0.0390  0.0180  189 LEU A O   
381  C CB  . LEU A 65  ? 0.2847 0.3151 0.2026 -0.0366 0.0372  0.0057  189 LEU A CB  
382  C CG  . LEU A 65  ? 0.2516 0.2843 0.2813 0.0069  -0.0018 -0.0065 189 LEU A CG  
383  C CD1 . LEU A 65  ? 0.2315 0.3055 0.3149 -0.0084 0.0000  -0.0268 189 LEU A CD1 
384  C CD2 . LEU A 65  ? 0.2625 0.3873 0.2514 0.0157  0.0194  -0.0140 189 LEU A CD2 
385  N N   . SER A 66  ? 0.2563 0.2413 0.2583 -0.0055 0.0098  0.0089  190 SER A N   
386  C CA  . SER A 66  ? 0.3119 0.2834 0.2010 -0.0400 -0.0252 -0.0056 190 SER A CA  
387  C C   . SER A 66  ? 0.3179 0.2933 0.2500 0.0160  0.0153  -0.0291 190 SER A C   
388  O O   . SER A 66  ? 0.3100 0.2909 0.2514 0.0093  -0.0084 -0.0284 190 SER A O   
389  C CB  . SER A 66  ? 0.3075 0.2355 0.3243 -0.0329 -0.0178 0.0333  190 SER A CB  
390  O OG  . SER A 66  ? 0.2918 0.2598 0.3101 -0.0021 -0.0075 0.0231  190 SER A OG  
391  N N   . VAL A 67  ? 0.3655 0.2833 0.2043 0.0034  0.0106  0.0162  191 VAL A N   
392  C CA  . VAL A 67  ? 0.3595 0.2698 0.2465 0.0257  0.0252  -0.0318 191 VAL A CA  
393  C C   . VAL A 67  ? 0.3049 0.3159 0.2463 -0.0405 -0.0361 -0.0422 191 VAL A C   
394  O O   . VAL A 67  ? 0.3762 0.3106 0.3124 0.0763  0.0356  0.0032  191 VAL A O   
395  C CB  . VAL A 67  ? 0.3166 0.3674 0.2538 0.0345  0.0471  -0.0849 191 VAL A CB  
396  C CG1 . VAL A 67  ? 0.3684 0.3270 0.2723 0.0649  0.0384  -0.0880 191 VAL A CG1 
397  C CG2 . VAL A 67  ? 0.3787 0.2674 0.2448 -0.0198 0.0100  -0.0159 191 VAL A CG2 
398  N N   . SER A 68  ? 0.4150 0.3040 0.2359 -0.0138 0.0040  -0.0170 192 SER A N   
399  C CA  . SER A 68  ? 0.3289 0.3671 0.2322 0.0393  -0.0014 -0.0137 192 SER A CA  
400  C C   . SER A 68  ? 0.4091 0.3307 0.2160 0.0090  -0.0257 -0.0048 192 SER A C   
401  O O   . SER A 68  ? 0.4454 0.3135 0.2174 -0.0033 -0.0230 -0.0284 192 SER A O   
402  C CB  . SER A 68  ? 0.4291 0.3040 0.3503 0.0247  -0.0396 -0.0669 192 SER A CB  
403  O OG  . SER A 68  ? 0.3904 0.2989 0.3021 0.0656  -0.0253 -0.0385 192 SER A OG  
404  N N   . ASP A 69  ? 0.4587 0.3518 0.1793 0.0585  -0.0413 0.0022  193 ASP A N   
405  C CA  . ASP A 69  ? 0.4248 0.3202 0.3371 -0.0062 -0.0361 -0.0298 193 ASP A CA  
406  C C   . ASP A 69  ? 0.4261 0.2954 0.3139 0.0854  -0.0302 -0.0444 193 ASP A C   
407  O O   . ASP A 69  ? 0.4179 0.3414 0.2776 0.0094  -0.0093 -0.0438 193 ASP A O   
408  C CB  . ASP A 69  ? 0.4531 0.3916 0.2702 -0.0721 -0.0254 -0.0566 193 ASP A CB  
409  C CG  . ASP A 69  ? 0.3791 0.4300 0.5102 -0.0313 0.0099  -0.1710 193 ASP A CG  
410  O OD1 . ASP A 69  ? 0.4838 0.4607 0.3458 -0.0001 -0.0260 -0.0150 193 ASP A OD1 
411  O OD2 . ASP A 69  ? 0.5319 0.4498 0.4908 -0.0023 0.0594  -0.0854 193 ASP A OD2 
412  N N   . PHE A 70  ? 0.4490 0.3307 0.2650 0.0917  0.0027  -0.0569 194 PHE A N   
413  C CA  . PHE A 70  ? 0.5283 0.3482 0.2772 0.0048  0.0293  -0.0311 194 PHE A CA  
414  C C   . PHE A 70  ? 0.4653 0.5124 0.3664 0.1315  0.0850  0.0132  194 PHE A C   
415  O O   . PHE A 70  ? 0.4578 0.3870 0.3524 0.0892  0.0296  -0.0366 194 PHE A O   
416  C CB  . PHE A 70  ? 0.4605 0.3574 0.2600 -0.0109 0.0306  -0.0547 194 PHE A CB  
417  C CG  . PHE A 70  ? 0.4033 0.3089 0.2586 0.0819  -0.0059 -0.0500 194 PHE A CG  
418  C CD1 . PHE A 70  ? 0.4536 0.3845 0.3779 0.0741  0.0705  -0.0769 194 PHE A CD1 
419  C CD2 . PHE A 70  ? 0.4808 0.3298 0.3387 0.0914  -0.0374 -0.0600 194 PHE A CD2 
420  C CE1 . PHE A 70  ? 0.4372 0.3776 0.2482 0.0464  0.0203  -0.0951 194 PHE A CE1 
421  C CE2 . PHE A 70  ? 0.3896 0.3075 0.3647 0.0258  -0.0471 -0.0358 194 PHE A CE2 
422  C CZ  . PHE A 70  ? 0.4409 0.3428 0.2964 0.0681  0.0125  -0.0391 194 PHE A CZ  
423  N N   . ASP A 71  ? 0.5901 0.2816 0.3473 -0.0576 -0.0006 -0.0802 195 ASP A N   
424  C CA  . ASP A 71  ? 0.4164 0.3844 0.3343 -0.0525 -0.0254 -0.0437 195 ASP A CA  
425  C C   . ASP A 71  ? 0.4388 0.3329 0.2978 -0.0165 0.0285  -0.0783 195 ASP A C   
426  O O   . ASP A 71  ? 0.5028 0.3061 0.3507 -0.0114 -0.0174 -0.0337 195 ASP A O   
427  C CB  . ASP A 71  ? 0.7495 0.3310 0.4055 0.0628  0.0566  -0.1602 195 ASP A CB  
428  C CG  . ASP A 71  ? 0.6564 0.7514 0.7071 -0.0360 0.0640  0.0764  195 ASP A CG  
429  O OD1 . ASP A 71  ? 0.5627 0.6625 0.6373 -0.1152 0.0026  -0.1129 195 ASP A OD1 
430  O OD2 . ASP A 71  ? 0.6631 0.4741 0.6417 -0.0066 -0.0529 -0.0652 195 ASP A OD2 
431  N N   . ASN A 72  ? 0.4113 0.3194 0.2988 -0.0640 0.0095  -0.0389 196 ASN A N   
432  C CA  . ASN A 72  ? 0.5360 0.2471 0.3532 -0.0358 0.0407  -0.0500 196 ASN A CA  
433  C C   . ASN A 72  ? 0.4652 0.2458 0.4163 -0.0101 0.0458  0.0382  196 ASN A C   
434  O O   . ASN A 72  ? 0.6594 0.3018 0.3544 -0.0542 0.0860  -0.0348 196 ASN A O   
435  C CB  . ASN A 72  ? 0.5019 0.5199 0.5206 0.0291  0.0461  -0.0390 196 ASN A CB  
436  C CG  . ASN A 72  ? 0.6177 0.5522 0.7944 -0.0886 0.0274  -0.0014 196 ASN A CG  
437  O OD1 . ASN A 72  ? 0.4799 0.4941 0.5089 0.0396  -0.0316 -0.1081 196 ASN A OD1 
438  N ND2 . ASN A 72  ? 0.2476 0.8413 0.6846 -0.0740 -0.0845 0.2028  196 ASN A ND2 
439  N N   . ALA A 73  ? 0.5059 0.3081 0.4980 0.0251  0.0794  -0.0506 197 ALA A N   
440  C CA  . ALA A 73  ? 0.5508 0.4674 0.5408 0.0848  -0.0587 0.0683  197 ALA A CA  
441  C C   . ALA A 73  ? 0.5859 0.2963 0.5809 -0.0284 -0.0121 -0.0018 197 ALA A C   
442  O O   . ALA A 73  ? 0.5585 0.3813 0.5801 0.0866  0.0442  0.0108  197 ALA A O   
443  C CB  . ALA A 73  ? 0.8151 0.4795 0.6558 -0.0596 0.0064  0.0457  197 ALA A CB  
444  N N   . LYS A 74  ? 0.7314 0.3552 0.5058 0.0921  0.0879  0.0000  198 LYS A N   
445  C CA  . LYS A 74  ? 0.6184 0.5797 0.7873 -0.0580 0.2898  0.0626  198 LYS A CA  
446  C C   . LYS A 74  ? 0.5815 0.3499 0.3712 0.1520  0.0070  -0.1097 198 LYS A C   
447  O O   . LYS A 74  ? 0.6295 0.3862 0.4251 0.1274  -0.0337 0.0175  198 LYS A O   
448  C CB  . LYS A 74  ? 0.5798 0.6471 0.8913 0.0113  0.0639  -0.0225 198 LYS A CB  
449  C CG  . LYS A 74  ? 0.5311 1.6050 1.2101 -0.4593 -0.2390 0.6171  198 LYS A CG  
450  C CD  . LYS A 74  ? 1.3251 0.7274 2.0698 0.1549  0.5786  -0.5619 198 LYS A CD  
451  C CE  . LYS A 74  ? 1.4669 1.8723 2.1745 0.2416  -0.5690 -0.0530 198 LYS A CE  
452  N NZ  . LYS A 74  ? 1.1314 2.3376 2.2882 0.0221  -0.5855 0.0146  198 LYS A NZ  
453  N N   . GLY A 75  ? 0.4883 0.3792 0.3098 0.0556  0.0618  0.0059  199 GLY A N   
454  C CA  . GLY A 75  ? 0.5570 0.3285 0.2303 0.0804  -0.0194 -0.1096 199 GLY A CA  
455  C C   . GLY A 75  ? 0.3937 0.3247 0.3623 0.0456  0.0118  -0.0199 199 GLY A C   
456  O O   . GLY A 75  ? 0.5125 0.3928 0.3495 0.0008  -0.0082 -0.0578 199 GLY A O   
457  N N   . LEU A 76  ? 0.4180 0.3424 0.3063 -0.0167 -0.0582 -0.0428 200 LEU A N   
458  C CA  . LEU A 76  ? 0.4219 0.5065 0.3205 0.0818  -0.0519 0.0167  200 LEU A CA  
459  C C   . LEU A 76  ? 0.3644 0.5223 0.2833 0.0766  -0.0607 -0.0343 200 LEU A C   
460  O O   . LEU A 76  ? 0.4192 0.4996 0.2916 0.1010  -0.0482 -0.0598 200 LEU A O   
461  C CB  . LEU A 76  ? 0.4441 0.5827 0.4838 0.0552  -0.1181 -0.0101 200 LEU A CB  
462  C CG  . LEU A 76  ? 0.4873 0.4687 0.6345 0.0740  -0.1409 -0.0713 200 LEU A CG  
463  C CD1 . LEU A 76  ? 0.4530 0.3661 0.7458 0.0541  -0.0830 0.1005  200 LEU A CD1 
464  C CD2 . LEU A 76  ? 0.4543 0.3899 0.4218 -0.0428 -0.1103 0.0502  200 LEU A CD2 
465  N N   . ASN A 77  ? 0.4748 0.3650 0.2131 0.0179  -0.0443 -0.0497 201 ASN A N   
466  C CA  . ASN A 77  ? 0.5569 0.3380 0.3221 0.0278  -0.0470 -0.0555 201 ASN A CA  
467  C C   . ASN A 77  ? 0.5778 0.4049 0.2455 0.0155  0.0237  -0.0393 201 ASN A C   
468  O O   . ASN A 77  ? 0.5595 0.3827 0.2560 0.0558  -0.0011 -0.0560 201 ASN A O   
469  C CB  . ASN A 77  ? 0.6321 0.4664 0.2567 0.0352  -0.0770 -0.0339 201 ASN A CB  
470  C CG  . ASN A 77  ? 0.5358 0.3908 0.2526 -0.0089 -0.0183 0.0276  201 ASN A CG  
471  O OD1 . ASN A 77  ? 0.5736 0.3795 0.4467 -0.0550 -0.0716 -0.1127 201 ASN A OD1 
472  N ND2 . ASN A 77  ? 0.4862 0.3362 0.3913 -0.0376 0.0096  0.0128  201 ASN A ND2 
473  N N   . VAL A 78  ? 0.4634 0.3840 0.2846 0.0498  -0.0242 -0.0197 202 VAL A N   
474  C CA  . VAL A 78  ? 0.4395 0.3844 0.2019 -0.0244 0.0562  -0.0416 202 VAL A CA  
475  C C   . VAL A 78  ? 0.3781 0.3757 0.3234 0.0854  -0.0668 0.0385  202 VAL A C   
476  O O   . VAL A 78  ? 0.5464 0.3330 0.3250 0.0504  -0.0483 0.0224  202 VAL A O   
477  C CB  . VAL A 78  ? 0.4119 0.3299 0.3583 0.0771  -0.0238 0.0194  202 VAL A CB  
478  C CG1 . VAL A 78  ? 0.4758 0.4304 0.3300 0.0687  0.0187  -0.0586 202 VAL A CG1 
479  C CG2 . VAL A 78  ? 0.4711 0.3671 0.4040 0.0233  -0.0215 -0.0308 202 VAL A CG2 
480  N N   . LYS A 79  ? 0.3311 0.3501 0.2306 0.0485  -0.0179 0.0185  203 LYS A N   
481  C CA  . LYS A 79  ? 0.4382 0.3200 0.2624 -0.0471 0.0315  -0.0590 203 LYS A CA  
482  C C   . LYS A 79  ? 0.3005 0.3545 0.3081 0.0351  0.0025  0.0173  203 LYS A C   
483  O O   . LYS A 79  ? 0.4605 0.3267 0.2718 -0.0422 0.0418  -0.0111 203 LYS A O   
484  C CB  . LYS A 79  ? 0.4195 0.3698 0.3679 -0.0431 0.0573  -0.0241 203 LYS A CB  
485  C CG  . LYS A 79  ? 0.4939 0.4211 0.3569 0.0452  0.0143  -0.1577 203 LYS A CG  
486  C CD  . LYS A 79  ? 0.5518 0.5266 0.3739 0.0821  0.1723  0.0304  203 LYS A CD  
487  C CE  . LYS A 79  ? 0.6086 0.9623 0.9124 0.2115  0.1507  0.0211  203 LYS A CE  
488  N NZ  . LYS A 79  ? 0.8700 1.2829 0.8531 0.6061  0.1873  0.1453  203 LYS A NZ  
489  N N   . HIS A 80  ? 0.3573 0.3380 0.2285 -0.0214 -0.0112 0.0179  204 HIS A N   
490  C CA  . HIS A 80  ? 0.2895 0.3750 0.2587 0.0301  -0.0359 -0.0057 204 HIS A CA  
491  C C   . HIS A 80  ? 0.2224 0.3314 0.3092 0.0337  -0.0167 0.0328  204 HIS A C   
492  O O   . HIS A 80  ? 0.4134 0.4150 0.3001 -0.0764 0.0295  0.0421  204 HIS A O   
493  C CB  . HIS A 80  ? 0.3211 0.3585 0.2501 0.0364  0.0165  0.0395  204 HIS A CB  
494  C CG  . HIS A 80  ? 0.3136 0.3838 0.2617 0.0401  0.0025  0.0374  204 HIS A CG  
495  N ND1 . HIS A 80  ? 0.3323 0.3269 0.2604 0.0072  -0.0278 0.0066  204 HIS A ND1 
496  C CD2 . HIS A 80  ? 0.3647 0.4719 0.2379 0.0304  0.0486  0.0232  204 HIS A CD2 
497  C CE1 . HIS A 80  ? 0.3842 0.3791 0.2640 -0.0443 -0.0331 0.0726  204 HIS A CE1 
498  N NE2 . HIS A 80  ? 0.3466 0.4296 0.3263 0.0004  0.0052  0.0703  204 HIS A NE2 
499  N N   . TYR A 81  ? 0.3151 0.3461 0.2366 -0.0066 0.0082  0.0850  205 TYR A N   
500  C CA  . TYR A 81  ? 0.2783 0.3413 0.2332 0.0014  0.0049  0.0222  205 TYR A CA  
501  C C   . TYR A 81  ? 0.2296 0.3341 0.3644 -0.0214 0.0032  0.0377  205 TYR A C   
502  O O   . TYR A 81  ? 0.2661 0.2790 0.2887 -0.0029 0.0323  0.0037  205 TYR A O   
503  C CB  . TYR A 81  ? 0.2759 0.3474 0.2637 0.0498  0.0256  0.0377  205 TYR A CB  
504  C CG  . TYR A 81  ? 0.2762 0.3047 0.2430 0.0088  0.0299  0.0106  205 TYR A CG  
505  C CD1 . TYR A 81  ? 0.3529 0.3696 0.3813 -0.0287 0.0603  0.0558  205 TYR A CD1 
506  C CD2 . TYR A 81  ? 0.3297 0.3135 0.3317 0.0179  0.0303  0.0149  205 TYR A CD2 
507  C CE1 . TYR A 81  ? 0.3253 0.3424 0.4260 0.0098  0.0073  0.0089  205 TYR A CE1 
508  C CE2 . TYR A 81  ? 0.3548 0.3238 0.3249 -0.0215 0.0496  0.0281  205 TYR A CE2 
509  C CZ  . TYR A 81  ? 0.3642 0.3968 0.2381 0.0323  0.0227  0.0471  205 TYR A CZ  
510  O OH  . TYR A 81  ? 0.3810 0.4399 0.3578 0.0398  0.0718  -0.0509 205 TYR A OH  
511  N N   . LEU A 82  ? 0.3165 0.3049 0.2677 -0.0336 0.0180  0.0366  206 LEU A N   
512  C CA  . LEU A 82  ? 0.1749 0.2791 0.3177 -0.0046 -0.0253 0.0375  206 LEU A CA  
513  C C   . LEU A 82  ? 0.2252 0.2669 0.2904 0.0020  -0.0090 0.0303  206 LEU A C   
514  O O   . LEU A 82  ? 0.2200 0.3345 0.3049 -0.0133 0.0111  0.0580  206 LEU A O   
515  C CB  . LEU A 82  ? 0.3250 0.2872 0.3550 -0.0238 0.0109  0.0827  206 LEU A CB  
516  C CG  . LEU A 82  ? 0.3427 0.2331 0.3394 -0.0612 0.0103  0.0035  206 LEU A CG  
517  C CD1 . LEU A 82  ? 0.2872 0.2831 0.3980 -0.0243 0.0586  0.0180  206 LEU A CD1 
518  C CD2 . LEU A 82  ? 0.3155 0.2790 0.5068 -0.0890 0.0500  0.0020  206 LEU A CD2 
519  N N   . ILE A 83  ? 0.2620 0.2363 0.2948 -0.0003 -0.0199 0.0177  207 ILE A N   
520  C CA  . ILE A 83  ? 0.2556 0.3036 0.2788 -0.0253 -0.0064 -0.0026 207 ILE A CA  
521  C C   . ILE A 83  ? 0.2690 0.2590 0.2876 0.0034  -0.0256 0.0594  207 ILE A C   
522  O O   . ILE A 83  ? 0.2621 0.2740 0.3631 -0.0142 -0.0280 0.0073  207 ILE A O   
523  C CB  . ILE A 83  ? 0.2679 0.2582 0.2672 -0.0335 0.0046  0.0158  207 ILE A CB  
524  C CG1 . ILE A 83  ? 0.2665 0.2895 0.2788 -0.0063 0.0035  0.0134  207 ILE A CG1 
525  C CG2 . ILE A 83  ? 0.3306 0.2808 0.2783 -0.0314 -0.0116 0.0193  207 ILE A CG2 
526  C CD1 . ILE A 83  ? 0.3014 0.2446 0.3009 -0.0095 -0.0182 -0.0038 207 ILE A CD1 
527  N N   . ARG A 84  ? 0.2706 0.2692 0.3189 -0.0370 -0.0052 0.0556  208 ARG A N   
528  C CA  . ARG A 84  ? 0.3491 0.2664 0.2843 -0.0051 0.0072  0.0135  208 ARG A CA  
529  C C   . ARG A 84  ? 0.2777 0.2328 0.3274 -0.0924 -0.0237 0.0153  208 ARG A C   
530  O O   . ARG A 84  ? 0.3784 0.2666 0.3439 -0.0331 -0.0529 0.0496  208 ARG A O   
531  C CB  . ARG A 84  ? 0.3800 0.2603 0.4083 -0.0803 -0.0258 0.0038  208 ARG A CB  
532  C CG  . ARG A 84  ? 0.5504 0.4254 0.3376 -0.0862 0.0258  0.0499  208 ARG A CG  
533  C CD  . ARG A 84  ? 0.4969 0.3706 0.3819 0.0332  -0.0061 -0.0024 208 ARG A CD  
534  N NE  . ARG A 84  ? 0.3871 0.3278 0.3785 -0.0159 -0.0128 0.0225  208 ARG A NE  
535  C CZ  . ARG A 84  ? 0.3484 0.3084 0.3650 0.0180  -0.0570 -0.0128 208 ARG A CZ  
536  N NH1 . ARG A 84  ? 0.3782 0.2662 0.2608 -0.0120 0.0021  0.0676  208 ARG A NH1 
537  N NH2 . ARG A 84  ? 0.2947 0.2716 0.4102 -0.0036 -0.0182 0.0535  208 ARG A NH2 
538  N N   . LYS A 85  ? 0.3538 0.2387 0.3700 -0.0056 -0.0623 -0.0292 209 LYS A N   
539  C CA  . LYS A 85  ? 0.3844 0.3504 0.2903 -0.0440 -0.0065 -0.0754 209 LYS A CA  
540  C C   . LYS A 85  ? 0.4721 0.3102 0.3173 -0.0403 -0.0546 -0.0252 209 LYS A C   
541  O O   . LYS A 85  ? 0.5685 0.3061 0.4357 -0.0275 -0.1522 -0.0050 209 LYS A O   
542  C CB  . LYS A 85  ? 0.3735 0.4602 0.2889 -0.0017 -0.0007 0.0360  209 LYS A CB  
543  C CG  . LYS A 85  ? 0.4458 0.5662 0.3363 -0.0105 0.0363  -0.0039 209 LYS A CG  
544  C CD  . LYS A 85  ? 0.5620 0.8415 0.5504 0.0563  0.2176  -0.1117 209 LYS A CD  
545  C CE  . LYS A 85  ? 1.5171 1.4018 0.9172 0.3019  0.1913  -0.1280 209 LYS A CE  
546  N NZ  . LYS A 85  ? 1.4799 0.4981 0.8933 0.1132  0.5130  0.0005  209 LYS A NZ  
547  N N   . LEU A 86  ? 0.4301 0.3679 0.3745 -0.0511 -0.0885 0.0113  210 LEU A N   
548  C CA  . LEU A 86  ? 0.5901 0.3451 0.4163 -0.1739 0.0127  0.0350  210 LEU A CA  
549  C C   . LEU A 86  ? 0.6042 0.4164 0.4023 -0.0960 0.0252  -0.0850 210 LEU A C   
550  O O   . LEU A 86  ? 0.4341 0.3986 0.4393 -0.0185 -0.0874 -0.0104 210 LEU A O   
551  C CB  . LEU A 86  ? 0.3956 0.7019 0.4665 -0.0652 -0.1508 -0.1540 210 LEU A CB  
552  C CG  . LEU A 86  ? 0.6173 0.8280 0.5313 -0.0017 0.0576  -0.0286 210 LEU A CG  
553  C CD1 . LEU A 86  ? 0.5886 1.0954 0.8619 0.0863  -0.0763 0.0270  210 LEU A CD1 
554  C CD2 . LEU A 86  ? 0.6782 1.1350 0.6802 -0.2118 -0.1781 0.1512  210 LEU A CD2 
555  N N   . ASP A 87  ? 0.8662 0.4983 0.3659 -0.0898 -0.1527 0.0666  211 ASP A N   
556  C CA  . ASP A 87  ? 0.9510 0.7605 0.6394 0.0672  -0.1611 0.0816  211 ASP A CA  
557  C C   . ASP A 87  ? 0.5558 0.4850 0.6109 -0.0290 0.0451  -0.0887 211 ASP A C   
558  O O   . ASP A 87  ? 0.4950 0.5758 0.4549 -0.0505 -0.0194 -0.0480 211 ASP A O   
559  C CB  . ASP A 87  ? 0.8715 0.5967 0.9872 0.2165  -0.0944 -0.2164 211 ASP A CB  
560  C CG  . ASP A 87  ? 1.3270 0.6798 1.2548 0.1180  -0.0504 0.1007  211 ASP A CG  
561  O OD1 . ASP A 87  ? 0.6808 0.6661 0.9290 0.0825  -0.2557 0.0566  211 ASP A OD1 
562  O OD2 . ASP A 87  ? 0.9663 0.8816 0.7558 -0.0951 0.1680  0.0200  211 ASP A OD2 
563  N N   . SER A 88  ? 0.5140 0.5910 0.4778 -0.1913 0.0086  -0.0230 212 SER A N   
564  C CA  . SER A 88  ? 0.6519 0.5881 0.3637 -0.0197 -0.0906 0.0370  212 SER A CA  
565  C C   . SER A 88  ? 0.5146 0.3805 0.6308 -0.0221 -0.0596 -0.0918 212 SER A C   
566  O O   . SER A 88  ? 0.4643 0.8615 0.3937 0.0490  -0.0615 0.0080  212 SER A O   
567  C CB  . SER A 88  ? 0.4517 0.9260 0.6761 -0.0299 -0.0400 -0.0209 212 SER A CB  
568  O OG  . SER A 88  ? 0.5933 0.7840 0.5903 -0.1107 0.0347  -0.2100 212 SER A OG  
569  N N   . GLY A 89  ? 0.4613 0.5181 0.3986 0.0411  -0.0556 -0.0045 213 GLY A N   
570  C CA  . GLY A 89  ? 0.5084 0.5035 0.6090 0.1024  0.0592  0.0116  213 GLY A CA  
571  C C   . GLY A 89  ? 0.7195 0.5257 0.4674 0.0166  -0.0215 -0.1344 213 GLY A C   
572  O O   . GLY A 89  ? 0.5960 0.6467 0.4411 0.0103  -0.0005 -0.0619 213 GLY A O   
573  N N   . GLY A 90  ? 0.5888 0.3472 0.3863 0.0566  -0.1050 -0.0227 214 GLY A N   
574  C CA  . GLY A 90  ? 0.6059 0.3545 0.3945 0.0783  -0.0769 -0.0231 214 GLY A CA  
575  C C   . GLY A 90  ? 0.4012 0.4264 0.3350 -0.0134 -0.0370 -0.0932 214 GLY A C   
576  O O   . GLY A 90  ? 0.4621 0.3606 0.4340 -0.0681 -0.1299 -0.0563 214 GLY A O   
577  N N   . PHE A 91  ? 0.3211 0.3077 0.3279 0.0158  -0.0627 -0.0252 215 PHE A N   
578  C CA  . PHE A 91  ? 0.2848 0.3593 0.2809 -0.0826 -0.0374 0.0523  215 PHE A CA  
579  C C   . PHE A 91  ? 0.2479 0.3115 0.3548 -0.0235 -0.0263 0.0223  215 PHE A C   
580  O O   . PHE A 91  ? 0.2918 0.3367 0.4143 -0.0006 -0.0324 0.0905  215 PHE A O   
581  C CB  . PHE A 91  ? 0.3233 0.2944 0.2992 0.0309  -0.0387 0.0194  215 PHE A CB  
582  C CG  . PHE A 91  ? 0.3761 0.3085 0.2492 -0.0318 -0.0424 -0.0012 215 PHE A CG  
583  C CD1 . PHE A 91  ? 0.3744 0.3277 0.2954 -0.0186 -0.0436 0.0165  215 PHE A CD1 
584  C CD2 . PHE A 91  ? 0.4003 0.3441 0.2648 -0.0366 -0.0383 0.0324  215 PHE A CD2 
585  C CE1 . PHE A 91  ? 0.3890 0.4973 0.3453 0.0763  -0.0024 -0.0092 215 PHE A CE1 
586  C CE2 . PHE A 91  ? 0.4066 0.3382 0.3304 -0.0262 0.0204  0.0120  215 PHE A CE2 
587  C CZ  . PHE A 91  ? 0.3483 0.3487 0.3130 -0.0563 0.0040  -0.0031 215 PHE A CZ  
588  N N   . TYR A 92  ? 0.2797 0.3310 0.3613 -0.0462 -0.0589 0.0831  216 TYR A N   
589  C CA  . TYR A 92  ? 0.2762 0.3631 0.3369 -0.0359 -0.0802 0.0230  216 TYR A CA  
590  C C   . TYR A 92  ? 0.2588 0.3483 0.3338 -0.0331 -0.0385 0.0446  216 TYR A C   
591  O O   . TYR A 92  ? 0.2798 0.3050 0.3556 0.0129  -0.0053 0.0463  216 TYR A O   
592  C CB  . TYR A 92  ? 0.2880 0.3381 0.4109 -0.0479 -0.0546 0.0542  216 TYR A CB  
593  C CG  . TYR A 92  ? 0.2797 0.3735 0.4532 -0.0706 0.0201  0.0515  216 TYR A CG  
594  C CD1 . TYR A 92  ? 0.3744 0.4043 0.4690 -0.1196 0.0526  0.0109  216 TYR A CD1 
595  C CD2 . TYR A 92  ? 0.3175 0.5541 0.6555 -0.1203 -0.0381 0.0070  216 TYR A CD2 
596  C CE1 . TYR A 92  ? 0.4547 0.3771 0.4773 -0.1330 0.0430  0.0273  216 TYR A CE1 
597  C CE2 . TYR A 92  ? 0.4102 0.3986 0.4329 -0.1031 -0.0534 0.0814  216 TYR A CE2 
598  C CZ  . TYR A 92  ? 0.4022 0.2437 0.4283 0.0210  -0.0537 0.0369  216 TYR A CZ  
599  O OH  . TYR A 92  ? 0.4425 0.3477 0.4905 -0.0590 -0.1006 0.0083  216 TYR A OH  
600  N N   . ILE A 93  ? 0.2544 0.2444 0.3627 -0.0348 -0.0339 0.0404  217 ILE A N   
601  C CA  . ILE A 93  ? 0.2527 0.4212 0.3452 -0.0124 0.0013  0.0840  217 ILE A CA  
602  C C   . ILE A 93  ? 0.4293 0.4206 0.4275 -0.0469 0.0238  0.1075  217 ILE A C   
603  O O   . ILE A 93  ? 0.3163 0.5006 0.4043 -0.0771 0.0302  0.1494  217 ILE A O   
604  C CB  . ILE A 93  ? 0.3091 0.3981 0.3840 0.0313  -0.0070 0.0018  217 ILE A CB  
605  C CG1 . ILE A 93  ? 0.2553 0.3337 0.3271 -0.0176 -0.0025 0.0185  217 ILE A CG1 
606  C CG2 . ILE A 93  ? 0.3109 0.4274 0.4441 -0.0145 0.0631  0.0194  217 ILE A CG2 
607  C CD1 . ILE A 93  ? 0.3180 0.3217 0.3431 -0.0435 -0.0135 0.0340  217 ILE A CD1 
608  N N   . THR A 94  ? 0.4272 0.4777 0.4549 0.0512  -0.0435 0.1340  218 THR A N   
609  C CA  A THR A 94  ? 0.6233 0.5585 0.5225 0.0559  0.1028  0.0899  218 THR A CA  
610  C CA  B THR A 94  ? 0.1683 0.7458 0.9524 0.0270  0.3552  0.2466  218 THR A CA  
611  C C   . THR A 94  ? 0.2141 0.9034 0.8013 0.1308  -0.0006 -0.0532 218 THR A C   
612  O O   . THR A 94  ? 0.3230 0.4858 0.6051 -0.0449 -0.0809 0.0852  218 THR A O   
613  C CB  A THR A 94  ? 0.9615 1.0193 0.3985 0.2325  0.0575  -0.3649 218 THR A CB  
614  C CB  B THR A 94  ? 0.6042 1.2356 0.9143 0.4713  0.3697  0.1751  218 THR A CB  
615  O OG1 A THR A 94  ? 0.9404 0.6982 1.1012 0.3659  0.5923  -0.0446 218 THR A OG1 
616  O OG1 B THR A 94  ? 0.3414 0.4820 0.7821 -0.0849 0.0373  0.1495  218 THR A OG1 
617  C CG2 A THR A 94  ? 0.4518 1.3249 0.7933 -0.0913 0.1115  0.4820  218 THR A CG2 
618  C CG2 B THR A 94  ? 0.8893 0.9034 0.8816 0.3471  0.5078  0.7974  218 THR A CG2 
619  N N   . SER A 95  ? 0.7441 0.6638 0.8766 0.0023  -0.1810 0.4061  219 SER A N   
620  C CA  . SER A 95  ? 0.7988 1.6535 0.6598 -0.3357 0.0509  -0.1732 219 SER A CA  
621  C C   . SER A 95  ? 0.6577 1.0675 0.6544 -0.3550 -0.0662 -0.1415 219 SER A C   
622  O O   . SER A 95  ? 0.7642 0.8529 0.8136 0.1381  -0.1156 0.2401  219 SER A O   
623  C CB  . SER A 95  ? 0.7992 0.8076 1.3565 0.1758  -0.8384 0.1636  219 SER A CB  
624  O OG  . SER A 95  ? 0.7018 1.9329 1.1750 -0.5141 0.3959  0.1782  219 SER A OG  
625  N N   . ARG A 96  ? 0.4538 0.4817 0.9127 -0.4040 0.0468  0.2139  220 ARG A N   
626  C CA  . ARG A 96  ? 1.1247 0.5118 1.0388 0.1307  -0.4744 0.2330  220 ARG A CA  
627  C C   . ARG A 96  ? 0.2992 1.2642 1.2262 -0.4166 -0.3336 -0.0911 220 ARG A C   
628  O O   . ARG A 96  ? 0.5850 0.9365 0.9306 0.1350  -0.0666 0.2184  220 ARG A O   
629  C CB  . ARG A 96  ? 1.2734 0.9522 1.4634 0.3222  -0.5581 -0.4112 220 ARG A CB  
630  C CG  . ARG A 96  ? 1.5072 1.1732 1.0974 -0.4474 0.4236  -0.2867 220 ARG A CG  
631  C CD  . ARG A 96  ? 2.1271 1.1677 1.3469 -0.2581 -0.0548 -0.5752 220 ARG A CD  
632  N NE  . ARG A 96  ? 2.3039 1.9682 0.8260 -0.1760 -0.1771 -0.1556 220 ARG A NE  
633  C CZ  . ARG A 96  ? 1.1768 1.0950 0.7095 -0.0606 0.0546  0.3259  220 ARG A CZ  
634  N NH1 . ARG A 96  ? 0.6709 0.9046 1.6064 -0.0769 0.4107  0.1081  220 ARG A NH1 
635  N NH2 . ARG A 96  ? 1.3160 1.6960 1.4192 -0.1747 0.5364  0.2455  220 ARG A NH2 
636  N N   . THR A 97  ? 0.5646 0.4922 0.5183 -0.0158 0.0307  0.2228  221 THR A N   
637  C CA  . THR A 97  ? 0.4619 0.5560 0.7436 0.0750  -0.0034 0.1699  221 THR A CA  
638  C C   . THR A 97  ? 0.4730 0.3470 0.5609 -0.0911 -0.0450 0.1089  221 THR A C   
639  O O   . THR A 97  ? 0.3242 0.4415 0.5516 -0.0397 -0.0646 0.1150  221 THR A O   
640  C CB  . THR A 97  ? 0.3586 0.4934 0.6615 0.0356  0.1143  0.0179  221 THR A CB  
641  O OG1 . THR A 97  ? 0.3688 0.5899 0.8420 0.0426  0.0342  -0.0098 221 THR A OG1 
642  C CG2 . THR A 97  ? 0.2997 0.4931 0.8127 -0.0604 0.0014  0.0080  221 THR A CG2 
643  N N   . GLN A 98  ? 0.3582 0.4681 0.6109 -0.0153 -0.1424 0.1621  222 GLN A N   
644  C CA  . GLN A 98  ? 0.3532 0.4713 0.3612 -0.0202 -0.1212 0.0488  222 GLN A CA  
645  C C   . GLN A 98  ? 0.3318 0.3597 0.4837 -0.0221 -0.1018 0.0598  222 GLN A C   
646  O O   . GLN A 98  ? 0.3248 0.4880 0.5474 -0.0044 -0.1053 0.1516  222 GLN A O   
647  C CB  . GLN A 98  ? 0.5144 0.4575 0.5503 -0.1346 -0.2930 0.1194  222 GLN A CB  
648  C CG  . GLN A 98  ? 0.6599 0.4433 0.6010 -0.1863 -0.0495 0.0918  222 GLN A CG  
649  C CD  . GLN A 98  ? 0.5204 0.5020 0.6076 -0.1159 -0.1618 -0.0230 222 GLN A CD  
650  O OE1 . GLN A 98  ? 0.5317 0.4830 0.7377 -0.1432 -0.0502 -0.0501 222 GLN A OE1 
651  N NE2 . GLN A 98  ? 0.5251 0.6908 0.4481 -0.1227 -0.0104 0.1355  222 GLN A NE2 
652  N N   . PHE A 99  ? 0.3684 0.3345 0.3795 -0.0311 -0.1047 0.0341  223 PHE A N   
653  C CA  . PHE A 99  ? 0.3474 0.4038 0.3381 -0.0403 -0.1420 0.1748  223 PHE A CA  
654  C C   . PHE A 99  ? 0.4474 0.3383 0.3874 -0.0380 -0.0072 0.0275  223 PHE A C   
655  O O   . PHE A 99  ? 0.5335 0.3573 0.2973 -0.0198 -0.0716 0.0266  223 PHE A O   
656  C CB  . PHE A 99  ? 0.3591 0.3489 0.3275 -0.0898 -0.0484 0.0971  223 PHE A CB  
657  C CG  . PHE A 99  ? 0.3229 0.3325 0.3698 -0.0325 -0.0440 0.0335  223 PHE A CG  
658  C CD1 . PHE A 99  ? 0.3516 0.3262 0.4666 -0.0625 -0.0600 0.0479  223 PHE A CD1 
659  C CD2 . PHE A 99  ? 0.3185 0.3227 0.3916 -0.0133 -0.0297 0.0511  223 PHE A CD2 
660  C CE1 . PHE A 99  ? 0.3893 0.3437 0.4790 -0.0132 -0.0280 0.0418  223 PHE A CE1 
661  C CE2 . PHE A 99  ? 0.3264 0.3485 0.3685 -0.0484 0.0413  -0.0047 223 PHE A CE2 
662  C CZ  . PHE A 99  ? 0.4100 0.2650 0.4662 -0.0263 0.0909  -0.0075 223 PHE A CZ  
663  N N   . ASN A 100 ? 0.4997 0.3463 0.3095 -0.0615 -0.1774 0.0888  224 ASN A N   
664  C CA  . ASN A 100 ? 0.4989 0.4134 0.5000 -0.0928 -0.0976 0.0436  224 ASN A CA  
665  C C   . ASN A 100 ? 0.5916 0.3241 0.2536 -0.0215 -0.0469 0.0461  224 ASN A C   
666  O O   . ASN A 100 ? 0.4453 0.4401 0.3641 -0.0760 -0.0314 -0.0513 224 ASN A O   
667  C CB  . ASN A 100 ? 0.6829 0.5695 0.2598 -0.0616 -0.2986 0.0693  224 ASN A CB  
668  C CG  . ASN A 100 ? 1.0344 0.6021 0.7982 -0.2006 0.1417  0.2615  224 ASN A CG  
669  O OD1 . ASN A 100 ? 1.2101 0.8329 0.6243 0.0737  -0.3086 0.2786  224 ASN A OD1 
670  N ND2 . ASN A 100 ? 0.9181 1.4414 0.5851 0.2689  -0.4773 0.1731  224 ASN A ND2 
671  N N   . SER A 101 ? 0.4494 0.3490 0.3021 -0.0562 -0.0181 -0.0239 225 SER A N   
672  C CA  . SER A 101 ? 0.3688 0.2741 0.2754 -0.0489 -0.0562 -0.0290 225 SER A CA  
673  C C   . SER A 101 ? 0.3395 0.3048 0.2539 -0.0239 -0.0423 0.0070  225 SER A C   
674  O O   . SER A 101 ? 0.3435 0.2780 0.3058 -0.0380 -0.0128 0.0355  225 SER A O   
675  C CB  . SER A 101 ? 0.3580 0.3441 0.2652 -0.0676 -0.0295 0.0033  225 SER A CB  
676  O OG  . SER A 101 ? 0.4220 0.3514 0.2847 0.0066  -0.0304 0.0280  225 SER A OG  
677  N N   . LEU A 102 ? 0.3348 0.3135 0.3126 0.0323  -0.0240 0.0518  226 LEU A N   
678  C CA  . LEU A 102 ? 0.3160 0.2762 0.2365 0.0264  0.0446  0.0463  226 LEU A CA  
679  C C   . LEU A 102 ? 0.2995 0.2806 0.3058 0.0031  -0.0223 0.0418  226 LEU A C   
680  O O   . LEU A 102 ? 0.3234 0.2827 0.2461 0.0353  0.0199  0.0301  226 LEU A O   
681  C CB  . LEU A 102 ? 0.2821 0.2452 0.3106 0.0046  0.0518  0.0205  226 LEU A CB  
682  C CG  . LEU A 102 ? 0.3273 0.2905 0.2897 -0.0644 -0.0485 0.0187  226 LEU A CG  
683  C CD1 . LEU A 102 ? 0.3295 0.4090 0.3273 0.0376  0.0088  0.0413  226 LEU A CD1 
684  C CD2 . LEU A 102 ? 0.3377 0.3353 0.3627 -0.0583 -0.0312 0.0862  226 LEU A CD2 
685  N N   . GLN A 103 ? 0.3180 0.2954 0.3152 0.0085  -0.0021 0.0125  227 GLN A N   
686  C CA  . GLN A 103 ? 0.3031 0.2993 0.2577 0.0141  0.0140  0.0081  227 GLN A CA  
687  C C   . GLN A 103 ? 0.3212 0.2611 0.2587 0.0006  -0.0098 0.0336  227 GLN A C   
688  O O   . GLN A 103 ? 0.3876 0.3010 0.2436 -0.0037 0.0005  0.0395  227 GLN A O   
689  C CB  . GLN A 103 ? 0.3709 0.2999 0.2906 -0.0074 0.0521  0.0719  227 GLN A CB  
690  C CG  . GLN A 103 ? 0.4393 0.4254 0.4407 -0.1132 -0.0157 0.0531  227 GLN A CG  
691  C CD  . GLN A 103 ? 0.6012 0.4948 0.4347 0.0933  0.1090  0.0160  227 GLN A CD  
692  O OE1 . GLN A 103 ? 0.4072 0.4413 0.3742 -0.0381 0.0776  -0.0849 227 GLN A OE1 
693  N NE2 . GLN A 103 ? 0.4277 0.4273 0.3526 -0.0009 0.1005  0.0336  227 GLN A NE2 
694  N N   . GLN A 104 ? 0.3659 0.2939 0.2530 -0.0171 -0.0008 0.0076  228 GLN A N   
695  C CA  . GLN A 104 ? 0.3505 0.2693 0.3038 0.0477  0.0144  0.0726  228 GLN A CA  
696  C C   . GLN A 104 ? 0.2876 0.3091 0.3115 0.0240  -0.0179 0.0930  228 GLN A C   
697  O O   . GLN A 104 ? 0.3250 0.2981 0.3029 0.0041  -0.0222 0.0359  228 GLN A O   
698  C CB  . GLN A 104 ? 0.4190 0.3697 0.2938 -0.0892 -0.0622 0.0000  228 GLN A CB  
699  C CG  . GLN A 104 ? 1.2014 0.6627 0.8994 0.4731  -0.1101 0.3947  228 GLN A CG  
700  C CD  . GLN A 104 ? 0.6687 0.7858 1.0646 -0.0252 -0.2169 -0.3327 228 GLN A CD  
701  O OE1 . GLN A 104 ? 1.2961 0.7457 0.4097 0.1974  0.1135  -0.1848 228 GLN A OE1 
702  N NE2 . GLN A 104 ? 0.5745 0.9985 0.5566 0.1174  0.0222  0.0964  228 GLN A NE2 
703  N N   . LEU A 105 ? 0.3020 0.2546 0.2954 0.0145  -0.0438 0.0100  229 LEU A N   
704  C CA  . LEU A 105 ? 0.2490 0.3274 0.2759 0.0205  -0.0159 0.0293  229 LEU A CA  
705  C C   . LEU A 105 ? 0.3260 0.2920 0.2570 0.0140  -0.0206 0.0497  229 LEU A C   
706  O O   . LEU A 105 ? 0.2883 0.2991 0.3038 0.0239  0.0146  0.0569  229 LEU A O   
707  C CB  . LEU A 105 ? 0.2581 0.2853 0.3095 -0.0099 0.0041  0.0184  229 LEU A CB  
708  C CG  . LEU A 105 ? 0.2716 0.2677 0.3101 0.0276  0.0125  0.0501  229 LEU A CG  
709  C CD1 . LEU A 105 ? 0.3248 0.2523 0.3540 0.0585  0.0491  0.0558  229 LEU A CD1 
710  C CD2 . LEU A 105 ? 0.3443 0.4068 0.2827 0.0130  0.0628  0.0267  229 LEU A CD2 
711  N N   . VAL A 106 ? 0.2771 0.2763 0.2710 0.0059  0.0066  0.0099  230 VAL A N   
712  C CA  . VAL A 106 ? 0.2534 0.3141 0.2593 0.0268  -0.0045 0.0259  230 VAL A CA  
713  C C   . VAL A 106 ? 0.2960 0.3166 0.2359 0.0522  0.0102  0.0318  230 VAL A C   
714  O O   . VAL A 106 ? 0.3185 0.2934 0.2615 0.0340  0.0076  -0.0099 230 VAL A O   
715  C CB  . VAL A 106 ? 0.2668 0.2831 0.2423 0.0343  0.0115  0.0261  230 VAL A CB  
716  C CG1 . VAL A 106 ? 0.3208 0.3160 0.2597 0.0171  0.0008  -0.0026 230 VAL A CG1 
717  C CG2 . VAL A 106 ? 0.2901 0.2859 0.2978 0.0330  0.0096  0.0374  230 VAL A CG2 
718  N N   . ALA A 107 ? 0.3030 0.2809 0.2474 0.0305  -0.0057 0.0158  231 ALA A N   
719  C CA  . ALA A 107 ? 0.3618 0.2624 0.3186 0.0670  0.0074  0.0100  231 ALA A CA  
720  C C   . ALA A 107 ? 0.3001 0.3038 0.2792 -0.0119 -0.0271 0.0387  231 ALA A C   
721  O O   . ALA A 107 ? 0.3531 0.2996 0.3084 0.0448  -0.0030 0.0245  231 ALA A O   
722  C CB  . ALA A 107 ? 0.3466 0.3057 0.2309 0.0346  -0.0152 0.0268  231 ALA A CB  
723  N N   . TYR A 108 ? 0.2829 0.2678 0.2868 0.0455  -0.0042 0.0279  232 TYR A N   
724  C CA  . TYR A 108 ? 0.2617 0.3494 0.3050 0.0427  -0.0083 0.0385  232 TYR A CA  
725  C C   . TYR A 108 ? 0.2837 0.3252 0.3536 0.0486  -0.0091 0.0465  232 TYR A C   
726  O O   . TYR A 108 ? 0.3228 0.3329 0.3363 0.0224  -0.0129 0.0171  232 TYR A O   
727  C CB  . TYR A 108 ? 0.3638 0.4303 0.2783 0.0381  -0.0424 -0.0411 232 TYR A CB  
728  C CG  . TYR A 108 ? 0.2605 0.4043 0.3920 0.0393  -0.0258 0.0383  232 TYR A CG  
729  C CD1 . TYR A 108 ? 0.3186 0.4615 0.3995 0.0027  -0.0463 0.0266  232 TYR A CD1 
730  C CD2 . TYR A 108 ? 0.3682 0.3681 0.3926 0.0408  0.0096  0.0596  232 TYR A CD2 
731  C CE1 . TYR A 108 ? 0.3315 0.5579 0.5803 0.0249  0.0931  0.1130  232 TYR A CE1 
732  C CE2 . TYR A 108 ? 0.3405 0.4683 0.4193 0.0281  0.0124  0.0369  232 TYR A CE2 
733  C CZ  . TYR A 108 ? 0.3567 0.5288 0.4485 0.0010  -0.0343 0.0105  232 TYR A CZ  
734  O OH  . TYR A 108 ? 0.2761 0.5310 0.6066 -0.0255 0.0386  0.0570  232 TYR A OH  
735  N N   . TYR A 109 ? 0.3030 0.3046 0.2963 0.0548  0.0174  0.0054  233 TYR A N   
736  C CA  . TYR A 109 ? 0.2774 0.2964 0.2941 0.0601  0.0253  -0.0167 233 TYR A CA  
737  C C   . TYR A 109 ? 0.2943 0.2924 0.3180 0.0791  0.0304  0.0234  233 TYR A C   
738  O O   . TYR A 109 ? 0.3278 0.3584 0.3026 0.0272  0.0231  0.0108  233 TYR A O   
739  C CB  . TYR A 109 ? 0.2711 0.2988 0.3189 0.0693  0.0318  0.0224  233 TYR A CB  
740  C CG  . TYR A 109 ? 0.2852 0.3642 0.2681 0.0174  0.0257  -0.0083 233 TYR A CG  
741  C CD1 . TYR A 109 ? 0.2826 0.3538 0.3503 0.0626  0.0231  0.0118  233 TYR A CD1 
742  C CD2 . TYR A 109 ? 0.3137 0.2585 0.3035 0.0336  0.0310  0.0263  233 TYR A CD2 
743  C CE1 . TYR A 109 ? 0.3129 0.4194 0.3448 0.0482  0.0645  0.0444  233 TYR A CE1 
744  C CE2 . TYR A 109 ? 0.3360 0.2972 0.2986 0.0365  0.0040  0.0649  233 TYR A CE2 
745  C CZ  . TYR A 109 ? 0.2720 0.4426 0.3364 0.0105  0.0337  -0.0116 233 TYR A CZ  
746  O OH  . TYR A 109 ? 0.2873 0.3768 0.4562 0.0001  0.0498  0.0160  233 TYR A OH  
747  N N   . SER A 110 ? 0.3138 0.3593 0.2379 0.0306  0.0353  0.0056  234 SER A N   
748  C CA  A SER A 110 ? 0.2666 0.2853 0.3639 0.0072  -0.0384 -0.0078 234 SER A CA  
749  C CA  B SER A 110 ? 0.2712 0.2788 0.3806 0.0151  -0.0290 -0.0122 234 SER A CA  
750  C C   . SER A 110 ? 0.2810 0.3819 0.3295 -0.0035 0.0494  0.0519  234 SER A C   
751  O O   . SER A 110 ? 0.3920 0.3727 0.3674 0.0624  0.0033  -0.0081 234 SER A O   
752  C CB  A SER A 110 ? 0.3259 0.2694 0.3574 -0.0057 0.0410  0.0079  234 SER A CB  
753  C CB  B SER A 110 ? 0.3032 0.2785 0.4340 0.0150  0.1081  0.0134  234 SER A CB  
754  O OG  A SER A 110 ? 0.3316 0.3169 0.2389 0.0431  0.0322  0.0783  234 SER A OG  
755  O OG  B SER A 110 ? 0.4280 0.3506 0.4271 0.1810  0.1187  0.1547  234 SER A OG  
756  N N   . LYS A 111 ? 0.3033 0.3534 0.3504 0.0672  0.0175  -0.0219 235 LYS A N   
757  C CA  . LYS A 111 ? 0.3630 0.2950 0.4820 0.0646  0.0189  0.0011  235 LYS A CA  
758  C C   . LYS A 111 ? 0.4498 0.4442 0.4613 0.0380  0.0495  0.0531  235 LYS A C   
759  O O   . LYS A 111 ? 0.4374 0.4375 0.5072 0.1018  0.0087  0.0627  235 LYS A O   
760  C CB  . LYS A 111 ? 0.3357 0.5234 0.4642 0.0961  -0.1147 -0.1040 235 LYS A CB  
761  C CG  . LYS A 111 ? 0.5100 0.5709 0.5836 0.1895  0.1225  -0.0560 235 LYS A CG  
762  C CD  . LYS A 111 ? 0.9364 0.8095 0.9671 -0.0434 -0.2500 -0.0504 235 LYS A CD  
763  C CE  . LYS A 111 ? 1.1228 1.2847 0.8937 0.3894  -0.3888 0.3101  235 LYS A CE  
764  N NZ  . LYS A 111 ? 1.0820 0.8873 0.7810 0.4556  0.1101  0.4446  235 LYS A NZ  
765  N N   . HIS A 112 ? 0.3085 0.3723 0.5419 0.0755  0.0536  0.0602  236 HIS A N   
766  C CA  . HIS A 112 ? 0.3670 0.4699 0.6020 0.0257  0.0270  0.0522  236 HIS A CA  
767  C C   . HIS A 112 ? 0.3643 0.3843 0.4310 0.0424  -0.0060 0.0670  236 HIS A C   
768  O O   . HIS A 112 ? 0.4018 0.4215 0.4021 0.0525  0.0537  0.0527  236 HIS A O   
769  C CB  . HIS A 112 ? 0.4286 0.5890 0.8914 0.0679  -0.0309 0.1788  236 HIS A CB  
770  C CG  . HIS A 112 ? 0.7316 0.7071 0.8398 0.1971  -0.0843 0.1808  236 HIS A CG  
771  N ND1 . HIS A 112 ? 0.4775 0.5685 0.6180 0.0626  0.0853  0.0019  236 HIS A ND1 
772  C CD2 . HIS A 112 ? 0.5282 0.7114 0.8381 0.0044  0.1560  0.0095  236 HIS A CD2 
773  C CE1 . HIS A 112 ? 0.6962 0.4204 0.6514 0.2231  -0.0776 -0.0552 236 HIS A CE1 
774  N NE2 . HIS A 112 ? 0.8155 0.5919 0.7377 0.1405  -0.3138 -0.1845 236 HIS A NE2 
775  N N   . ALA A 113 ? 0.3372 0.3723 0.4797 0.0845  0.0408  -0.0153 237 ALA A N   
776  C CA  . ALA A 113 ? 0.2556 0.4040 0.5472 0.1029  0.0534  0.0224  237 ALA A CA  
777  C C   . ALA A 113 ? 0.3806 0.4607 0.4837 0.0371  0.0461  0.0124  237 ALA A C   
778  O O   . ALA A 113 ? 0.3256 0.4261 0.4158 0.0529  0.0625  0.0143  237 ALA A O   
779  C CB  . ALA A 113 ? 0.4446 0.3735 0.4847 -0.0099 -0.0051 0.0102  237 ALA A CB  
780  N N   . ASP A 114 ? 0.3394 0.4846 0.5487 0.0537  -0.0411 -0.0500 238 ASP A N   
781  C CA  . ASP A 114 ? 0.3545 0.5563 0.5507 0.0625  0.0557  -0.1048 238 ASP A CA  
782  C C   . ASP A 114 ? 0.4349 0.4497 0.5081 -0.0058 0.0138  -0.0805 238 ASP A C   
783  O O   . ASP A 114 ? 0.4728 0.4349 0.6199 -0.0552 0.1278  -0.0817 238 ASP A O   
784  C CB  . ASP A 114 ? 0.4254 0.4361 0.5452 0.1267  0.1266  -0.0045 238 ASP A CB  
785  C CG  . ASP A 114 ? 0.4818 0.8876 0.7784 0.0163  -0.1489 -0.0419 238 ASP A CG  
786  O OD1 . ASP A 114 ? 0.8968 0.9004 0.9102 -0.1148 0.0886  0.0189  238 ASP A OD1 
787  O OD2 . ASP A 114 ? 0.5072 0.8288 0.5690 -0.1208 -0.0037 0.1551  238 ASP A OD2 
788  N N   . GLY A 115 ? 0.3158 0.6072 0.4760 -0.0115 0.0633  -0.0345 239 GLY A N   
789  C CA  . GLY A 115 ? 0.5024 0.6112 0.7321 -0.0782 -0.1696 0.2184  239 GLY A CA  
790  C C   . GLY A 115 ? 0.5752 0.6463 0.5855 -0.0603 -0.0082 0.0433  239 GLY A C   
791  O O   . GLY A 115 ? 0.5336 0.5852 0.5508 -0.1420 0.0511  0.0379  239 GLY A O   
792  N N   . LEU A 116 ? 0.4266 0.4289 0.4094 -0.0345 0.0453  0.0396  240 LEU A N   
793  C CA  . LEU A 116 ? 0.3760 0.3632 0.3853 0.0096  0.0903  0.0233  240 LEU A CA  
794  C C   . LEU A 116 ? 0.3626 0.4173 0.3427 -0.0084 0.0539  0.0022  240 LEU A C   
795  O O   . LEU A 116 ? 0.3888 0.4023 0.3978 0.0012  0.0876  0.0055  240 LEU A O   
796  C CB  . LEU A 116 ? 0.3647 0.3227 0.3248 0.0178  0.0559  0.0204  240 LEU A CB  
797  C CG  . LEU A 116 ? 0.4520 0.4143 0.2499 0.0165  0.0154  0.0270  240 LEU A CG  
798  C CD1 . LEU A 116 ? 0.4182 0.4342 0.3027 0.1223  0.0300  0.0384  240 LEU A CD1 
799  C CD2 . LEU A 116 ? 0.5000 0.4050 0.3784 0.0084  0.0499  -0.0240 240 LEU A CD2 
800  N N   . SER A 117 ? 0.2986 0.4574 0.3292 0.0050  0.0659  -0.0099 241 SER A N   
801  C CA  . SER A 117 ? 0.4026 0.4496 0.2363 0.0490  0.0557  0.0150  241 SER A CA  
802  C C   . SER A 117 ? 0.4649 0.4566 0.3069 0.1003  0.0103  0.0020  241 SER A C   
803  O O   . SER A 117 ? 0.4683 0.4103 0.3335 0.0259  0.1156  -0.0328 241 SER A O   
804  C CB  . SER A 117 ? 0.6794 0.3974 0.3565 0.0450  -0.1231 0.0158  241 SER A CB  
805  O OG  . SER A 117 ? 0.6079 0.4976 0.4663 0.0974  0.1252  0.0645  241 SER A OG  
806  N N   . HIS A 118 ? 0.3576 0.3912 0.3180 0.0431  0.0324  -0.0256 242 HIS A N   
807  C CA  . HIS A 118 ? 0.3668 0.3851 0.2734 0.0007  0.0351  0.0331  242 HIS A CA  
808  C C   . HIS A 118 ? 0.3427 0.3940 0.2817 0.0506  0.1256  0.0497  242 HIS A C   
809  O O   . HIS A 118 ? 0.3435 0.3699 0.2949 0.0651  0.0613  0.0106  242 HIS A O   
810  C CB  . HIS A 118 ? 0.3157 0.3813 0.2836 0.0454  0.0353  -0.0288 242 HIS A CB  
811  C CG  . HIS A 118 ? 0.3592 0.3729 0.5475 0.0692  0.0798  0.0397  242 HIS A CG  
812  N ND1 . HIS A 118 ? 0.3367 0.3895 0.3633 0.0091  0.0312  -0.0334 242 HIS A ND1 
813  C CD2 . HIS A 118 ? 0.4451 0.3971 0.3834 0.0077  0.0582  -0.0645 242 HIS A CD2 
814  C CE1 . HIS A 118 ? 0.5515 0.3255 0.3281 0.0122  0.0785  -0.0015 242 HIS A CE1 
815  N NE2 . HIS A 118 ? 0.6091 0.3571 0.4015 -0.0400 0.1756  -0.1119 242 HIS A NE2 
816  N N   . ARG A 119 ? 0.3231 0.3496 0.3215 0.0269  0.0607  -0.0464 243 ARG A N   
817  C CA  . ARG A 119 ? 0.2858 0.3659 0.2993 0.0409  0.0634  -0.0521 243 ARG A CA  
818  C C   . ARG A 119 ? 0.3229 0.3350 0.2634 0.0141  0.0656  0.0083  243 ARG A C   
819  O O   . ARG A 119 ? 0.3358 0.3230 0.3336 0.0102  0.0524  -0.0515 243 ARG A O   
820  C CB  . ARG A 119 ? 0.3159 0.4372 0.2872 0.0389  0.0384  -0.0126 243 ARG A CB  
821  C CG  . ARG A 119 ? 0.3085 0.4223 0.4216 -0.0029 0.0011  -0.0152 243 ARG A CG  
822  C CD  . ARG A 119 ? 0.4139 0.4214 0.4863 0.0657  0.0874  0.0163  243 ARG A CD  
823  N NE  . ARG A 119 ? 0.4731 0.3881 0.4295 0.0685  0.1014  0.0740  243 ARG A NE  
824  C CZ  . ARG A 119 ? 0.4369 0.5099 0.6174 -0.0601 0.1624  -0.0273 243 ARG A CZ  
825  N NH1 . ARG A 119 ? 0.8617 0.5707 0.6945 -0.1978 0.2291  -0.0831 243 ARG A NH1 
826  N NH2 . ARG A 119 ? 0.6796 0.5259 0.5516 -0.1748 0.0787  -0.0855 243 ARG A NH2 
827  N N   . LEU A 120 ? 0.3352 0.2760 0.2801 -0.0053 0.0398  -0.0361 244 LEU A N   
828  C CA  . LEU A 120 ? 0.3154 0.3438 0.2572 -0.0383 0.0206  0.0261  244 LEU A CA  
829  C C   . LEU A 120 ? 0.3285 0.2691 0.3511 0.0106  0.0290  -0.0137 244 LEU A C   
830  O O   . LEU A 120 ? 0.3805 0.3211 0.3554 0.0292  -0.0150 0.0297  244 LEU A O   
831  C CB  . LEU A 120 ? 0.3351 0.3498 0.1864 0.0314  0.0076  0.0070  244 LEU A CB  
832  C CG  . LEU A 120 ? 0.3351 0.3044 0.2908 0.0505  -0.0256 -0.0408 244 LEU A CG  
833  C CD1 . LEU A 120 ? 0.3379 0.3018 0.2735 0.0376  -0.0019 0.0153  244 LEU A CD1 
834  C CD2 . LEU A 120 ? 0.3225 0.3060 0.3029 -0.0100 -0.0040 -0.0240 244 LEU A CD2 
835  N N   . THR A 121 ? 0.3550 0.3030 0.2832 0.0238  0.0041  -0.0090 245 THR A N   
836  C CA  . THR A 121 ? 0.4668 0.2910 0.3790 0.0030  -0.0048 0.0189  245 THR A CA  
837  C C   . THR A 121 ? 0.3914 0.3091 0.3470 0.0170  -0.0410 -0.0578 245 THR A C   
838  O O   . THR A 121 ? 0.4301 0.3395 0.4010 0.0087  0.0018  0.0199  245 THR A O   
839  C CB  . THR A 121 ? 0.3322 0.3333 0.2987 0.0202  -0.0232 0.0127  245 THR A CB  
840  O OG1 . THR A 121 ? 0.4321 0.3202 0.3175 0.0702  -0.0164 -0.0442 245 THR A OG1 
841  C CG2 . THR A 121 ? 0.4116 0.3458 0.3810 0.0474  0.0304  -0.0123 245 THR A CG2 
842  N N   . THR A 122 ? 0.4155 0.2753 0.3364 0.0115  0.0106  0.0161  246 THR A N   
843  C CA  . THR A 122 ? 0.3796 0.2898 0.3056 0.0329  -0.0082 -0.0363 246 THR A CA  
844  C C   . THR A 122 ? 0.3763 0.3177 0.3158 0.0050  -0.0092 0.0087  246 THR A C   
845  O O   . THR A 122 ? 0.4157 0.2617 0.2869 -0.0053 0.0122  -0.0197 246 THR A O   
846  C CB  . THR A 122 ? 0.3975 0.2452 0.3106 -0.0197 -0.0474 0.0031  246 THR A CB  
847  O OG1 . THR A 122 ? 0.4724 0.2762 0.3881 0.0372  -0.0199 -0.0641 246 THR A OG1 
848  C CG2 . THR A 122 ? 0.4311 0.3005 0.3714 -0.0569 0.0904  -0.1024 246 THR A CG2 
849  N N   . VAL A 123 ? 0.4060 0.2463 0.3474 -0.0424 -0.0235 -0.0004 247 VAL A N   
850  C CA  . VAL A 123 ? 0.3769 0.2405 0.3176 -0.0312 0.0356  -0.0160 247 VAL A CA  
851  C C   . VAL A 123 ? 0.3453 0.3163 0.3673 -0.0096 -0.0184 0.0358  247 VAL A C   
852  O O   . VAL A 123 ? 0.3875 0.3057 0.3622 -0.0007 -0.0087 0.0144  247 VAL A O   
853  C CB  . VAL A 123 ? 0.3951 0.2512 0.3233 -0.0960 0.0449  -0.0205 247 VAL A CB  
854  C CG1 . VAL A 123 ? 0.3591 0.2824 0.3788 -0.0191 -0.0007 -0.0570 247 VAL A CG1 
855  C CG2 . VAL A 123 ? 0.3816 0.3276 0.2859 -0.0555 0.0332  -0.0103 247 VAL A CG2 
856  N N   . SER A 124 ? 0.3863 0.2424 0.3381 -0.0277 0.0028  -0.0029 248 SER A N   
857  C CA  . SER A 124 ? 0.3810 0.3588 0.2703 0.0124  -0.0326 -0.0155 248 SER A CA  
858  C C   . SER A 124 ? 0.4285 0.3034 0.4280 -0.0336 0.0262  -0.0165 248 SER A C   
859  O O   . SER A 124 ? 0.4286 0.3790 0.3810 -0.0121 0.0161  -0.0149 248 SER A O   
860  C CB  . SER A 124 ? 0.3983 0.3195 0.3879 0.0359  -0.1112 0.0568  248 SER A CB  
861  O OG  . SER A 124 ? 0.4215 0.4068 0.3389 -0.0419 -0.0383 0.0435  248 SER A OG  
862  N N   . PRO A 125 ? 0.3395 0.3140 0.4097 -0.0540 -0.0522 -0.0438 249 PRO A N   
863  C CA  . PRO A 125 ? 0.2428 0.5073 0.6754 0.0294  0.0989  -0.0827 249 PRO A CA  
864  C C   . PRO A 125 ? 0.6677 1.0729 1.4591 0.3096  0.0983  0.0585  249 PRO A C   
865  O O   . PRO A 125 ? 0.7967 1.0797 0.5293 0.4806  0.1620  -0.4946 249 PRO A O   
866  C CB  . PRO A 125 ? 0.7933 0.4578 0.6911 -0.2854 0.0000  -0.0383 249 PRO A CB  
867  C CG  . PRO A 125 ? 0.7589 0.6046 0.6746 -0.3131 0.0469  -0.1536 249 PRO A CG  
868  C CD  . PRO A 125 ? 0.4803 0.4600 0.4682 -0.0907 0.0558  -0.0861 249 PRO A CD  
869  N N   . THR A 126 ? 1.0107 1.4652 0.9513 0.1730  -0.1124 -0.3360 250 THR A N   
870  C CA  . THR A 126 ? 1.5872 0.4085 1.6291 0.1682  -0.1876 -0.2242 250 THR A CA  
871  C C   . THR A 126 ? 1.3484 0.8579 1.8681 0.2421  0.2711  0.4977  250 THR A C   
872  O O   . THR A 126 ? 0.6292 0.7784 1.3901 -0.0648 0.6569  -0.0121 250 THR A O   
873  C CB  . THR A 126 ? 0.9307 1.2631 1.9212 0.5505  -0.1557 -0.0247 250 THR A CB  
874  O OG1 . THR A 126 ? 0.6429 2.2042 1.8427 0.6668  0.3195  0.1310  250 THR A OG1 
875  C CG2 . THR A 126 ? 0.9863 1.3553 2.0766 -0.0374 0.3006  0.6915  250 THR A CG2 
876  N N   . PTR B .   ? 0.5592 0.5142 0.7510 -0.0381 0.1556  -0.2956 301 PTR A N   
877  C CA  . PTR B .   ? 0.7168 0.5037 0.4257 0.1136  0.1186  0.1263  301 PTR A CA  
878  C C   . PTR B .   ? 0.8565 0.5548 0.6594 0.0883  0.0984  0.0910  301 PTR A C   
879  O O   . PTR B .   ? 0.6575 1.2008 0.5979 0.3840  0.2181  0.0302  301 PTR A O   
880  O OXT . PTR B .   ? 0.9974 0.6920 0.8612 -0.0705 0.1271  -0.0023 301 PTR A OXT 
881  C CB  . PTR B .   ? 0.3384 0.5189 0.6331 0.0246  0.0674  0.1843  301 PTR A CB  
882  C CG  . PTR B .   ? 0.4116 0.4256 0.4017 0.0535  0.0630  0.0532  301 PTR A CG  
883  C CD1 . PTR B .   ? 0.3644 0.3875 0.3982 -0.0269 0.0646  0.0669  301 PTR A CD1 
884  C CD2 . PTR B .   ? 0.4656 0.3359 0.4145 0.0032  -0.1022 0.0479  301 PTR A CD2 
885  C CE1 . PTR B .   ? 0.4199 0.3658 0.3919 -0.0353 0.0432  0.1025  301 PTR A CE1 
886  C CE2 . PTR B .   ? 0.5065 0.2984 0.3432 0.0067  -0.0175 0.0702  301 PTR A CE2 
887  C CZ  . PTR B .   ? 0.2801 0.3531 0.3655 -0.0108 0.0403  0.0971  301 PTR A CZ  
888  O OH  . PTR B .   ? 0.3161 0.3577 0.3669 -0.0369 0.0241  0.0605  301 PTR A OH  
889  P P   . PTR B .   ? 0.3961 0.3140 0.3355 0.0021  0.0322  0.0181  301 PTR A P   
890  O O1P . PTR B .   ? 0.3916 0.2648 0.3609 -0.0115 0.0521  0.0078  301 PTR A O1P 
891  O O2P . PTR B .   ? 0.3612 0.3342 0.3342 -0.0186 0.0057  0.0456  301 PTR A O2P 
892  O O3P . PTR B .   ? 0.4845 0.3495 0.5027 0.0400  0.0998  0.1327  301 PTR A O3P 
893  O O   . HOH C .   ? 0.4714 1.0209 0.5218 -0.0773 -0.0421 0.0695  401 HOH A O   
894  O O   . HOH C .   ? 0.6416 1.1838 0.6524 -0.2568 -0.1534 0.3147  402 HOH A O   
895  O O   . HOH C .   ? 1.0404 0.7583 0.4660 0.0137  -0.1635 -0.0929 403 HOH A O   
896  O O   . HOH C .   ? 0.6292 0.5594 0.8207 -0.1264 0.1867  -0.1235 404 HOH A O   
897  O O   . HOH C .   ? 0.8347 0.5737 0.6790 -0.0101 0.0358  0.0398  405 HOH A O   
898  O O   . HOH C .   ? 0.8634 0.4465 0.6162 -0.0233 -0.0420 0.0212  406 HOH A O   
899  O O   . HOH C .   ? 0.4676 0.7943 0.4878 -0.1606 0.0069  0.0517  407 HOH A O   
900  O O   . HOH C .   ? 0.6330 0.6673 0.9114 0.0914  -0.0469 -0.1494 408 HOH A O   
901  O O   . HOH C .   ? 0.6464 0.5135 0.3020 -0.1014 0.0779  0.0336  409 HOH A O   
902  O O   . HOH C .   ? 0.5809 0.5197 0.8417 -0.0091 0.2322  0.1203  410 HOH A O   
903  O O   . HOH C .   ? 0.5422 0.7537 0.5846 0.1808  -0.1479 -0.0478 411 HOH A O   
904  O O   . HOH C .   ? 0.7427 0.5251 0.6145 0.0440  0.0000  0.0893  412 HOH A O   
905  O O   . HOH C .   ? 0.7160 0.7324 1.2318 -0.1517 -0.1494 0.1418  413 HOH A O   
906  O O   . HOH C .   ? 0.7034 0.5133 0.8953 -0.0091 -0.0624 0.0728  414 HOH A O   
907  O O   . HOH C .   ? 0.5168 0.3616 0.3073 -0.0020 -0.0024 -0.0687 415 HOH A O   
908  O O   . HOH C .   ? 0.9552 0.5271 0.4938 0.1709  -0.0337 -0.0742 416 HOH A O   
909  O O   . HOH C .   ? 0.5682 0.5952 0.7871 0.0133  0.0391  0.0239  417 HOH A O   
910  O O   . HOH C .   ? 1.1994 0.8678 0.6727 0.2511  -0.1234 -0.1158 418 HOH A O   
911  O O   . HOH C .   ? 0.3804 0.6126 0.4351 0.0034  0.0359  -0.0154 419 HOH A O   
912  O O   . HOH C .   ? 0.7066 0.4979 0.6075 -0.0172 0.0212  0.1565  420 HOH A O   
913  O O   . HOH C .   ? 0.5697 0.5169 0.6547 0.0681  -0.0722 0.0981  421 HOH A O   
914  O O   . HOH C .   ? 0.7039 0.7854 0.7423 -0.0299 -0.1750 -0.1891 422 HOH A O   
915  O O   . HOH C .   ? 0.6674 0.5789 0.7425 0.0703  -0.0412 0.2693  423 HOH A O   
916  O O   . HOH C .   ? 0.6584 0.5790 0.5896 -0.0092 -0.0447 0.0470  424 HOH A O   
917  O O   . HOH C .   ? 0.6211 0.5497 0.6455 0.1154  0.2109  0.1519  425 HOH A O   
918  O O   . HOH C .   ? 0.3378 0.4162 0.4452 0.0223  0.0206  0.1233  426 HOH A O   
919  O O   . HOH C .   ? 0.7585 0.4530 0.5233 -0.0701 0.0445  0.1074  427 HOH A O   
920  O O   . HOH C .   ? 0.5849 0.4312 0.3410 -0.1256 0.0565  -0.1069 428 HOH A O   
921  O O   . HOH C .   ? 0.6648 0.4850 0.6993 0.0270  0.2562  0.0019  429 HOH A O   
922  O O   . HOH C .   ? 0.6173 0.3702 0.5849 -0.0949 -0.0097 0.0221  430 HOH A O   
923  O O   . HOH C .   ? 0.5831 0.7679 0.6218 0.0043  -0.0803 -0.1809 431 HOH A O   
924  O O   . HOH C .   ? 0.6481 0.8181 0.9221 -0.0976 -0.2040 0.0429  432 HOH A O   
925  O O   . HOH C .   ? 0.5775 0.3080 0.5000 0.0767  -0.0222 -0.0040 433 HOH A O   
926  O O   . HOH C .   ? 0.7701 1.1321 0.4677 0.1893  -0.0655 0.0950  434 HOH A O   
927  O O   . HOH C .   ? 0.4228 0.3774 0.5491 -0.0942 -0.1240 -0.0501 435 HOH A O   
928  O O   . HOH C .   ? 0.5760 0.4178 0.4603 0.0593  0.0540  0.0130  436 HOH A O   
929  O O   . HOH C .   ? 0.5239 0.8740 0.7760 -0.0685 0.1238  0.1032  437 HOH A O   
930  O O   . HOH C .   ? 0.7193 0.6253 0.6090 0.2924  0.0635  0.0167  438 HOH A O   
931  O O   . HOH C .   ? 0.6119 0.5117 0.8774 -0.0087 -0.0691 0.1651  439 HOH A O   
932  O O   . HOH C .   ? 0.2514 0.3601 0.3926 0.0089  -0.0237 0.0633  440 HOH A O   
933  O O   . HOH C .   ? 0.7569 0.9167 0.6376 -0.2699 0.0998  -0.1954 441 HOH A O   
934  O O   . HOH C .   ? 0.5307 0.7601 0.6675 -0.1810 0.0026  -0.0744 442 HOH A O   
935  O O   . HOH C .   ? 0.4411 0.3873 0.4528 0.0528  -0.0707 0.0876  443 HOH A O   
936  O O   . HOH C .   ? 0.4127 0.4498 0.3905 0.0133  -0.0282 -0.0597 444 HOH A O   
937  O O   . HOH C .   ? 0.7202 0.9388 0.6317 0.1553  -0.2066 -0.0358 445 HOH A O   
938  O O   . HOH C .   ? 0.4390 0.6532 0.5808 0.0317  -0.1025 -0.0246 446 HOH A O   
939  O O   . HOH C .   ? 0.3470 0.3953 0.3650 0.0258  0.0641  -0.0114 447 HOH A O   
940  O O   . HOH C .   ? 0.8238 0.5659 0.4412 0.1749  -0.1151 0.0472  448 HOH A O   
941  O O   . HOH C .   ? 0.5399 0.4401 0.7826 -0.0310 0.2741  0.0562  449 HOH A O   
942  O O   . HOH C .   ? 0.6797 0.6182 0.8261 -0.2081 -0.2697 0.1394  450 HOH A O   
943  O O   . HOH C .   ? 0.6421 0.3429 0.5633 0.1170  -0.1269 -0.0236 451 HOH A O   
944  O O   . HOH C .   ? 0.6358 0.9561 0.4753 0.2075  0.0614  0.1768  452 HOH A O   
945  O O   . HOH C .   ? 0.9705 0.4529 0.6380 0.1090  -0.1772 -0.0043 453 HOH A O   
946  O O   . HOH C .   ? 0.3558 0.5085 0.4493 0.0080  0.0948  -0.0231 454 HOH A O   
947  O O   . HOH C .   ? 0.4348 0.4576 0.5266 -0.0524 -0.0168 0.0551  455 HOH A O   
948  O O   A HOH C .   ? 0.2781 0.3930 0.3240 -0.0425 -0.0041 -0.0108 456 HOH A O   
949  O O   B HOH C .   ? 0.3428 0.4577 0.5360 0.0966  -0.1430 0.1349  456 HOH A O   
950  O O   . HOH C .   ? 0.3870 0.4511 0.3748 0.0123  0.0238  0.0013  457 HOH A O   
951  O O   . HOH C .   ? 0.9068 0.3952 0.6293 0.1245  0.0733  -0.0153 458 HOH A O   
952  O O   . HOH C .   ? 0.2903 0.4426 0.5239 -0.0673 0.0656  -0.0311 459 HOH A O   
953  O O   . HOH C .   ? 0.6425 0.4226 0.3683 -0.1020 0.0203  0.0596  460 HOH A O   
954  O O   . HOH C .   ? 0.4847 0.5630 0.8391 -0.0368 -0.1692 0.1149  461 HOH A O   
955  O O   . HOH C .   ? 0.5835 0.4064 0.3394 0.1197  0.1138  0.0549  462 HOH A O   
956  O O   . HOH C .   ? 0.7203 0.4835 0.8714 -0.0930 -0.1425 0.0721  463 HOH A O   
957  O O   . HOH C .   ? 0.4976 0.3973 0.4971 -0.0211 -0.0543 0.0816  464 HOH A O   
958  O O   . HOH C .   ? 0.5759 0.5663 0.9256 -0.1246 -0.0255 -0.0089 465 HOH A O   
959  O O   . HOH C .   ? 0.3820 0.8006 0.9818 0.1328  0.0949  0.2961  466 HOH A O   
960  O O   . HOH C .   ? 0.5841 0.3788 0.5932 0.0167  -0.1317 0.1102  467 HOH A O   
961  O O   . HOH C .   ? 0.4786 0.4754 0.6756 0.0844  -0.0788 -0.2158 468 HOH A O   
962  O O   . HOH C .   ? 0.6449 1.0341 0.4952 -0.0551 0.0077  0.2354  469 HOH A O   
963  O O   . HOH C .   ? 0.5264 0.3989 0.5107 0.0975  -0.1238 0.0423  470 HOH A O   
964  O O   . HOH C .   ? 0.7815 0.9552 0.5845 -0.1023 -0.0094 0.0193  471 HOH A O   
965  O O   . HOH C .   ? 0.4959 0.7249 0.6626 -0.0619 0.0178  -0.0599 472 HOH A O   
966  O O   . HOH C .   ? 0.4738 0.6840 0.5363 -0.0498 -0.0944 -0.0366 473 HOH A O   
967  O O   . HOH C .   ? 0.5458 0.6691 0.7847 0.0235  -0.0558 -0.0048 474 HOH A O   
968  O O   . HOH C .   ? 0.4672 0.5254 0.5219 0.0801  0.0668  -0.0560 475 HOH A O   
969  O O   . HOH C .   ? 0.3562 0.4859 0.4946 -0.0204 0.1515  0.0810  476 HOH A O   
970  O O   . HOH C .   ? 0.6754 0.7270 0.6472 -0.0745 0.0477  0.2431  477 HOH A O   
971  O O   . HOH C .   ? 0.5133 0.6297 0.6973 0.0444  -0.0220 -0.0511 478 HOH A O   
972  O O   . HOH C .   ? 0.5884 0.5510 0.5453 0.0212  -0.0060 -0.0042 479 HOH A O   
973  O O   . HOH C .   ? 0.7265 0.4758 0.5127 0.0646  -0.1560 0.0761  480 HOH A O   
974  O O   . HOH C .   ? 0.3545 0.3708 0.3826 0.0038  -0.0568 0.0408  481 HOH A O   
975  O O   . HOH C .   ? 0.3949 0.3295 0.3083 -0.0322 0.0314  -0.0375 482 HOH A O   
976  O O   . HOH C .   ? 0.4714 0.5776 0.5858 -0.1578 -0.0237 -0.0741 483 HOH A O   
977  O O   . HOH C .   ? 0.7276 0.4819 1.0948 0.1438  0.0214  0.2925  484 HOH A O   
978  O O   . HOH C .   ? 0.4989 0.5267 0.6539 0.0013  0.2060  -0.1362 485 HOH A O   
979  O O   . HOH C .   ? 0.4768 0.3854 0.4806 -0.0599 0.1013  -0.0523 486 HOH A O   
980  O O   . HOH C .   ? 0.5528 0.9278 0.7462 -0.0348 0.0808  0.1900  487 HOH A O   
981  O O   . HOH C .   ? 0.7613 0.6711 0.4132 -0.0230 0.0854  0.0440  488 HOH A O   
982  O O   . HOH C .   ? 0.5795 0.5972 0.5743 -0.0522 -0.0762 -0.1825 489 HOH A O   
983  O O   . HOH C .   ? 0.7241 0.7971 0.5151 0.0095  0.0167  -0.1042 490 HOH A O   
984  O O   . HOH C .   ? 0.5705 0.3627 0.2925 -0.0157 -0.0662 0.0369  491 HOH A O   
985  O O   . HOH C .   ? 0.7624 0.6911 0.6835 -0.0029 0.0324  0.0294  492 HOH A O   
986  O O   . HOH C .   ? 0.3384 0.4598 0.3302 0.1078  0.0197  -0.0616 493 HOH A O   
987  O O   . HOH C .   ? 0.6342 0.6451 0.3536 -0.1277 0.0650  -0.0805 494 HOH A O   
988  O O   . HOH C .   ? 1.0396 0.6385 0.8735 -0.2077 -0.3806 0.1483  495 HOH A O   
989  O O   . HOH C .   ? 0.6530 1.1217 0.6276 -0.0808 -0.0602 0.2034  496 HOH A O   
990  O O   . HOH C .   ? 0.4888 0.3620 0.3094 -0.0102 -0.0333 -0.0680 497 HOH A O   
991  O O   . HOH C .   ? 0.4215 0.4314 0.5448 0.0851  0.0612  -0.0255 498 HOH A O   
992  O O   . HOH C .   ? 0.5138 0.3862 0.4570 0.0154  0.0486  -0.1213 499 HOH A O   
993  O O   . HOH C .   ? 0.6979 0.7515 0.5295 -0.2323 -0.1063 -0.0075 500 HOH A O   
994  O O   . HOH C .   ? 0.7184 0.5925 0.7995 -0.0149 0.1752  0.0440  501 HOH A O   
995  O O   . HOH C .   ? 0.5946 0.5193 0.9603 -0.0299 -0.0960 -0.1205 502 HOH A O   
996  O O   . HOH C .   ? 0.7275 0.9476 0.7977 -0.0001 -0.1803 -0.3790 503 HOH A O   
997  O O   . HOH C .   ? 0.6496 0.6760 0.7202 -0.0621 0.0661  -0.1416 504 HOH A O   
998  O O   . HOH C .   ? 0.5996 0.7413 0.7928 0.0005  -0.0638 -0.0324 505 HOH A O   
999  O O   . HOH C .   ? 1.1047 0.4553 0.5140 -0.1940 -0.0514 -0.0048 506 HOH A O   
1000 O O   . HOH C .   ? 0.5811 0.5681 0.6016 0.0323  -0.0300 0.0412  507 HOH A O   
1001 O O   . HOH C .   ? 0.6678 0.5288 0.7407 -0.1546 0.0167  0.0821  508 HOH A O   
1002 O O   . HOH C .   ? 0.6695 0.6105 0.7565 -0.0592 0.0381  -0.1899 509 HOH A O   
1003 O O   . HOH C .   ? 0.7486 0.6061 0.7813 0.0181  -0.0311 -0.2166 510 HOH A O   
1004 O O   . HOH C .   ? 0.7031 0.4080 0.5150 -0.0486 0.0099  0.0982  511 HOH A O   
1005 O O   . HOH C .   ? 0.8431 0.4733 0.7375 0.1146  0.2717  0.0630  512 HOH A O   
1006 O O   . HOH C .   ? 0.8335 0.4426 0.6214 -0.0527 -0.0229 0.1182  513 HOH A O   
1007 O O   . HOH C .   ? 1.0429 0.4167 0.4672 0.0566  0.0047  0.0378  514 HOH A O   
1008 O O   . HOH C .   ? 0.5762 0.7072 0.5622 0.1222  0.1343  -0.0459 515 HOH A O   
1009 O O   . HOH C .   ? 0.8492 0.8197 0.5703 -0.0362 -0.0181 0.0076  516 HOH A O   
1010 O O   . HOH C .   ? 0.8714 0.5310 0.6788 0.0110  0.1302  -0.0130 517 HOH A O   
1011 O O   . HOH C .   ? 0.8228 0.7066 0.5856 0.0839  0.0184  -0.0668 518 HOH A O   
1012 O O   . HOH C .   ? 0.8545 0.7115 0.6430 0.0023  -0.0180 0.1417  519 HOH A O   
1013 O O   . HOH C .   ? 0.5430 0.5467 0.6952 0.0463  0.1876  0.0768  520 HOH A O   
1014 O O   . HOH C .   ? 0.6973 0.7328 0.8266 0.0166  0.1694  0.1808  521 HOH A O   
1015 O O   . HOH C .   ? 0.6409 0.5748 0.7168 0.0619  0.0802  -0.0072 522 HOH A O   
1016 O O   . HOH C .   ? 0.5617 0.5451 0.6983 0.0025  -0.1730 -0.0005 523 HOH A O   
1017 O O   . HOH C .   ? 0.7446 0.9333 0.6472 0.0645  -0.2017 -0.0229 524 HOH A O   
1018 O O   . HOH C .   ? 0.7795 0.4495 0.5688 0.0943  0.0151  0.0672  525 HOH A O   
1019 O O   . HOH C .   ? 0.6949 0.7253 0.6701 -0.0266 -0.1382 -0.0401 526 HOH A O   
1020 O O   . HOH C .   ? 0.4580 0.5237 0.3903 -0.0815 0.0405  0.0712  527 HOH A O   
1021 O O   . HOH C .   ? 0.7496 0.8850 0.5265 0.1645  0.0651  0.2322  528 HOH A O   
1022 O O   . HOH C .   ? 0.8031 0.4958 0.6213 -0.1231 -0.0626 0.0451  529 HOH A O   
1023 O O   . HOH C .   ? 0.7735 0.5231 0.7315 0.0585  -0.0943 0.0886  530 HOH A O   
1024 O O   . HOH C .   ? 0.5597 0.6360 0.6693 0.0008  0.0347  -0.0073 531 HOH A O   
1025 O O   . HOH C .   ? 0.7650 1.0040 0.7507 0.0619  0.0727  0.1777  532 HOH A O   
1026 O O   . HOH C .   ? 0.7383 0.6090 0.4604 0.1387  0.0716  -0.0072 533 HOH A O   
1027 O O   . HOH C .   ? 0.7473 0.3744 0.4931 -0.0203 0.1023  0.0692  534 HOH A O   
1028 O O   . HOH C .   ? 0.6916 0.7083 1.1700 -0.0555 -0.0697 0.0360  535 HOH A O   
1029 O O   . HOH C .   ? 0.5418 0.6975 0.6178 0.0151  -0.1052 0.1504  536 HOH A O   
# 
