data_8VCF
# 
_entry.id   8VCF 
# 
_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   8VCF         pdb_00008vcf 10.2210/pdb8vcf/pdb 
WWPDB D_1000279814 ?            ?                   
# 
_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                        8VCF 
_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 
'Patskovsky, Y.' 3 0000-0003-3316-2295 
'Oltean, N.'     4 0009-0000-6715-6593 
'Krogsgaard, M.' 5 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' 14407.089 1   2.7.10.2 ? 'SH2 DOMAIN' ? 
2 water   nat water                                                     18.015    120 ?        ? ?            ? 
# 
_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
YLIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLSHRLTTVSPTS
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGSSHHHHHHGLVPRGSHMDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETVKGAYALSVSDFDNAKGLNVKH
YLIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLSHRLTTVSPTS
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     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 
1 127 SER 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                   127 
_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                       ? 
_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 
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 ?   ?   ?   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 
A 1 127 SER 127 251 251 SER SER A . n 
# 
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 HOH 1   301 25  HOH HOH A . 
B 2 HOH 2   302 142 HOH HOH A . 
B 2 HOH 3   303 32  HOH HOH A . 
B 2 HOH 4   304 10  HOH HOH A . 
B 2 HOH 5   305 254 HOH HOH A . 
B 2 HOH 6   306 56  HOH HOH A . 
B 2 HOH 7   307 151 HOH HOH A . 
B 2 HOH 8   308 6   HOH HOH A . 
B 2 HOH 9   309 144 HOH HOH A . 
B 2 HOH 10  310 20  HOH HOH A . 
B 2 HOH 11  311 264 HOH HOH A . 
B 2 HOH 12  312 276 HOH HOH A . 
B 2 HOH 13  313 273 HOH HOH A . 
B 2 HOH 14  314 251 HOH HOH A . 
B 2 HOH 15  315 274 HOH HOH A . 
B 2 HOH 16  316 266 HOH HOH A . 
B 2 HOH 17  317 64  HOH HOH A . 
B 2 HOH 18  318 256 HOH HOH A . 
B 2 HOH 19  319 11  HOH HOH A . 
B 2 HOH 20  320 50  HOH HOH A . 
B 2 HOH 21  321 247 HOH HOH A . 
B 2 HOH 22  322 35  HOH HOH A . 
B 2 HOH 23  323 150 HOH HOH A . 
B 2 HOH 24  324 269 HOH HOH A . 
B 2 HOH 25  325 243 HOH HOH A . 
B 2 HOH 26  326 241 HOH HOH A . 
B 2 HOH 27  327 34  HOH HOH A . 
B 2 HOH 28  328 259 HOH HOH A . 
B 2 HOH 29  329 48  HOH HOH A . 
B 2 HOH 30  330 214 HOH HOH A . 
B 2 HOH 31  331 238 HOH HOH A . 
B 2 HOH 32  332 267 HOH HOH A . 
B 2 HOH 33  333 220 HOH HOH A . 
B 2 HOH 34  334 248 HOH HOH A . 
B 2 HOH 35  335 265 HOH HOH A . 
B 2 HOH 36  336 262 HOH HOH A . 
B 2 HOH 37  337 223 HOH HOH A . 
B 2 HOH 38  338 230 HOH HOH A . 
B 2 HOH 39  339 284 HOH HOH A . 
B 2 HOH 40  340 46  HOH HOH A . 
B 2 HOH 41  341 186 HOH HOH A . 
B 2 HOH 42  342 228 HOH HOH A . 
B 2 HOH 43  343 15  HOH HOH A . 
B 2 HOH 44  344 244 HOH HOH A . 
B 2 HOH 45  345 190 HOH HOH A . 
B 2 HOH 46  346 73  HOH HOH A . 
B 2 HOH 47  347 189 HOH HOH A . 
B 2 HOH 48  348 263 HOH HOH A . 
B 2 HOH 49  349 246 HOH HOH A . 
B 2 HOH 50  350 29  HOH HOH A . 
B 2 HOH 51  351 279 HOH HOH A . 
B 2 HOH 52  352 253 HOH HOH A . 
B 2 HOH 53  353 22  HOH HOH A . 
B 2 HOH 54  354 237 HOH HOH A . 
B 2 HOH 55  355 200 HOH HOH A . 
B 2 HOH 56  356 236 HOH HOH A . 
B 2 HOH 57  357 24  HOH HOH A . 
B 2 HOH 58  358 31  HOH HOH A . 
B 2 HOH 59  359 107 HOH HOH A . 
B 2 HOH 60  360 255 HOH HOH A . 
B 2 HOH 61  361 17  HOH HOH A . 
B 2 HOH 62  362 275 HOH HOH A . 
B 2 HOH 63  363 227 HOH HOH A . 
B 2 HOH 64  364 43  HOH HOH A . 
B 2 HOH 65  365 270 HOH HOH A . 
B 2 HOH 66  366 63  HOH HOH A . 
B 2 HOH 67  367 218 HOH HOH A . 
B 2 HOH 68  368 187 HOH HOH A . 
B 2 HOH 69  369 78  HOH HOH A . 
B 2 HOH 70  370 224 HOH HOH A . 
B 2 HOH 71  371 130 HOH HOH A . 
B 2 HOH 72  372 9   HOH HOH A . 
B 2 HOH 73  373 12  HOH HOH A . 
B 2 HOH 74  374 5   HOH HOH A . 
B 2 HOH 75  375 211 HOH HOH A . 
B 2 HOH 76  376 242 HOH HOH A . 
B 2 HOH 77  377 250 HOH HOH A . 
B 2 HOH 78  378 239 HOH HOH A . 
B 2 HOH 79  379 219 HOH HOH A . 
B 2 HOH 80  380 252 HOH HOH A . 
B 2 HOH 81  381 26  HOH HOH A . 
B 2 HOH 82  382 66  HOH HOH A . 
B 2 HOH 83  383 94  HOH HOH A . 
B 2 HOH 84  384 221 HOH HOH A . 
B 2 HOH 85  385 280 HOH HOH A . 
B 2 HOH 86  386 216 HOH HOH A . 
B 2 HOH 87  387 113 HOH HOH A . 
B 2 HOH 88  388 88  HOH HOH A . 
B 2 HOH 89  389 268 HOH HOH A . 
B 2 HOH 90  390 57  HOH HOH A . 
B 2 HOH 91  391 225 HOH HOH A . 
B 2 HOH 92  392 260 HOH HOH A . 
B 2 HOH 93  393 141 HOH HOH A . 
B 2 HOH 94  394 51  HOH HOH A . 
B 2 HOH 95  395 68  HOH HOH A . 
B 2 HOH 96  396 115 HOH HOH A . 
B 2 HOH 97  397 16  HOH HOH A . 
B 2 HOH 98  398 257 HOH HOH A . 
B 2 HOH 99  399 282 HOH HOH A . 
B 2 HOH 100 400 281 HOH HOH A . 
B 2 HOH 101 401 245 HOH HOH A . 
B 2 HOH 102 402 277 HOH HOH A . 
B 2 HOH 103 403 42  HOH HOH A . 
B 2 HOH 104 404 285 HOH HOH A . 
B 2 HOH 105 405 226 HOH HOH A . 
B 2 HOH 106 406 39  HOH HOH A . 
B 2 HOH 107 407 101 HOH HOH A . 
B 2 HOH 108 408 261 HOH HOH A . 
B 2 HOH 109 409 272 HOH HOH A . 
B 2 HOH 110 410 249 HOH HOH A . 
B 2 HOH 111 411 92  HOH HOH A . 
B 2 HOH 112 412 96  HOH HOH A . 
B 2 HOH 113 413 271 HOH HOH A . 
B 2 HOH 114 414 258 HOH HOH A . 
B 2 HOH 115 415 55  HOH HOH A . 
B 2 HOH 116 416 59  HOH HOH A . 
B 2 HOH 117 417 231 HOH HOH A . 
B 2 HOH 118 418 283 HOH HOH A . 
B 2 HOH 119 419 99  HOH HOH A . 
B 2 HOH 120 420 278 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 ARG 159 ? CD  ? A ARG 35  CD  
2  1 Y 1 A ARG 159 ? NE  ? A ARG 35  NE  
3  1 Y 1 A ARG 159 ? CZ  ? A ARG 35  CZ  
4  1 Y 1 A ARG 159 ? NH1 ? A ARG 35  NH1 
5  1 Y 1 A ARG 159 ? NH2 ? A ARG 35  NH2 
6  1 Y 1 A LYS 184 ? CD  ? A LYS 60  CD  
7  1 Y 1 A LYS 184 ? CE  ? A LYS 60  CE  
8  1 Y 1 A LYS 184 ? NZ  ? A LYS 60  NZ  
9  1 Y 1 A LYS 198 ? CE  ? A LYS 74  CE  
10 1 Y 1 A LYS 198 ? NZ  ? A LYS 74  NZ  
11 1 Y 1 A LYS 209 ? CE  ? A LYS 85  CE  
12 1 Y 1 A LYS 209 ? NZ  ? A LYS 85  NZ  
13 1 Y 1 A LYS 235 ? CD  ? A LYS 111 CD  
14 1 Y 1 A LYS 235 ? CE  ? A LYS 111 CE  
15 1 Y 1 A LYS 235 ? NZ  ? A LYS 111 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 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-3000 ? ? ? .        1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless  ? ? ? .        2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        3 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0257 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                     8VCF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     67.481 
_cell.length_a_esd                 ? 
_cell.length_b                     67.481 
_cell.length_b_esd                 ? 
_cell.length_c                     46.886 
_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                         8VCF 
_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                   8VCF 
_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             2.17 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.36 
_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              7.5 
_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   ? 
_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                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'ADSC QUANTUM 210r' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-03 
_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)' 
_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   0.9794 
_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                        'APS BEAMLINE 19-BM' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9794 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   19-BM 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8VCF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.50 
_reflns.d_resolution_low                               46.890 
_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                                     19583 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.300 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          22.500 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.00 
_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                              0.0740 
_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                                    1.50 
_reflns_shell.d_res_low                                     1.53 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           3.800 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             943 
_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                               11.400 
_reflns_shell.pdbx_chi_squared                              0.00 
_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                          99.8 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.65 
_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]                            0.47 
_refine.aniso_B[1][2]                            0.23 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            0.47 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -1.52 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               33.101 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.981 
_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                                 8VCF 
_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                            1.50 
_refine.ls_d_res_low                             33.74 
_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                     18935 
_refine.ls_number_reflns_R_free                  601 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.88 
_refine.ls_percent_reflns_R_free                 3.1 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.13853 
_refine.ls_R_factor_R_free                       0.17664 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.13733 
_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                      'PDB ENTRY 4F59' 
_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                       0.065 
_refine.pdbx_overall_ESU_R_Free                  0.061 
_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                             2.965 
_refine.overall_SU_ML                            0.049 
_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                       1.50 
_refine_hist.d_res_low                        33.74 
_refine_hist.number_atoms_solvent             120 
_refine_hist.number_atoms_total               972 
_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        852 
_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  876  ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.017  783  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.856  1.643  1187 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.497  1.572  1808 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.456  5.000  109  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 24.672 21.400 50   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 14.743 15.000 144  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 14.314 15.000 7    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  114  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  995  ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  202  ? 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' ? 7.880  3.206  433  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 7.856  3.194  432  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 7.317  4.773  540  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 7.311  4.788  541  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 9.187  3.742  443  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 9.182  3.743  443  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 8.807  5.410  647  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 7.766  38.373 988  ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 7.587  37.575 960  ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? 20.896 3.000  1659 ? 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                       1.500 
_refine_ls_shell.d_res_low                        1.539 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             39 
_refine_ls_shell.number_reflns_R_work             1376 
_refine_ls_shell.percent_reflns_obs               100.00 
_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                  0.209 
_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                  0.255 
# 
_struct.entry_id                     8VCF 
_struct.title                        'Crystal structure of Superbinder Src SH2 domain with Cysteine to Serine mutations' 
_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        8VCF 
_struct_keywords.text            'SH2 DOMAIN, SUPERBINDER 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 ? 
# 
_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
NSLQQLVAYYSKHADGLCHRLTTVCPTS
;
_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              8VCF 
_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                 127 
_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                  268 
_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       251 
# 
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 8VCF MET A 1   ? UNP P12931 ?   ?   'initiating methionine' 125 1  
1 8VCF GLY A 2   ? UNP P12931 ?   ?   'expression tag'        126 2  
1 8VCF SER A 3   ? UNP P12931 ?   ?   'expression tag'        127 3  
1 8VCF SER A 4   ? UNP P12931 ?   ?   'expression tag'        128 4  
1 8VCF HIS A 5   ? UNP P12931 ?   ?   'expression tag'        129 5  
1 8VCF HIS A 6   ? UNP P12931 ?   ?   'expression tag'        130 6  
1 8VCF HIS A 7   ? UNP P12931 ?   ?   'expression tag'        131 7  
1 8VCF HIS A 8   ? UNP P12931 ?   ?   'expression tag'        132 8  
1 8VCF HIS A 9   ? UNP P12931 ?   ?   'expression tag'        133 9  
1 8VCF HIS A 10  ? UNP P12931 ?   ?   'expression tag'        134 10 
1 8VCF GLY A 11  ? UNP P12931 ?   ?   'expression tag'        135 11 
1 8VCF LEU A 12  ? UNP P12931 ?   ?   'expression tag'        136 12 
1 8VCF VAL A 13  ? UNP P12931 ?   ?   'expression tag'        137 13 
1 8VCF PRO A 14  ? UNP P12931 ?   ?   'expression tag'        138 14 
1 8VCF ARG A 15  ? UNP P12931 ?   ?   'expression tag'        139 15 
1 8VCF GLY A 16  ? UNP P12931 ?   ?   'expression tag'        140 16 
1 8VCF SER A 17  ? UNP P12931 ?   ?   'expression tag'        141 17 
1 8VCF HIS A 18  ? UNP P12931 ?   ?   'expression tag'        142 18 
1 8VCF MET A 19  ? UNP P12931 ?   ?   'expression tag'        143 19 
1 8VCF VAL A 59  ? UNP P12931 THR 200 conflict                183 20 
1 8VCF ALA A 64  ? UNP P12931 CYS 205 conflict                188 21 
1 8VCF LEU A 82  ? UNP P12931 LYS 223 conflict                206 22 
1 8VCF SER A 117 ? UNP P12931 CYS 258 conflict                241 23 
1 8VCF 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)'  6160 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_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   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 3 ? 
# 
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 ? parallel      
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? 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 TYR A 28  ? GLY A 30  ? TYR A 152 GLY A 154 
AA1 2 THR A 50  ? GLU A 55  ? THR A 174 GLU A 179 
AA1 3 TYR A 63  ? ASP A 71  ? TYR A 187 ASP A 195 
AA1 4 GLY A 75  ? LYS A 85  ? GLY A 199 LYS A 209 
AA1 5 PHE A 91  ? THR A 94  ? PHE A 215 THR A 218 
AA1 6 THR A 97  ? PHE A 99  ? THR A 221 PHE A 223 
AA2 1 TYR A 28  ? GLY A 30  ? TYR A 152 GLY A 154 
AA2 2 THR A 50  ? GLU A 55  ? THR A 174 GLU A 179 
AA2 3 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 N PHE A 29 ? N PHE A 153 O VAL A 53  ? O VAL A 177 
AA1 2 3 N THR A 50 ? N THR A 174 O SER A 68  ? O SER A 192 
AA1 3 4 N TYR A 63 ? N TYR A 187 O ILE A 83  ? O ILE A 207 
AA1 4 5 N ARG A 84 ? N ARG A 208 O TYR A 92  ? O TYR A 216 
AA1 5 6 N PHE A 91 ? N PHE A 215 O PHE A 99  ? O PHE A 223 
AA2 1 2 N PHE A 29 ? N PHE A 153 O VAL A 53  ? O VAL A 177 
AA2 2 3 N PHE A 51 ? N PHE A 175 O THR A 122 ? O THR A 246 
# 
_pdbx_entry_details.entry_id                   8VCF 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            C 
_pdbx_validate_rmsd_bond.auth_asym_id_1            A 
_pdbx_validate_rmsd_bond.auth_comp_id_1            THR 
_pdbx_validate_rmsd_bond.auth_seq_id_1             250 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            O 
_pdbx_validate_rmsd_bond.auth_asym_id_2            A 
_pdbx_validate_rmsd_bond.auth_comp_id_2            THR 
_pdbx_validate_rmsd_bond.auth_seq_id_2             250 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.345 
_pdbx_validate_rmsd_bond.bond_target_value         1.229 
_pdbx_validate_rmsd_bond.bond_deviation            0.116 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.019 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    PRO 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     249 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -46.47 
_pdbx_validate_torsion.psi             158.17 
# 
_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                       420 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.46 
_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 
19 1 Y 1 A MET 143 ? A MET 19 
# 
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 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
# 
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 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_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          'Triple mutant Src SH2 domain bound to phosphotyrosine' 
# 
_atom_sites.entry_id                    8VCF 
_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]   0.014819 
_atom_sites.fract_transf_matrix[1][2]   0.008556 
_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]   0.017111 
_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]   0.021328 
_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 
# 
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   . ASP A 1 20  ? -13.099 21.380 -18.744 1.00 77.62  ? 144 ASP A N   1 
ATOM   2   C CA  . ASP A 1 20  ? -12.274 21.694 -17.520 1.00 102.45 ? 144 ASP A CA  1 
ATOM   3   C C   . ASP A 1 20  ? -12.187 20.417 -16.666 1.00 72.00  ? 144 ASP A C   1 
ATOM   4   O O   . ASP A 1 20  ? -13.206 20.005 -16.105 1.00 45.56  ? 144 ASP A O   1 
ATOM   5   C CB  . ASP A 1 20  ? -12.849 22.870 -16.706 1.00 107.23 ? 144 ASP A CB  1 
ATOM   6   C CG  . ASP A 1 20  ? -12.384 24.287 -17.068 1.00 113.90 ? 144 ASP A CG  1 
ATOM   7   O OD1 . ASP A 1 20  ? -12.629 24.739 -18.255 1.00 55.54  ? 144 ASP A OD1 1 
ATOM   8   O OD2 . ASP A 1 20  ? -11.835 24.973 -16.132 1.00 71.77  ? 144 ASP A OD2 1 
ATOM   9   N N   . SER A 1 21  ? -11.018 19.781 -16.590 1.00 42.95  ? 145 SER A N   1 
ATOM   10  C CA  . SER A 1 21  ? -10.740 18.647 -15.657 1.00 40.65  ? 145 SER A CA  1 
ATOM   11  C C   . SER A 1 21  ? -10.757 19.135 -14.194 1.00 33.37  ? 145 SER A C   1 
ATOM   12  O O   . SER A 1 21  ? -10.407 20.324 -13.909 1.00 35.57  ? 145 SER A O   1 
ATOM   13  C CB  . SER A 1 21  ? -9.445  17.934 -15.984 1.00 43.22  ? 145 SER A CB  1 
ATOM   14  O OG  . SER A 1 21  ? -8.323  18.752 -15.674 1.00 55.71  ? 145 SER A OG  1 
ATOM   15  N N   . ILE A 1 22  ? -11.106 18.250 -13.259 1.00 35.86  ? 146 ILE A N   1 
ATOM   16  C CA  . ILE A 1 22  ? -11.108 18.611 -11.815 1.00 30.96  ? 146 ILE A CA  1 
ATOM   17  C C   . ILE A 1 22  ? -9.694  18.983 -11.384 1.00 29.65  ? 146 ILE A C   1 
ATOM   18  O O   . ILE A 1 22  ? -9.560  19.839 -10.533 1.00 27.51  ? 146 ILE A O   1 
ATOM   19  C CB  . ILE A 1 22  ? -11.779 17.567 -10.906 1.00 35.48  ? 146 ILE A CB  1 
ATOM   20  C CG1 . ILE A 1 22  ? -11.055 16.212 -10.961 1.00 37.32  ? 146 ILE A CG1 1 
ATOM   21  C CG2 . ILE A 1 22  ? -13.268 17.502 -11.258 1.00 37.73  ? 146 ILE A CG2 1 
ATOM   22  C CD1 . ILE A 1 22  ? -11.668 15.106 -10.117 1.00 40.11  ? 146 ILE A CD1 1 
ATOM   23  N N   . GLN A 1 23  ? -8.681  18.417 -12.007 1.00 33.05  ? 147 GLN A N   1 
ATOM   24  C CA  . GLN A 1 23  ? -7.279  18.616 -11.572 1.00 33.80  ? 147 GLN A CA  1 
ATOM   25  C C   . GLN A 1 23  ? -6.889  20.097 -11.799 1.00 26.11  ? 147 GLN A C   1 
ATOM   26  O O   . GLN A 1 23  ? -5.985  20.556 -11.128 1.00 35.87  ? 147 GLN A O   1 
ATOM   27  C CB  . GLN A 1 23  ? -6.431  17.545 -12.264 1.00 37.51  ? 147 GLN A CB  1 
ATOM   28  C CG  . GLN A 1 23  ? -6.688  16.081 -11.754 1.00 34.89  ? 147 GLN A CG  1 
ATOM   29  C CD  . GLN A 1 23  ? -7.882  15.353 -12.362 1.00 46.12  ? 147 GLN A CD  1 
ATOM   30  O OE1 . GLN A 1 23  ? -8.451  15.791 -13.381 1.00 38.76  ? 147 GLN A OE1 1 
ATOM   31  N NE2 . GLN A 1 23  ? -8.259  14.198 -11.777 1.00 38.83  ? 147 GLN A NE2 1 
ATOM   32  N N   . ALA A 1 24  ? -7.593  20.833 -12.663 1.00 33.25  ? 148 ALA A N   1 
ATOM   33  C CA  . ALA A 1 24  ? -7.321  22.267 -12.977 1.00 27.81  ? 148 ALA A CA  1 
ATOM   34  C C   . ALA A 1 24  ? -7.966  23.226 -11.974 1.00 29.54  ? 148 ALA A C   1 
ATOM   35  O O   . ALA A 1 24  ? -7.671  24.432 -12.019 1.00 36.77  ? 148 ALA A O   1 
ATOM   36  C CB  . ALA A 1 24  ? -7.750  22.604 -14.394 1.00 35.03  ? 148 ALA A CB  1 
ATOM   37  N N   . GLU A 1 25  ? -8.813  22.725 -11.083 1.00 27.03  ? 149 GLU A N   1 
ATOM   38  C CA  . GLU A 1 25  ? -9.618  23.582 -10.177 1.00 25.78  ? 149 GLU A CA  1 
ATOM   39  C C   . GLU A 1 25  ? -8.855  23.882 -8.886  1.00 26.86  ? 149 GLU A C   1 
ATOM   40  O O   . GLU A 1 25  ? -8.343  22.944 -8.308  1.00 25.11  ? 149 GLU A O   1 
ATOM   41  C CB  . GLU A 1 25  ? -10.913 22.853 -9.826  1.00 25.07  ? 149 GLU A CB  1 
ATOM   42  C CG  . GLU A 1 25  ? -11.813 22.564 -11.015 1.00 25.53  ? 149 GLU A CG  1 
ATOM   43  C CD  . GLU A 1 25  ? -12.512 23.710 -11.715 1.00 36.92  ? 149 GLU A CD  1 
ATOM   44  O OE1 . GLU A 1 25  ? -13.126 23.452 -12.797 1.00 40.29  ? 149 GLU A OE1 1 
ATOM   45  O OE2 . GLU A 1 25  ? -12.429 24.861 -11.200 1.00 35.98  ? 149 GLU A OE2 1 
ATOM   46  N N   . GLU A 1 26  ? -8.848  25.143 -8.419  1.00 27.71  ? 150 GLU A N   1 
ATOM   47  C CA  . GLU A 1 26  ? -8.024  25.561 -7.262  1.00 29.80  ? 150 GLU A CA  1 
ATOM   48  C C   . GLU A 1 26  ? -8.515  24.896 -5.978  1.00 24.04  ? 150 GLU A C   1 
ATOM   49  O O   . GLU A 1 26  ? -7.752  24.810 -5.025  1.00 26.50  ? 150 GLU A O   1 
ATOM   50  C CB  . GLU A 1 26  ? -7.990  27.081 -7.169  1.00 36.46  ? 150 GLU A CB  1 
ATOM   51  C CG  . GLU A 1 26  ? -7.394  27.653 -8.412  1.00 52.79  ? 150 GLU A CG  1 
ATOM   52  C CD  . GLU A 1 26  ? -7.109  29.113 -8.219  1.00 69.36  ? 150 GLU A CD  1 
ATOM   53  O OE1 . GLU A 1 26  ? -6.351  29.367 -7.270  1.00 44.23  ? 150 GLU A OE1 1 
ATOM   54  O OE2 . GLU A 1 26  ? -7.684  29.976 -8.969  1.00 69.67  ? 150 GLU A OE2 1 
ATOM   55  N N   . TRP A 1 27  ? -9.787  24.453 -5.944  1.00 23.41  ? 151 TRP A N   1 
ATOM   56  C CA  . TRP A 1 27  ? -10.389 23.803 -4.750  1.00 21.71  ? 151 TRP A CA  1 
ATOM   57  C C   . TRP A 1 27  ? -10.170 22.286 -4.797  1.00 22.19  ? 151 TRP A C   1 
ATOM   58  O O   . TRP A 1 27  ? -10.549 21.649 -3.792  1.00 22.42  ? 151 TRP A O   1 
ATOM   59  C CB  . TRP A 1 27  ? -11.878 24.127 -4.565  1.00 22.62  ? 151 TRP A CB  1 
ATOM   60  C CG  . TRP A 1 27  ? -12.675 24.134 -5.824  1.00 23.58  ? 151 TRP A CG  1 
ATOM   61  C CD1 . TRP A 1 27  ? -13.064 25.242 -6.533  1.00 24.87  ? 151 TRP A CD1 1 
ATOM   62  C CD2 . TRP A 1 27  ? -13.176 22.984 -6.526  1.00 22.72  ? 151 TRP A CD2 1 
ATOM   63  N NE1 . TRP A 1 27  ? -13.790 24.859 -7.616  1.00 24.77  ? 151 TRP A NE1 1 
ATOM   64  C CE2 . TRP A 1 27  ? -13.885 23.478 -7.631  1.00 25.17  ? 151 TRP A CE2 1 
ATOM   65  C CE3 . TRP A 1 27  ? -13.122 21.593 -6.299  1.00 25.24  ? 151 TRP A CE3 1 
ATOM   66  C CZ2 . TRP A 1 27  ? -14.523 22.621 -8.522  1.00 26.45  ? 151 TRP A CZ2 1 
ATOM   67  C CZ3 . TRP A 1 27  ? -13.754 20.759 -7.192  1.00 23.93  ? 151 TRP A CZ3 1 
ATOM   68  C CH2 . TRP A 1 27  ? -14.428 21.267 -8.288  1.00 24.29  ? 151 TRP A CH2 1 
ATOM   69  N N   . TYR A 1 28  ? -9.590  21.745 -5.871  1.00 21.13  ? 152 TYR A N   1 
ATOM   70  C CA  . TYR A 1 28  ? -9.424  20.272 -5.947  1.00 21.02  ? 152 TYR A CA  1 
ATOM   71  C C   . TYR A 1 28  ? -8.016  19.862 -5.454  1.00 22.77  ? 152 TYR A C   1 
ATOM   72  O O   . TYR A 1 28  ? -7.008  20.194 -6.100  1.00 24.86  ? 152 TYR A O   1 
ATOM   73  C CB  . TYR A 1 28  ? -9.675  19.731 -7.357  1.00 23.34  ? 152 TYR A CB  1 
ATOM   74  C CG  . TYR A 1 28  ? -9.542  18.221 -7.344  1.00 23.15  ? 152 TYR A CG  1 
ATOM   75  C CD1 . TYR A 1 28  ? -10.525 17.408 -6.788  1.00 25.73  ? 152 TYR A CD1 1 
ATOM   76  C CD2 . TYR A 1 28  ? -8.443  17.579 -7.870  1.00 24.45  ? 152 TYR A CD2 1 
ATOM   77  C CE1 . TYR A 1 28  ? -10.386 16.022 -6.718  1.00 31.01  ? 152 TYR A CE1 1 
ATOM   78  C CE2 . TYR A 1 28  ? -8.307  16.189 -7.864  1.00 26.00  ? 152 TYR A CE2 1 
ATOM   79  C CZ  . TYR A 1 28  ? -9.276  15.407 -7.280  1.00 31.66  ? 152 TYR A CZ  1 
ATOM   80  O OH  . TYR A 1 28  ? -9.079  14.046 -7.275  1.00 35.66  ? 152 TYR A OH  1 
ATOM   81  N N   . PHE A 1 29  ? -7.964  19.215 -4.284  1.00 23.73  ? 153 PHE A N   1 
ATOM   82  C CA  . PHE A 1 29  ? -6.712  18.821 -3.594  1.00 22.28  ? 153 PHE A CA  1 
ATOM   83  C C   . PHE A 1 29  ? -6.346  17.348 -3.803  1.00 23.64  ? 153 PHE A C   1 
ATOM   84  O O   . PHE A 1 29  ? -5.277  16.940 -3.315  1.00 26.58  ? 153 PHE A O   1 
ATOM   85  C CB  . PHE A 1 29  ? -6.761  19.221 -2.127  1.00 23.50  ? 153 PHE A CB  1 
ATOM   86  C CG  . PHE A 1 29  ? -6.512  20.672 -1.864  1.00 24.96  ? 153 PHE A CG  1 
ATOM   87  C CD1 . PHE A 1 29  ? -7.320  21.645 -2.390  1.00 24.51  ? 153 PHE A CD1 1 
ATOM   88  C CD2 . PHE A 1 29  ? -5.476  21.020 -1.033  1.00 29.04  ? 153 PHE A CD2 1 
ATOM   89  C CE1 . PHE A 1 29  ? -7.040  22.986 -2.128  1.00 25.86  ? 153 PHE A CE1 1 
ATOM   90  C CE2 . PHE A 1 29  ? -5.202  22.352 -0.759  1.00 31.44  ? 153 PHE A CE2 1 
ATOM   91  C CZ  . PHE A 1 29  ? -6.014  23.329 -1.282  1.00 28.81  ? 153 PHE A CZ  1 
ATOM   92  N N   . GLY A 1 30  ? -7.182  16.576 -4.490  1.00 23.49  ? 154 GLY A N   1 
ATOM   93  C CA  . GLY A 1 30  ? -6.818  15.193 -4.848  1.00 24.81  ? 154 GLY A CA  1 
ATOM   94  C C   . GLY A 1 30  ? -6.623  14.304 -3.625  1.00 23.88  ? 154 GLY A C   1 
ATOM   95  O O   . GLY A 1 30  ? -7.449  14.318 -2.671  1.00 25.43  ? 154 GLY A O   1 
ATOM   96  N N   . LYS A 1 31  ? -5.511  13.559 -3.636  1.00 24.16  ? 155 LYS A N   1 
ATOM   97  C CA  A LYS A 1 31  ? -5.177  12.495 -2.641  0.50 26.57  ? 155 LYS A CA  1 
ATOM   98  C CA  B LYS A 1 31  ? -5.202  12.511 -2.626  0.50 26.68  ? 155 LYS A CA  1 
ATOM   99  C C   . LYS A 1 31  ? -4.434  13.149 -1.470  1.00 28.12  ? 155 LYS A C   1 
ATOM   100 O O   . LYS A 1 31  ? -3.179  12.959 -1.387  1.00 41.79  ? 155 LYS A O   1 
ATOM   101 C CB  A LYS A 1 31  ? -4.339  11.369 -3.278  0.50 31.08  ? 155 LYS A CB  1 
ATOM   102 C CB  B LYS A 1 31  ? -4.411  11.361 -3.249  0.50 31.61  ? 155 LYS A CB  1 
ATOM   103 C CG  A LYS A 1 31  ? -4.994  10.624 -4.443  0.50 34.20  ? 155 LYS A CG  1 
ATOM   104 C CG  B LYS A 1 31  ? -4.555  10.057 -2.490  0.50 41.45  ? 155 LYS A CG  1 
ATOM   105 C CD  A LYS A 1 31  ? -4.123  9.649  -5.240  0.50 42.92  ? 155 LYS A CD  1 
ATOM   106 C CD  B LYS A 1 31  ? -3.479  9.059  -2.792  0.50 44.48  ? 155 LYS A CD  1 
ATOM   107 C CE  A LYS A 1 31  ? -2.915  10.278 -5.905  0.50 44.30  ? 155 LYS A CE  1 
ATOM   108 C CE  B LYS A 1 31  ? -3.695  7.739  -2.090  0.50 48.47  ? 155 LYS A CE  1 
ATOM   109 N NZ  A LYS A 1 31  ? -3.251  11.211 -7.017  0.50 39.17  ? 155 LYS A NZ  1 
ATOM   110 N NZ  B LYS A 1 31  ? -4.330  6.759  -3.002  0.50 51.77  ? 155 LYS A NZ  1 
ATOM   111 N N   . ILE A 1 32  ? -5.097  14.035 -0.753  1.00 28.09  ? 156 ILE A N   1 
ATOM   112 C CA  . ILE A 1 32  ? -4.667  14.505 0.586   1.00 26.97  ? 156 ILE A CA  1 
ATOM   113 C C   . ILE A 1 32  ? -5.492  13.758 1.628   1.00 28.80  ? 156 ILE A C   1 
ATOM   114 O O   . ILE A 1 32  ? -6.652  13.314 1.328   1.00 30.75  ? 156 ILE A O   1 
ATOM   115 C CB  . ILE A 1 32  ? -4.810  16.036 0.762   1.00 29.53  ? 156 ILE A CB  1 
ATOM   116 C CG1 . ILE A 1 32  ? -6.252  16.557 0.720   1.00 27.03  ? 156 ILE A CG1 1 
ATOM   117 C CG2 . ILE A 1 32  ? -3.946  16.702 -0.264  1.00 29.89  ? 156 ILE A CG2 1 
ATOM   118 C CD1 . ILE A 1 32  ? -6.398  17.916 1.419   1.00 29.68  ? 156 ILE A CD1 1 
ATOM   119 N N   . THR A 1 33  ? -4.909  13.622 2.804   1.00 27.21  ? 157 THR A N   1 
ATOM   120 C CA  . THR A 1 33  ? -5.529  12.884 3.915   1.00 30.52  ? 157 THR A CA  1 
ATOM   121 C C   . THR A 1 33  ? -6.612  13.759 4.536   1.00 28.25  ? 157 THR A C   1 
ATOM   122 O O   . THR A 1 33  ? -6.598  14.990 4.421   1.00 26.49  ? 157 THR A O   1 
ATOM   123 C CB  . THR A 1 33  ? -4.516  12.424 4.974   1.00 30.67  ? 157 THR A CB  1 
ATOM   124 O OG1 . THR A 1 33  ? -3.917  13.599 5.500   1.00 32.86  ? 157 THR A OG1 1 
ATOM   125 C CG2 . THR A 1 33  ? -3.455  11.485 4.444   1.00 34.69  ? 157 THR A CG2 1 
ATOM   126 N N   . ARG A 1 34  ? -7.520  13.127 5.259   1.00 29.74  ? 158 ARG A N   1 
ATOM   127 C CA  . ARG A 1 34  ? -8.483  13.847 6.115   1.00 25.79  ? 158 ARG A CA  1 
ATOM   128 C C   . ARG A 1 34  ? -7.685  14.727 7.101   1.00 27.76  ? 158 ARG A C   1 
ATOM   129 O O   . ARG A 1 34  ? -8.046  15.917 7.207   1.00 26.97  ? 158 ARG A O   1 
ATOM   130 C CB  . ARG A 1 34  ? -9.422  12.835 6.754   1.00 29.60  ? 158 ARG A CB  1 
ATOM   131 C CG  . ARG A 1 34  ? -10.361 13.452 7.765   1.00 32.30  ? 158 ARG A CG  1 
ATOM   132 C CD  . ARG A 1 34  ? -11.147 12.356 8.486   1.00 34.41  ? 158 ARG A CD  1 
ATOM   133 N NE  . ARG A 1 34  ? -11.978 12.906 9.563   1.00 42.79  ? 158 ARG A NE  1 
ATOM   134 C CZ  . ARG A 1 34  ? -13.319 12.876 9.620   1.00 63.21  ? 158 ARG A CZ  1 
ATOM   135 N NH1 . ARG A 1 34  ? -13.915 13.400 10.677  1.00 55.29  ? 158 ARG A NH1 1 
ATOM   136 N NH2 . ARG A 1 34  ? -14.066 12.342 8.649   1.00 47.35  ? 158 ARG A NH2 1 
ATOM   137 N N   . ARG A 1 35  ? -6.621  14.216 7.726   1.00 29.14  ? 159 ARG A N   1 
ATOM   138 C CA  . ARG A 1 35  ? -5.834  14.973 8.734   1.00 30.44  ? 159 ARG A CA  1 
ATOM   139 C C   . ARG A 1 35  ? -5.265  16.210 8.008   1.00 29.08  ? 159 ARG A C   1 
ATOM   140 O O   . ARG A 1 35  ? -5.294  17.303 8.581   1.00 29.96  ? 159 ARG A O   1 
ATOM   141 C CB  . ARG A 1 35  ? -4.741  14.124 9.399   1.00 37.78  ? 159 ARG A CB  1 
ATOM   142 C CG  . ARG A 1 35  ? -3.790  14.926 10.293  1.00 49.87  ? 159 ARG A CG  1 
ATOM   143 N N   . GLU A 1 36  ? -4.727  16.062 6.802   1.00 30.25  ? 160 GLU A N   1 
ATOM   144 C CA  . GLU A 1 36  ? -4.133  17.207 6.079   1.00 28.41  ? 160 GLU A CA  1 
ATOM   145 C C   . GLU A 1 36  ? -5.232  18.236 5.783   1.00 28.45  ? 160 GLU A C   1 
ATOM   146 O O   . GLU A 1 36  ? -4.977  19.457 5.905   1.00 30.39  ? 160 GLU A O   1 
ATOM   147 C CB  . GLU A 1 36  ? -3.426  16.725 4.806   1.00 31.39  ? 160 GLU A CB  1 
ATOM   148 C CG  . GLU A 1 36  ? -2.834  17.851 3.933   1.00 39.95  ? 160 GLU A CG  1 
ATOM   149 C CD  . GLU A 1 36  ? -1.804  18.791 4.549   1.00 44.31  ? 160 GLU A CD  1 
ATOM   150 O OE1 . GLU A 1 36  ? -1.426  18.630 5.737   1.00 50.59  ? 160 GLU A OE1 1 
ATOM   151 O OE2 . GLU A 1 36  ? -1.398  19.725 3.824   1.00 51.96  ? 160 GLU A OE2 1 
ATOM   152 N N   . SER A 1 37  ? -6.409  17.795 5.354   1.00 27.42  ? 161 SER A N   1 
ATOM   153 C CA  . SER A 1 37  ? -7.520  18.738 5.044   1.00 25.58  ? 161 SER A CA  1 
ATOM   154 C C   . SER A 1 37  ? -7.828  19.567 6.300   1.00 25.69  ? 161 SER A C   1 
ATOM   155 O O   . SER A 1 37  ? -8.126  20.784 6.155   1.00 27.94  ? 161 SER A O   1 
ATOM   156 C CB  . SER A 1 37  ? -8.710  18.025 4.446   1.00 27.54  ? 161 SER A CB  1 
ATOM   157 O OG  . SER A 1 37  ? -9.516  17.396 5.445   1.00 28.18  ? 161 SER A OG  1 
ATOM   158 N N   . GLU A 1 38  ? -7.867  18.944 7.479   1.00 26.04  ? 162 GLU A N   1 
ATOM   159 C CA  . GLU A 1 38  ? -8.214  19.633 8.746   1.00 28.04  ? 162 GLU A CA  1 
ATOM   160 C C   . GLU A 1 38  ? -7.098  20.639 9.084   1.00 29.77  ? 162 GLU A C   1 
ATOM   161 O O   . GLU A 1 38  ? -7.401  21.705 9.631   1.00 33.90  ? 162 GLU A O   1 
ATOM   162 C CB  . GLU A 1 38  ? -8.519  18.663 9.873   1.00 27.97  ? 162 GLU A CB  1 
ATOM   163 C CG  . GLU A 1 38  ? -9.712  17.810 9.568   1.00 29.07  ? 162 GLU A CG  1 
ATOM   164 C CD  . GLU A 1 38  ? -10.349 17.142 10.749  1.00 42.34  ? 162 GLU A CD  1 
ATOM   165 O OE1 . GLU A 1 38  ? -11.440 16.615 10.542  1.00 37.81  ? 162 GLU A OE1 1 
ATOM   166 O OE2 . GLU A 1 38  ? -9.743  17.141 11.841  1.00 51.78  ? 162 GLU A OE2 1 
ATOM   167 N N   . ARG A 1 39  ? -5.834  20.276 8.868   1.00 30.25  ? 163 ARG A N   1 
ATOM   168 C CA  . ARG A 1 39  ? -4.681  21.176 9.163   1.00 35.78  ? 163 ARG A CA  1 
ATOM   169 C C   . ARG A 1 39  ? -4.832  22.469 8.347   1.00 37.85  ? 163 ARG A C   1 
ATOM   170 O O   . ARG A 1 39  ? -4.636  23.572 8.906   1.00 37.76  ? 163 ARG A O   1 
ATOM   171 C CB  . ARG A 1 39  ? -3.339  20.492 8.890   1.00 36.40  ? 163 ARG A CB  1 
ATOM   172 C CG  . ARG A 1 39  ? -2.156  21.311 9.411   1.00 44.65  ? 163 ARG A CG  1 
ATOM   173 C CD  . ARG A 1 39  ? -0.821  20.847 8.864   1.00 53.33  ? 163 ARG A CD  1 
ATOM   174 N NE  . ARG A 1 39  ? -0.706  20.979 7.408   1.00 48.39  ? 163 ARG A NE  1 
ATOM   175 C CZ  . ARG A 1 39  ? -0.505  22.126 6.734   1.00 53.50  ? 163 ARG A CZ  1 
ATOM   176 N NH1 . ARG A 1 39  ? -0.436  23.303 7.356   1.00 57.78  ? 163 ARG A NH1 1 
ATOM   177 N NH2 . ARG A 1 39  ? -0.407  22.083 5.414   1.00 49.75  ? 163 ARG A NH2 1 
ATOM   178 N N   . LEU A 1 40  ? -5.191  22.346 7.074   1.00 32.70  ? 164 LEU A N   1 
ATOM   179 C CA  . LEU A 1 40  ? -5.439  23.508 6.181   1.00 33.57  ? 164 LEU A CA  1 
ATOM   180 C C   . LEU A 1 40  ? -6.650  24.307 6.682   1.00 43.88  ? 164 LEU A C   1 
ATOM   181 O O   . LEU A 1 40  ? -6.574  25.541 6.802   1.00 40.10  ? 164 LEU A O   1 
ATOM   182 C CB  . LEU A 1 40  ? -5.647  23.001 4.737   1.00 33.32  ? 164 LEU A CB  1 
ATOM   183 C CG  . LEU A 1 40  ? -4.439  22.367 4.044   1.00 35.58  ? 164 LEU A CG  1 
ATOM   184 C CD1 . LEU A 1 40  ? -4.831  21.786 2.698   1.00 44.35  ? 164 LEU A CD1 1 
ATOM   185 C CD2 . LEU A 1 40  ? -3.370  23.431 3.846   1.00 51.29  ? 164 LEU A CD2 1 
ATOM   186 N N   . LEU A 1 41  ? -7.766  23.642 6.914   1.00 28.75  ? 165 LEU A N   1 
ATOM   187 C CA  . LEU A 1 41  ? -9.064  24.332 7.086   1.00 29.75  ? 165 LEU A CA  1 
ATOM   188 C C   . LEU A 1 41  ? -9.292  24.871 8.492   1.00 35.89  ? 165 LEU A C   1 
ATOM   189 O O   . LEU A 1 41  ? -10.078 25.804 8.589   1.00 33.74  ? 165 LEU A O   1 
ATOM   190 C CB  . LEU A 1 41  ? -10.167 23.367 6.673   1.00 26.88  ? 165 LEU A CB  1 
ATOM   191 C CG  . LEU A 1 41  ? -10.132 22.959 5.211   1.00 24.21  ? 165 LEU A CG  1 
ATOM   192 C CD1 . LEU A 1 41  ? -11.172 21.880 5.014   1.00 26.30  ? 165 LEU A CD1 1 
ATOM   193 C CD2 . LEU A 1 41  ? -10.421 24.127 4.275   1.00 28.92  ? 165 LEU A CD2 1 
ATOM   194 N N   . LEU A 1 42  ? -8.654  24.348 9.541   1.00 33.39  ? 166 LEU A N   1 
ATOM   195 C CA  . LEU A 1 42  ? -8.841  24.817 10.951  1.00 37.01  ? 166 LEU A CA  1 
ATOM   196 C C   . LEU A 1 42  ? -8.111  26.148 11.218  1.00 35.80  ? 166 LEU A C   1 
ATOM   197 O O   . LEU A 1 42  ? -8.263  26.673 12.354  1.00 37.27  ? 166 LEU A O   1 
ATOM   198 C CB  . LEU A 1 42  ? -8.386  23.738 11.939  1.00 39.04  ? 166 LEU A CB  1 
ATOM   199 C CG  . LEU A 1 42  ? -9.365  22.586 12.101  1.00 41.88  ? 166 LEU A CG  1 
ATOM   200 C CD1 . LEU A 1 42  ? -8.795  21.486 12.956  1.00 41.52  ? 166 LEU A CD1 1 
ATOM   201 C CD2 . LEU A 1 42  ? -10.670 23.076 12.689  1.00 40.74  ? 166 LEU A CD2 1 
ATOM   202 N N   . ASN A 1 43  ? -7.411  26.722 10.234  1.00 39.95  ? 167 ASN A N   1 
ATOM   203 C CA  . ASN A 1 43  ? -6.782  28.069 10.359  1.00 43.54  ? 167 ASN A CA  1 
ATOM   204 C C   . ASN A 1 43  ? -7.863  29.081 10.812  1.00 41.87  ? 167 ASN A C   1 
ATOM   205 O O   . ASN A 1 43  ? -8.876  29.191 10.123  1.00 35.29  ? 167 ASN A O   1 
ATOM   206 C CB  . ASN A 1 43  ? -6.110  28.473 9.040   1.00 45.53  ? 167 ASN A CB  1 
ATOM   207 C CG  . ASN A 1 43  ? -5.304  29.751 9.124   1.00 54.91  ? 167 ASN A CG  1 
ATOM   208 O OD1 . ASN A 1 43  ? -5.552  30.573 9.994   1.00 45.92  ? 167 ASN A OD1 1 
ATOM   209 N ND2 . ASN A 1 43  ? -4.340  29.923 8.228   1.00 64.52  ? 167 ASN A ND2 1 
ATOM   210 N N   . ALA A 1 44  ? -7.684  29.799 11.937  1.00 37.52  ? 168 ALA A N   1 
ATOM   211 C CA  . ALA A 1 44  ? -8.683  30.768 12.457  1.00 32.55  ? 168 ALA A CA  1 
ATOM   212 C C   . ALA A 1 44  ? -8.846  31.953 11.488  1.00 30.44  ? 168 ALA A C   1 
ATOM   213 O O   . ALA A 1 44  ? -9.861  32.669 11.635  1.00 34.69  ? 168 ALA A O   1 
ATOM   214 C CB  . ALA A 1 44  ? -8.298  31.253 13.828  1.00 37.54  ? 168 ALA A CB  1 
ATOM   215 N N   . GLU A 1 45  ? -7.871  32.196 10.580  1.00 34.30  ? 169 GLU A N   1 
ATOM   216 C CA  . GLU A 1 45  ? -7.997  33.256 9.552   1.00 36.21  ? 169 GLU A CA  1 
ATOM   217 C C   . GLU A 1 45  ? -9.084  32.898 8.523   1.00 38.65  ? 169 GLU A C   1 
ATOM   218 O O   . GLU A 1 45  ? -9.596  33.811 7.862   1.00 36.74  ? 169 GLU A O   1 
ATOM   219 C CB  . GLU A 1 45  ? -6.657  33.497 8.873   1.00 44.94  ? 169 GLU A CB  1 
ATOM   220 C CG  . GLU A 1 45  ? -5.732  34.333 9.737   1.00 60.84  ? 169 GLU A CG  1 
ATOM   221 C CD  . GLU A 1 45  ? -4.431  34.725 9.076   1.00 64.75  ? 169 GLU A CD  1 
ATOM   222 O OE1 . GLU A 1 45  ? -4.438  34.981 7.858   1.00 90.31  ? 169 GLU A OE1 1 
ATOM   223 O OE2 . GLU A 1 45  ? -3.424  34.773 9.786   1.00 81.87  ? 169 GLU A OE2 1 
ATOM   224 N N   . ASN A 1 46  ? -9.421  31.622 8.344   1.00 31.17  ? 170 ASN A N   1 
ATOM   225 C CA  . ASN A 1 46  ? -10.270 31.222 7.212   1.00 29.20  ? 170 ASN A CA  1 
ATOM   226 C C   . ASN A 1 46  ? -11.703 31.637 7.516   1.00 31.30  ? 170 ASN A C   1 
ATOM   227 O O   . ASN A 1 46  ? -12.235 31.338 8.601   1.00 30.86  ? 170 ASN A O   1 
ATOM   228 C CB  . ASN A 1 46  ? -10.232 29.717 6.957   1.00 31.79  ? 170 ASN A CB  1 
ATOM   229 C CG  . ASN A 1 46  ? -8.929  29.196 6.363   1.00 29.05  ? 170 ASN A CG  1 
ATOM   230 O OD1 . ASN A 1 46  ? -8.219  29.906 5.645   1.00 37.31  ? 170 ASN A OD1 1 
ATOM   231 N ND2 . ASN A 1 46  ? -8.682  27.898 6.558   1.00 39.23  ? 170 ASN A ND2 1 
ATOM   232 N N   . PRO A 1 47  ? -12.398 32.270 6.547   1.00 29.36  ? 171 PRO A N   1 
ATOM   233 C CA  . PRO A 1 47  ? -13.822 32.519 6.719   1.00 30.04  ? 171 PRO A CA  1 
ATOM   234 C C   . PRO A 1 47  ? -14.512 31.175 6.949   1.00 30.47  ? 171 PRO A C   1 
ATOM   235 O O   . PRO A 1 47  ? -14.112 30.160 6.399   1.00 29.48  ? 171 PRO A O   1 
ATOM   236 C CB  . PRO A 1 47  ? -14.217 33.160 5.396   1.00 27.82  ? 171 PRO A CB  1 
ATOM   237 C CG  . PRO A 1 47  ? -12.933 33.836 4.929   1.00 32.28  ? 171 PRO A CG  1 
ATOM   238 C CD  . PRO A 1 47  ? -11.900 32.783 5.252   1.00 30.20  ? 171 PRO A CD  1 
ATOM   239 N N   . ARG A 1 48  ? -15.586 31.187 7.705   1.00 28.87  ? 172 ARG A N   1 
ATOM   240 C CA  . ARG A 1 48  ? -16.497 30.022 7.744   1.00 26.11  ? 172 ARG A CA  1 
ATOM   241 C C   . ARG A 1 48  ? -16.877 29.628 6.304   1.00 28.44  ? 172 ARG A C   1 
ATOM   242 O O   . ARG A 1 48  ? -17.227 30.521 5.486   1.00 27.91  ? 172 ARG A O   1 
ATOM   243 C CB  . ARG A 1 48  ? -17.717 30.353 8.578   1.00 30.29  ? 172 ARG A CB  1 
ATOM   244 C CG  . ARG A 1 48  ? -18.587 29.155 8.840   1.00 34.41  ? 172 ARG A CG  1 
ATOM   245 C CD  . ARG A 1 48  ? -19.592 29.378 9.929   1.00 36.64  ? 172 ARG A CD  1 
ATOM   246 N NE  . ARG A 1 48  ? -20.303 28.117 10.144  1.00 30.05  ? 172 ARG A NE  1 
ATOM   247 C CZ  . ARG A 1 48  ? -21.479 28.054 10.775  1.00 33.59  ? 172 ARG A CZ  1 
ATOM   248 N NH1 . ARG A 1 48  ? -22.046 29.151 11.243  1.00 38.12  ? 172 ARG A NH1 1 
ATOM   249 N NH2 . ARG A 1 48  ? -22.050 26.882 10.951  1.00 39.40  ? 172 ARG A NH2 1 
ATOM   250 N N   . GLY A 1 49  ? -16.870 28.317 5.996   1.00 27.38  ? 173 GLY A N   1 
ATOM   251 C CA  . GLY A 1 49  ? -17.172 27.823 4.639   1.00 27.60  ? 173 GLY A CA  1 
ATOM   252 C C   . GLY A 1 49  ? -15.961 27.819 3.712   1.00 24.15  ? 173 GLY A C   1 
ATOM   253 O O   . GLY A 1 49  ? -16.117 27.719 2.487   1.00 26.23  ? 173 GLY A O   1 
ATOM   254 N N   . THR A 1 50  ? -14.766 27.872 4.291   1.00 23.90  ? 174 THR A N   1 
ATOM   255 C CA  . THR A 1 50  ? -13.524 27.645 3.522   1.00 25.79  ? 174 THR A CA  1 
ATOM   256 C C   . THR A 1 50  ? -13.502 26.144 3.161   1.00 22.99  ? 174 THR A C   1 
ATOM   257 O O   . THR A 1 50  ? -13.789 25.348 4.049   1.00 24.61  ? 174 THR A O   1 
ATOM   258 C CB  . THR A 1 50  ? -12.272 28.105 4.264   1.00 27.24  ? 174 THR A CB  1 
ATOM   259 O OG1 . THR A 1 50  ? -12.428 29.515 4.481   1.00 27.49  ? 174 THR A OG1 1 
ATOM   260 C CG2 . THR A 1 50  ? -11.012 27.845 3.465   1.00 25.61  ? 174 THR A CG2 1 
ATOM   261 N N   . PHE A 1 51  ? -13.172 25.771 1.925   1.00 23.49  ? 175 PHE A N   1 
ATOM   262 C CA  . PHE A 1 51  ? -13.435 24.403 1.486   1.00 22.63  ? 175 PHE A CA  1 
ATOM   263 C C   . PHE A 1 51  ? -12.376 23.904 0.523   1.00 21.61  ? 175 PHE A C   1 
ATOM   264 O O   . PHE A 1 51  ? -11.639 24.660 -0.153  1.00 21.96  ? 175 PHE A O   1 
ATOM   265 C CB  . PHE A 1 51  ? -14.838 24.272 0.881   1.00 21.23  ? 175 PHE A CB  1 
ATOM   266 C CG  . PHE A 1 51  ? -14.955 24.836 -0.514  1.00 21.67  ? 175 PHE A CG  1 
ATOM   267 C CD1 . PHE A 1 51  ? -15.104 26.205 -0.719  1.00 23.60  ? 175 PHE A CD1 1 
ATOM   268 C CD2 . PHE A 1 51  ? -14.814 24.022 -1.632  1.00 21.63  ? 175 PHE A CD2 1 
ATOM   269 C CE1 . PHE A 1 51  ? -15.167 26.723 -1.993  1.00 23.37  ? 175 PHE A CE1 1 
ATOM   270 C CE2 . PHE A 1 51  ? -14.846 24.552 -2.904  1.00 22.58  ? 175 PHE A CE2 1 
ATOM   271 C CZ  . PHE A 1 51  ? -15.060 25.906 -3.078  1.00 23.91  ? 175 PHE A CZ  1 
ATOM   272 N N   . LEU A 1 52  ? -12.366 22.565 0.436   1.00 21.35  ? 176 LEU A N   1 
ATOM   273 C CA  . LEU A 1 52  ? -11.635 21.833 -0.618  1.00 20.32  ? 176 LEU A CA  1 
ATOM   274 C C   . LEU A 1 52  ? -12.394 20.531 -0.927  1.00 19.95  ? 176 LEU A C   1 
ATOM   275 O O   . LEU A 1 52  ? -13.226 20.113 -0.123  1.00 20.85  ? 176 LEU A O   1 
ATOM   276 C CB  . LEU A 1 52  ? -10.169 21.612 -0.223  1.00 20.20  ? 176 LEU A CB  1 
ATOM   277 C CG  . LEU A 1 52  ? -9.919  20.805 1.054   1.00 20.60  ? 176 LEU A CG  1 
ATOM   278 C CD1 . LEU A 1 52  ? -10.003 19.290 0.829   1.00 22.00  ? 176 LEU A CD1 1 
ATOM   279 C CD2 . LEU A 1 52  ? -8.571  21.151 1.643   1.00 25.10  ? 176 LEU A CD2 1 
ATOM   280 N N   . VAL A 1 53  ? -12.077 19.962 -2.069  1.00 20.60  ? 177 VAL A N   1 
ATOM   281 C CA  . VAL A 1 53  ? -12.569 18.621 -2.465  1.00 18.99  ? 177 VAL A CA  1 
ATOM   282 C C   . VAL A 1 53  ? -11.326 17.721 -2.570  1.00 20.12  ? 177 VAL A C   1 
ATOM   283 O O   . VAL A 1 53  ? -10.288 18.136 -3.141  1.00 20.71  ? 177 VAL A O   1 
ATOM   284 C CB  . VAL A 1 53  ? -13.357 18.718 -3.776  1.00 20.21  ? 177 VAL A CB  1 
ATOM   285 C CG1 . VAL A 1 53  ? -13.801 17.355 -4.256  1.00 23.04  ? 177 VAL A CG1 1 
ATOM   286 C CG2 . VAL A 1 53  ? -14.573 19.611 -3.623  1.00 21.13  ? 177 VAL A CG2 1 
ATOM   287 N N   . ARG A 1 54  ? -11.437 16.522 -2.027  1.00 20.60  ? 178 ARG A N   1 
ATOM   288 C CA  . ARG A 1 54  ? -10.352 15.518 -1.993  1.00 20.91  ? 178 ARG A CA  1 
ATOM   289 C C   . ARG A 1 54  ? -10.952 14.160 -2.395  1.00 20.91  ? 178 ARG A C   1 
ATOM   290 O O   . ARG A 1 54  ? -12.194 13.966 -2.336  1.00 22.09  ? 178 ARG A O   1 
ATOM   291 C CB  . ARG A 1 54  ? -9.700  15.544 -0.615  1.00 21.96  ? 178 ARG A CB  1 
ATOM   292 C CG  . ARG A 1 54  ? -10.622 15.213 0.531   1.00 22.77  ? 178 ARG A CG  1 
ATOM   293 C CD  . ARG A 1 54  ? -9.908  15.371 1.861   1.00 22.23  ? 178 ARG A CD  1 
ATOM   294 N NE  . ARG A 1 54  ? -10.824 15.248 2.973   1.00 23.40  ? 178 ARG A NE  1 
ATOM   295 C CZ  . ARG A 1 54  ? -11.313 14.091 3.444   1.00 23.11  ? 178 ARG A CZ  1 
ATOM   296 N NH1 . ARG A 1 54  ? -12.186 14.091 4.424   1.00 25.13  ? 178 ARG A NH1 1 
ATOM   297 N NH2 . ARG A 1 54  ? -10.823 12.941 3.020   1.00 25.13  ? 178 ARG A NH2 1 
ATOM   298 N N   . GLU A 1 55  ? -10.087 13.223 -2.765  1.00 20.84  ? 179 GLU A N   1 
ATOM   299 C CA  . GLU A 1 55  ? -10.513 11.836 -2.935  1.00 22.41  ? 179 GLU A CA  1 
ATOM   300 C C   . GLU A 1 55  ? -10.972 11.326 -1.564  1.00 24.26  ? 179 GLU A C   1 
ATOM   301 O O   . GLU A 1 55  ? -10.326 11.580 -0.534  1.00 28.58  ? 179 GLU A O   1 
ATOM   302 C CB  . GLU A 1 55  ? -9.375  11.012 -3.492  1.00 26.07  ? 179 GLU A CB  1 
ATOM   303 C CG  . GLU A 1 55  ? -9.048  11.362 -4.907  1.00 30.08  ? 179 GLU A CG  1 
ATOM   304 C CD  . GLU A 1 55  ? -8.100  10.349 -5.551  1.00 38.17  ? 179 GLU A CD  1 
ATOM   305 O OE1 . GLU A 1 55  ? -7.838  10.490 -6.736  1.00 43.34  ? 179 GLU A OE1 1 
ATOM   306 O OE2 . GLU A 1 55  ? -7.736  9.334  -4.872  1.00 41.77  ? 179 GLU A OE2 1 
ATOM   307 N N   . SER A 1 56  ? -12.016 10.503 -1.551  1.00 22.52  ? 180 SER A N   1 
ATOM   308 C CA  . SER A 1 56  ? -12.462 9.866  -0.299  1.00 23.58  ? 180 SER A CA  1 
ATOM   309 C C   . SER A 1 56  ? -11.463 8.781  0.124   1.00 24.23  ? 180 SER A C   1 
ATOM   310 O O   . SER A 1 56  ? -11.160 7.893  -0.711  1.00 26.69  ? 180 SER A O   1 
ATOM   311 C CB  . SER A 1 56  ? -13.823 9.246  -0.471  1.00 22.24  ? 180 SER A CB  1 
ATOM   312 O OG  . SER A 1 56  ? -14.200 8.594  0.749   1.00 23.54  ? 180 SER A OG  1 
ATOM   313 N N   . GLU A 1 57  ? -11.098 8.804  1.392   1.00 26.29  ? 181 GLU A N   1 
ATOM   314 C CA  . GLU A 1 57  ? -10.250 7.794  2.056   1.00 29.91  ? 181 GLU A CA  1 
ATOM   315 C C   . GLU A 1 57  ? -11.136 6.601  2.490   1.00 28.08  ? 181 GLU A C   1 
ATOM   316 O O   . GLU A 1 57  ? -10.590 5.488  2.769   1.00 31.99  ? 181 GLU A O   1 
ATOM   317 C CB  . GLU A 1 57  ? -9.457  8.461  3.195   1.00 33.65  ? 181 GLU A CB  1 
ATOM   318 C CG  . GLU A 1 57  ? -10.258 8.635  4.482   1.00 36.74  ? 181 GLU A CG  1 
ATOM   319 C CD  . GLU A 1 57  ? -11.345 9.702  4.607   1.00 34.19  ? 181 GLU A CD  1 
ATOM   320 O OE1 . GLU A 1 57  ? -11.792 9.907  5.765   1.00 41.39  ? 181 GLU A OE1 1 
ATOM   321 O OE2 . GLU A 1 57  ? -11.739 10.341 3.592   1.00 35.85  ? 181 GLU A OE2 1 
ATOM   322 N N   . THR A 1 58  ? -12.473 6.765  2.482   1.00 26.73  ? 182 THR A N   1 
ATOM   323 C CA  . THR A 1 58  ? -13.393 5.697  3.004   1.00 27.26  ? 182 THR A CA  1 
ATOM   324 C C   . THR A 1 58  ? -14.044 4.912  1.846   1.00 28.34  ? 182 THR A C   1 
ATOM   325 O O   . THR A 1 58  ? -14.134 3.689  1.928   1.00 25.86  ? 182 THR A O   1 
ATOM   326 C CB  . THR A 1 58  ? -14.449 6.279  3.967   1.00 29.68  ? 182 THR A CB  1 
ATOM   327 O OG1 . THR A 1 58  ? -15.238 7.244  3.262   1.00 30.11  ? 182 THR A OG1 1 
ATOM   328 C CG2 . THR A 1 58  ? -13.863 6.871  5.229   1.00 35.06  ? 182 THR A CG2 1 
ATOM   329 N N   . VAL A 1 59  ? -14.522 5.593  0.806   1.00 26.17  ? 183 VAL A N   1 
ATOM   330 C CA  . VAL A 1 59  ? -15.275 5.006  -0.328  1.00 24.27  ? 183 VAL A CA  1 
ATOM   331 C C   . VAL A 1 59  ? -14.499 5.213  -1.631  1.00 25.37  ? 183 VAL A C   1 
ATOM   332 O O   . VAL A 1 59  ? -14.313 6.358  -2.045  1.00 25.39  ? 183 VAL A O   1 
ATOM   333 C CB  . VAL A 1 59  ? -16.726 5.535  -0.377  1.00 26.64  ? 183 VAL A CB  1 
ATOM   334 C CG1 . VAL A 1 59  ? -17.479 5.022  -1.592  1.00 26.09  ? 183 VAL A CG1 1 
ATOM   335 C CG2 . VAL A 1 59  ? -17.490 5.195  0.892   1.00 25.73  ? 183 VAL A CG2 1 
ATOM   336 N N   . LYS A 1 60  ? -13.916 4.138  -2.182  1.00 29.73  ? 184 LYS A N   1 
ATOM   337 C CA  . LYS A 1 60  ? -13.092 4.190  -3.403  1.00 29.32  ? 184 LYS A CA  1 
ATOM   338 C C   . LYS A 1 60  ? -13.897 4.842  -4.521  1.00 28.94  ? 184 LYS A C   1 
ATOM   339 O O   . LYS A 1 60  ? -14.975 4.285  -4.923  1.00 32.38  ? 184 LYS A O   1 
ATOM   340 C CB  . LYS A 1 60  ? -12.527 2.807  -3.818  1.00 34.20  ? 184 LYS A CB  1 
ATOM   341 C CG  . LYS A 1 60  ? -11.547 2.884  -4.983  1.00 46.65  ? 184 LYS A CG  1 
ATOM   342 N N   . GLY A 1 61  ? -13.320 5.908  -5.085  1.00 26.11  ? 185 GLY A N   1 
ATOM   343 C CA  . GLY A 1 61  ? -13.913 6.594  -6.238  1.00 28.77  ? 185 GLY A CA  1 
ATOM   344 C C   . GLY A 1 61  ? -14.815 7.740  -5.830  1.00 28.96  ? 185 GLY A C   1 
ATOM   345 O O   . GLY A 1 61  ? -15.143 8.493  -6.710  1.00 28.56  ? 185 GLY A O   1 
ATOM   346 N N   . ALA A 1 62  ? -15.195 7.819  -4.553  1.00 24.04  ? 186 ALA A N   1 
ATOM   347 C CA  . ALA A 1 62  ? -16.013 8.933  -4.052  1.00 22.89  ? 186 ALA A CA  1 
ATOM   348 C C   . ALA A 1 62  ? -15.075 10.088 -3.774  1.00 22.03  ? 186 ALA A C   1 
ATOM   349 O O   . ALA A 1 62  ? -13.840 9.895  -3.736  1.00 22.88  ? 186 ALA A O   1 
ATOM   350 C CB  . ALA A 1 62  ? -16.794 8.564  -2.821  1.00 23.11  ? 186 ALA A CB  1 
ATOM   351 N N   . TYR A 1 63  ? -15.648 11.222 -3.459  1.00 22.71  ? 187 TYR A N   1 
ATOM   352 C CA  . TYR A 1 63  ? -14.897 12.432 -3.056  1.00 20.65  ? 187 TYR A CA  1 
ATOM   353 C C   . TYR A 1 63  ? -15.442 12.893 -1.707  1.00 21.86  ? 187 TYR A C   1 
ATOM   354 O O   . TYR A 1 63  ? -16.468 12.426 -1.238  1.00 24.16  ? 187 TYR A O   1 
ATOM   355 C CB  . TYR A 1 63  ? -15.018 13.506 -4.127  1.00 21.00  ? 187 TYR A CB  1 
ATOM   356 C CG  . TYR A 1 63  ? -14.423 13.127 -5.449  1.00 22.61  ? 187 TYR A CG  1 
ATOM   357 C CD1 . TYR A 1 63  ? -13.061 13.305 -5.695  1.00 23.06  ? 187 TYR A CD1 1 
ATOM   358 C CD2 . TYR A 1 63  ? -15.167 12.445 -6.397  1.00 24.90  ? 187 TYR A CD2 1 
ATOM   359 C CE1 . TYR A 1 63  ? -12.496 12.882 -6.884  1.00 25.42  ? 187 TYR A CE1 1 
ATOM   360 C CE2 . TYR A 1 63  ? -14.606 12.038 -7.594  1.00 29.47  ? 187 TYR A CE2 1 
ATOM   361 C CZ  . TYR A 1 63  ? -13.267 12.262 -7.845  1.00 28.04  ? 187 TYR A CZ  1 
ATOM   362 O OH  . TYR A 1 63  ? -12.671 11.837 -9.003  1.00 34.51  ? 187 TYR A OH  1 
ATOM   363 N N   . ALA A 1 64  ? -14.662 13.705 -1.033  1.00 23.43  ? 188 ALA A N   1 
ATOM   364 C CA  . ALA A 1 64  ? -15.053 14.360 0.210   1.00 23.45  ? 188 ALA A CA  1 
ATOM   365 C C   . ALA A 1 64  ? -14.986 15.866 -0.032  1.00 20.04  ? 188 ALA A C   1 
ATOM   366 O O   . ALA A 1 64  ? -13.982 16.390 -0.549  1.00 21.81  ? 188 ALA A O   1 
ATOM   367 C CB  . ALA A 1 64  ? -14.196 13.941 1.364   1.00 23.34  ? 188 ALA A CB  1 
ATOM   368 N N   . LEU A 1 65  ? -16.035 16.556 0.390   1.00 20.48  ? 189 LEU A N   1 
ATOM   369 C CA  . LEU A 1 65  ? -16.098 18.025 0.482   1.00 20.17  ? 189 LEU A CA  1 
ATOM   370 C C   . LEU A 1 65  ? -15.796 18.355 1.936   1.00 18.78  ? 189 LEU A C   1 
ATOM   371 O O   . LEU A 1 65  ? -16.606 18.015 2.816   1.00 22.61  ? 189 LEU A O   1 
ATOM   372 C CB  . LEU A 1 65  ? -17.487 18.497 0.051   1.00 21.48  ? 189 LEU A CB  1 
ATOM   373 C CG  . LEU A 1 65  ? -17.802 19.991 0.198   1.00 22.64  ? 189 LEU A CG  1 
ATOM   374 C CD1 . LEU A 1 65  ? -16.826 20.801 -0.662  1.00 21.64  ? 189 LEU A CD1 1 
ATOM   375 C CD2 . LEU A 1 65  ? -19.238 20.287 -0.233  1.00 24.74  ? 189 LEU A CD2 1 
ATOM   376 N N   . SER A 1 66  ? -14.660 18.997 2.171   1.00 19.46  ? 190 SER A N   1 
ATOM   377 C CA  . SER A 1 66  ? -14.196 19.340 3.515   1.00 20.28  ? 190 SER A CA  1 
ATOM   378 C C   . SER A 1 66  ? -14.334 20.872 3.700   1.00 21.63  ? 190 SER A C   1 
ATOM   379 O O   . SER A 1 66  ? -13.867 21.627 2.834   1.00 22.09  ? 190 SER A O   1 
ATOM   380 C CB  . SER A 1 66  ? -12.769 18.852 3.724   1.00 21.77  ? 190 SER A CB  1 
ATOM   381 O OG  . SER A 1 66  ? -12.677 17.437 3.641   1.00 22.10  ? 190 SER A OG  1 
ATOM   382 N N   . VAL A 1 67  ? -14.950 21.307 4.775   1.00 22.88  ? 191 VAL A N   1 
ATOM   383 C CA  . VAL A 1 67  ? -15.425 22.712 4.884   1.00 22.74  ? 191 VAL A CA  1 
ATOM   384 C C   . VAL A 1 67  ? -15.206 23.193 6.318   1.00 24.04  ? 191 VAL A C   1 
ATOM   385 O O   . VAL A 1 67  ? -15.661 22.556 7.280   1.00 26.41  ? 191 VAL A O   1 
ATOM   386 C CB  . VAL A 1 67  ? -16.922 22.828 4.538   1.00 23.90  ? 191 VAL A CB  1 
ATOM   387 C CG1 . VAL A 1 67  ? -17.333 24.279 4.422   1.00 25.24  ? 191 VAL A CG1 1 
ATOM   388 C CG2 . VAL A 1 67  ? -17.308 22.051 3.288   1.00 25.48  ? 191 VAL A CG2 1 
ATOM   389 N N   . SER A 1 68  ? -14.491 24.306 6.482   1.00 26.15  ? 192 SER A N   1 
ATOM   390 C CA  . SER A 1 68  ? -14.366 24.959 7.805   1.00 25.20  ? 192 SER A CA  1 
ATOM   391 C C   . SER A 1 68  ? -15.761 25.376 8.324   1.00 26.05  ? 192 SER A C   1 
ATOM   392 O O   . SER A 1 68  ? -16.647 25.861 7.555   1.00 27.10  ? 192 SER A O   1 
ATOM   393 C CB  . SER A 1 68  ? -13.388 26.098 7.758   1.00 29.25  ? 192 SER A CB  1 
ATOM   394 O OG  . SER A 1 68  ? -13.986 27.239 7.139   1.00 26.00  ? 192 SER A OG  1 
ATOM   395 N N   . ASP A 1 69  ? -15.912 25.259 9.624   1.00 27.52  ? 193 ASP A N   1 
ATOM   396 C CA  . ASP A 1 69  ? -17.179 25.549 10.308  1.00 27.87  ? 193 ASP A CA  1 
ATOM   397 C C   . ASP A 1 69  ? -16.936 26.148 11.696  1.00 24.91  ? 193 ASP A C   1 
ATOM   398 O O   . ASP A 1 69  ? -15.855 26.037 12.242  1.00 27.69  ? 193 ASP A O   1 
ATOM   399 C CB  . ASP A 1 69  ? -17.939 24.241 10.410  1.00 29.31  ? 193 ASP A CB  1 
ATOM   400 C CG  . ASP A 1 69  ? -19.369 24.421 10.830  1.00 34.37  ? 193 ASP A CG  1 
ATOM   401 O OD1 . ASP A 1 69  ? -20.053 25.144 10.095  1.00 34.41  ? 193 ASP A OD1 1 
ATOM   402 O OD2 . ASP A 1 69  ? -19.702 23.955 11.979  1.00 36.33  ? 193 ASP A OD2 1 
ATOM   403 N N   . PHE A 1 70  ? -17.959 26.816 12.226  1.00 28.70  ? 194 PHE A N   1 
ATOM   404 C CA  . PHE A 1 70  ? -17.993 27.303 13.615  1.00 29.57  ? 194 PHE A CA  1 
ATOM   405 C C   . PHE A 1 70  ? -19.292 26.779 14.228  1.00 32.80  ? 194 PHE A C   1 
ATOM   406 O O   . PHE A 1 70  ? -20.372 27.180 13.787  1.00 32.84  ? 194 PHE A O   1 
ATOM   407 C CB  . PHE A 1 70  ? -17.872 28.828 13.739  1.00 29.13  ? 194 PHE A CB  1 
ATOM   408 C CG  . PHE A 1 70  ? -17.557 29.228 15.157  1.00 28.42  ? 194 PHE A CG  1 
ATOM   409 C CD1 . PHE A 1 70  ? -16.252 29.294 15.604  1.00 27.68  ? 194 PHE A CD1 1 
ATOM   410 C CD2 . PHE A 1 70  ? -18.571 29.484 16.068  1.00 29.58  ? 194 PHE A CD2 1 
ATOM   411 C CE1 . PHE A 1 70  ? -15.956 29.644 16.902  1.00 29.00  ? 194 PHE A CE1 1 
ATOM   412 C CE2 . PHE A 1 70  ? -18.259 29.819 17.377  1.00 28.97  ? 194 PHE A CE2 1 
ATOM   413 C CZ  . PHE A 1 70  ? -16.963 29.903 17.789  1.00 30.64  ? 194 PHE A CZ  1 
ATOM   414 N N   . ASP A 1 71  ? -19.152 25.851 15.184  1.00 30.40  ? 195 ASP A N   1 
ATOM   415 C CA  . ASP A 1 71  ? -20.274 25.149 15.838  1.00 29.77  ? 195 ASP A CA  1 
ATOM   416 C C   . ASP A 1 71  ? -20.593 25.826 17.171  1.00 30.08  ? 195 ASP A C   1 
ATOM   417 O O   . ASP A 1 71  ? -19.657 26.169 17.925  1.00 28.53  ? 195 ASP A O   1 
ATOM   418 C CB  . ASP A 1 71  ? -19.932 23.675 16.090  1.00 35.69  ? 195 ASP A CB  1 
ATOM   419 C CG  . ASP A 1 71  ? -21.117 22.864 16.613  1.00 40.23  ? 195 ASP A CG  1 
ATOM   420 O OD1 . ASP A 1 71  ? -22.019 22.582 15.785  1.00 42.84  ? 195 ASP A OD1 1 
ATOM   421 O OD2 . ASP A 1 71  ? -21.160 22.589 17.843  1.00 38.33  ? 195 ASP A OD2 1 
ATOM   422 N N   . ASN A 1 72  ? -21.877 25.898 17.517  1.00 28.38  ? 196 ASN A N   1 
ATOM   423 C CA  . ASN A 1 72  ? -22.298 26.522 18.783  1.00 28.88  ? 196 ASN A CA  1 
ATOM   424 C C   . ASN A 1 72  ? -21.690 25.840 20.008  1.00 30.87  ? 196 ASN A C   1 
ATOM   425 O O   . ASN A 1 72  ? -21.476 26.547 21.016  1.00 33.53  ? 196 ASN A O   1 
ATOM   426 C CB  . ASN A 1 72  ? -23.810 26.584 18.875  1.00 29.61  ? 196 ASN A CB  1 
ATOM   427 C CG  . ASN A 1 72  ? -24.447 27.590 17.953  1.00 34.43  ? 196 ASN A CG  1 
ATOM   428 O OD1 . ASN A 1 72  ? -23.774 28.290 17.191  1.00 35.26  ? 196 ASN A OD1 1 
ATOM   429 N ND2 . ASN A 1 72  ? -25.770 27.639 18.019  1.00 50.47  ? 196 ASN A ND2 1 
ATOM   430 N N   . ALA A 1 73  ? -21.478 24.507 20.003  1.00 32.84  ? 197 ALA A N   1 
ATOM   431 C CA  . ALA A 1 73  ? -20.886 23.816 21.179  1.00 33.80  ? 197 ALA A CA  1 
ATOM   432 C C   . ALA A 1 73  ? -19.387 23.507 20.980  1.00 34.75  ? 197 ALA A C   1 
ATOM   433 O O   . ALA A 1 73  ? -18.632 23.541 22.004  1.00 34.94  ? 197 ALA A O   1 
ATOM   434 C CB  . ALA A 1 73  ? -21.666 22.570 21.440  1.00 42.25  ? 197 ALA A CB  1 
ATOM   435 N N   . LYS A 1 74  ? -18.941 23.237 19.751  1.00 37.00  ? 198 LYS A N   1 
ATOM   436 C CA  . LYS A 1 74  ? -17.601 22.626 19.511  1.00 35.57  ? 198 LYS A CA  1 
ATOM   437 C C   . LYS A 1 74  ? -16.637 23.695 18.971  1.00 32.63  ? 198 LYS A C   1 
ATOM   438 O O   . LYS A 1 74  ? -15.404 23.463 18.930  1.00 33.79  ? 198 LYS A O   1 
ATOM   439 C CB  . LYS A 1 74  ? -17.745 21.414 18.575  1.00 47.63  ? 198 LYS A CB  1 
ATOM   440 C CG  . LYS A 1 74  ? -18.580 20.237 19.097  1.00 61.25  ? 198 LYS A CG  1 
ATOM   441 C CD  . LYS A 1 74  ? -18.772 19.123 18.072  1.00 62.89  ? 198 LYS A CD  1 
ATOM   442 N N   . GLY A 1 75  ? -17.137 24.887 18.631  1.00 30.79  ? 199 GLY A N   1 
ATOM   443 C CA  . GLY A 1 75  ? -16.257 25.926 18.060  1.00 28.32  ? 199 GLY A CA  1 
ATOM   444 C C   . GLY A 1 75  ? -15.733 25.594 16.676  1.00 27.23  ? 199 GLY A C   1 
ATOM   445 O O   . GLY A 1 75  ? -16.486 25.017 15.852  1.00 29.45  ? 199 GLY A O   1 
ATOM   446 N N   . LEU A 1 76  ? -14.492 25.968 16.366  1.00 27.88  ? 200 LEU A N   1 
ATOM   447 C CA  . LEU A 1 76  ? -13.921 25.696 15.031  1.00 29.24  ? 200 LEU A CA  1 
ATOM   448 C C   . LEU A 1 76  ? -13.853 24.190 14.838  1.00 27.99  ? 200 LEU A C   1 
ATOM   449 O O   . LEU A 1 76  ? -13.282 23.471 15.676  1.00 32.33  ? 200 LEU A O   1 
ATOM   450 C CB  . LEU A 1 76  ? -12.518 26.254 14.899  1.00 39.98  ? 200 LEU A CB  1 
ATOM   451 C CG  . LEU A 1 76  ? -12.396 27.747 14.744  1.00 37.57  ? 200 LEU A CG  1 
ATOM   452 C CD1 . LEU A 1 76  ? -10.924 28.086 14.781  1.00 39.91  ? 200 LEU A CD1 1 
ATOM   453 C CD2 . LEU A 1 76  ? -13.090 28.250 13.462  1.00 32.10  ? 200 LEU A CD2 1 
ATOM   454 N N   . ASN A 1 77  ? -14.305 23.772 13.669  1.00 27.51  ? 201 ASN A N   1 
ATOM   455 C CA  . ASN A 1 77  ? -14.290 22.347 13.282  1.00 29.00  ? 201 ASN A CA  1 
ATOM   456 C C   . ASN A 1 77  ? -14.322 22.256 11.760  1.00 28.67  ? 201 ASN A C   1 
ATOM   457 O O   . ASN A 1 77  ? -14.575 23.258 11.062  1.00 30.43  ? 201 ASN A O   1 
ATOM   458 C CB  . ASN A 1 77  ? -15.440 21.590 13.946  1.00 34.78  ? 201 ASN A CB  1 
ATOM   459 C CG  . ASN A 1 77  ? -16.775 21.977 13.365  1.00 27.08  ? 201 ASN A CG  1 
ATOM   460 O OD1 . ASN A 1 77  ? -17.316 21.209 12.559  1.00 34.71  ? 201 ASN A OD1 1 
ATOM   461 N ND2 . ASN A 1 77  ? -17.292 23.162 13.711  1.00 28.94  ? 201 ASN A ND2 1 
ATOM   462 N N   . VAL A 1 78  ? -14.056 21.069 11.260  1.00 30.41  ? 202 VAL A N   1 
ATOM   463 C CA  . VAL A 1 78  ? -14.129 20.782 9.826   1.00 26.69  ? 202 VAL A CA  1 
ATOM   464 C C   . VAL A 1 78  ? -15.238 19.753 9.643   1.00 24.90  ? 202 VAL A C   1 
ATOM   465 O O   . VAL A 1 78  ? -15.275 18.671 10.307  1.00 30.81  ? 202 VAL A O   1 
ATOM   466 C CB  . VAL A 1 78  ? -12.776 20.343 9.273   1.00 27.15  ? 202 VAL A CB  1 
ATOM   467 C CG1 . VAL A 1 78  ? -12.884 20.020 7.796   1.00 28.94  ? 202 VAL A CG1 1 
ATOM   468 C CG2 . VAL A 1 78  ? -11.727 21.390 9.574   1.00 30.47  ? 202 VAL A CG2 1 
ATOM   469 N N   . LYS A 1 79  ? -16.144 20.116 8.760   1.00 27.04  ? 203 LYS A N   1 
ATOM   470 C CA  . LYS A 1 79  ? -17.210 19.246 8.273   1.00 25.64  ? 203 LYS A CA  1 
ATOM   471 C C   . LYS A 1 79  ? -16.679 18.478 7.044   1.00 26.59  ? 203 LYS A C   1 
ATOM   472 O O   . LYS A 1 79  ? -16.016 19.071 6.181   1.00 28.05  ? 203 LYS A O   1 
ATOM   473 C CB  . LYS A 1 79  ? -18.435 20.115 7.963   1.00 30.65  ? 203 LYS A CB  1 
ATOM   474 C CG  . LYS A 1 79  ? -19.167 20.712 9.153   1.00 32.91  ? 203 LYS A CG  1 
ATOM   475 C CD  . LYS A 1 79  ? -19.890 19.665 9.958   1.00 36.11  ? 203 LYS A CD  1 
ATOM   476 C CE  . LYS A 1 79  ? -20.746 20.262 11.056  1.00 45.05  ? 203 LYS A CE  1 
ATOM   477 N NZ  . LYS A 1 79  ? -20.065 20.283 12.371  1.00 57.34  ? 203 LYS A NZ  1 
ATOM   478 N N   . HIS A 1 80  ? -17.011 17.194 6.965   1.00 25.57  ? 204 HIS A N   1 
ATOM   479 C CA  . HIS A 1 80  ? -16.654 16.344 5.805   1.00 23.48  ? 204 HIS A CA  1 
ATOM   480 C C   . HIS A 1 80  ? -17.941 15.740 5.233   1.00 23.07  ? 204 HIS A C   1 
ATOM   481 O O   . HIS A 1 80  ? -18.655 14.990 5.922   1.00 30.98  ? 204 HIS A O   1 
ATOM   482 C CB  . HIS A 1 80  ? -15.640 15.265 6.185   1.00 23.49  ? 204 HIS A CB  1 
ATOM   483 C CG  . HIS A 1 80  ? -14.385 15.781 6.808   1.00 24.50  ? 204 HIS A CG  1 
ATOM   484 N ND1 . HIS A 1 80  ? -13.360 16.313 6.069   1.00 22.63  ? 204 HIS A ND1 1 
ATOM   485 C CD2 . HIS A 1 80  ? -14.018 15.884 8.108   1.00 24.83  ? 204 HIS A CD2 1 
ATOM   486 C CE1 . HIS A 1 80  ? -12.391 16.660 6.926   1.00 23.32  ? 204 HIS A CE1 1 
ATOM   487 N NE2 . HIS A 1 80  ? -12.763 16.422 8.154   1.00 24.90  ? 204 HIS A NE2 1 
ATOM   488 N N   . TYR A 1 81  ? -18.216 16.059 3.981   1.00 24.43  ? 205 TYR A N   1 
ATOM   489 C CA  . TYR A 1 81  ? -19.430 15.579 3.309   1.00 24.03  ? 205 TYR A CA  1 
ATOM   490 C C   . TYR A 1 81  ? -18.962 14.611 2.208   1.00 22.98  ? 205 TYR A C   1 
ATOM   491 O O   . TYR A 1 81  ? -18.120 14.939 1.366   1.00 25.01  ? 205 TYR A O   1 
ATOM   492 C CB  . TYR A 1 81  ? -20.227 16.772 2.753   1.00 25.27  ? 205 TYR A CB  1 
ATOM   493 C CG  . TYR A 1 81  ? -20.557 17.857 3.739   1.00 25.25  ? 205 TYR A CG  1 
ATOM   494 C CD1 . TYR A 1 81  ? -21.551 17.729 4.693   1.00 30.08  ? 205 TYR A CD1 1 
ATOM   495 C CD2 . TYR A 1 81  ? -19.871 19.054 3.687   1.00 24.81  ? 205 TYR A CD2 1 
ATOM   496 C CE1 . TYR A 1 81  ? -21.815 18.753 5.590   1.00 29.78  ? 205 TYR A CE1 1 
ATOM   497 C CE2 . TYR A 1 81  ? -20.139 20.087 4.568   1.00 28.28  ? 205 TYR A CE2 1 
ATOM   498 C CZ  . TYR A 1 81  ? -21.161 19.965 5.484   1.00 28.50  ? 205 TYR A CZ  1 
ATOM   499 O OH  . TYR A 1 81  ? -21.421 21.003 6.371   1.00 28.79  ? 205 TYR A OH  1 
ATOM   500 N N   . LEU A 1 82  ? -19.534 13.406 2.215   1.00 22.59  ? 206 LEU A N   1 
ATOM   501 C CA  . LEU A 1 82  ? -19.241 12.408 1.171   1.00 21.32  ? 206 LEU A CA  1 
ATOM   502 C C   . LEU A 1 82  ? -19.984 12.722 -0.149  1.00 21.42  ? 206 LEU A C   1 
ATOM   503 O O   . LEU A 1 82  ? -21.202 12.821 -0.173  1.00 25.70  ? 206 LEU A O   1 
ATOM   504 C CB  . LEU A 1 82  ? -19.571 11.025 1.684   1.00 25.78  ? 206 LEU A CB  1 
ATOM   505 C CG  . LEU A 1 82  ? -19.072 9.940  0.781   1.00 26.20  ? 206 LEU A CG  1 
ATOM   506 C CD1 . LEU A 1 82  ? -17.557 9.787  0.900   1.00 28.66  ? 206 LEU A CD1 1 
ATOM   507 C CD2 . LEU A 1 82  ? -19.691 8.636  1.156   1.00 35.47  ? 206 LEU A CD2 1 
ATOM   508 N N   . ILE A 1 83  ? -19.215 12.910 -1.217  1.00 20.43  ? 207 ILE A N   1 
ATOM   509 C CA  . ILE A 1 83  ? -19.730 13.076 -2.592  1.00 22.38  ? 207 ILE A CA  1 
ATOM   510 C C   . ILE A 1 83  ? -19.655 11.713 -3.282  1.00 22.56  ? 207 ILE A C   1 
ATOM   511 O O   . ILE A 1 83  ? -18.555 11.222 -3.649  1.00 22.76  ? 207 ILE A O   1 
ATOM   512 C CB  . ILE A 1 83  ? -18.958 14.124 -3.375  1.00 20.57  ? 207 ILE A CB  1 
ATOM   513 C CG1 . ILE A 1 83  ? -18.933 15.501 -2.698  1.00 21.71  ? 207 ILE A CG1 1 
ATOM   514 C CG2 . ILE A 1 83  ? -19.570 14.226 -4.753  1.00 22.28  ? 207 ILE A CG2 1 
ATOM   515 C CD1 . ILE A 1 83  ? -17.911 16.435 -3.332  1.00 22.44  ? 207 ILE A CD1 1 
ATOM   516 N N   . ARG A 1 84  ? -20.808 11.085 -3.485  1.00 24.32  ? 208 ARG A N   1 
ATOM   517 C CA  . ARG A 1 84  ? -20.865 9.803  -4.205  1.00 24.91  ? 208 ARG A CA  1 
ATOM   518 C C   . ARG A 1 84  ? -20.871 10.048 -5.719  1.00 23.85  ? 208 ARG A C   1 
ATOM   519 O O   . ARG A 1 84  ? -21.380 11.092 -6.212  1.00 27.87  ? 208 ARG A O   1 
ATOM   520 C CB  . ARG A 1 84  ? -22.086 9.038  -3.682  1.00 28.61  ? 208 ARG A CB  1 
ATOM   521 C CG  . ARG A 1 84  ? -21.793 8.592  -2.256  1.00 32.37  ? 208 ARG A CG  1 
ATOM   522 C CD  . ARG A 1 84  ? -22.969 7.867  -1.703  1.00 35.86  ? 208 ARG A CD  1 
ATOM   523 N NE  . ARG A 1 84  ? -22.893 7.654  -0.275  1.00 33.63  ? 208 ARG A NE  1 
ATOM   524 C CZ  . ARG A 1 84  ? -22.229 6.660  0.294   1.00 27.02  ? 208 ARG A CZ  1 
ATOM   525 N NH1 . ARG A 1 84  ? -21.476 5.843  -0.423  1.00 27.77  ? 208 ARG A NH1 1 
ATOM   526 N NH2 . ARG A 1 84  ? -22.249 6.548  1.593   1.00 27.23  ? 208 ARG A NH2 1 
ATOM   527 N N   . LYS A 1 85  ? -20.329 9.083  -6.451  1.00 28.32  ? 209 LYS A N   1 
ATOM   528 C CA  . LYS A 1 85  ? -20.206 9.078  -7.935  1.00 32.84  ? 209 LYS A CA  1 
ATOM   529 C C   . LYS A 1 85  ? -21.149 7.990  -8.434  1.00 38.67  ? 209 LYS A C   1 
ATOM   530 O O   . LYS A 1 85  ? -21.052 6.829  -7.928  1.00 37.06  ? 209 LYS A O   1 
ATOM   531 C CB  . LYS A 1 85  ? -18.723 8.901  -8.342  1.00 36.18  ? 209 LYS A CB  1 
ATOM   532 C CG  . LYS A 1 85  ? -18.399 8.966  -9.844  1.00 46.94  ? 209 LYS A CG  1 
ATOM   533 C CD  . LYS A 1 85  ? -17.525 7.822  -10.362 1.00 66.40  ? 209 LYS A CD  1 
ATOM   534 N N   . LEU A 1 86  ? -22.060 8.352  -9.340  1.00 40.19  ? 210 LEU A N   1 
ATOM   535 C CA  . LEU A 1 86  ? -22.939 7.312  -9.983  1.00 43.68  ? 210 LEU A CA  1 
ATOM   536 C C   . LEU A 1 86  ? -22.168 6.688  -11.146 1.00 52.88  ? 210 LEU A C   1 
ATOM   537 O O   . LEU A 1 86  ? -21.487 7.434  -11.891 1.00 45.19  ? 210 LEU A O   1 
ATOM   538 C CB  . LEU A 1 86  ? -24.266 7.949  -10.389 1.00 46.58  ? 210 LEU A CB  1 
ATOM   539 C CG  . LEU A 1 86  ? -25.084 8.506  -9.218  1.00 52.44  ? 210 LEU A CG  1 
ATOM   540 C CD1 . LEU A 1 86  ? -26.123 9.497  -9.705  1.00 72.74  ? 210 LEU A CD1 1 
ATOM   541 C CD2 . LEU A 1 86  ? -25.755 7.398  -8.417  1.00 57.88  ? 210 LEU A CD2 1 
ATOM   542 N N   . ASP A 1 87  ? -22.207 5.370  -11.325 1.00 71.15  ? 211 ASP A N   1 
ATOM   543 C CA  . ASP A 1 87  ? -21.402 4.804  -12.442 1.00 79.94  ? 211 ASP A CA  1 
ATOM   544 C C   . ASP A 1 87  ? -22.019 5.230  -13.757 1.00 50.23  ? 211 ASP A C   1 
ATOM   545 O O   . ASP A 1 87  ? -21.333 5.226  -14.762 1.00 51.46  ? 211 ASP A O   1 
ATOM   546 C CB  . ASP A 1 87  ? -21.323 3.282  -12.417 1.00 104.94 ? 211 ASP A CB  1 
ATOM   547 C CG  . ASP A 1 87  ? -20.720 2.819  -11.121 1.00 130.20 ? 211 ASP A CG  1 
ATOM   548 O OD1 . ASP A 1 87  ? -19.504 2.528  -11.120 1.00 107.18 ? 211 ASP A OD1 1 
ATOM   549 O OD2 . ASP A 1 87  ? -21.466 2.829  -10.128 1.00 97.86  ? 211 ASP A OD2 1 
ATOM   550 N N   . SER A 1 88  ? -23.303 5.528  -13.695 1.00 53.91  ? 212 SER A N   1 
ATOM   551 C CA  . SER A 1 88  ? -24.063 5.982  -14.884 1.00 64.22  ? 212 SER A CA  1 
ATOM   552 C C   . SER A 1 88  ? -23.683 7.437  -15.236 1.00 69.44  ? 212 SER A C   1 
ATOM   553 O O   . SER A 1 88  ? -24.031 7.864  -16.342 1.00 55.69  ? 212 SER A O   1 
ATOM   554 C CB  . SER A 1 88  ? -25.561 5.767  -14.652 1.00 52.67  ? 212 SER A CB  1 
ATOM   555 O OG  . SER A 1 88  ? -25.911 6.065  -13.308 1.00 52.59  ? 212 SER A OG  1 
ATOM   556 N N   . GLY A 1 89  ? -22.938 8.143  -14.368 1.00 45.70  ? 213 GLY A N   1 
ATOM   557 C CA  . GLY A 1 89  ? -22.542 9.548  -14.551 1.00 46.97  ? 213 GLY A CA  1 
ATOM   558 C C   . GLY A 1 89  ? -23.177 10.434 -13.500 1.00 46.87  ? 213 GLY A C   1 
ATOM   559 O O   . GLY A 1 89  ? -24.385 10.267 -13.184 1.00 50.15  ? 213 GLY A O   1 
ATOM   560 N N   . GLY A 1 90  ? -22.396 11.314 -12.895 1.00 43.32  ? 214 GLY A N   1 
ATOM   561 C CA  . GLY A 1 90  ? -22.980 12.271 -11.936 1.00 39.70  ? 214 GLY A CA  1 
ATOM   562 C C   . GLY A 1 90  ? -22.532 12.041 -10.511 1.00 33.48  ? 214 GLY A C   1 
ATOM   563 O O   . GLY A 1 90  ? -21.877 11.008 -10.221 1.00 37.08  ? 214 GLY A O   1 
ATOM   564 N N   . PHE A 1 91  ? -22.799 13.055 -9.689  1.00 29.18  ? 215 PHE A N   1 
ATOM   565 C CA  . PHE A 1 91  ? -22.306 13.203 -8.314  1.00 27.90  ? 215 PHE A CA  1 
ATOM   566 C C   . PHE A 1 91  ? -23.412 13.713 -7.407  1.00 30.68  ? 215 PHE A C   1 
ATOM   567 O O   . PHE A 1 91  ? -24.222 14.516 -7.837  1.00 29.75  ? 215 PHE A O   1 
ATOM   568 C CB  . PHE A 1 91  ? -21.148 14.192 -8.257  1.00 25.70  ? 215 PHE A CB  1 
ATOM   569 C CG  . PHE A 1 91  ? -19.988 13.820 -9.123  1.00 30.68  ? 215 PHE A CG  1 
ATOM   570 C CD1 . PHE A 1 91  ? -18.995 13.005 -8.624  1.00 30.55  ? 215 PHE A CD1 1 
ATOM   571 C CD2 . PHE A 1 91  ? -19.898 14.266 -10.432 1.00 31.13  ? 215 PHE A CD2 1 
ATOM   572 C CE1 . PHE A 1 91  ? -17.893 12.707 -9.403  1.00 36.48  ? 215 PHE A CE1 1 
ATOM   573 C CE2 . PHE A 1 91  ? -18.824 13.925 -11.224 1.00 35.61  ? 215 PHE A CE2 1 
ATOM   574 C CZ  . PHE A 1 91  ? -17.826 13.149 -10.700 1.00 33.47  ? 215 PHE A CZ  1 
ATOM   575 N N   . TYR A 1 92  ? -23.373 13.316 -6.149  1.00 26.93  ? 216 TYR A N   1 
ATOM   576 C CA  . TYR A 1 92  ? -24.317 13.849 -5.148  1.00 27.47  ? 216 TYR A CA  1 
ATOM   577 C C   . TYR A 1 92  ? -23.783 13.725 -3.724  1.00 25.08  ? 216 TYR A C   1 
ATOM   578 O O   . TYR A 1 92  ? -23.009 12.775 -3.430  1.00 26.74  ? 216 TYR A O   1 
ATOM   579 C CB  . TYR A 1 92  ? -25.651 13.116 -5.289  1.00 30.44  ? 216 TYR A CB  1 
ATOM   580 C CG  . TYR A 1 92  ? -25.727 11.712 -4.727  1.00 36.15  ? 216 TYR A CG  1 
ATOM   581 C CD1 . TYR A 1 92  ? -26.008 11.489 -3.385  1.00 38.40  ? 216 TYR A CD1 1 
ATOM   582 C CD2 . TYR A 1 92  ? -25.571 10.608 -5.522  1.00 41.54  ? 216 TYR A CD2 1 
ATOM   583 C CE1 . TYR A 1 92  ? -26.141 10.226 -2.842  1.00 35.10  ? 216 TYR A CE1 1 
ATOM   584 C CE2 . TYR A 1 92  ? -25.704 9.323  -5.003  1.00 32.94  ? 216 TYR A CE2 1 
ATOM   585 C CZ  . TYR A 1 92  ? -25.981 9.124  -3.657  1.00 35.77  ? 216 TYR A CZ  1 
ATOM   586 O OH  . TYR A 1 92  ? -26.111 7.859  -3.098  1.00 38.38  ? 216 TYR A OH  1 
ATOM   587 N N   . ILE A 1 93  ? -24.243 14.630 -2.864  1.00 25.38  ? 217 ILE A N   1 
ATOM   588 C CA  . ILE A 1 93  ? -24.137 14.530 -1.386  1.00 26.48  ? 217 ILE A CA  1 
ATOM   589 C C   . ILE A 1 93  ? -25.480 14.022 -0.812  1.00 36.76  ? 217 ILE A C   1 
ATOM   590 O O   . ILE A 1 93  ? -25.460 13.174 0.093   1.00 35.20  ? 217 ILE A O   1 
ATOM   591 C CB  . ILE A 1 93  ? -23.730 15.871 -0.757  1.00 28.69  ? 217 ILE A CB  1 
ATOM   592 C CG1 . ILE A 1 93  ? -22.318 16.225 -1.176  1.00 24.66  ? 217 ILE A CG1 1 
ATOM   593 C CG2 . ILE A 1 93  ? -23.908 15.815 0.744   1.00 32.21  ? 217 ILE A CG2 1 
ATOM   594 C CD1 . ILE A 1 93  ? -21.913 17.651 -0.889  1.00 26.89  ? 217 ILE A CD1 1 
ATOM   595 N N   . THR A 1 94  ? -26.615 14.451 -1.394  1.00 43.55  ? 218 THR A N   1 
ATOM   596 C CA  . THR A 1 94  ? -28.021 13.987 -1.121  1.00 46.41  ? 218 THR A CA  1 
ATOM   597 C C   . THR A 1 94  ? -28.558 13.359 -2.421  1.00 62.29  ? 218 THR A C   1 
ATOM   598 O O   . THR A 1 94  ? -28.376 13.983 -3.449  1.00 44.40  ? 218 THR A O   1 
ATOM   599 C CB  . THR A 1 94  ? -28.951 15.111 -0.652  1.00 59.23  ? 218 THR A CB  1 
ATOM   600 O OG1 . THR A 1 94  ? -28.256 16.109 0.091   1.00 63.81  ? 218 THR A OG1 1 
ATOM   601 C CG2 . THR A 1 94  ? -30.077 14.587 0.208   1.00 47.21  ? 218 THR A CG2 1 
ATOM   602 N N   . SER A 1 95  ? -29.335 12.265 -2.368  1.00 62.37  ? 219 SER A N   1 
ATOM   603 C CA  . SER A 1 95  ? -29.677 11.466 -3.609  1.00 74.46  ? 219 SER A CA  1 
ATOM   604 C C   . SER A 1 95  ? -30.599 12.262 -4.559  1.00 62.68  ? 219 SER A C   1 
ATOM   605 O O   . SER A 1 95  ? -30.550 11.984 -5.808  1.00 47.80  ? 219 SER A O   1 
ATOM   606 C CB  . SER A 1 95  ? -30.302 10.075 -3.353  1.00 77.31  ? 219 SER A CB  1 
ATOM   607 O OG  . SER A 1 95  ? -31.150 10.083 -2.219  1.00 80.55  ? 219 SER A OG  1 
ATOM   608 N N   . ARG A 1 96  ? -31.353 13.245 -3.996  1.00 71.45  ? 220 ARG A N   1 
ATOM   609 C CA  . ARG A 1 96  ? -32.404 14.031 -4.732  1.00 82.16  ? 220 ARG A CA  1 
ATOM   610 C C   . ARG A 1 96  ? -31.712 15.195 -5.456  1.00 78.29  ? 220 ARG A C   1 
ATOM   611 O O   . ARG A 1 96  ? -32.280 15.783 -6.414  1.00 59.86  ? 220 ARG A O   1 
ATOM   612 C CB  . ARG A 1 96  ? -33.523 14.504 -3.787  1.00 83.64  ? 220 ARG A CB  1 
ATOM   613 C CG  . ARG A 1 96  ? -33.030 15.002 -2.437  1.00 103.74 ? 220 ARG A CG  1 
ATOM   614 C CD  . ARG A 1 96  ? -34.108 15.554 -1.520  1.00 113.71 ? 220 ARG A CD  1 
ATOM   615 N NE  . ARG A 1 96  ? -33.454 16.101 -0.334  1.00 126.17 ? 220 ARG A NE  1 
ATOM   616 C CZ  . ARG A 1 96  ? -32.980 17.345 -0.215  1.00 97.91  ? 220 ARG A CZ  1 
ATOM   617 N NH1 . ARG A 1 96  ? -32.375 17.721 0.901   1.00 84.12  ? 220 ARG A NH1 1 
ATOM   618 N NH2 . ARG A 1 96  ? -33.116 18.216 -1.203  1.00 116.55 ? 220 ARG A NH2 1 
ATOM   619 N N   . THR A 1 97  ? -30.454 15.492 -5.105  1.00 48.76  ? 221 THR A N   1 
ATOM   620 C CA  . THR A 1 97  ? -29.730 16.650 -5.677  1.00 44.83  ? 221 THR A CA  1 
ATOM   621 C C   . THR A 1 97  ? -28.462 16.162 -6.353  1.00 39.59  ? 221 THR A C   1 
ATOM   622 O O   . THR A 1 97  ? -27.430 16.099 -5.661  1.00 40.06  ? 221 THR A O   1 
ATOM   623 C CB  . THR A 1 97  ? -29.512 17.728 -4.622  1.00 45.09  ? 221 THR A CB  1 
ATOM   624 O OG1 . THR A 1 97  ? -30.781 17.846 -3.978  1.00 44.40  ? 221 THR A OG1 1 
ATOM   625 C CG2 . THR A 1 97  ? -29.098 19.013 -5.283  1.00 45.17  ? 221 THR A CG2 1 
ATOM   626 N N   . GLN A 1 98  ? -28.555 15.898 -7.662  1.00 37.16  ? 222 GLN A N   1 
ATOM   627 C CA  . GLN A 1 98  ? -27.490 15.316 -8.520  1.00 35.31  ? 222 GLN A CA  1 
ATOM   628 C C   . GLN A 1 98  ? -26.932 16.385 -9.464  1.00 35.32  ? 222 GLN A C   1 
ATOM   629 O O   . GLN A 1 98  ? -27.663 17.334 -9.863  1.00 41.26  ? 222 GLN A O   1 
ATOM   630 C CB  . GLN A 1 98  ? -27.985 14.097 -9.321  1.00 43.23  ? 222 GLN A CB  1 
ATOM   631 C CG  . GLN A 1 98  ? -28.379 12.906 -8.454  1.00 41.61  ? 222 GLN A CG  1 
ATOM   632 C CD  . GLN A 1 98  ? -28.659 11.601 -9.173  1.00 44.52  ? 222 GLN A CD  1 
ATOM   633 O OE1 . GLN A 1 98  ? -28.422 11.391 -10.376 1.00 44.64  ? 222 GLN A OE1 1 
ATOM   634 N NE2 . GLN A 1 98  ? -29.136 10.662 -8.388  1.00 44.41  ? 222 GLN A NE2 1 
ATOM   635 N N   . PHE A 1 99  ? -25.617 16.252 -9.751  1.00 32.82  ? 223 PHE A N   1 
ATOM   636 C CA  . PHE A 1 99  ? -24.837 17.187 -10.594 1.00 31.17  ? 223 PHE A CA  1 
ATOM   637 C C   . PHE A 1 99  ? -24.039 16.407 -11.667 1.00 30.58  ? 223 PHE A C   1 
ATOM   638 O O   . PHE A 1 99  ? -23.614 15.239 -11.411 1.00 35.76  ? 223 PHE A O   1 
ATOM   639 C CB  . PHE A 1 99  ? -23.913 17.984 -9.673  1.00 28.75  ? 223 PHE A CB  1 
ATOM   640 C CG  . PHE A 1 99  ? -24.589 18.688 -8.522  1.00 30.30  ? 223 PHE A CG  1 
ATOM   641 C CD1 . PHE A 1 99  ? -25.226 19.914 -8.722  1.00 30.74  ? 223 PHE A CD1 1 
ATOM   642 C CD2 . PHE A 1 99  ? -24.640 18.115 -7.259  1.00 29.59  ? 223 PHE A CD2 1 
ATOM   643 C CE1 . PHE A 1 99  ? -25.854 20.562 -7.678  1.00 37.10  ? 223 PHE A CE1 1 
ATOM   644 C CE2 . PHE A 1 99  ? -25.325 18.754 -6.234  1.00 30.79  ? 223 PHE A CE2 1 
ATOM   645 C CZ  . PHE A 1 99  ? -25.888 20.000 -6.430  1.00 35.44  ? 223 PHE A CZ  1 
ATOM   646 N N   . ASN A 1 100 ? -23.823 16.994 -12.850 1.00 35.72  ? 224 ASN A N   1 
ATOM   647 C CA  . ASN A 1 100 ? -23.118 16.327 -13.979 1.00 41.92  ? 224 ASN A CA  1 
ATOM   648 C C   . ASN A 1 100 ? -21.614 16.418 -13.699 1.00 35.52  ? 224 ASN A C   1 
ATOM   649 O O   . ASN A 1 100 ? -20.867 15.672 -14.329 1.00 36.02  ? 224 ASN A O   1 
ATOM   650 C CB  . ASN A 1 100 ? -23.553 16.895 -15.336 1.00 62.39  ? 224 ASN A CB  1 
ATOM   651 C CG  . ASN A 1 100 ? -25.061 16.832 -15.505 1.00 68.16  ? 224 ASN A CG  1 
ATOM   652 O OD1 . ASN A 1 100 ? -25.712 15.862 -15.096 1.00 80.17  ? 224 ASN A OD1 1 
ATOM   653 N ND2 . ASN A 1 100 ? -25.639 17.894 -16.043 1.00 88.39  ? 224 ASN A ND2 1 
ATOM   654 N N   . SER A 1 101 ? -21.205 17.273 -12.742 1.00 31.67  ? 225 SER A N   1 
ATOM   655 C CA  . SER A 1 101 ? -19.756 17.525 -12.470 1.00 29.67  ? 225 SER A CA  1 
ATOM   656 C C   . SER A 1 101 ? -19.516 17.979 -11.028 1.00 27.58  ? 225 SER A C   1 
ATOM   657 O O   . SER A 1 101 ? -20.447 18.540 -10.415 1.00 27.25  ? 225 SER A O   1 
ATOM   658 C CB  . SER A 1 101 ? -19.198 18.542 -13.457 1.00 28.32  ? 225 SER A CB  1 
ATOM   659 O OG  . SER A 1 101 ? -19.740 19.827 -13.225 1.00 29.13  ? 225 SER A OG  1 
ATOM   660 N N   . LEU A 1 102 ? -18.290 17.820 -10.548 1.00 25.08  ? 226 LEU A N   1 
ATOM   661 C CA  . LEU A 1 102 ? -17.925 18.352 -9.224  1.00 22.18  ? 226 LEU A CA  1 
ATOM   662 C C   . LEU A 1 102 ? -17.949 19.884 -9.317  1.00 23.23  ? 226 LEU A C   1 
ATOM   663 O O   . LEU A 1 102 ? -18.285 20.522 -8.367  1.00 23.18  ? 226 LEU A O   1 
ATOM   664 C CB  . LEU A 1 102 ? -16.521 17.855 -8.882  1.00 22.06  ? 226 LEU A CB  1 
ATOM   665 C CG  . LEU A 1 102 ? -16.423 16.376 -8.516  1.00 25.83  ? 226 LEU A CG  1 
ATOM   666 C CD1 . LEU A 1 102 ? -14.990 16.003 -8.225  1.00 28.18  ? 226 LEU A CD1 1 
ATOM   667 C CD2 . LEU A 1 102 ? -17.291 16.077 -7.320  1.00 27.41  ? 226 LEU A CD2 1 
ATOM   668 N N   . GLN A 1 103 ? -17.635 20.427 -10.483 1.00 22.96  ? 227 GLN A N   1 
ATOM   669 C CA  . GLN A 1 103 ? -17.653 21.899 -10.645 1.00 24.57  ? 227 GLN A CA  1 
ATOM   670 C C   . GLN A 1 103 ? -19.070 22.422 -10.410 1.00 24.42  ? 227 GLN A C   1 
ATOM   671 O O   . GLN A 1 103 ? -19.206 23.419 -9.744  1.00 25.79  ? 227 GLN A O   1 
ATOM   672 C CB  . GLN A 1 103 ? -17.180 22.237 -12.056 1.00 24.89  ? 227 GLN A CB  1 
ATOM   673 C CG  . GLN A 1 103 ? -15.708 21.924 -12.269 1.00 35.52  ? 227 GLN A CG  1 
ATOM   674 C CD  . GLN A 1 103 ? -15.317 20.580 -12.840 1.00 36.97  ? 227 GLN A CD  1 
ATOM   675 O OE1 . GLN A 1 103 ? -15.988 19.562 -12.680 1.00 28.83  ? 227 GLN A OE1 1 
ATOM   676 N NE2 . GLN A 1 103 ? -14.164 20.583 -13.477 1.00 33.45  ? 227 GLN A NE2 1 
ATOM   677 N N   . GLN A 1 104 ? -20.066 21.730 -10.942 1.00 25.40  ? 228 GLN A N   1 
ATOM   678 C CA  . GLN A 1 104 ? -21.478 22.137 -10.780 1.00 26.07  ? 228 GLN A CA  1 
ATOM   679 C C   . GLN A 1 104 ? -21.906 21.962 -9.320  1.00 25.94  ? 228 GLN A C   1 
ATOM   680 O O   . GLN A 1 104 ? -22.637 22.775 -8.843  1.00 26.40  ? 228 GLN A O   1 
ATOM   681 C CB  . GLN A 1 104 ? -22.325 21.317 -11.745 1.00 33.04  ? 228 GLN A CB  1 
ATOM   682 C CG  . GLN A 1 104 ? -23.729 21.850 -11.903 1.00 61.02  ? 228 GLN A CG  1 
ATOM   683 C CD  . GLN A 1 104 ? -24.530 21.046 -12.892 1.00 60.31  ? 228 GLN A CD  1 
ATOM   684 O OE1 . GLN A 1 104 ? -24.867 19.895 -12.664 1.00 54.37  ? 228 GLN A OE1 1 
ATOM   685 N NE2 . GLN A 1 104 ? -24.840 21.662 -14.014 1.00 73.51  ? 228 GLN A NE2 1 
ATOM   686 N N   . LEU A 1 105 ? -21.449 20.905 -8.650  1.00 24.61  ? 229 LEU A N   1 
ATOM   687 C CA  . LEU A 1 105 ? -21.758 20.680 -7.224  1.00 23.18  ? 229 LEU A CA  1 
ATOM   688 C C   . LEU A 1 105 ? -21.220 21.856 -6.392  1.00 24.52  ? 229 LEU A C   1 
ATOM   689 O O   . LEU A 1 105 ? -21.910 22.358 -5.521  1.00 25.48  ? 229 LEU A O   1 
ATOM   690 C CB  . LEU A 1 105 ? -21.149 19.340 -6.793  1.00 23.56  ? 229 LEU A CB  1 
ATOM   691 C CG  . LEU A 1 105 ? -21.397 18.871 -5.359  1.00 24.19  ? 229 LEU A CG  1 
ATOM   692 C CD1 . LEU A 1 105 ? -21.390 17.363 -5.261  1.00 26.74  ? 229 LEU A CD1 1 
ATOM   693 C CD2 . LEU A 1 105 ? -20.423 19.467 -4.373  1.00 25.83  ? 229 LEU A CD2 1 
ATOM   694 N N   . VAL A 1 106 ? -19.947 22.216 -6.597  1.00 23.25  ? 230 VAL A N   1 
ATOM   695 C CA  . VAL A 1 106 ? -19.285 23.323 -5.853  1.00 22.67  ? 230 VAL A CA  1 
ATOM   696 C C   . VAL A 1 106 ? -20.093 24.613 -6.085  1.00 24.11  ? 230 VAL A C   1 
ATOM   697 O O   . VAL A 1 106 ? -20.330 25.336 -5.110  1.00 24.81  ? 230 VAL A O   1 
ATOM   698 C CB  . VAL A 1 106 ? -17.808 23.404 -6.250  1.00 21.62  ? 230 VAL A CB  1 
ATOM   699 C CG1 . VAL A 1 106 ? -17.204 24.729 -5.804  1.00 23.53  ? 230 VAL A CG1 1 
ATOM   700 C CG2 . VAL A 1 106 ? -17.090 22.189 -5.650  1.00 23.25  ? 230 VAL A CG2 1 
ATOM   701 N N   . ALA A 1 107 ? -20.425 24.932 -7.340  1.00 26.14  ? 231 ALA A N   1 
ATOM   702 C CA  . ALA A 1 107 ? -21.126 26.192 -7.656  1.00 29.56  ? 231 ALA A CA  1 
ATOM   703 C C   . ALA A 1 107 ? -22.439 26.231 -6.869  1.00 26.02  ? 231 ALA A C   1 
ATOM   704 O O   . ALA A 1 107 ? -22.779 27.253 -6.285  1.00 27.90  ? 231 ALA A O   1 
ATOM   705 C CB  . ALA A 1 107 ? -21.366 26.271 -9.135  1.00 27.46  ? 231 ALA A CB  1 
ATOM   706 N N   . TYR A 1 108 ? -23.189 25.115 -6.864  1.00 25.40  ? 232 TYR A N   1 
ATOM   707 C CA  . TYR A 1 108 ? -24.518 25.022 -6.204  1.00 28.50  ? 232 TYR A CA  1 
ATOM   708 C C   . TYR A 1 108 ? -24.389 25.272 -4.698  1.00 29.18  ? 232 TYR A C   1 
ATOM   709 O O   . TYR A 1 108 ? -25.141 26.084 -4.109  1.00 30.91  ? 232 TYR A O   1 
ATOM   710 C CB  . TYR A 1 108 ? -25.150 23.655 -6.480  1.00 29.68  ? 232 TYR A CB  1 
ATOM   711 C CG  . TYR A 1 108 ? -26.480 23.422 -5.826  1.00 32.11  ? 232 TYR A CG  1 
ATOM   712 C CD1 . TYR A 1 108 ? -26.577 22.893 -4.544  1.00 31.16  ? 232 TYR A CD1 1 
ATOM   713 C CD2 . TYR A 1 108 ? -27.641 23.717 -6.514  1.00 33.39  ? 232 TYR A CD2 1 
ATOM   714 C CE1 . TYR A 1 108 ? -27.794 22.690 -3.921  1.00 33.88  ? 232 TYR A CE1 1 
ATOM   715 C CE2 . TYR A 1 108 ? -28.855 23.506 -5.906  1.00 38.09  ? 232 TYR A CE2 1 
ATOM   716 C CZ  . TYR A 1 108 ? -28.942 22.976 -4.630  1.00 39.18  ? 232 TYR A CZ  1 
ATOM   717 O OH  . TYR A 1 108 ? -30.182 22.786 -4.088  1.00 41.30  ? 232 TYR A OH  1 
ATOM   718 N N   . TYR A 1 109 ? -23.449 24.575 -4.029  1.00 27.69  ? 233 TYR A N   1 
ATOM   719 C CA  . TYR A 1 109 ? -23.290 24.683 -2.559  1.00 24.43  ? 233 TYR A CA  1 
ATOM   720 C C   . TYR A 1 109 ? -22.580 25.988 -2.180  1.00 25.57  ? 233 TYR A C   1 
ATOM   721 O O   . TYR A 1 109 ? -22.599 26.333 -0.992  1.00 26.78  ? 233 TYR A O   1 
ATOM   722 C CB  . TYR A 1 109 ? -22.680 23.408 -1.977  1.00 25.13  ? 233 TYR A CB  1 
ATOM   723 C CG  . TYR A 1 109 ? -23.588 22.205 -1.979  1.00 24.84  ? 233 TYR A CG  1 
ATOM   724 C CD1 . TYR A 1 109 ? -24.696 22.167 -1.162  1.00 25.65  ? 233 TYR A CD1 1 
ATOM   725 C CD2 . TYR A 1 109 ? -23.382 21.141 -2.826  1.00 26.96  ? 233 TYR A CD2 1 
ATOM   726 C CE1 . TYR A 1 109 ? -25.556 21.083 -1.181  1.00 28.90  ? 233 TYR A CE1 1 
ATOM   727 C CE2 . TYR A 1 109 ? -24.244 20.067 -2.864  1.00 27.89  ? 233 TYR A CE2 1 
ATOM   728 C CZ  . TYR A 1 109 ? -25.311 20.007 -2.007  1.00 28.51  ? 233 TYR A CZ  1 
ATOM   729 O OH  . TYR A 1 109 ? -26.159 18.933 -2.011  1.00 30.87  ? 233 TYR A OH  1 
ATOM   730 N N   . SER A 1 110 ? -22.029 26.716 -3.163  1.00 27.46  ? 234 SER A N   1 
ATOM   731 C CA  . SER A 1 110 ? -21.457 28.079 -2.953  1.00 25.35  ? 234 SER A CA  1 
ATOM   732 C C   . SER A 1 110 ? -22.596 29.108 -2.849  1.00 27.43  ? 234 SER A C   1 
ATOM   733 O O   . SER A 1 110 ? -22.380 30.125 -2.196  1.00 30.82  ? 234 SER A O   1 
ATOM   734 C CB  . SER A 1 110 ? -20.480 28.458 -4.041  1.00 27.18  ? 234 SER A CB  1 
ATOM   735 O OG  . SER A 1 110 ? -21.141 28.973 -5.200  1.00 30.15  ? 234 SER A OG  1 
ATOM   736 N N   . LYS A 1 111 ? -23.783 28.816 -3.399  1.00 32.32  ? 235 LYS A N   1 
ATOM   737 C CA  . LYS A 1 111 ? -24.933 29.775 -3.434  1.00 36.65  ? 235 LYS A CA  1 
ATOM   738 C C   . LYS A 1 111 ? -25.703 29.666 -2.101  1.00 39.17  ? 235 LYS A C   1 
ATOM   739 O O   . LYS A 1 111 ? -25.996 30.727 -1.492  1.00 45.07  ? 235 LYS A O   1 
ATOM   740 C CB  . LYS A 1 111 ? -25.837 29.489 -4.648  1.00 40.30  ? 235 LYS A CB  1 
ATOM   741 C CG  . LYS A 1 111 ? -25.399 30.061 -5.990  1.00 61.84  ? 235 LYS A CG  1 
ATOM   742 N N   . HIS A 1 112 ? -26.006 28.422 -1.659  1.00 40.59  ? 236 HIS A N   1 
ATOM   743 C CA  . HIS A 1 112 ? -26.865 28.124 -0.477  1.00 49.31  ? 236 HIS A CA  1 
ATOM   744 C C   . HIS A 1 112 ? -26.378 26.821 0.171   1.00 37.26  ? 236 HIS A C   1 
ATOM   745 O O   . HIS A 1 112 ? -25.836 25.960 -0.546  1.00 37.75  ? 236 HIS A O   1 
ATOM   746 C CB  . HIS A 1 112 ? -28.364 27.937 -0.809  1.00 66.66  ? 236 HIS A CB  1 
ATOM   747 C CG  . HIS A 1 112 ? -29.025 28.989 -1.641  1.00 96.25  ? 236 HIS A CG  1 
ATOM   748 N ND1 . HIS A 1 112 ? -29.337 28.772 -2.967  1.00 70.02  ? 236 HIS A ND1 1 
ATOM   749 C CD2 . HIS A 1 112 ? -29.518 30.212 -1.331  1.00 102.21 ? 236 HIS A CD2 1 
ATOM   750 C CE1 . HIS A 1 112 ? -29.952 29.829 -3.457  1.00 124.36 ? 236 HIS A CE1 1 
ATOM   751 N NE2 . HIS A 1 112 ? -30.083 30.735 -2.469  1.00 77.15  ? 236 HIS A NE2 1 
ATOM   752 N N   . ALA A 1 113 ? -26.504 26.737 1.484   1.00 34.04  ? 237 ALA A N   1 
ATOM   753 C CA  . ALA A 1 113 ? -26.101 25.534 2.224   1.00 34.22  ? 237 ALA A CA  1 
ATOM   754 C C   . ALA A 1 113 ? -26.924 24.346 1.732   1.00 37.36  ? 237 ALA A C   1 
ATOM   755 O O   . ALA A 1 113 ? -26.344 23.292 1.535   1.00 36.96  ? 237 ALA A O   1 
ATOM   756 C CB  . ALA A 1 113 ? -26.267 25.761 3.694   1.00 36.27  ? 237 ALA A CB  1 
ATOM   757 N N   . ASP A 1 114 ? -28.251 24.506 1.665   1.00 41.56  ? 238 ASP A N   1 
ATOM   758 C CA  . ASP A 1 114 ? -29.181 23.445 1.190   1.00 38.89  ? 238 ASP A CA  1 
ATOM   759 C C   . ASP A 1 114 ? -28.886 22.096 1.848   1.00 41.12  ? 238 ASP A C   1 
ATOM   760 O O   . ASP A 1 114 ? -28.772 21.141 1.117   1.00 46.21  ? 238 ASP A O   1 
ATOM   761 C CB  . ASP A 1 114 ? -29.238 23.297 -0.328  1.00 41.02  ? 238 ASP A CB  1 
ATOM   762 C CG  . ASP A 1 114 ? -30.382 22.404 -0.768  1.00 50.66  ? 238 ASP A CG  1 
ATOM   763 O OD1 . ASP A 1 114 ? -31.329 22.278 0.005   1.00 56.88  ? 238 ASP A OD1 1 
ATOM   764 O OD2 . ASP A 1 114 ? -30.318 21.862 -1.861  1.00 47.15  ? 238 ASP A OD2 1 
ATOM   765 N N   . GLY A 1 115 ? -28.717 22.018 3.158   1.00 37.93  ? 239 GLY A N   1 
ATOM   766 C CA  . GLY A 1 115 ? -28.402 20.688 3.706   1.00 46.99  ? 239 GLY A CA  1 
ATOM   767 C C   . GLY A 1 115 ? -27.068 20.672 4.421   1.00 48.24  ? 239 GLY A C   1 
ATOM   768 O O   . GLY A 1 115 ? -26.989 20.093 5.484   1.00 49.99  ? 239 GLY A O   1 
ATOM   769 N N   . LEU A 1 116 ? -26.071 21.402 3.910   1.00 38.16  ? 240 LEU A N   1 
ATOM   770 C CA  . LEU A 1 116 ? -24.759 21.557 4.589   1.00 33.99  ? 240 LEU A CA  1 
ATOM   771 C C   . LEU A 1 116 ? -24.924 22.468 5.820   1.00 33.68  ? 240 LEU A C   1 
ATOM   772 O O   . LEU A 1 116 ? -25.936 23.198 5.914   1.00 34.94  ? 240 LEU A O   1 
ATOM   773 C CB  . LEU A 1 116 ? -23.707 22.128 3.626   1.00 30.72  ? 240 LEU A CB  1 
ATOM   774 C CG  . LEU A 1 116 ? -23.513 21.447 2.274   1.00 31.17  ? 240 LEU A CG  1 
ATOM   775 C CD1 . LEU A 1 116 ? -22.338 22.075 1.571   1.00 32.35  ? 240 LEU A CD1 1 
ATOM   776 C CD2 . LEU A 1 116 ? -23.309 19.945 2.366   1.00 33.94  ? 240 LEU A CD2 1 
ATOM   777 N N   . SER A 1 117 ? -23.937 22.467 6.728   1.00 31.29  ? 241 SER A N   1 
ATOM   778 C CA  . SER A 1 117 ? -23.862 23.375 7.912   1.00 31.69  ? 241 SER A CA  1 
ATOM   779 C C   . SER A 1 117 ? -23.838 24.847 7.459   1.00 30.58  ? 241 SER A C   1 
ATOM   780 O O   . SER A 1 117 ? -24.386 25.713 8.150   1.00 34.10  ? 241 SER A O   1 
ATOM   781 C CB  . SER A 1 117 ? -22.678 23.041 8.792   1.00 35.91  ? 241 SER A CB  1 
ATOM   782 O OG  . SER A 1 117 ? -22.950 21.822 9.463   1.00 40.54  ? 241 SER A OG  1 
ATOM   783 N N   . HIS A 1 118 ? -23.178 25.092 6.335   1.00 31.59  ? 242 HIS A N   1 
ATOM   784 C CA  . HIS A 1 118 ? -22.914 26.427 5.791   1.00 29.57  ? 242 HIS A CA  1 
ATOM   785 C C   . HIS A 1 118 ? -22.556 26.274 4.320   1.00 27.17  ? 242 HIS A C   1 
ATOM   786 O O   . HIS A 1 118 ? -21.921 25.294 3.888   1.00 27.84  ? 242 HIS A O   1 
ATOM   787 C CB  . HIS A 1 118 ? -21.817 27.107 6.628   1.00 29.09  ? 242 HIS A CB  1 
ATOM   788 C CG  . HIS A 1 118 ? -21.663 28.575 6.473   1.00 33.49  ? 242 HIS A CG  1 
ATOM   789 N ND1 . HIS A 1 118 ? -20.992 29.136 5.404   1.00 30.80  ? 242 HIS A ND1 1 
ATOM   790 C CD2 . HIS A 1 118 ? -22.083 29.608 7.253   1.00 36.36  ? 242 HIS A CD2 1 
ATOM   791 C CE1 . HIS A 1 118 ? -21.002 30.467 5.548   1.00 33.98  ? 242 HIS A CE1 1 
ATOM   792 N NE2 . HIS A 1 118 ? -21.606 30.750 6.699   1.00 35.11  ? 242 HIS A NE2 1 
ATOM   793 N N   . ARG A 1 119 ? -22.864 27.309 3.567   1.00 28.91  ? 243 ARG A N   1 
ATOM   794 C CA  . ARG A 1 119 ? -22.482 27.361 2.155   1.00 28.11  ? 243 ARG A CA  1 
ATOM   795 C C   . ARG A 1 119 ? -20.957 27.476 2.042   1.00 24.63  ? 243 ARG A C   1 
ATOM   796 O O   . ARG A 1 119 ? -20.250 27.845 3.015   1.00 27.74  ? 243 ARG A O   1 
ATOM   797 C CB  . ARG A 1 119 ? -23.205 28.515 1.474   1.00 29.12  ? 243 ARG A CB  1 
ATOM   798 C CG  . ARG A 1 119 ? -22.564 29.873 1.686   1.00 29.52  ? 243 ARG A CG  1 
ATOM   799 C CD  . ARG A 1 119 ? -23.385 31.005 1.066   1.00 34.98  ? 243 ARG A CD  1 
ATOM   800 N NE  . ARG A 1 119 ? -22.668 32.248 1.275   1.00 36.98  ? 243 ARG A NE  1 
ATOM   801 C CZ  . ARG A 1 119 ? -21.772 32.762 0.447   1.00 41.70  ? 243 ARG A CZ  1 
ATOM   802 N NH1 . ARG A 1 119 ? -21.440 32.131 -0.669  1.00 49.53  ? 243 ARG A NH1 1 
ATOM   803 N NH2 . ARG A 1 119 ? -21.159 33.886 0.761   1.00 53.92  ? 243 ARG A NH2 1 
ATOM   804 N N   . LEU A 1 120 ? -20.476 27.127 0.859   1.00 24.55  ? 244 LEU A N   1 
ATOM   805 C CA  . LEU A 1 120 ? -19.048 27.260 0.479   1.00 23.97  ? 244 LEU A CA  1 
ATOM   806 C C   . LEU A 1 120 ? -18.786 28.720 0.160   1.00 24.83  ? 244 LEU A C   1 
ATOM   807 O O   . LEU A 1 120 ? -19.492 29.286 -0.672  1.00 29.11  ? 244 LEU A O   1 
ATOM   808 C CB  . LEU A 1 120 ? -18.754 26.356 -0.718  1.00 26.00  ? 244 LEU A CB  1 
ATOM   809 C CG  . LEU A 1 120 ? -19.229 24.900 -0.580  1.00 23.66  ? 244 LEU A CG  1 
ATOM   810 C CD1 . LEU A 1 120 ? -18.853 24.130 -1.816  1.00 23.79  ? 244 LEU A CD1 1 
ATOM   811 C CD2 . LEU A 1 120 ? -18.756 24.237 0.701   1.00 26.59  ? 244 LEU A CD2 1 
ATOM   812 N N   . THR A 1 121 ? -17.815 29.283 0.828   1.00 25.29  ? 245 THR A N   1 
ATOM   813 C CA  . THR A 1 121 ? -17.465 30.723 0.700   1.00 28.21  ? 245 THR A CA  1 
ATOM   814 C C   . THR A 1 121 ? -16.090 30.975 0.088   1.00 29.47  ? 245 THR A C   1 
ATOM   815 O O   . THR A 1 121 ? -15.943 31.958 -0.633  1.00 32.43  ? 245 THR A O   1 
ATOM   816 C CB  . THR A 1 121 ? -17.525 31.437 2.049   1.00 27.25  ? 245 THR A CB  1 
ATOM   817 O OG1 . THR A 1 121 ? -16.497 30.909 2.895   1.00 29.51  ? 245 THR A OG1 1 
ATOM   818 C CG2 . THR A 1 121 ? -18.888 31.309 2.703   1.00 31.39  ? 245 THR A CG2 1 
ATOM   819 N N   . THR A 1 122 ? -15.104 30.165 0.440   1.00 27.25  ? 246 THR A N   1 
ATOM   820 C CA  . THR A 1 122 ? -13.680 30.472 0.234   1.00 26.89  ? 246 THR A CA  1 
ATOM   821 C C   . THR A 1 122 ? -12.933 29.205 -0.174  1.00 23.78  ? 246 THR A C   1 
ATOM   822 O O   . THR A 1 122 ? -12.987 28.201 0.531   1.00 27.08  ? 246 THR A O   1 
ATOM   823 C CB  . THR A 1 122 ? -13.119 31.051 1.534   1.00 25.55  ? 246 THR A CB  1 
ATOM   824 O OG1 . THR A 1 122 ? -14.044 32.022 2.058   1.00 30.12  ? 246 THR A OG1 1 
ATOM   825 C CG2 . THR A 1 122 ? -11.754 31.656 1.343   1.00 30.45  ? 246 THR A CG2 1 
ATOM   826 N N   . VAL A 1 123 ? -12.174 29.281 -1.258  1.00 24.31  ? 247 VAL A N   1 
ATOM   827 C CA  . VAL A 1 123 ? -11.297 28.170 -1.658  1.00 24.83  ? 247 VAL A CA  1 
ATOM   828 C C   . VAL A 1 123 ? -10.168 28.095 -0.629  1.00 26.40  ? 247 VAL A C   1 
ATOM   829 O O   . VAL A 1 123 ? -9.544  29.125 -0.300  1.00 30.00  ? 247 VAL A O   1 
ATOM   830 C CB  . VAL A 1 123 ? -10.825 28.312 -3.110  1.00 28.57  ? 247 VAL A CB  1 
ATOM   831 C CG1 . VAL A 1 123 ? -9.745  27.284 -3.435  1.00 27.23  ? 247 VAL A CG1 1 
ATOM   832 C CG2 . VAL A 1 123 ? -11.966 28.218 -4.087  1.00 27.49  ? 247 VAL A CG2 1 
ATOM   833 N N   . SER A 1 124 ? -9.902  26.898 -0.098  1.00 25.74  ? 248 SER A N   1 
ATOM   834 C CA  . SER A 1 124 ? -8.816  26.687 0.892   1.00 28.02  ? 248 SER A CA  1 
ATOM   835 C C   . SER A 1 124 ? -7.542  27.381 0.446   1.00 32.96  ? 248 SER A C   1 
ATOM   836 O O   . SER A 1 124 ? -7.150  27.084 -0.700  1.00 31.26  ? 248 SER A O   1 
ATOM   837 C CB  . SER A 1 124 ? -8.543  25.222 1.067   1.00 26.73  ? 248 SER A CB  1 
ATOM   838 O OG  . SER A 1 124 ? -7.541  25.048 2.036   1.00 27.79  ? 248 SER A OG  1 
ATOM   839 N N   . PRO A 1 125 ? -6.893  28.297 1.261   1.00 39.00  ? 249 PRO A N   1 
ATOM   840 C CA  . PRO A 1 125 ? -5.464  28.524 1.049   1.00 54.79  ? 249 PRO A CA  1 
ATOM   841 C C   . PRO A 1 125 ? -4.619  27.228 0.896   1.00 60.76  ? 249 PRO A C   1 
ATOM   842 O O   . PRO A 1 125 ? -4.944  26.106 1.347   1.00 45.10  ? 249 PRO A O   1 
ATOM   843 C CB  . PRO A 1 125 ? -5.023  29.303 2.297   1.00 58.01  ? 249 PRO A CB  1 
ATOM   844 C CG  . PRO A 1 125 ? -6.283  29.968 2.823   1.00 67.66  ? 249 PRO A CG  1 
ATOM   845 C CD  . PRO A 1 125 ? -7.446  29.086 2.391   1.00 94.43  ? 249 PRO A CD  1 
ATOM   846 N N   . THR A 1 126 ? -3.460  27.369 0.275   1.00 74.95  ? 250 THR A N   1 
ATOM   847 C CA  . THR A 1 126 ? -2.611  26.213 -0.138  1.00 47.48  ? 250 THR A CA  1 
ATOM   848 C C   . THR A 1 126 ? -1.772  25.638 1.043   1.00 90.44  ? 250 THR A C   1 
ATOM   849 O O   . THR A 1 126 ? -1.179  24.445 0.856   1.00 88.83  ? 250 THR A O   1 
ATOM   850 C CB  . THR A 1 126 ? -1.811  26.610 -1.381  1.00 69.02  ? 250 THR A CB  1 
ATOM   851 O OG1 . THR A 1 126 ? -1.423  27.988 -1.331  1.00 63.69  ? 250 THR A OG1 1 
ATOM   852 C CG2 . THR A 1 126 ? -2.598  26.396 -2.656  1.00 88.56  ? 250 THR A CG2 1 
ATOM   853 N N   . SER A 1 127 ? -1.674  26.384 2.174   1.00 73.99  ? 251 SER A N   1 
ATOM   854 C CA  . SER A 1 127 ? -0.787  26.098 3.345   1.00 76.31  ? 251 SER A CA  1 
ATOM   855 C C   . SER A 1 127 ? -0.216  24.676 3.246   1.00 88.55  ? 251 SER A C   1 
ATOM   856 O O   . SER A 1 127 ? 0.933   24.448 2.837   1.00 69.20  ? 251 SER A O   1 
ATOM   857 C CB  . SER A 1 127 ? -1.499  26.307 4.685   1.00 70.89  ? 251 SER A CB  1 
ATOM   858 O OG  . SER A 1 127 ? -2.499  27.328 4.617   1.00 65.38  ? 251 SER A OG  1 
HETATM 859 O O   . HOH B 2 .   ? -8.635  11.937 1.501   1.00 36.08  ? 301 HOH A O   1 
HETATM 860 O O   . HOH B 2 .   ? -4.798  27.162 5.505   1.00 56.96  ? 302 HOH A O   1 
HETATM 861 O O   . HOH B 2 .   ? -30.525 18.963 -1.717  1.00 50.11  ? 303 HOH A O   1 
HETATM 862 O O   . HOH B 2 .   ? -22.046 23.585 12.895  1.00 47.14  ? 304 HOH A O   1 
HETATM 863 O O   . HOH B 2 .   ? -10.389 14.710 -14.627 1.00 62.41  ? 305 HOH A O   1 
HETATM 864 O O   . HOH B 2 .   ? -8.153  4.709  2.882   1.00 59.35  ? 306 HOH A O   1 
HETATM 865 O O   . HOH B 2 .   ? -28.155 18.862 -0.407  1.00 46.93  ? 307 HOH A O   1 
HETATM 866 O O   . HOH B 2 .   ? -13.482 11.839 5.773   1.00 36.31  ? 308 HOH A O   1 
HETATM 867 O O   . HOH B 2 .   ? -5.101  31.614 -7.245  1.00 55.30  ? 309 HOH A O   1 
HETATM 868 O O   . HOH B 2 .   ? -12.476 32.317 10.974  1.00 37.69  ? 310 HOH A O   1 
HETATM 869 O O   . HOH B 2 .   ? -7.067  26.208 4.352   1.00 49.24  ? 311 HOH A O   1 
HETATM 870 O O   . HOH B 2 .   ? -27.877 24.447 7.132   1.00 48.56  ? 312 HOH A O   1 
HETATM 871 O O   . HOH B 2 .   ? -13.812 21.285 17.009  1.00 60.73  ? 313 HOH A O   1 
HETATM 872 O O   . HOH B 2 .   ? -17.000 18.613 12.646  1.00 45.95  ? 314 HOH A O   1 
HETATM 873 O O   . HOH B 2 .   ? -26.444 8.775  -13.867 1.00 44.97  ? 315 HOH A O   1 
HETATM 874 O O   . HOH B 2 .   ? -11.555 8.153  7.717   1.00 39.17  ? 316 HOH A O   1 
HETATM 875 O O   . HOH B 2 .   ? -8.526  31.383 -1.214  1.00 53.23  ? 317 HOH A O   1 
HETATM 876 O O   . HOH B 2 .   ? -9.083  29.235 -11.085 1.00 48.38  ? 318 HOH A O   1 
HETATM 877 O O   . HOH B 2 .   ? -14.392 10.276 2.785   1.00 32.65  ? 319 HOH A O   1 
HETATM 878 O O   . HOH B 2 .   ? -13.766 12.245 -11.385 1.00 52.05  ? 320 HOH A O   1 
HETATM 879 O O   . HOH B 2 .   ? -23.409 11.815 1.108   1.00 51.11  ? 321 HOH A O   1 
HETATM 880 O O   . HOH B 2 .   ? -13.814 16.888 11.744  1.00 45.95  ? 322 HOH A O   1 
HETATM 881 O O   . HOH B 2 .   ? -26.211 16.588 -3.313  1.00 29.34  ? 323 HOH A O   1 
HETATM 882 O O   . HOH B 2 .   ? -13.990 8.519  -9.139  1.00 41.88  ? 324 HOH A O   1 
HETATM 883 O O   . HOH B 2 .   ? -17.919 33.666 -1.297  1.00 42.98  ? 325 HOH A O   1 
HETATM 884 O O   . HOH B 2 .   ? -14.202 34.550 1.136   1.00 36.93  ? 326 HOH A O   1 
HETATM 885 O O   . HOH B 2 .   ? -20.475 23.405 5.587   1.00 29.46  ? 327 HOH A O   1 
HETATM 886 O O   . HOH B 2 .   ? -1.653  13.447 6.962   1.00 60.58  ? 328 HOH A O   1 
HETATM 887 O O   . HOH B 2 .   ? -7.181  8.080  -2.543  1.00 62.94  ? 329 HOH A O   1 
HETATM 888 O O   . HOH B 2 .   ? -21.097 31.668 -4.990  1.00 36.09  ? 330 HOH A O   1 
HETATM 889 O O   . HOH B 2 .   ? -13.180 28.878 9.228   1.00 30.98  ? 331 HOH A O   1 
HETATM 890 O O   . HOH B 2 .   ? -15.059 2.518  -6.990  1.00 53.24  ? 332 HOH A O   1 
HETATM 891 O O   . HOH B 2 .   ? -22.226 29.038 15.074  1.00 40.86  ? 333 HOH A O   1 
HETATM 892 O O   . HOH B 2 .   ? -30.052 26.541 1.971   1.00 53.41  ? 334 HOH A O   1 
HETATM 893 O O   . HOH B 2 .   ? -11.827 35.403 7.897   1.00 55.58  ? 335 HOH A O   1 
HETATM 894 O O   . HOH B 2 .   ? -11.179 27.708 10.262  1.00 33.75  ? 336 HOH A O   1 
HETATM 895 O O   . HOH B 2 .   ? -22.556 20.256 18.248  1.00 83.78  ? 337 HOH A O   1 
HETATM 896 O O   . HOH B 2 .   ? -8.886  34.661 13.275  1.00 40.04  ? 338 HOH A O   1 
HETATM 897 O O   . HOH B 2 .   ? -15.342 24.547 -14.051 1.00 38.22  ? 339 HOH A O   1 
HETATM 898 O O   . HOH B 2 .   ? -19.277 25.002 7.386   1.00 32.25  ? 340 HOH A O   1 
HETATM 899 O O   . HOH B 2 .   ? -17.588 6.721  4.640   1.00 35.74  ? 341 HOH A O   1 
HETATM 900 O O   . HOH B 2 .   ? -18.405 30.908 -2.660  1.00 43.68  ? 342 HOH A O   1 
HETATM 901 O O   . HOH B 2 .   ? -11.745 9.295  -5.477  1.00 29.32  ? 343 HOH A O   1 
HETATM 902 O O   . HOH B 2 .   ? -6.057  26.348 -3.425  1.00 40.74  ? 344 HOH A O   1 
HETATM 903 O O   . HOH B 2 .   ? -11.621 26.374 -13.407 1.00 48.51  ? 345 HOH A O   1 
HETATM 904 O O   . HOH B 2 .   ? -5.075  17.629 11.364  1.00 48.88  ? 346 HOH A O   1 
HETATM 905 O O   . HOH B 2 .   ? -10.947 26.725 -9.678  1.00 43.32  ? 347 HOH A O   1 
HETATM 906 O O   . HOH B 2 .   ? -18.157 33.128 6.062   1.00 37.30  ? 348 HOH A O   1 
HETATM 907 O O   . HOH B 2 .   ? -30.026 7.979  -8.319  1.00 45.37  ? 349 HOH A O   1 
HETATM 908 O O   . HOH B 2 .   ? -21.034 15.299 7.420   1.00 50.28  ? 350 HOH A O   1 
HETATM 909 O O   . HOH B 2 .   ? -29.032 19.815 -9.623  1.00 60.27  ? 351 HOH A O   1 
HETATM 910 O O   . HOH B 2 .   ? -10.684 5.092  -0.839  0.50 34.43  ? 352 HOH A O   1 
HETATM 911 O O   . HOH B 2 .   ? -18.382 16.053 9.182   1.00 45.13  ? 353 HOH A O   1 
HETATM 912 O O   . HOH B 2 .   ? -24.178 9.565  1.398   1.00 45.91  ? 354 HOH A O   1 
HETATM 913 O O   . HOH B 2 .   ? -14.848 26.342 -9.804  1.00 35.32  ? 355 HOH A O   1 
HETATM 914 O O   . HOH B 2 .   ? -23.654 19.188 8.623   1.00 63.24  ? 356 HOH A O   1 
HETATM 915 O O   . HOH B 2 .   ? -3.380  26.064 8.307   1.00 68.08  ? 357 HOH A O   1 
HETATM 916 O O   . HOH B 2 .   ? -26.952 12.403 2.407   1.00 56.69  ? 358 HOH A O   1 
HETATM 917 O O   . HOH B 2 .   ? -19.585 10.788 -13.058 1.00 79.04  ? 359 HOH A O   1 
HETATM 918 O O   . HOH B 2 .   ? -4.859  28.092 -5.182  1.00 51.92  ? 360 HOH A O   1 
HETATM 919 O O   . HOH B 2 .   ? -9.783  11.780 -8.986  1.00 59.40  ? 361 HOH A O   1 
HETATM 920 O O   . HOH B 2 .   ? -27.694 5.001  -11.299 1.00 47.96  ? 362 HOH A O   1 
HETATM 921 O O   . HOH B 2 .   ? -15.235 30.832 -3.211  1.00 35.18  ? 363 HOH A O   1 
HETATM 922 O O   . HOH B 2 .   ? -28.013 26.484 -4.285  1.00 43.09  ? 364 HOH A O   1 
HETATM 923 O O   . HOH B 2 .   ? -23.793 25.343 12.704  1.00 52.83  ? 365 HOH A O   1 
HETATM 924 O O   . HOH B 2 .   ? -16.954 11.949 8.523   1.00 48.07  ? 366 HOH A O   1 
HETATM 925 O O   . HOH B 2 .   ? -17.560 25.830 -9.683  1.00 36.43  ? 367 HOH A O   1 
HETATM 926 O O   . HOH B 2 .   ? -7.138  26.862 15.043  1.00 59.39  ? 368 HOH A O   1 
HETATM 927 O O   . HOH B 2 .   ? -5.195  29.474 13.435  1.00 49.28  ? 369 HOH A O   1 
HETATM 928 O O   . HOH B 2 .   ? -27.181 29.032 3.165   1.00 43.93  ? 370 HOH A O   1 
HETATM 929 O O   . HOH B 2 .   ? -19.054 6.906  -4.967  1.00 33.40  ? 371 HOH A O   1 
HETATM 930 O O   . HOH B 2 .   ? -13.091 19.155 13.281  1.00 43.43  ? 372 HOH A O   1 
HETATM 931 O O   . HOH B 2 .   ? -11.164 7.368  -3.613  1.00 30.29  ? 373 HOH A O   1 
HETATM 932 O O   . HOH B 2 .   ? -16.429 16.427 -12.389 1.00 29.99  ? 374 HOH A O   1 
HETATM 933 O O   . HOH B 2 .   ? -6.122  11.268 7.926   1.00 35.32  ? 375 HOH A O   1 
HETATM 934 O O   . HOH B 2 .   ? -23.357 8.455  3.640   1.00 41.61  ? 376 HOH A O   1 
HETATM 935 O O   . HOH B 2 .   ? -13.935 17.082 -15.914 1.00 51.07  ? 377 HOH A O   1 
HETATM 936 O O   . HOH B 2 .   ? -12.458 15.834 -14.462 1.00 42.90  ? 378 HOH A O   1 
HETATM 937 O O   . HOH B 2 .   ? -23.942 25.602 15.335  1.00 44.67  ? 379 HOH A O   1 
HETATM 938 O O   . HOH B 2 .   ? -30.906 15.877 -9.573  1.00 50.35  ? 380 HOH A O   1 
HETATM 939 O O   . HOH B 2 .   ? -18.051 12.039 5.579   1.00 48.15  ? 381 HOH A O   1 
HETATM 940 O O   . HOH B 2 .   ? -10.644 12.480 -12.559 1.00 49.62  ? 382 HOH A O   1 
HETATM 941 O O   . HOH B 2 .   ? -7.296  10.089 5.345   1.00 41.18  ? 383 HOH A O   1 
HETATM 942 O O   . HOH B 2 .   ? -24.815 29.355 4.717   1.00 33.29  ? 384 HOH A O   1 
HETATM 943 O O   . HOH B 2 .   ? -7.014  15.848 12.320  1.00 54.38  ? 385 HOH A O   1 
HETATM 944 O O   . HOH B 2 .   ? -15.353 28.683 10.770  1.00 30.00  ? 386 HOH A O   1 
HETATM 945 O O   . HOH B 2 .   ? -22.366 13.335 3.403   1.00 45.42  ? 387 HOH A O   1 
HETATM 946 O O   . HOH B 2 .   ? -9.181  26.291 -13.968 1.00 90.83  ? 388 HOH A O   1 
HETATM 947 O O   . HOH B 2 .   ? -17.282 5.687  -6.424  1.00 36.62  ? 389 HOH A O   1 
HETATM 948 O O   . HOH B 2 .   ? -8.944  6.481  -4.780  1.00 62.43  ? 390 HOH A O   1 
HETATM 949 O O   . HOH B 2 .   ? -1.950  14.550 2.695   1.00 33.63  ? 391 HOH A O   1 
HETATM 950 O O   . HOH B 2 .   ? -1.907  20.804 0.914   1.00 57.06  ? 392 HOH A O   1 
HETATM 951 O O   . HOH B 2 .   ? 0.248   29.166 1.071   1.00 59.29  ? 393 HOH A O   1 
HETATM 952 O O   . HOH B 2 .   ? -29.561 24.434 5.033   1.00 46.34  ? 394 HOH A O   1 
HETATM 953 O O   . HOH B 2 .   ? -8.683  4.950  5.269   1.00 69.44  ? 395 HOH A O   1 
HETATM 954 O O   . HOH B 2 .   ? -14.899 1.202  -1.328  1.00 25.16  ? 396 HOH A O   1 
HETATM 955 O O   . HOH B 2 .   ? -17.761 16.108 -15.179 1.00 71.27  ? 397 HOH A O   1 
HETATM 956 O O   . HOH B 2 .   ? -1.772  11.816 1.314   1.00 45.86  ? 398 HOH A O   1 
HETATM 957 O O   . HOH B 2 .   ? -20.926 12.546 5.125   1.00 52.43  ? 399 HOH A O   1 
HETATM 958 O O   . HOH B 2 .   ? -8.666  32.459 3.487   1.00 55.61  ? 400 HOH A O   1 
HETATM 959 O O   . HOH B 2 .   ? -20.186 23.819 -13.617 1.00 42.54  ? 401 HOH A O   1 
HETATM 960 O O   . HOH B 2 .   ? -25.218 4.494  -9.776  1.00 88.82  ? 402 HOH A O   1 
HETATM 961 O O   . HOH B 2 .   ? -11.234 8.797  -7.976  1.00 45.99  ? 403 HOH A O   1 
HETATM 962 O O   . HOH B 2 .   ? -7.661  9.178  -0.345  1.00 49.49  ? 404 HOH A O   1 
HETATM 963 O O   . HOH B 2 .   ? -0.287  14.178 4.708   1.00 48.34  ? 405 HOH A O   1 
HETATM 964 O O   . HOH B 2 .   ? -15.973 10.704 4.880   1.00 61.43  ? 406 HOH A O   1 
HETATM 965 O O   . HOH B 2 .   ? -4.515  10.006 0.842   1.00 66.50  ? 407 HOH A O   1 
HETATM 966 O O   . HOH B 2 .   ? -16.611 8.360  6.961   1.00 51.60  ? 408 HOH A O   1 
HETATM 967 O O   . HOH B 2 .   ? -9.022  24.885 16.024  1.00 61.05  ? 409 HOH A O   1 
HETATM 968 O O   . HOH B 2 .   ? -17.822 22.367 -15.987 1.00 59.10  ? 410 HOH A O   1 
HETATM 969 O O   . HOH B 2 .   ? -3.550  10.663 8.502   1.00 57.53  ? 411 HOH A O   1 
HETATM 970 O O   . HOH B 2 .   ? -18.784 27.216 -11.631 1.00 33.10  ? 412 HOH A O   1 
HETATM 971 O O   . HOH B 2 .   ? -23.395 33.056 -5.327  1.00 51.44  ? 413 HOH A O   1 
HETATM 972 O O   . HOH B 2 .   ? -14.104 7.803  8.995   1.00 47.06  ? 414 HOH A O   1 
HETATM 973 O O   . HOH B 2 .   ? -28.716 27.271 -7.271  1.00 64.47  ? 415 HOH A O   1 
HETATM 974 O O   . HOH B 2 .   ? -14.698 14.384 -12.600 1.00 44.58  ? 416 HOH A O   1 
HETATM 975 O O   . HOH B 2 .   ? -27.324 23.298 -10.181 1.00 56.79  ? 417 HOH A O   1 
HETATM 976 O O   . HOH B 2 .   ? -17.630 24.626 -14.294 1.00 34.42  ? 418 HOH A O   1 
HETATM 977 O O   . HOH B 2 .   ? -5.858  8.843  3.266   1.00 63.41  ? 419 HOH A O   1 
HETATM 978 O O   . HOH B 2 .   ? -28.857 25.205 -9.966  1.00 75.02  ? 420 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   . ASP A 20  ? 1.1191 0.8359 0.9943 0.1601  -0.2135 0.0068  144 ASP A N   
2   C CA  . ASP A 20  ? 1.9075 0.7704 1.2145 -0.0219 -0.0598 0.2129  144 ASP A CA  
3   C C   . ASP A 20  ? 0.7008 1.3211 0.7137 0.1460  -0.1746 -0.2881 144 ASP A C   
4   O O   . ASP A 20  ? 0.7261 0.3563 0.6487 -0.0002 -0.0183 0.0289  144 ASP A O   
5   C CB  . ASP A 20  ? 1.7177 0.8269 1.5295 -0.2056 0.0216  0.0639  144 ASP A CB  
6   C CG  . ASP A 20  ? 2.1268 0.7014 1.4993 -0.1761 -0.2370 0.1167  144 ASP A CG  
7   O OD1 . ASP A 20  ? 0.8209 0.5909 0.6984 -0.2025 -0.1539 0.0828  144 ASP A OD1 
8   O OD2 . ASP A 20  ? 1.3468 0.6546 0.7254 -0.1029 -0.3023 0.0652  144 ASP A OD2 
9   N N   . SER A 21  ? 0.6971 0.4988 0.4359 -0.1521 0.0762  -0.0014 145 SER A N   
10  C CA  . SER A 21  ? 0.5719 0.5334 0.4391 -0.0413 0.1170  0.0770  145 SER A CA  
11  C C   . SER A 21  ? 0.4784 0.4697 0.3196 -0.1230 0.0374  -0.0451 145 SER A C   
12  O O   . SER A 21  ? 0.5290 0.3422 0.4802 -0.0665 -0.0165 -0.0340 145 SER A O   
13  C CB  . SER A 21  ? 0.5083 0.5800 0.5537 0.0525  0.1384  -0.0107 145 SER A CB  
14  O OG  . SER A 21  ? 0.6673 0.7615 0.6878 0.0217  0.0747  0.0914  145 SER A OG  
15  N N   . ILE A 22  ? 0.5411 0.3468 0.4744 0.0378  0.0368  0.0164  146 ILE A N   
16  C CA  . ILE A 22  ? 0.3645 0.4145 0.3972 0.0715  0.0397  -0.0131 146 ILE A CA  
17  C C   . ILE A 22  ? 0.3520 0.3854 0.3889 0.0390  0.0821  -0.0194 146 ILE A C   
18  O O   . ILE A 22  ? 0.3362 0.3689 0.3401 0.0385  0.0457  -0.0323 146 ILE A O   
19  C CB  . ILE A 22  ? 0.4777 0.4138 0.4566 -0.0104 0.0118  0.0842  146 ILE A CB  
20  C CG1 . ILE A 22  ? 0.5680 0.3890 0.4608 -0.0202 -0.0801 0.0126  146 ILE A CG1 
21  C CG2 . ILE A 22  ? 0.4689 0.4191 0.5455 -0.0194 0.0384  0.1151  146 ILE A CG2 
22  C CD1 . ILE A 22  ? 0.6294 0.3979 0.4964 -0.0289 0.0133  0.0185  146 ILE A CD1 
23  N N   . GLN A 23  ? 0.5311 0.3938 0.3307 0.0424  -0.0202 -0.0195 147 GLN A N   
24  C CA  . GLN A 23  ? 0.4657 0.3966 0.4218 0.0499  -0.0195 0.0438  147 GLN A CA  
25  C C   . GLN A 23  ? 0.2795 0.3301 0.3824 0.0456  0.0876  0.0238  147 GLN A C   
26  O O   . GLN A 23  ? 0.3344 0.6110 0.4172 -0.0361 0.0085  -0.0013 147 GLN A O   
27  C CB  . GLN A 23  ? 0.4473 0.4063 0.5714 0.1187  0.0999  -0.0455 147 GLN A CB  
28  C CG  . GLN A 23  ? 0.2430 0.5529 0.5296 -0.0682 0.0128  -0.1932 147 GLN A CG  
29  C CD  . GLN A 23  ? 0.6223 0.4293 0.7007 -0.0099 0.0030  -0.1019 147 GLN A CD  
30  O OE1 . GLN A 23  ? 0.4972 0.3723 0.6031 0.0402  0.0776  -0.0892 147 GLN A OE1 
31  N NE2 . GLN A 23  ? 0.4521 0.3819 0.6414 -0.0865 0.0080  -0.0516 147 GLN A NE2 
32  N N   . ALA A 24  ? 0.4498 0.4106 0.4026 0.0617  0.1068  0.0098  148 ALA A N   
33  C CA  . ALA A 24  ? 0.2567 0.3699 0.4298 -0.0294 0.0955  -0.0163 148 ALA A CA  
34  C C   . ALA A 24  ? 0.3030 0.4640 0.3554 -0.0170 0.0326  0.0793  148 ALA A C   
35  O O   . ALA A 24  ? 0.4978 0.4039 0.4951 -0.1252 0.0617  0.0803  148 ALA A O   
36  C CB  . ALA A 24  ? 0.5402 0.4195 0.3712 0.0369  0.0390  0.0397  148 ALA A CB  
37  N N   . GLU A 25  ? 0.3429 0.3418 0.3422 -0.0499 0.0293  0.0290  149 GLU A N   
38  C CA  . GLU A 25  ? 0.3469 0.2688 0.3638 -0.0688 0.0127  0.0160  149 GLU A CA  
39  C C   . GLU A 25  ? 0.3671 0.3191 0.3341 -0.0988 0.0389  0.0440  149 GLU A C   
40  O O   . GLU A 25  ? 0.3218 0.2781 0.3540 -0.0734 0.0200  0.0297  149 GLU A O   
41  C CB  . GLU A 25  ? 0.3068 0.2587 0.3870 0.0361  0.0397  -0.0093 149 GLU A CB  
42  C CG  . GLU A 25  ? 0.2743 0.3431 0.3523 -0.0290 0.0275  -0.0058 149 GLU A CG  
43  C CD  . GLU A 25  ? 0.5748 0.3844 0.4436 0.0564  0.0259  0.1132  149 GLU A CD  
44  O OE1 . GLU A 25  ? 0.5834 0.3448 0.6023 0.0732  -0.1274 0.0388  149 GLU A OE1 
45  O OE2 . GLU A 25  ? 0.5714 0.3670 0.4285 0.1077  -0.0688 0.0092  149 GLU A OE2 
46  N N   . GLU A 26  ? 0.4125 0.2686 0.3718 -0.0444 0.0376  0.0329  150 GLU A N   
47  C CA  . GLU A 26  ? 0.4592 0.3108 0.3620 -0.0401 0.0242  0.0025  150 GLU A CA  
48  C C   . GLU A 26  ? 0.3156 0.2087 0.3889 -0.0264 0.0047  0.0065  150 GLU A C   
49  O O   . GLU A 26  ? 0.3119 0.2601 0.4346 -0.0833 -0.0126 0.0429  150 GLU A O   
50  C CB  . GLU A 26  ? 0.6500 0.2879 0.4474 -0.0707 0.1016  0.0021  150 GLU A CB  
51  C CG  . GLU A 26  ? 0.9306 0.4779 0.5970 -0.0849 0.1626  0.0229  150 GLU A CG  
52  C CD  . GLU A 26  ? 1.2589 0.3196 1.0568 -0.0770 0.1394  0.0789  150 GLU A CD  
53  O OE1 . GLU A 26  ? 0.7196 0.3210 0.6398 -0.1576 -0.0494 0.0876  150 GLU A OE1 
54  O OE2 . GLU A 26  ? 1.2980 0.5098 0.8390 -0.2603 0.0768  -0.1256 150 GLU A OE2 
55  N N   . TRP A 27  ? 0.3060 0.2172 0.3661 -0.0155 0.0130  0.0112  151 TRP A N   
56  C CA  . TRP A 27  ? 0.2907 0.2167 0.3173 -0.0237 0.0282  -0.0202 151 TRP A CA  
57  C C   . TRP A 27  ? 0.2807 0.2396 0.3227 -0.0039 0.0150  0.0014  151 TRP A C   
58  O O   . TRP A 27  ? 0.2720 0.2300 0.3496 0.0017  0.0516  0.0176  151 TRP A O   
59  C CB  . TRP A 27  ? 0.2685 0.2297 0.3612 -0.0022 0.0269  -0.0137 151 TRP A CB  
60  C CG  . TRP A 27  ? 0.3333 0.2306 0.3320 -0.0106 0.0430  -0.0193 151 TRP A CG  
61  C CD1 . TRP A 27  ? 0.3657 0.2348 0.3442 0.0077  -0.0073 0.0325  151 TRP A CD1 
62  C CD2 . TRP A 27  ? 0.2720 0.2552 0.3360 -0.0419 0.0337  0.0008  151 TRP A CD2 
63  N NE1 . TRP A 27  ? 0.3116 0.2765 0.3528 0.0001  0.0067  0.0334  151 TRP A NE1 
64  C CE2 . TRP A 27  ? 0.3475 0.2470 0.3616 -0.0233 0.0366  0.0054  151 TRP A CE2 
65  C CE3 . TRP A 27  ? 0.2973 0.2553 0.4062 -0.0446 0.0620  0.0250  151 TRP A CE3 
66  C CZ2 . TRP A 27  ? 0.3473 0.3222 0.3353 -0.0594 0.0405  0.0428  151 TRP A CZ2 
67  C CZ3 . TRP A 27  ? 0.2735 0.2620 0.3737 -0.0172 0.0366  0.0425  151 TRP A CZ3 
68  C CH2 . TRP A 27  ? 0.2953 0.2474 0.3802 -0.0607 0.0206  0.0262  151 TRP A CH2 
69  N N   . TYR A 28  ? 0.2711 0.2088 0.3229 -0.0157 0.0475  0.0181  152 TYR A N   
70  C CA  . TYR A 28  ? 0.2662 0.1979 0.3346 -0.0067 0.0258  0.0198  152 TYR A CA  
71  C C   . TYR A 28  ? 0.3099 0.2498 0.3053 0.0032  0.0267  0.0100  152 TYR A C   
72  O O   . TYR A 28  ? 0.3104 0.2611 0.3728 -0.0282 0.0834  0.0374  152 TYR A O   
73  C CB  . TYR A 28  ? 0.2963 0.2195 0.3709 -0.0368 0.0190  0.0094  152 TYR A CB  
74  C CG  . TYR A 28  ? 0.3117 0.2415 0.3261 -0.0301 0.0488  -0.0360 152 TYR A CG  
75  C CD1 . TYR A 28  ? 0.3258 0.2375 0.4140 -0.0626 0.0689  -0.0002 152 TYR A CD1 
76  C CD2 . TYR A 28  ? 0.3028 0.2698 0.3563 -0.0255 0.0855  -0.0812 152 TYR A CD2 
77  C CE1 . TYR A 28  ? 0.5061 0.2028 0.4693 -0.0994 0.0333  -0.0021 152 TYR A CE1 
78  C CE2 . TYR A 28  ? 0.3223 0.2623 0.4032 0.0498  -0.0129 -0.1182 152 TYR A CE2 
79  C CZ  . TYR A 28  ? 0.4100 0.3331 0.4596 -0.1050 -0.0068 0.0041  152 TYR A CZ  
80  O OH  . TYR A 28  ? 0.5718 0.2215 0.5615 0.0091  -0.0831 -0.0041 152 TYR A OH  
81  N N   . PHE A 29  ? 0.2444 0.3244 0.3328 -0.0446 0.0237  0.0044  153 PHE A N   
82  C CA  . PHE A 29  ? 0.2337 0.2419 0.3708 -0.0431 0.0141  0.0604  153 PHE A CA  
83  C C   . PHE A 29  ? 0.2924 0.2504 0.3551 -0.0291 0.0205  0.0039  153 PHE A C   
84  O O   . PHE A 29  ? 0.2516 0.3287 0.4295 -0.0201 0.0356  -0.0310 153 PHE A O   
85  C CB  . PHE A 29  ? 0.2647 0.2835 0.3447 -0.0371 0.0219  0.0364  153 PHE A CB  
86  C CG  . PHE A 29  ? 0.2555 0.3056 0.3872 -0.0094 0.0329  0.0330  153 PHE A CG  
87  C CD1 . PHE A 29  ? 0.3309 0.2233 0.3768 -0.0348 0.0096  0.0105  153 PHE A CD1 
88  C CD2 . PHE A 29  ? 0.3296 0.2564 0.5173 -0.0417 -0.0547 0.0198  153 PHE A CD2 
89  C CE1 . PHE A 29  ? 0.2718 0.3203 0.3903 -0.0261 -0.0161 0.0517  153 PHE A CE1 
90  C CE2 . PHE A 29  ? 0.3721 0.2983 0.5239 -0.0274 -0.0526 0.0257  153 PHE A CE2 
91  C CZ  . PHE A 29  ? 0.3566 0.2866 0.4513 -0.0752 -0.0005 -0.0115 153 PHE A CZ  
92  N N   . GLY A 30  ? 0.2212 0.2911 0.3800 -0.0225 0.0475  -0.0061 154 GLY A N   
93  C CA  . GLY A 30  ? 0.1966 0.3578 0.3882 -0.0076 0.0581  0.0181  154 GLY A CA  
94  C C   . GLY A 30  ? 0.2512 0.2830 0.3730 -0.0125 0.0301  -0.0082 154 GLY A C   
95  O O   . GLY A 30  ? 0.2436 0.3042 0.4185 -0.0045 0.0654  0.0222  154 GLY A O   
96  N N   . LYS A 31  ? 0.1802 0.2443 0.4935 -0.0108 0.0786  -0.0045 155 LYS A N   
97  C CA  A LYS A 31  ? 0.2476 0.2747 0.4871 0.0107  0.0253  0.0753  155 LYS A CA  
98  C CA  B LYS A 31  ? 0.2586 0.2708 0.4842 0.0118  0.0258  0.0754  155 LYS A CA  
99  C C   . LYS A 31  ? 0.2600 0.3008 0.5075 0.0378  0.0463  -0.0580 155 LYS A C   
100 O O   . LYS A 31  ? 0.3181 0.6474 0.6221 0.0849  -0.0092 -0.0433 155 LYS A O   
101 C CB  A LYS A 31  ? 0.2957 0.3046 0.5805 0.0723  0.0638  0.0222  155 LYS A CB  
102 C CB  B LYS A 31  ? 0.3208 0.3012 0.5790 0.0570  0.0636  0.0202  155 LYS A CB  
103 C CG  A LYS A 31  ? 0.2868 0.3555 0.6572 0.0464  0.0438  -0.0213 155 LYS A CG  
104 C CG  B LYS A 31  ? 0.5719 0.3479 0.6548 -0.0124 0.0326  0.0363  155 LYS A CG  
105 C CD  A LYS A 31  ? 0.3966 0.4936 0.7405 0.0765  0.1605  -0.0075 155 LYS A CD  
106 C CD  B LYS A 31  ? 0.4487 0.4263 0.8149 0.0456  -0.0295 -0.0280 155 LYS A CD  
107 C CE  A LYS A 31  ? 0.6174 0.3917 0.6741 -0.0166 0.1300  -0.0905 155 LYS A CE  
108 C CE  B LYS A 31  ? 0.7440 0.3292 0.7683 -0.0158 0.0151  0.0452  155 LYS A CE  
109 N NZ  A LYS A 31  ? 0.4229 0.3835 0.6818 -0.0642 0.1924  -0.0323 155 LYS A NZ  
110 N NZ  B LYS A 31  ? 0.8217 0.3192 0.8261 -0.0798 0.0872  0.0297  155 LYS A NZ  
111 N N   . ILE A 32  ? 0.2746 0.3379 0.4548 0.0833  -0.0326 0.0241  156 ILE A N   
112 C CA  . ILE A 32  ? 0.1694 0.4038 0.4513 0.0549  -0.0548 0.0280  156 ILE A CA  
113 C C   . ILE A 32  ? 0.3316 0.3413 0.4213 -0.0136 0.0249  -0.0543 156 ILE A C   
114 O O   . ILE A 32  ? 0.2848 0.3605 0.5228 -0.0105 -0.0664 0.0337  156 ILE A O   
115 C CB  . ILE A 32  ? 0.3067 0.3908 0.4244 0.0585  0.0028  0.0582  156 ILE A CB  
116 C CG1 . ILE A 32  ? 0.2355 0.3315 0.4601 0.0549  -0.0070 -0.0005 156 ILE A CG1 
117 C CG2 . ILE A 32  ? 0.3629 0.2928 0.4798 -0.0231 0.0216  0.0398  156 ILE A CG2 
118 C CD1 . ILE A 32  ? 0.3463 0.3252 0.4561 0.0853  -0.0037 0.0161  156 ILE A CD1 
119 N N   . THR A 33  ? 0.2674 0.3177 0.4487 0.0036  -0.0238 -0.0131 157 THR A N   
120 C CA  . THR A 33  ? 0.3603 0.3590 0.4402 -0.0275 0.0362  0.0016  157 THR A CA  
121 C C   . THR A 33  ? 0.3332 0.3308 0.4091 -0.0190 -0.0447 0.0527  157 THR A C   
122 O O   . THR A 33  ? 0.2648 0.3052 0.4364 -0.0229 0.0205  0.0350  157 THR A O   
123 C CB  . THR A 33  ? 0.3115 0.3743 0.4794 0.0201  -0.0508 0.1119  157 THR A CB  
124 O OG1 . THR A 33  ? 0.3311 0.3698 0.5475 0.0376  -0.0414 0.0323  157 THR A OG1 
125 C CG2 . THR A 33  ? 0.3177 0.3393 0.6608 0.0082  -0.0186 0.0416  157 THR A CG2 
126 N N   . ARG A 34  ? 0.3476 0.2864 0.4960 -0.0539 0.0148  0.0072  158 ARG A N   
127 C CA  . ARG A 34  ? 0.2950 0.3143 0.3705 -0.0241 -0.0090 0.0527  158 ARG A CA  
128 C C   . ARG A 34  ? 0.3440 0.3091 0.4016 -0.0978 -0.0507 0.0637  158 ARG A C   
129 O O   . ARG A 34  ? 0.3165 0.2964 0.4117 -0.0272 0.0083  0.0527  158 ARG A O   
130 C CB  . ARG A 34  ? 0.2955 0.3117 0.5172 -0.0618 -0.0411 0.1228  158 ARG A CB  
131 C CG  . ARG A 34  ? 0.3123 0.4161 0.4986 0.0469  0.0617  0.1213  158 ARG A CG  
132 C CD  . ARG A 34  ? 0.3806 0.4137 0.5130 -0.0576 0.0444  0.0253  158 ARG A CD  
133 N NE  . ARG A 34  ? 0.4474 0.4086 0.7697 0.0160  0.0792  0.1213  158 ARG A NE  
134 C CZ  . ARG A 34  ? 0.8566 0.6773 0.8675 0.1494  0.1834  -0.0119 158 ARG A CZ  
135 N NH1 . ARG A 34  ? 0.8533 0.5744 0.6729 0.1386  0.3401  0.1490  158 ARG A NH1 
136 N NH2 . ARG A 34  ? 0.8169 0.3652 0.6168 0.0892  0.2399  0.1493  158 ARG A NH2 
137 N N   . ARG A 35  ? 0.3505 0.3408 0.4158 0.0575  -0.0608 0.0539  159 ARG A N   
138 C CA  . ARG A 35  ? 0.4014 0.3715 0.3835 -0.0185 -0.0211 0.0699  159 ARG A CA  
139 C C   . ARG A 35  ? 0.3649 0.3493 0.3904 0.0344  -0.1048 0.0468  159 ARG A C   
140 O O   . ARG A 35  ? 0.3069 0.3962 0.4351 0.0088  -0.0561 -0.0101 159 ARG A O   
141 C CB  . ARG A 35  ? 0.5044 0.3958 0.5350 0.1427  -0.0456 0.1389  159 ARG A CB  
142 C CG  . ARG A 35  ? 0.5698 0.6065 0.7182 -0.0433 -0.2424 0.0309  159 ARG A CG  
143 N N   . GLU A 36  ? 0.3163 0.3426 0.4903 -0.0291 -0.0894 0.0474  160 GLU A N   
144 C CA  . GLU A 36  ? 0.2692 0.2973 0.5127 -0.0047 -0.0761 0.0118  160 GLU A CA  
145 C C   . GLU A 36  ? 0.3621 0.3036 0.4149 -0.0110 -0.0614 0.0519  160 GLU A C   
146 O O   . GLU A 36  ? 0.3237 0.3325 0.4983 -0.0017 0.0060  -0.0076 160 GLU A O   
147 C CB  . GLU A 36  ? 0.2588 0.4352 0.4985 0.0351  -0.0067 -0.0090 160 GLU A CB  
148 C CG  . GLU A 36  ? 0.3922 0.4707 0.6548 -0.0221 0.0429  0.0055  160 GLU A CG  
149 C CD  . GLU A 36  ? 0.4745 0.5272 0.6816 0.0135  0.1050  0.0546  160 GLU A CD  
150 O OE1 . GLU A 36  ? 0.4267 0.7573 0.7379 -0.1876 0.0370  -0.0006 160 GLU A OE1 
151 O OE2 . GLU A 36  ? 0.5181 0.5531 0.9030 -0.1808 -0.0182 0.1880  160 GLU A OE2 
152 N N   . SER A 37  ? 0.2776 0.3109 0.4533 -0.0584 -0.0452 0.0197  161 SER A N   
153 C CA  . SER A 37  ? 0.2831 0.3443 0.3442 0.0124  -0.0029 0.0230  161 SER A CA  
154 C C   . SER A 37  ? 0.2702 0.3202 0.3855 0.0367  -0.0499 0.0590  161 SER A C   
155 O O   . SER A 37  ? 0.3188 0.2872 0.4554 0.0201  -0.0453 0.0190  161 SER A O   
156 C CB  . SER A 37  ? 0.3173 0.3271 0.4018 -0.0244 -0.0384 0.0684  161 SER A CB  
157 O OG  . SER A 37  ? 0.3181 0.3242 0.4280 -0.0199 -0.0149 0.0381  161 SER A OG  
158 N N   . GLU A 38  ? 0.2772 0.2909 0.4212 0.0344  -0.0566 0.0265  162 GLU A N   
159 C CA  . GLU A 38  ? 0.3237 0.3342 0.4075 0.0353  -0.0215 0.0074  162 GLU A CA  
160 C C   . GLU A 38  ? 0.3322 0.4016 0.3973 -0.0216 -0.0515 -0.0346 162 GLU A C   
161 O O   . GLU A 38  ? 0.4507 0.3854 0.4517 -0.0103 -0.0480 -0.0451 162 GLU A O   
162 C CB  . GLU A 38  ? 0.3316 0.3687 0.3624 0.0166  -0.0685 0.0114  162 GLU A CB  
163 C CG  . GLU A 38  ? 0.2740 0.4597 0.3705 -0.0054 -0.0461 0.0092  162 GLU A CG  
164 C CD  . GLU A 38  ? 0.5402 0.6597 0.4087 -0.1463 -0.0056 0.1004  162 GLU A CD  
165 O OE1 . GLU A 38  ? 0.5040 0.5393 0.3933 -0.0848 -0.0421 0.0832  162 GLU A OE1 
166 O OE2 . GLU A 38  ? 0.5832 0.8886 0.4956 -0.2751 -0.1588 0.1802  162 GLU A OE2 
167 N N   . ARG A 39  ? 0.2790 0.3511 0.5189 0.0229  -0.0324 -0.0056 163 ARG A N   
168 C CA  . ARG A 39  ? 0.3195 0.4674 0.5724 -0.0775 -0.0820 -0.0991 163 ARG A CA  
169 C C   . ARG A 39  ? 0.3417 0.5416 0.5548 -0.0852 -0.0713 -0.0032 163 ARG A C   
170 O O   . ARG A 39  ? 0.4764 0.3170 0.6413 -0.0281 -0.0718 -0.0299 163 ARG A O   
171 C CB  . ARG A 39  ? 0.2966 0.4401 0.6462 -0.0768 -0.0206 -0.0173 163 ARG A CB  
172 C CG  . ARG A 39  ? 0.4567 0.4198 0.8199 -0.0828 -0.1230 -0.1323 163 ARG A CG  
173 C CD  . ARG A 39  ? 0.5546 0.6874 0.7841 -0.0739 0.0317  -0.1134 163 ARG A CD  
174 N NE  . ARG A 39  ? 0.4063 0.5881 0.8441 -0.0731 -0.1174 -0.0307 163 ARG A NE  
175 C CZ  . ARG A 39  ? 0.6461 0.6161 0.7703 0.0148  0.0908  0.0029  163 ARG A CZ  
176 N NH1 . ARG A 39  ? 0.7321 0.4090 1.0541 -0.0375 0.0265  -0.0789 163 ARG A NH1 
177 N NH2 . ARG A 39  ? 0.5348 0.3779 0.9776 -0.0572 0.1590  0.0235  163 ARG A NH2 
178 N N   . LEU A 40  ? 0.4000 0.3791 0.4632 -0.0857 -0.0270 -0.0011 164 LEU A N   
179 C CA  . LEU A 40  ? 0.3414 0.3759 0.5582 -0.0873 -0.0125 0.0501  164 LEU A CA  
180 C C   . LEU A 40  ? 0.5454 0.5340 0.5876 -0.0283 -0.0552 0.0834  164 LEU A C   
181 O O   . LEU A 40  ? 0.3972 0.4450 0.6811 0.0092  -0.0547 -0.0343 164 LEU A O   
182 C CB  . LEU A 40  ? 0.3740 0.3576 0.5344 -0.0453 0.0503  0.0054  164 LEU A CB  
183 C CG  . LEU A 40  ? 0.3520 0.3478 0.6520 -0.0712 0.0065  0.0918  164 LEU A CG  
184 C CD1 . LEU A 40  ? 0.3248 0.7220 0.6382 -0.0422 0.0248  0.0440  164 LEU A CD1 
185 C CD2 . LEU A 40  ? 0.5610 0.5344 0.8530 -0.0706 0.0433  0.0607  164 LEU A CD2 
186 N N   . LEU A 41  ? 0.4155 0.2456 0.4311 -0.0268 -0.0508 -0.0076 165 LEU A N   
187 C CA  . LEU A 41  ? 0.3856 0.3294 0.4152 0.0712  -0.0713 -0.0111 165 LEU A CA  
188 C C   . LEU A 41  ? 0.5806 0.3863 0.3968 0.0802  -0.1449 -0.1025 165 LEU A C   
189 O O   . LEU A 41  ? 0.5427 0.3130 0.4263 0.0242  -0.0963 -0.0455 165 LEU A O   
190 C CB  . LEU A 41  ? 0.3525 0.3472 0.3215 0.0330  -0.0310 0.0138  165 LEU A CB  
191 C CG  . LEU A 41  ? 0.3142 0.2702 0.3353 0.0119  -0.0217 0.0280  165 LEU A CG  
192 C CD1 . LEU A 41  ? 0.2943 0.3284 0.3765 -0.0233 0.0102  0.0162  165 LEU A CD1 
193 C CD2 . LEU A 41  ? 0.4201 0.2919 0.3868 -0.0353 -0.0537 -0.0223 165 LEU A CD2 
194 N N   . LEU A 42  ? 0.4336 0.4229 0.4121 0.1036  -0.1081 -0.0603 166 LEU A N   
195 C CA  . LEU A 42  ? 0.5947 0.4108 0.4007 0.0815  -0.0728 -0.1144 166 LEU A CA  
196 C C   . LEU A 42  ? 0.4401 0.5180 0.4021 0.0637  -0.0812 -0.0438 166 LEU A C   
197 O O   . LEU A 42  ? 0.5696 0.4137 0.4325 0.0580  -0.0479 -0.0749 166 LEU A O   
198 C CB  . LEU A 42  ? 0.5638 0.4478 0.4717 0.0791  -0.0177 -0.0027 166 LEU A CB  
199 C CG  . LEU A 42  ? 0.5223 0.5789 0.4900 0.1086  0.0391  -0.0735 166 LEU A CG  
200 C CD1 . LEU A 42  ? 0.6264 0.5249 0.4260 -0.0156 -0.1236 -0.0699 166 LEU A CD1 
201 C CD2 . LEU A 42  ? 0.6281 0.5037 0.4160 0.0563  0.0218  -0.0690 166 LEU A CD2 
202 N N   . ASN A 43  ? 0.5481 0.4858 0.4837 -0.0082 -0.1246 -0.0302 167 ASN A N   
203 C CA  . ASN A 43  ? 0.5061 0.4421 0.7058 0.0074  0.0010  -0.1901 167 ASN A CA  
204 C C   . ASN A 43  ? 0.5485 0.4607 0.5815 0.0212  -0.0214 -0.2174 167 ASN A C   
205 O O   . ASN A 43  ? 0.4451 0.4536 0.4420 -0.0005 -0.0166 -0.0814 167 ASN A O   
206 C CB  . ASN A 43  ? 0.4617 0.4987 0.7693 0.1287  -0.0122 -0.0657 167 ASN A CB  
207 C CG  . ASN A 43  ? 0.5372 0.7699 0.7791 -0.0313 -0.0136 -0.2193 167 ASN A CG  
208 O OD1 . ASN A 43  ? 0.4093 0.5406 0.7945 -0.0675 -0.0342 -0.2346 167 ASN A OD1 
209 N ND2 . ASN A 43  ? 0.5893 0.9080 0.9539 -0.1593 0.0807  -0.5753 167 ASN A ND2 
210 N N   . ALA A 44  ? 0.4744 0.4759 0.4752 0.0060  -0.0697 -0.1320 168 ALA A N   
211 C CA  . ALA A 44  ? 0.3996 0.4030 0.4341 0.0005  0.0125  -0.1011 168 ALA A CA  
212 C C   . ALA A 44  ? 0.3718 0.3881 0.3966 -0.0871 -0.0374 -0.0672 168 ALA A C   
213 O O   . ALA A 44  ? 0.4523 0.4094 0.4562 -0.0121 0.0759  -0.0757 168 ALA A O   
214 C CB  . ALA A 44  ? 0.4176 0.5935 0.4152 -0.0117 -0.0380 -0.1153 168 ALA A CB  
215 N N   . GLU A 45  ? 0.5311 0.3330 0.4388 -0.0325 0.0446  -0.0517 169 GLU A N   
216 C CA  . GLU A 45  ? 0.4348 0.3489 0.5918 -0.0170 0.0086  -0.0410 169 GLU A CA  
217 C C   . GLU A 45  ? 0.5667 0.3706 0.5311 0.0496  0.0964  -0.0136 169 GLU A C   
218 O O   . GLU A 45  ? 0.4844 0.3635 0.5478 0.0132  0.0555  -0.0370 169 GLU A O   
219 C CB  . GLU A 45  ? 0.4546 0.7027 0.5501 -0.1889 0.0736  0.0409  169 GLU A CB  
220 C CG  . GLU A 45  ? 0.5830 1.0111 0.7174 -0.1284 0.0865  -0.0884 169 GLU A CG  
221 C CD  . GLU A 45  ? 0.6621 1.2196 0.5782 -0.2772 -0.1166 -0.0123 169 GLU A CD  
222 O OE1 . GLU A 45  ? 0.9477 1.7304 0.7531 -0.3869 -0.0446 0.2766  169 GLU A OE1 
223 O OE2 . GLU A 45  ? 0.6379 1.3928 1.0799 -0.0522 -0.1403 -0.0073 169 GLU A OE2 
224 N N   . ASN A 46  ? 0.4567 0.2871 0.4406 0.0326  0.0162  -0.0356 170 ASN A N   
225 C CA  . ASN A 46  ? 0.4347 0.2796 0.3952 -0.0031 -0.0082 -0.0256 170 ASN A CA  
226 C C   . ASN A 46  ? 0.5349 0.2630 0.3914 0.0522  -0.0200 -0.0747 170 ASN A C   
227 O O   . ASN A 46  ? 0.4686 0.3188 0.3850 -0.0029 -0.0316 -0.0585 170 ASN A O   
228 C CB  . ASN A 46  ? 0.5301 0.3220 0.3554 0.0371  -0.0597 -0.0650 170 ASN A CB  
229 C CG  . ASN A 46  ? 0.3920 0.2478 0.4637 0.0034  0.0593  -0.0651 170 ASN A CG  
230 O OD1 . ASN A 46  ? 0.4242 0.4418 0.5516 -0.0832 0.0407  -0.0181 170 ASN A OD1 
231 N ND2 . ASN A 46  ? 0.6652 0.2879 0.5375 0.0742  -0.1681 -0.0601 170 ASN A ND2 
232 N N   . PRO A 47  ? 0.4834 0.2138 0.4184 0.0225  0.0372  -0.0325 171 PRO A N   
233 C CA  . PRO A 47  ? 0.4770 0.3085 0.3557 -0.0163 0.0033  -0.0595 171 PRO A CA  
234 C C   . PRO A 47  ? 0.4314 0.3600 0.3663 -0.0237 0.0545  -0.0274 171 PRO A C   
235 O O   . PRO A 47  ? 0.4909 0.2833 0.3457 0.0771  -0.0108 -0.0499 171 PRO A O   
236 C CB  . PRO A 47  ? 0.4531 0.2190 0.3848 0.0352  -0.0239 -0.0064 171 PRO A CB  
237 C CG  . PRO A 47  ? 0.5316 0.2733 0.4215 -0.0281 -0.0097 -0.0311 171 PRO A CG  
238 C CD  . PRO A 47  ? 0.4492 0.3036 0.3944 -0.0099 -0.0402 -0.0374 171 PRO A CD  
239 N N   . ARG A 48  ? 0.4992 0.2216 0.3761 0.0281  -0.0380 -0.0341 172 ARG A N   
240 C CA  . ARG A 48  ? 0.4285 0.1709 0.3927 0.0219  -0.0152 -0.0222 172 ARG A CA  
241 C C   . ARG A 48  ? 0.4870 0.2877 0.3057 -0.0022 -0.0005 -0.0361 172 ARG A C   
242 O O   . ARG A 48  ? 0.4245 0.2561 0.3797 0.0684  0.0347  -0.0209 172 ARG A O   
243 C CB  . ARG A 48  ? 0.4635 0.2894 0.3979 0.0186  0.0402  -0.0334 172 ARG A CB  
244 C CG  . ARG A 48  ? 0.6012 0.2849 0.4212 -0.0442 0.0341  -0.0523 172 ARG A CG  
245 C CD  . ARG A 48  ? 0.6381 0.3040 0.4500 -0.0575 -0.0176 0.0799  172 ARG A CD  
246 N NE  . ARG A 48  ? 0.4087 0.3800 0.3528 0.0230  0.0354  -0.0196 172 ARG A NE  
247 C CZ  . ARG A 48  ? 0.4151 0.4803 0.3806 0.0072  0.1399  -0.0050 172 ARG A CZ  
248 N NH1 . ARG A 48  ? 0.5829 0.4232 0.4420 0.0955  0.0891  0.0050  172 ARG A NH1 
249 N NH2 . ARG A 48  ? 0.5815 0.3530 0.5624 -0.1573 0.0324  0.0063  172 ARG A NH2 
250 N N   . GLY A 49  ? 0.4394 0.2196 0.3811 -0.0111 0.0127  -0.0413 173 GLY A N   
251 C CA  . GLY A 49  ? 0.3756 0.3169 0.3559 0.0762  -0.0092 -0.0091 173 GLY A CA  
252 C C   . GLY A 49  ? 0.3449 0.2099 0.3628 0.0256  -0.0082 -0.0189 173 GLY A C   
253 O O   . GLY A 49  ? 0.4313 0.2494 0.3159 0.0649  -0.0139 -0.0143 173 GLY A O   
254 N N   . THR A 50  ? 0.3612 0.2271 0.3196 0.0294  -0.0009 -0.0274 174 THR A N   
255 C CA  . THR A 50  ? 0.4192 0.2288 0.3318 0.0246  0.0459  -0.0308 174 THR A CA  
256 C C   . THR A 50  ? 0.3392 0.2298 0.3044 0.0293  -0.0260 -0.0074 174 THR A C   
257 O O   . THR A 50  ? 0.4267 0.2222 0.2860 -0.0016 0.0133  -0.0048 174 THR A O   
258 C CB  . THR A 50  ? 0.4286 0.2269 0.3794 -0.0010 -0.0107 -0.0258 174 THR A CB  
259 O OG1 . THR A 50  ? 0.4504 0.2183 0.3756 -0.0134 -0.0408 -0.0269 174 THR A OG1 
260 C CG2 . THR A 50  ? 0.4269 0.2008 0.3452 -0.0204 -0.0190 -0.0332 174 THR A CG2 
261 N N   . PHE A 51  ? 0.3639 0.2244 0.3039 0.0115  -0.0035 -0.0102 175 PHE A N   
262 C CA  . PHE A 51  ? 0.3435 0.2415 0.2747 0.0030  -0.0027 0.0064  175 PHE A CA  
263 C C   . PHE A 51  ? 0.3035 0.1988 0.3185 -0.0206 0.0116  -0.0285 175 PHE A C   
264 O O   . PHE A 51  ? 0.3054 0.2149 0.3138 -0.0179 0.0049  0.0039  175 PHE A O   
265 C CB  . PHE A 51  ? 0.2904 0.1710 0.3452 0.0261  -0.0009 -0.0052 175 PHE A CB  
266 C CG  . PHE A 51  ? 0.3142 0.2051 0.3039 0.0277  0.0112  0.0214  175 PHE A CG  
267 C CD1 . PHE A 51  ? 0.3283 0.2488 0.3196 0.0063  -0.0036 0.0089  175 PHE A CD1 
268 C CD2 . PHE A 51  ? 0.2891 0.2197 0.3131 0.0299  0.0209  -0.0247 175 PHE A CD2 
269 C CE1 . PHE A 51  ? 0.3513 0.2260 0.3106 -0.0397 -0.0058 0.0475  175 PHE A CE1 
270 C CE2 . PHE A 51  ? 0.3166 0.2331 0.3082 0.0262  0.0000  -0.0203 175 PHE A CE2 
271 C CZ  . PHE A 51  ? 0.2888 0.3073 0.3120 0.0118  0.0182  -0.0069 175 PHE A CZ  
272 N N   . LEU A 52  ? 0.3053 0.1916 0.3143 -0.0343 -0.0056 0.0075  176 LEU A N   
273 C CA  . LEU A 52  ? 0.2936 0.1922 0.2861 -0.0297 0.0105  -0.0264 176 LEU A CA  
274 C C   . LEU A 52  ? 0.2491 0.2248 0.2839 0.0032  0.0049  -0.0084 176 LEU A C   
275 O O   . LEU A 52  ? 0.2702 0.2087 0.3133 0.0017  0.0473  -0.0034 176 LEU A O   
276 C CB  . LEU A 52  ? 0.2319 0.2088 0.3266 -0.0336 0.0175  -0.0016 176 LEU A CB  
277 C CG  . LEU A 52  ? 0.2493 0.2152 0.3179 -0.0080 0.0253  -0.0367 176 LEU A CG  
278 C CD1 . LEU A 52  ? 0.2684 0.2505 0.3169 0.0360  -0.0102 0.0072  176 LEU A CD1 
279 C CD2 . LEU A 52  ? 0.3259 0.2416 0.3862 0.0154  -0.0549 -0.0170 176 LEU A CD2 
280 N N   . VAL A 53  ? 0.2741 0.2026 0.3057 -0.0216 0.0473  0.0053  177 VAL A N   
281 C CA  . VAL A 53  ? 0.2535 0.1572 0.3104 -0.0156 0.0356  -0.0034 177 VAL A CA  
282 C C   . VAL A 53  ? 0.2562 0.1640 0.3442 -0.0266 0.0483  0.0001  177 VAL A C   
283 O O   . VAL A 53  ? 0.2382 0.2088 0.3397 -0.0404 0.0399  0.0081  177 VAL A O   
284 C CB  . VAL A 53  ? 0.2696 0.2196 0.2786 -0.0226 0.0280  -0.0142 177 VAL A CB  
285 C CG1 . VAL A 53  ? 0.3071 0.2173 0.3508 -0.0298 0.0153  -0.0189 177 VAL A CG1 
286 C CG2 . VAL A 53  ? 0.2474 0.2198 0.3353 -0.0179 0.0019  -0.0228 177 VAL A CG2 
287 N N   . ARG A 54  ? 0.2037 0.1993 0.3794 -0.0336 0.0462  0.0013  178 ARG A N   
288 C CA  . ARG A 54  ? 0.2273 0.1993 0.3677 0.0022  0.0671  -0.0062 178 ARG A CA  
289 C C   . ARG A 54  ? 0.2415 0.2056 0.3474 -0.0032 0.0345  -0.0108 178 ARG A C   
290 O O   . ARG A 54  ? 0.2241 0.2184 0.3965 -0.0129 0.0503  0.0081  178 ARG A O   
291 C CB  . ARG A 54  ? 0.2469 0.2074 0.3798 -0.0001 0.0466  -0.0247 178 ARG A CB  
292 C CG  . ARG A 54  ? 0.2786 0.2225 0.3640 -0.0353 0.0685  -0.0063 178 ARG A CG  
293 C CD  . ARG A 54  ? 0.2591 0.2248 0.3607 -0.0078 0.0430  -0.0010 178 ARG A CD  
294 N NE  . ARG A 54  ? 0.2805 0.1866 0.4221 -0.0275 0.0332  0.0076  178 ARG A NE  
295 C CZ  . ARG A 54  ? 0.3311 0.2149 0.3319 -0.0152 0.0299  -0.0363 178 ARG A CZ  
296 N NH1 . ARG A 54  ? 0.3051 0.2808 0.3689 0.0093  0.0411  0.0131  178 ARG A NH1 
297 N NH2 . ARG A 54  ? 0.2668 0.2398 0.4482 -0.0321 0.0286  -0.0111 178 ARG A NH2 
298 N N   . GLU A 55  ? 0.1952 0.2164 0.3800 -0.0043 0.0709  -0.0028 179 GLU A N   
299 C CA  . GLU A 55  ? 0.3058 0.1667 0.3789 -0.0446 0.0126  0.0005  179 GLU A CA  
300 C C   . GLU A 55  ? 0.3264 0.1780 0.4172 -0.0040 -0.0100 0.0253  179 GLU A C   
301 O O   . GLU A 55  ? 0.3612 0.3017 0.4230 -0.1162 -0.0257 0.0499  179 GLU A O   
302 C CB  . GLU A 55  ? 0.2902 0.2112 0.4890 0.0181  0.0706  0.0253  179 GLU A CB  
303 C CG  . GLU A 55  ? 0.2922 0.3184 0.5321 0.0151  0.1154  -0.0644 179 GLU A CG  
304 C CD  . GLU A 55  ? 0.5477 0.3652 0.5374 0.0869  0.1168  -0.0258 179 GLU A CD  
305 O OE1 . GLU A 55  ? 0.5397 0.5003 0.6063 0.0519  0.1934  -0.0344 179 GLU A OE1 
306 O OE2 . GLU A 55  ? 0.3824 0.5060 0.6986 0.0885  0.1323  -0.0119 179 GLU A OE2 
307 N N   . SER A 56  ? 0.2528 0.1992 0.4037 -0.0378 -0.0037 -0.0089 180 SER A N   
308 C CA  . SER A 56  ? 0.2955 0.2037 0.3965 0.0050  -0.0118 0.0554  180 SER A CA  
309 C C   . SER A 56  ? 0.2293 0.2685 0.4226 -0.0376 0.0392  0.0371  180 SER A C   
310 O O   . SER A 56  ? 0.2603 0.3059 0.4479 0.0179  0.0198  0.0748  180 SER A O   
311 C CB  . SER A 56  ? 0.2244 0.1958 0.4246 -0.0429 -0.0099 0.0275  180 SER A CB  
312 O OG  . SER A 56  ? 0.2791 0.2021 0.4132 -0.0318 0.0395  0.0538  180 SER A OG  
313 N N   . GLU A 57  ? 0.3062 0.2448 0.4479 -0.0204 -0.0159 0.0615  181 GLU A N   
314 C CA  . GLU A 57  ? 0.3593 0.2787 0.4984 -0.0205 0.0036  0.1370  181 GLU A CA  
315 C C   . GLU A 57  ? 0.3454 0.2028 0.5188 -0.0227 0.0327  0.0547  181 GLU A C   
316 O O   . GLU A 57  ? 0.3904 0.2744 0.5504 0.0216  -0.0095 0.0803  181 GLU A O   
317 C CB  . GLU A 57  ? 0.3867 0.4157 0.4759 0.0486  -0.0873 0.0864  181 GLU A CB  
318 C CG  . GLU A 57  ? 0.4426 0.4070 0.5462 -0.1288 -0.0884 0.1142  181 GLU A CG  
319 C CD  . GLU A 57  ? 0.4478 0.3310 0.5201 -0.0314 -0.0319 -0.0066 181 GLU A CD  
320 O OE1 . GLU A 57  ? 0.7266 0.3441 0.5019 -0.1089 -0.0012 -0.0158 181 GLU A OE1 
321 O OE2 . GLU A 57  ? 0.5369 0.3974 0.4276 -0.1797 -0.0475 0.1424  181 GLU A OE2 
322 N N   . THR A 58  ? 0.3327 0.2390 0.4436 -0.0019 0.0651  0.0928  182 THR A N   
323 C CA  . THR A 58  ? 0.3818 0.2648 0.3892 0.0068  0.0165  0.1239  182 THR A CA  
324 C C   . THR A 58  ? 0.3684 0.3117 0.3965 0.0215  0.0591  0.0524  182 THR A C   
325 O O   . THR A 58  ? 0.3024 0.1876 0.4925 -0.0135 0.0462  0.0708  182 THR A O   
326 C CB  . THR A 58  ? 0.3352 0.3456 0.4468 -0.1013 0.1144  0.0297  182 THR A CB  
327 O OG1 . THR A 58  ? 0.4105 0.2399 0.4936 -0.0283 0.0567  0.0462  182 THR A OG1 
328 C CG2 . THR A 58  ? 0.5320 0.3285 0.4713 -0.0435 0.0498  0.0646  182 THR A CG2 
329 N N   . VAL A 59  ? 0.4094 0.1718 0.4129 0.0063  0.0169  0.0215  183 VAL A N   
330 C CA  . VAL A 59  ? 0.3120 0.1598 0.4503 -0.0060 0.0334  -0.0026 183 VAL A CA  
331 C C   . VAL A 59  ? 0.2568 0.2704 0.4365 0.0202  0.0763  0.0121  183 VAL A C   
332 O O   . VAL A 59  ? 0.3409 0.2150 0.4086 -0.0226 0.0368  0.0457  183 VAL A O   
333 C CB  . VAL A 59  ? 0.3170 0.1832 0.5118 0.0109  0.1121  0.0691  183 VAL A CB  
334 C CG1 . VAL A 59  ? 0.3119 0.2131 0.4661 -0.0390 0.0430  0.0344  183 VAL A CG1 
335 C CG2 . VAL A 59  ? 0.3632 0.1696 0.4445 -0.0013 0.0562  0.0374  183 VAL A CG2 
336 N N   . LYS A 60  ? 0.3383 0.2133 0.5780 0.0512  0.1041  -0.0248 184 LYS A N   
337 C CA  . LYS A 60  ? 0.3554 0.2176 0.5409 -0.0297 0.0447  0.0495  184 LYS A CA  
338 C C   . LYS A 60  ? 0.3263 0.2291 0.5442 -0.0198 0.1155  -0.0578 184 LYS A C   
339 O O   . LYS A 60  ? 0.3797 0.2841 0.5663 -0.0289 0.0646  -0.0092 184 LYS A O   
340 C CB  . LYS A 60  ? 0.5437 0.2143 0.5411 0.0539  0.0763  -0.0305 184 LYS A CB  
341 C CG  . LYS A 60  ? 0.7240 0.4386 0.6096 0.1467  0.1997  0.0365  184 LYS A CG  
342 N N   . GLY A 61  ? 0.3018 0.2569 0.4330 -0.0461 0.0711  -0.0013 185 GLY A N   
343 C CA  . GLY A 61  ? 0.3926 0.2961 0.4045 -0.0925 0.0822  -0.0461 185 GLY A CA  
344 C C   . GLY A 61  ? 0.3543 0.2985 0.4475 0.0131  0.0689  -0.0165 185 GLY A C   
345 O O   . GLY A 61  ? 0.3534 0.2828 0.4487 -0.0372 0.0151  0.0044  185 GLY A O   
346 N N   . ALA A 62  ? 0.3004 0.2029 0.4100 -0.0471 0.0421  0.0212  186 ALA A N   
347 C CA  . ALA A 62  ? 0.2748 0.1793 0.4156 0.0166  -0.0123 0.0091  186 ALA A CA  
348 C C   . ALA A 62  ? 0.2354 0.2103 0.3912 -0.0016 -0.0019 0.0505  186 ALA A C   
349 O O   . ALA A 62  ? 0.2616 0.1986 0.4090 -0.0130 0.0095  0.0252  186 ALA A O   
350 C CB  . ALA A 62  ? 0.2401 0.2300 0.4080 -0.0200 0.0390  0.0532  186 ALA A CB  
351 N N   . TYR A 63  ? 0.2588 0.2139 0.3899 -0.0068 0.0262  0.0150  187 TYR A N   
352 C CA  . TYR A 63  ? 0.2258 0.2042 0.3547 -0.0180 -0.0196 0.0218  187 TYR A CA  
353 C C   . TYR A 63  ? 0.2999 0.2501 0.2806 0.0219  -0.0189 0.0117  187 TYR A C   
354 O O   . TYR A 63  ? 0.2502 0.2908 0.3769 -0.0382 0.0073  0.0493  187 TYR A O   
355 C CB  . TYR A 63  ? 0.2693 0.1955 0.3328 -0.0021 0.0078  0.0279  187 TYR A CB  
356 C CG  . TYR A 63  ? 0.2526 0.2190 0.3873 0.0143  -0.0223 0.0208  187 TYR A CG  
357 C CD1 . TYR A 63  ? 0.2631 0.1898 0.4230 0.0086  0.0525  0.0250  187 TYR A CD1 
358 C CD2 . TYR A 63  ? 0.2716 0.2727 0.4018 -0.0214 0.0005  0.0299  187 TYR A CD2 
359 C CE1 . TYR A 63  ? 0.2946 0.2446 0.4265 0.0215  0.0482  0.0080  187 TYR A CE1 
360 C CE2 . TYR A 63  ? 0.4370 0.3246 0.3579 0.0092  -0.0225 -0.0022 187 TYR A CE2 
361 C CZ  . TYR A 63  ? 0.4225 0.2595 0.3834 0.0178  0.0512  0.0287  187 TYR A CZ  
362 O OH  . TYR A 63  ? 0.5287 0.3423 0.4402 0.0386  0.0900  -0.0200 187 TYR A OH  
363 N N   . ALA A 64  ? 0.2260 0.2484 0.4157 -0.0412 0.0421  -0.0142 188 ALA A N   
364 C CA  . ALA A 64  ? 0.3062 0.1783 0.4064 -0.0558 0.0649  -0.0401 188 ALA A CA  
365 C C   . ALA A 64  ? 0.2511 0.1878 0.3225 -0.0461 0.0861  -0.0154 188 ALA A C   
366 O O   . ALA A 64  ? 0.2322 0.2240 0.3724 -0.0119 0.0825  0.0389  188 ALA A O   
367 C CB  . ALA A 64  ? 0.2298 0.2805 0.3766 -0.0019 0.0695  0.0310  188 ALA A CB  
368 N N   . LEU A 65  ? 0.2060 0.2438 0.3280 -0.0165 0.0470  -0.0088 189 LEU A N   
369 C CA  . LEU A 65  ? 0.2360 0.2335 0.2966 -0.0224 0.0395  0.0141  189 LEU A CA  
370 C C   . LEU A 65  ? 0.2395 0.2129 0.2610 -0.0110 0.0070  0.0244  189 LEU A C   
371 O O   . LEU A 65  ? 0.2495 0.3019 0.3075 -0.0065 0.0482  0.0160  189 LEU A O   
372 C CB  . LEU A 65  ? 0.1844 0.3306 0.3012 0.0068  0.0114  -0.0007 189 LEU A CB  
373 C CG  . LEU A 65  ? 0.2865 0.2477 0.3261 0.0273  0.0301  0.0380  189 LEU A CG  
374 C CD1 . LEU A 65  ? 0.2741 0.2262 0.3216 0.0232  -0.0033 -0.0139 189 LEU A CD1 
375 C CD2 . LEU A 65  ? 0.2594 0.3501 0.3302 0.0640  -0.0012 -0.0054 189 LEU A CD2 
376 N N   . SER A 66  ? 0.2414 0.1904 0.3073 0.0013  0.0203  0.0021  190 SER A N   
377 C CA  . SER A 66  ? 0.3091 0.1932 0.2681 0.0183  0.0155  -0.0116 190 SER A CA  
378 C C   . SER A 66  ? 0.3251 0.2123 0.2843 -0.0273 0.0409  -0.0279 190 SER A C   
379 O O   . SER A 66  ? 0.2915 0.2289 0.3189 -0.0003 0.0311  0.0132  190 SER A O   
380 C CB  . SER A 66  ? 0.2574 0.2430 0.3267 -0.0018 0.0184  -0.0210 190 SER A CB  
381 O OG  . SER A 66  ? 0.2748 0.1811 0.3838 0.0081  0.0171  -0.0164 190 SER A OG  
382 N N   . VAL A 67  ? 0.3537 0.2436 0.2718 0.0112  0.0004  0.0335  191 VAL A N   
383 C CA  . VAL A 67  ? 0.3436 0.1858 0.3346 0.0171  0.0161  0.0102  191 VAL A CA  
384 C C   . VAL A 67  ? 0.3809 0.2541 0.2784 -0.0276 -0.0169 0.0150  191 VAL A C   
385 O O   . VAL A 67  ? 0.4424 0.2550 0.3059 0.0369  0.0597  0.0028  191 VAL A O   
386 C CB  . VAL A 67  ? 0.3129 0.2808 0.3142 0.0367  0.0443  -0.0151 191 VAL A CB  
387 C CG1 . VAL A 67  ? 0.3986 0.2245 0.3358 0.0201  -0.0085 0.0028  191 VAL A CG1 
388 C CG2 . VAL A 67  ? 0.3662 0.2900 0.3118 0.0358  -0.0055 0.0096  191 VAL A CG2 
389 N N   . SER A 68  ? 0.4468 0.2387 0.3080 0.0102  0.0426  -0.0095 192 SER A N   
390 C CA  . SER A 68  ? 0.3566 0.3029 0.2979 0.0410  -0.0060 -0.0173 192 SER A CA  
391 C C   . SER A 68  ? 0.4755 0.2134 0.3008 0.0102  -0.0027 0.0069  192 SER A C   
392 O O   . SER A 68  ? 0.5035 0.2213 0.3046 0.0887  0.0203  -0.0085 192 SER A O   
393 C CB  . SER A 68  ? 0.4726 0.2737 0.3648 -0.0192 -0.0404 -0.0504 192 SER A CB  
394 O OG  . SER A 68  ? 0.4218 0.2405 0.3256 0.0388  -0.0361 -0.0127 192 SER A OG  
395 N N   . ASP A 69  ? 0.5040 0.2599 0.2815 -0.0170 0.0008  -0.0099 193 ASP A N   
396 C CA  . ASP A 69  ? 0.5177 0.2273 0.3137 -0.0163 0.0360  0.0165  193 ASP A CA  
397 C C   . ASP A 69  ? 0.4018 0.2627 0.2818 0.0232  0.0109  -0.0247 193 ASP A C   
398 O O   . ASP A 69  ? 0.4619 0.2395 0.3505 0.0153  0.0066  -0.0219 193 ASP A O   
399 C CB  . ASP A 69  ? 0.5102 0.2725 0.3308 -0.0022 0.0237  -0.0131 193 ASP A CB  
400 C CG  . ASP A 69  ? 0.4521 0.3961 0.4575 0.0264  0.0257  -0.1626 193 ASP A CG  
401 O OD1 . ASP A 69  ? 0.4443 0.4348 0.4282 -0.0798 0.0313  -0.0018 193 ASP A OD1 
402 O OD2 . ASP A 69  ? 0.4984 0.4145 0.4673 -0.1186 -0.0087 -0.0796 193 ASP A OD2 
403 N N   . PHE A 70  ? 0.4221 0.3214 0.3468 0.0695  0.0172  -0.0233 194 PHE A N   
404 C CA  . PHE A 70  ? 0.5170 0.2863 0.3202 0.0387  0.0261  -0.0292 194 PHE A CA  
405 C C   . PHE A 70  ? 0.5514 0.4108 0.2837 -0.0289 -0.0099 -0.0661 194 PHE A C   
406 O O   . PHE A 70  ? 0.4807 0.3820 0.3850 0.0687  0.0093  -0.0341 194 PHE A O   
407 C CB  . PHE A 70  ? 0.4470 0.2747 0.3848 0.0856  0.0433  -0.0122 194 PHE A CB  
408 C CG  . PHE A 70  ? 0.4637 0.3072 0.3090 0.1044  0.0138  -0.0543 194 PHE A CG  
409 C CD1 . PHE A 70  ? 0.4177 0.2674 0.3665 0.0568  0.0395  -0.0319 194 PHE A CD1 
410 C CD2 . PHE A 70  ? 0.4232 0.3171 0.3833 0.0484  0.0746  -0.0793 194 PHE A CD2 
411 C CE1 . PHE A 70  ? 0.4405 0.2975 0.3636 0.0182  -0.0254 -0.0481 194 PHE A CE1 
412 C CE2 . PHE A 70  ? 0.5047 0.2775 0.3184 0.0125  0.0920  -0.0808 194 PHE A CE2 
413 C CZ  . PHE A 70  ? 0.5055 0.3105 0.3480 0.0300  0.0107  -0.0363 194 PHE A CZ  
414 N N   . ASP A 71  ? 0.5168 0.3219 0.3161 0.0163  0.0082  -0.0557 195 ASP A N   
415 C CA  . ASP A 71  ? 0.4443 0.3504 0.3361 0.0273  0.0392  -0.0489 195 ASP A CA  
416 C C   . ASP A 71  ? 0.4681 0.2874 0.3874 0.0079  0.0385  -0.0263 195 ASP A C   
417 O O   . ASP A 71  ? 0.4831 0.2446 0.3562 -0.0106 0.0157  -0.0349 195 ASP A O   
418 C CB  . ASP A 71  ? 0.6438 0.2622 0.4497 0.0582  0.0430  -0.0874 195 ASP A CB  
419 C CG  . ASP A 71  ? 0.5951 0.2884 0.6450 -0.0668 -0.0072 -0.0887 195 ASP A CG  
420 O OD1 . ASP A 71  ? 0.4836 0.4869 0.6572 -0.1357 0.0688  -0.0970 195 ASP A OD1 
421 O OD2 . ASP A 71  ? 0.6085 0.2889 0.5589 -0.0254 0.0304  -0.0494 195 ASP A OD2 
422 N N   . ASN A 72  ? 0.4398 0.2524 0.3861 -0.0212 0.0216  -0.0416 196 ASN A N   
423 C CA  . ASN A 72  ? 0.5072 0.2174 0.3723 -0.0430 0.0527  -0.0371 196 ASN A CA  
424 C C   . ASN A 72  ? 0.5061 0.3113 0.3556 -0.0633 0.0507  0.0708  196 ASN A C   
425 O O   . ASN A 72  ? 0.6031 0.2933 0.3774 0.0226  0.0150  -0.0216 196 ASN A O   
426 C CB  . ASN A 72  ? 0.4201 0.3307 0.3740 -0.0833 0.0618  -0.0627 196 ASN A CB  
427 C CG  . ASN A 72  ? 0.5030 0.3703 0.4346 -0.1075 -0.0093 -0.0252 196 ASN A CG  
428 O OD1 . ASN A 72  ? 0.5183 0.3193 0.5022 -0.0129 0.0980  -0.0135 196 ASN A OD1 
429 N ND2 . ASN A 72  ? 0.4422 0.6872 0.7880 -0.1107 -0.0605 0.0307  196 ASN A ND2 
430 N N   . ALA A 73  ? 0.5522 0.2045 0.4910 -0.0308 0.0534  0.0064  197 ALA A N   
431 C CA  . ALA A 73  ? 0.5346 0.2836 0.4660 0.0061  -0.0178 0.0204  197 ALA A CA  
432 C C   . ALA A 73  ? 0.6021 0.1966 0.5214 0.0017  -0.0077 0.0225  197 ALA A C   
433 O O   . ALA A 73  ? 0.5280 0.3215 0.4778 0.0630  0.0292  0.0088  197 ALA A O   
434 C CB  . ALA A 73  ? 0.6142 0.2986 0.6923 -0.0387 0.0561  0.1217  197 ALA A CB  
435 N N   . LYS A 74  ? 0.6998 0.2616 0.4442 0.0858  0.0778  0.0371  198 LYS A N   
436 C CA  . LYS A 74  ? 0.5872 0.3274 0.4366 0.1006  0.0969  0.0318  198 LYS A CA  
437 C C   . LYS A 74  ? 0.4509 0.3319 0.4569 0.1470  0.0239  -0.0432 198 LYS A C   
438 O O   . LYS A 74  ? 0.5209 0.2891 0.4738 0.0971  0.0482  0.0302  198 LYS A O   
439 C CB  . LYS A 74  ? 0.6649 0.4266 0.7180 0.0542  0.0965  -0.1303 198 LYS A CB  
440 C CG  . LYS A 74  ? 0.9090 0.3061 1.1121 -0.0405 0.0639  -0.0403 198 LYS A CG  
441 C CD  . LYS A 74  ? 0.6703 0.5383 1.1807 0.0625  -0.0705 -0.3637 198 LYS A CD  
442 N N   . GLY A 75  ? 0.4938 0.3201 0.3560 0.0919  0.0160  -0.0322 199 GLY A N   
443 C CA  . GLY A 75  ? 0.4513 0.2871 0.3374 0.0517  0.0064  -0.0341 199 GLY A CA  
444 C C   . GLY A 75  ? 0.3629 0.2868 0.3847 0.0169  -0.0089 -0.0269 199 GLY A C   
445 O O   . GLY A 75  ? 0.4715 0.2945 0.3527 0.0006  -0.0230 -0.0424 199 GLY A O   
446 N N   . LEU A 76  ? 0.3984 0.3144 0.3463 0.0322  -0.0248 -0.0215 200 LEU A N   
447 C CA  . LEU A 76  ? 0.4214 0.3279 0.3614 0.0347  -0.0278 -0.0342 200 LEU A CA  
448 C C   . LEU A 76  ? 0.4062 0.3967 0.2604 0.0386  0.0218  0.0039  200 LEU A C   
449 O O   . LEU A 76  ? 0.4929 0.3744 0.3609 0.0457  -0.0496 -0.0474 200 LEU A O   
450 C CB  . LEU A 76  ? 0.5607 0.4329 0.5253 0.0491  0.0090  0.0306  200 LEU A CB  
451 C CG  . LEU A 76  ? 0.4135 0.3748 0.6390 0.0534  -0.1048 0.0697  200 LEU A CG  
452 C CD1 . LEU A 76  ? 0.4258 0.3003 0.7901 -0.0274 -0.0914 0.0736  200 LEU A CD1 
453 C CD2 . LEU A 76  ? 0.4579 0.2943 0.4673 0.0107  0.0729  0.0062  200 LEU A CD2 
454 N N   . ASN A 77  ? 0.4656 0.3220 0.2577 0.0462  0.0120  0.0336  201 ASN A N   
455 C CA  . ASN A 77  ? 0.5143 0.2411 0.3464 0.0497  0.0095  -0.0397 201 ASN A CA  
456 C C   . ASN A 77  ? 0.4722 0.3088 0.3081 0.0410  -0.0232 0.0036  201 ASN A C   
457 O O   . ASN A 77  ? 0.5679 0.2630 0.3251 0.0824  0.0107  -0.0313 201 ASN A O   
458 C CB  . ASN A 77  ? 0.5556 0.3860 0.3798 -0.0562 -0.0287 0.0150  201 ASN A CB  
459 C CG  . ASN A 77  ? 0.4466 0.2025 0.3797 0.0383  0.0353  0.0179  201 ASN A CG  
460 O OD1 . ASN A 77  ? 0.4891 0.3643 0.4652 -0.0440 0.0185  -0.0996 201 ASN A OD1 
461 N ND2 . ASN A 77  ? 0.4449 0.2620 0.3925 0.0601  0.0254  0.0321  201 ASN A ND2 
462 N N   . VAL A 78  ? 0.5349 0.2843 0.3360 0.0388  0.0142  0.0185  202 VAL A N   
463 C CA  . VAL A 78  ? 0.4271 0.2371 0.3496 0.0340  0.0037  0.0410  202 VAL A CA  
464 C C   . VAL A 78  ? 0.3927 0.2630 0.2902 0.0344  -0.0117 0.0305  202 VAL A C   
465 O O   . VAL A 78  ? 0.5261 0.2551 0.3892 0.0594  0.0360  0.0487  202 VAL A O   
466 C CB  . VAL A 78  ? 0.3599 0.2971 0.3746 0.0696  -0.0167 0.0322  202 VAL A CB  
467 C CG1 . VAL A 78  ? 0.4743 0.3004 0.3249 0.0584  0.0473  0.0243  202 VAL A CG1 
468 C CG2 . VAL A 78  ? 0.4572 0.2907 0.4098 0.0310  0.0483  -0.0178 202 VAL A CG2 
469 N N   . LYS A 79  ? 0.3898 0.3350 0.3026 0.0619  0.0313  0.0499  203 LYS A N   
470 C CA  . LYS A 79  ? 0.3715 0.2952 0.3072 0.0249  0.0513  0.0130  203 LYS A CA  
471 C C   . LYS A 79  ? 0.3523 0.3173 0.3405 0.0749  0.1014  0.0709  203 LYS A C   
472 O O   . LYS A 79  ? 0.4365 0.3067 0.3224 -0.0488 0.0859  0.0085  203 LYS A O   
473 C CB  . LYS A 79  ? 0.4501 0.2543 0.4599 -0.0009 0.0649  0.0709  203 LYS A CB  
474 C CG  . LYS A 79  ? 0.4584 0.3468 0.4452 0.0587  0.0676  -0.0642 203 LYS A CG  
475 C CD  . LYS A 79  ? 0.4998 0.4539 0.4184 0.0542  0.1801  0.0048  203 LYS A CD  
476 C CE  . LYS A 79  ? 0.5732 0.5394 0.5988 0.1813  -0.0136 -0.0356 203 LYS A CE  
477 N NZ  . LYS A 79  ? 0.5676 0.8733 0.7375 0.0949  -0.0034 0.0815  203 LYS A NZ  
478 N N   . HIS A 80  ? 0.3312 0.2787 0.3617 -0.0051 -0.0035 0.0271  204 HIS A N   
479 C CA  . HIS A 80  ? 0.3240 0.2255 0.3427 -0.0007 -0.0020 0.0374  204 HIS A CA  
480 C C   . HIS A 80  ? 0.2362 0.3098 0.3304 -0.0194 0.0050  0.0197  204 HIS A C   
481 O O   . HIS A 80  ? 0.3744 0.4087 0.3940 -0.0608 0.0402  0.1202  204 HIS A O   
482 C CB  . HIS A 80  ? 0.3191 0.2292 0.3440 0.0173  0.0186  0.0298  204 HIS A CB  
483 C CG  . HIS A 80  ? 0.3081 0.2632 0.3595 -0.0108 0.0023  0.0209  204 HIS A CG  
484 N ND1 . HIS A 80  ? 0.3043 0.2136 0.3419 0.0227  0.0206  0.0223  204 HIS A ND1 
485 C CD2 . HIS A 80  ? 0.2794 0.3121 0.3520 0.0315  0.0250  0.0560  204 HIS A CD2 
486 C CE1 . HIS A 80  ? 0.3430 0.2747 0.2680 -0.0208 -0.0253 0.0330  204 HIS A CE1 
487 N NE2 . HIS A 80  ? 0.2647 0.3174 0.3638 -0.0126 0.0151  0.0251  204 HIS A NE2 
488 N N   . TYR A 81  ? 0.2558 0.3668 0.3054 -0.0155 0.0334  0.0022  205 TYR A N   
489 C CA  . TYR A 81  ? 0.2766 0.3081 0.3282 -0.0622 0.0338  0.0445  205 TYR A CA  
490 C C   . TYR A 81  ? 0.2056 0.2808 0.3865 0.0258  0.0520  0.0165  205 TYR A C   
491 O O   . TYR A 81  ? 0.2514 0.2996 0.3992 -0.0257 0.0802  -0.0277 205 TYR A O   
492 C CB  . TYR A 81  ? 0.2583 0.3455 0.3561 -0.0193 0.0199  0.0638  205 TYR A CB  
493 C CG  . TYR A 81  ? 0.2763 0.3398 0.3433 0.0020  0.0628  -0.0038 205 TYR A CG  
494 C CD1 . TYR A 81  ? 0.3044 0.3600 0.4783 0.0355  0.1243  0.0446  205 TYR A CD1 
495 C CD2 . TYR A 81  ? 0.2772 0.3204 0.3451 0.0090  0.0399  0.0127  205 TYR A CD2 
496 C CE1 . TYR A 81  ? 0.2870 0.3271 0.5172 0.0378  0.0848  -0.0520 205 TYR A CE1 
497 C CE2 . TYR A 81  ? 0.3115 0.3930 0.3697 -0.0131 0.0888  -0.0075 205 TYR A CE2 
498 C CZ  . TYR A 81  ? 0.3766 0.3542 0.3520 0.0223  0.0765  0.0072  205 TYR A CZ  
499 O OH  . TYR A 81  ? 0.2914 0.3971 0.4051 0.0490  0.0396  -0.0309 205 TYR A OH  
500 N N   . LEU A 82  ? 0.2369 0.2837 0.3375 -0.0485 0.0019  0.0558  206 LEU A N   
501 C CA  . LEU A 82  ? 0.1945 0.2749 0.3404 -0.0140 0.0232  0.0717  206 LEU A CA  
502 C C   . LEU A 82  ? 0.2715 0.2121 0.3301 -0.0488 0.0098  0.0763  206 LEU A C   
503 O O   . LEU A 82  ? 0.2207 0.3258 0.4300 -0.0023 0.0033  0.0570  206 LEU A O   
504 C CB  . LEU A 82  ? 0.2348 0.3155 0.4290 -0.0640 -0.0027 0.1503  206 LEU A CB  
505 C CG  . LEU A 82  ? 0.3357 0.2700 0.3894 -0.0546 0.0202  0.0101  206 LEU A CG  
506 C CD1 . LEU A 82  ? 0.3358 0.2582 0.4948 -0.0411 0.0685  0.0237  206 LEU A CD1 
507 C CD2 . LEU A 82  ? 0.3608 0.3084 0.6782 -0.1186 0.0404  0.0442  206 LEU A CD2 
508 N N   . ILE A 83  ? 0.2022 0.2248 0.3492 -0.0390 0.0000  0.0419  207 ILE A N   
509 C CA  . ILE A 83  ? 0.2289 0.2670 0.3541 -0.0193 0.0045  0.0054  207 ILE A CA  
510 C C   . ILE A 83  ? 0.2765 0.2301 0.3505 -0.0204 -0.0349 -0.0038 207 ILE A C   
511 O O   . ILE A 83  ? 0.2524 0.2055 0.4066 -0.0276 0.0033  0.0311  207 ILE A O   
512 C CB  . ILE A 83  ? 0.2177 0.2220 0.3418 -0.0375 0.0018  0.0061  207 ILE A CB  
513 C CG1 . ILE A 83  ? 0.2237 0.2560 0.3452 -0.0145 -0.0518 -0.0089 207 ILE A CG1 
514 C CG2 . ILE A 83  ? 0.2536 0.2204 0.3723 -0.0485 0.0051  -0.0358 207 ILE A CG2 
515 C CD1 . ILE A 83  ? 0.2562 0.2198 0.3763 -0.0438 0.0134  -0.0058 207 ILE A CD1 
516 N N   . ARG A 84  ? 0.2299 0.2489 0.4451 -0.0424 -0.0338 0.0314  208 ARG A N   
517 C CA  . ARG A 84  ? 0.2670 0.2422 0.4371 -0.0317 -0.0452 -0.0520 208 ARG A CA  
518 C C   . ARG A 84  ? 0.2095 0.2779 0.4188 -0.0608 -0.0421 0.0012  208 ARG A C   
519 O O   . ARG A 84  ? 0.3356 0.2383 0.4850 -0.0282 -0.1020 0.0623  208 ARG A O   
520 C CB  . ARG A 84  ? 0.2744 0.2468 0.5656 -0.0571 -0.0431 0.0279  208 ARG A CB  
521 C CG  . ARG A 84  ? 0.4148 0.3668 0.4482 -0.1427 -0.0020 -0.0075 208 ARG A CG  
522 C CD  . ARG A 84  ? 0.3991 0.4066 0.5566 -0.0322 -0.0812 0.0700  208 ARG A CD  
523 N NE  . ARG A 84  ? 0.3693 0.3660 0.5423 -0.0611 -0.1228 0.0939  208 ARG A NE  
524 C CZ  . ARG A 84  ? 0.3047 0.2946 0.4274 0.0501  -0.0323 0.0359  208 ARG A CZ  
525 N NH1 . ARG A 84  ? 0.4190 0.2566 0.3792 -0.0242 -0.0580 0.0371  208 ARG A NH1 
526 N NH2 . ARG A 84  ? 0.2798 0.3162 0.4386 0.0483  0.0131  0.0228  208 ARG A NH2 
527 N N   . LYS A 85  ? 0.3075 0.2698 0.4988 -0.0568 -0.0280 -0.0247 209 LYS A N   
528 C CA  . LYS A 85  ? 0.4050 0.3207 0.5221 -0.1526 -0.0086 -0.0471 209 LYS A CA  
529 C C   . LYS A 85  ? 0.5837 0.3488 0.5365 -0.0840 -0.0725 0.0855  209 LYS A C   
530 O O   . LYS A 85  ? 0.5875 0.2934 0.5270 -0.0845 -0.0953 0.0161  209 LYS A O   
531 C CB  . LYS A 85  ? 0.4971 0.4401 0.4373 -0.1396 -0.0254 -0.0132 209 LYS A CB  
532 C CG  . LYS A 85  ? 0.7508 0.4937 0.5390 -0.1312 -0.0516 -0.1188 209 LYS A CG  
533 C CD  . LYS A 85  ? 0.7396 1.0763 0.7066 -0.0218 0.0706  -0.0803 209 LYS A CD  
534 N N   . LEU A 86  ? 0.6296 0.2636 0.6337 -0.0624 -0.1897 -0.0067 210 LEU A N   
535 C CA  . LEU A 86  ? 0.6562 0.3504 0.6530 -0.2742 -0.1442 -0.0112 210 LEU A CA  
536 C C   . LEU A 86  ? 0.7420 0.6502 0.6167 0.1839  -0.0838 0.0444  210 LEU A C   
537 O O   . LEU A 86  ? 0.6941 0.4335 0.5892 -0.1123 -0.2515 -0.0219 210 LEU A O   
538 C CB  . LEU A 86  ? 0.5398 0.6764 0.5535 -0.0293 -0.1811 -0.0539 210 LEU A CB  
539 C CG  . LEU A 86  ? 0.3927 0.9321 0.6676 -0.0101 0.0832  0.0313  210 LEU A CG  
540 C CD1 . LEU A 86  ? 0.5224 1.2741 0.9672 0.0654  -0.0322 -0.0468 210 LEU A CD1 
541 C CD2 . LEU A 86  ? 0.5210 0.8205 0.8575 -0.3134 -0.0378 -0.0631 210 LEU A CD2 
542 N N   . ASP A 87  ? 0.8910 0.9125 0.8996 0.1525  -0.1373 0.3953  211 ASP A N   
543 C CA  . ASP A 87  ? 0.6496 1.3289 1.0586 0.2285  -0.2007 0.1677  211 ASP A CA  
544 C C   . ASP A 87  ? 0.5694 0.9773 0.3615 0.0316  0.0393  0.2261  211 ASP A C   
545 O O   . ASP A 87  ? 0.5074 0.9304 0.5174 -0.2024 0.0213  -0.1283 211 ASP A O   
546 C CB  . ASP A 87  ? 1.4730 0.3844 2.1296 0.0124  0.0613  -0.0585 211 ASP A CB  
547 C CG  . ASP A 87  ? 2.0643 0.9759 1.9064 0.2672  0.1892  0.7052  211 ASP A CG  
548 O OD1 . ASP A 87  ? 0.7632 1.8614 1.4474 0.1139  0.4085  -0.3503 211 ASP A OD1 
549 O OD2 . ASP A 87  ? 1.3000 2.0368 0.3813 0.6918  0.3384  0.2815  211 ASP A OD2 
550 N N   . SER A 88  ? 0.6628 0.7122 0.6731 -0.2765 -0.0829 -0.0549 212 SER A N   
551 C CA  . SER A 88  ? 0.9072 0.8876 0.6452 -0.0467 -0.1252 0.0504  212 SER A CA  
552 C C   . SER A 88  ? 1.1342 0.9690 0.5351 -0.0928 -0.1844 -0.0815 212 SER A C   
553 O O   . SER A 88  ? 0.5195 0.9535 0.6427 -0.2199 -0.0078 -0.0478 212 SER A O   
554 C CB  . SER A 88  ? 0.2634 0.8945 0.8432 -0.1036 -0.0102 0.1339  212 SER A CB  
555 O OG  . SER A 88  ? 0.4798 0.8397 0.6786 -0.2663 0.1455  -0.1869 212 SER A OG  
556 N N   . GLY A 89  ? 0.5143 0.7154 0.5067 0.1359  0.0559  0.0302  213 GLY A N   
557 C CA  . GLY A 89  ? 0.6456 0.6528 0.4863 0.1495  0.1337  -0.0635 213 GLY A CA  
558 C C   . GLY A 89  ? 0.6714 0.5796 0.5296 0.1378  -0.1336 -0.1579 213 GLY A C   
559 O O   . GLY A 89  ? 0.5865 0.6157 0.7031 -0.0095 -0.0392 0.0764  213 GLY A O   
560 N N   . GLY A 90  ? 0.7943 0.3989 0.4527 -0.0604 -0.1148 -0.0186 214 GLY A N   
561 C CA  . GLY A 90  ? 0.6812 0.3801 0.4468 0.0291  -0.1844 0.0238  214 GLY A CA  
562 C C   . GLY A 90  ? 0.4776 0.3191 0.4754 -0.0413 -0.1298 -0.0436 214 GLY A C   
563 O O   . GLY A 90  ? 0.4613 0.3557 0.5919 -0.0366 -0.1753 0.0001  214 GLY A O   
564 N N   . PHE A 91  ? 0.3525 0.2801 0.4760 -0.0465 -0.0978 0.0843  215 PHE A N   
565 C CA  . PHE A 91  ? 0.3173 0.2872 0.4554 -0.0517 -0.0988 0.0753  215 PHE A CA  
566 C C   . PHE A 91  ? 0.2911 0.4056 0.4691 -0.0290 -0.0830 0.0481  215 PHE A C   
567 O O   . PHE A 91  ? 0.2639 0.3589 0.5073 -0.0329 -0.0874 0.1086  215 PHE A O   
568 C CB  . PHE A 91  ? 0.2822 0.2580 0.4363 -0.0282 -0.0442 0.0536  215 PHE A CB  
569 C CG  . PHE A 91  ? 0.4060 0.3056 0.4539 -0.0738 -0.0757 -0.0401 215 PHE A CG  
570 C CD1 . PHE A 91  ? 0.3562 0.3586 0.4460 -0.1235 -0.0356 0.0167  215 PHE A CD1 
571 C CD2 . PHE A 91  ? 0.3472 0.2749 0.5605 -0.0530 -0.0414 -0.0158 215 PHE A CD2 
572 C CE1 . PHE A 91  ? 0.4163 0.4844 0.4851 -0.0457 0.0091  -0.0872 215 PHE A CE1 
573 C CE2 . PHE A 91  ? 0.4225 0.3593 0.5710 -0.0280 -0.0007 0.0549  215 PHE A CE2 
574 C CZ  . PHE A 91  ? 0.3183 0.3727 0.5806 -0.0951 0.0266  -0.0595 215 PHE A CZ  
575 N N   . TYR A 92  ? 0.2972 0.2811 0.4449 -0.0857 -0.0758 0.0574  216 TYR A N   
576 C CA  . TYR A 92  ? 0.3226 0.2793 0.4416 -0.0684 -0.0742 0.0780  216 TYR A CA  
577 C C   . TYR A 92  ? 0.2384 0.2940 0.4206 -0.0405 -0.0727 0.0914  216 TYR A C   
578 O O   . TYR A 92  ? 0.2032 0.3172 0.4954 0.0190  -0.0199 0.1272  216 TYR A O   
579 C CB  . TYR A 92  ? 0.2743 0.3035 0.5786 -0.0481 -0.0957 0.0315  216 TYR A CB  
580 C CG  . TYR A 92  ? 0.2772 0.4835 0.6127 -0.0959 -0.0551 0.0804  216 TYR A CG  
581 C CD1 . TYR A 92  ? 0.3779 0.3037 0.7772 -0.0619 -0.0537 0.1151  216 TYR A CD1 
582 C CD2 . TYR A 92  ? 0.3499 0.4632 0.7650 -0.0430 -0.0632 -0.0427 216 TYR A CD2 
583 C CE1 . TYR A 92  ? 0.3067 0.4280 0.5987 -0.0761 -0.0607 0.1022  216 TYR A CE1 
584 C CE2 . TYR A 92  ? 0.3250 0.3458 0.5807 -0.0747 -0.0370 0.0989  216 TYR A CE2 
585 C CZ  . TYR A 92  ? 0.5017 0.2775 0.5798 -0.0571 -0.0623 -0.0088 216 TYR A CZ  
586 O OH  . TYR A 92  ? 0.4892 0.3572 0.6117 -0.1342 -0.0859 0.0693  216 TYR A OH  
587 N N   . ILE A 93  ? 0.2341 0.2708 0.4594 -0.0421 -0.0098 0.0905  217 ILE A N   
588 C CA  . ILE A 93  ? 0.2341 0.3365 0.4356 0.0322  0.0213  0.1278  217 ILE A CA  
589 C C   . ILE A 93  ? 0.4361 0.4757 0.4848 -0.0809 0.0517  0.1845  217 ILE A C   
590 O O   . ILE A 93  ? 0.2467 0.4934 0.5974 -0.0414 0.0179  0.1444  217 ILE A O   
591 C CB  . ILE A 93  ? 0.2754 0.3747 0.4397 0.0867  0.0039  0.0975  217 ILE A CB  
592 C CG1 . ILE A 93  ? 0.2097 0.3220 0.4051 0.0131  0.0019  0.0537  217 ILE A CG1 
593 C CG2 . ILE A 93  ? 0.2582 0.5182 0.4472 0.0769  0.0149  0.0898  217 ILE A CG2 
594 C CD1 . ILE A 93  ? 0.2762 0.2923 0.4530 -0.0106 -0.0495 -0.0044 217 ILE A CD1 
595 N N   . THR A 94  ? 0.3051 0.6752 0.6743 -0.0616 -0.0393 0.2935  218 THR A N   
596 C CA  . THR A 94  ? 0.4624 0.6543 0.6464 0.1074  0.1266  0.3465  218 THR A CA  
597 C C   . THR A 94  ? 0.4890 1.3890 0.4887 0.5617  -0.2731 0.1237  218 THR A C   
598 O O   . THR A 94  ? 0.2839 0.6092 0.7937 -0.0385 -0.0247 0.1485  218 THR A O   
599 C CB  . THR A 94  ? 0.4226 0.8619 0.9657 -0.2623 0.0360  0.0965  218 THR A CB  
600 O OG1 . THR A 94  ? 0.5032 0.7493 1.1719 0.1074  0.2476  0.0704  218 THR A OG1 
601 C CG2 . THR A 94  ? 0.2368 0.6913 0.8653 -0.0463 0.0195  0.1415  218 THR A CG2 
602 N N   . SER A 95  ? 0.8061 0.4418 1.1215 -0.0542 0.0645  0.0835  219 SER A N   
603 C CA  . SER A 95  ? 1.0748 1.1499 0.6042 -0.2891 -0.0361 0.1189  219 SER A CA  
604 C C   . SER A 95  ? 0.9215 0.8910 0.5687 -0.5626 0.1251  0.3171  219 SER A C   
605 O O   . SER A 95  ? 0.3332 0.4854 0.9975 -0.2942 -0.0099 0.1320  219 SER A O   
606 C CB  . SER A 95  ? 0.3486 0.7064 1.8823 -0.0282 -0.0389 0.1646  219 SER A CB  
607 O OG  . SER A 95  ? 0.5315 1.4484 1.0804 -0.3135 0.3053  -0.1387 219 SER A OG  
608 N N   . ARG A 96  ? 0.2903 1.3248 1.0994 -0.5495 0.2377  -0.1218 220 ARG A N   
609 C CA  . ARG A 96  ? 0.8377 1.0952 1.1886 0.2243  -0.4169 -0.3187 220 ARG A CA  
610 C C   . ARG A 96  ? 1.2054 0.6214 1.1475 -0.0637 0.6129  0.6307  220 ARG A C   
611 O O   . ARG A 96  ? 0.4924 0.8272 0.9548 0.0298  -0.0219 0.1685  220 ARG A O   
612 C CB  . ARG A 96  ? 1.1010 1.1165 0.9605 0.2313  0.0859  -0.0675 220 ARG A CB  
613 C CG  . ARG A 96  ? 1.2311 0.9299 1.7803 -0.1468 0.1115  -0.4631 220 ARG A CG  
614 C CD  . ARG A 96  ? 1.5853 1.2530 1.4821 0.0425  0.3452  -0.3430 220 ARG A CD  
615 N NE  . ARG A 96  ? 1.4626 1.7145 1.6167 0.0725  0.5332  -0.1007 220 ARG A NE  
616 C CZ  . ARG A 96  ? 0.9658 1.6462 1.1079 0.1123  0.2552  -0.0386 220 ARG A CZ  
617 N NH1 . ARG A 96  ? 0.8385 1.3095 1.0480 -0.0160 0.3634  -0.0204 220 ARG A NH1 
618 N NH2 . ARG A 96  ? 1.3715 1.8793 1.1774 0.1441  0.4730  0.2432  220 ARG A NH2 
619 N N   . THR A 97  ? 0.1067 0.7710 0.9748 -0.2000 -0.0992 0.0944  221 THR A N   
620 C CA  . THR A 97  ? 0.3091 0.6857 0.7083 0.1424  -0.1217 0.1581  221 THR A CA  
621 C C   . THR A 97  ? 0.5057 0.3291 0.6692 -0.1531 0.0116  0.1613  221 THR A C   
622 O O   . THR A 97  ? 0.3407 0.5405 0.6409 -0.0902 -0.1649 0.1295  221 THR A O   
623 C CB  . THR A 97  ? 0.3357 0.5376 0.8397 0.0150  0.1214  0.1063  221 THR A CB  
624 O OG1 . THR A 97  ? 0.3301 0.4633 0.8933 0.0353  0.0986  0.0002  221 THR A OG1 
625 C CG2 . THR A 97  ? 0.3501 0.4004 0.9656 -0.0576 -0.0240 0.0898  221 THR A CG2 
626 N N   . GLN A 98  ? 0.3032 0.4424 0.6663 0.0136  -0.0602 0.1230  222 GLN A N   
627 C CA  . GLN A 98  ? 0.3561 0.5323 0.4529 -0.0547 -0.1393 0.0683  222 GLN A CA  
628 C C   . GLN A 98  ? 0.2752 0.4142 0.6523 -0.1003 -0.0057 0.0795  222 GLN A C   
629 O O   . GLN A 98  ? 0.3846 0.4699 0.7131 -0.0281 -0.1751 0.1084  222 GLN A O   
630 C CB  . GLN A 98  ? 0.5661 0.4381 0.6381 -0.0796 -0.2317 0.0989  222 GLN A CB  
631 C CG  . GLN A 98  ? 0.4131 0.4733 0.6945 -0.0094 -0.1365 0.0021  222 GLN A CG  
632 C CD  . GLN A 98  ? 0.5718 0.6004 0.5190 -0.0924 -0.1590 -0.0487 222 GLN A CD  
633 O OE1 . GLN A 98  ? 0.4932 0.4898 0.7130 -0.1669 -0.1388 -0.0428 222 GLN A OE1 
634 N NE2 . GLN A 98  ? 0.4735 0.6825 0.5315 -0.1730 -0.0347 0.0591  222 GLN A NE2 
635 N N   . PHE A 99  ? 0.3195 0.4316 0.4958 -0.0733 -0.1191 0.1359  223 PHE A N   
636 C CA  . PHE A 99  ? 0.3141 0.4059 0.4643 -0.0258 -0.0934 0.1114  223 PHE A CA  
637 C C   . PHE A 99  ? 0.3697 0.3009 0.4910 -0.0599 -0.0895 0.0111  223 PHE A C   
638 O O   . PHE A 99  ? 0.5785 0.3088 0.4712 -0.0451 -0.1449 0.0584  223 PHE A O   
639 C CB  . PHE A 99  ? 0.3341 0.2797 0.4783 -0.0681 -0.0835 0.1020  223 PHE A CB  
640 C CG  . PHE A 99  ? 0.3012 0.3577 0.4922 0.0039  -0.0472 0.0682  223 PHE A CG  
641 C CD1 . PHE A 99  ? 0.3266 0.2840 0.5572 -0.0513 -0.0907 0.0810  223 PHE A CD1 
642 C CD2 . PHE A 99  ? 0.2958 0.2924 0.5359 -0.0304 -0.0364 0.0498  223 PHE A CD2 
643 C CE1 . PHE A 99  ? 0.3984 0.3312 0.6801 0.0793  -0.0284 0.0552  223 PHE A CE1 
644 C CE2 . PHE A 99  ? 0.2675 0.3533 0.5488 0.0372  0.0589  0.0030  223 PHE A CE2 
645 C CZ  . PHE A 99  ? 0.3945 0.2957 0.6563 0.0032  0.0209  0.0066  223 PHE A CZ  
646 N N   . ASN A 100 ? 0.5043 0.3451 0.5078 -0.1145 -0.1788 0.1599  224 ASN A N   
647 C CA  . ASN A 100 ? 0.3717 0.5207 0.7003 -0.1087 -0.0728 0.0163  224 ASN A CA  
648 C C   . ASN A 100 ? 0.4798 0.5059 0.3638 -0.1007 -0.0200 0.0286  224 ASN A C   
649 O O   . ASN A 100 ? 0.4667 0.4376 0.4644 -0.0895 -0.0815 -0.0391 224 ASN A O   
650 C CB  . ASN A 100 ? 0.7500 0.9824 0.6380 0.1416  -0.0012 0.0586  224 ASN A CB  
651 C CG  . ASN A 100 ? 0.8477 0.7833 0.9585 0.5424  -0.0164 0.1266  224 ASN A CG  
652 O OD1 . ASN A 100 ? 1.0206 1.1846 0.8408 -0.2743 -0.6650 -0.1830 224 ASN A OD1 
653 N ND2 . ASN A 100 ? 1.6718 0.8844 0.8022 0.3887  -0.3115 -0.2373 224 ASN A ND2 
654 N N   . SER A 101 ? 0.4731 0.3647 0.3653 -0.0832 -0.0985 0.0072  225 SER A N   
655 C CA  . SER A 101 ? 0.4527 0.2570 0.4177 -0.0411 -0.0566 0.0103  225 SER A CA  
656 C C   . SER A 101 ? 0.4145 0.2640 0.3694 -0.0451 -0.0445 0.0158  225 SER A C   
657 O O   . SER A 101 ? 0.3728 0.2701 0.3922 -0.0345 -0.0443 0.0461  225 SER A O   
658 C CB  . SER A 101 ? 0.4531 0.2699 0.3531 -0.0843 -0.0236 0.0536  225 SER A CB  
659 O OG  . SER A 101 ? 0.4140 0.2691 0.4236 -0.0299 -0.0236 0.0043  225 SER A OG  
660 N N   . LEU A 102 ? 0.3214 0.2523 0.3791 0.0221  0.0086  0.0358  226 LEU A N   
661 C CA  . LEU A 102 ? 0.3077 0.2152 0.3198 -0.0099 0.0331  0.0302  226 LEU A CA  
662 C C   . LEU A 102 ? 0.3013 0.2882 0.2932 0.0102  0.0063  0.0693  226 LEU A C   
663 O O   . LEU A 102 ? 0.2784 0.2667 0.3353 0.0023  -0.0019 0.0557  226 LEU A O   
664 C CB  . LEU A 102 ? 0.2620 0.2191 0.3568 -0.0109 0.0218  0.0312  226 LEU A CB  
665 C CG  . LEU A 102 ? 0.3869 0.2866 0.3078 -0.0447 -0.0397 0.0340  226 LEU A CG  
666 C CD1 . LEU A 102 ? 0.3339 0.3230 0.4136 -0.0197 0.0138  0.0846  226 LEU A CD1 
667 C CD2 . LEU A 102 ? 0.3214 0.3303 0.3898 -0.0644 -0.0265 0.0954  226 LEU A CD2 
668 N N   . GLN A 103 ? 0.2948 0.2667 0.3108 -0.0024 0.0280  0.0178  227 GLN A N   
669 C CA  . GLN A 103 ? 0.3036 0.2655 0.3643 -0.0057 0.0204  0.0473  227 GLN A CA  
670 C C   . GLN A 103 ? 0.3050 0.2815 0.3410 -0.0336 0.0184  0.0766  227 GLN A C   
671 O O   . GLN A 103 ? 0.3527 0.2885 0.3384 0.0399  -0.0265 0.0222  227 GLN A O   
672 C CB  . GLN A 103 ? 0.3255 0.2450 0.3752 0.0328  0.0350  0.0393  227 GLN A CB  
673 C CG  . GLN A 103 ? 0.4968 0.4090 0.4438 -0.0378 0.0428  0.1034  227 GLN A CG  
674 C CD  . GLN A 103 ? 0.5407 0.3634 0.5004 0.1366  0.0742  -0.0133 227 GLN A CD  
675 O OE1 . GLN A 103 ? 0.4200 0.2703 0.4050 0.0142  0.0163  -0.0244 227 GLN A OE1 
676 N NE2 . GLN A 103 ? 0.3399 0.4649 0.4661 0.0790  0.0879  0.0397  227 GLN A NE2 
677 N N   . GLN A 104 ? 0.3354 0.2407 0.3890 -0.0163 -0.0102 0.0632  228 GLN A N   
678 C CA  . GLN A 104 ? 0.3222 0.2683 0.3998 0.0178  0.0043  0.0732  228 GLN A CA  
679 C C   . GLN A 104 ? 0.3021 0.2985 0.3849 0.0424  -0.0259 0.0335  228 GLN A C   
680 O O   . GLN A 104 ? 0.3215 0.2919 0.3898 0.0321  -0.0148 0.0551  228 GLN A O   
681 C CB  . GLN A 104 ? 0.4091 0.4068 0.4394 -0.0775 -0.0198 0.0251  228 GLN A CB  
682 C CG  . GLN A 104 ? 0.8014 0.6268 0.8903 0.0670  -0.2186 0.1030  228 GLN A CG  
683 C CD  . GLN A 104 ? 0.7466 0.5320 1.0129 0.0946  -0.2602 0.1088  228 GLN A CD  
684 O OE1 . GLN A 104 ? 0.9283 0.4062 0.7312 0.0601  -0.3205 -0.0124 228 GLN A OE1 
685 N NE2 . GLN A 104 ? 0.8918 0.7107 1.1905 0.1621  -0.3570 0.0077  228 GLN A NE2 
686 N N   . LEU A 105 ? 0.2764 0.2696 0.3890 0.0238  -0.0414 0.0703  229 LEU A N   
687 C CA  . LEU A 105 ? 0.2335 0.2975 0.3494 0.0167  -0.0076 0.0506  229 LEU A CA  
688 C C   . LEU A 105 ? 0.3073 0.2681 0.3561 0.0391  0.0038  0.1075  229 LEU A C   
689 O O   . LEU A 105 ? 0.2591 0.3085 0.4003 0.0374  0.0116  0.0747  229 LEU A O   
690 C CB  . LEU A 105 ? 0.2582 0.2708 0.3661 0.0321  -0.0460 0.0472  229 LEU A CB  
691 C CG  . LEU A 105 ? 0.2365 0.3213 0.3612 0.0772  0.0240  0.0725  229 LEU A CG  
692 C CD1 . LEU A 105 ? 0.3328 0.2677 0.4154 0.0453  0.0316  0.0893  229 LEU A CD1 
693 C CD2 . LEU A 105 ? 0.3372 0.2849 0.3589 0.0443  0.0031  0.0803  229 LEU A CD2 
694 N N   . VAL A 106 ? 0.2723 0.2687 0.3423 0.0243  0.0071  0.0369  230 VAL A N   
695 C CA  . VAL A 106 ? 0.2646 0.2548 0.3418 0.0458  -0.0410 0.0047  230 VAL A CA  
696 C C   . VAL A 106 ? 0.2761 0.3378 0.3022 0.0257  -0.0011 0.0445  230 VAL A C   
697 O O   . VAL A 106 ? 0.3123 0.2946 0.3358 0.0385  -0.0090 0.0279  230 VAL A O   
698 C CB  . VAL A 106 ? 0.2713 0.2253 0.3246 0.0382  0.0130  0.0338  230 VAL A CB  
699 C CG1 . VAL A 106 ? 0.3460 0.2451 0.3029 0.0142  0.0332  0.0077  230 VAL A CG1 
700 C CG2 . VAL A 106 ? 0.2824 0.2751 0.3259 0.0174  0.0373  0.0021  230 VAL A CG2 
701 N N   . ALA A 107 ? 0.3036 0.3540 0.3354 0.0460  -0.0201 0.0421  231 ALA A N   
702 C CA  . ALA A 107 ? 0.4282 0.2806 0.4143 0.1129  0.0127  0.1144  231 ALA A CA  
703 C C   . ALA A 107 ? 0.3739 0.2754 0.3392 0.0071  -0.0587 0.0586  231 ALA A C   
704 O O   . ALA A 107 ? 0.3806 0.2955 0.3838 0.0903  0.0008  0.0393  231 ALA A O   
705 C CB  . ALA A 107 ? 0.3637 0.3287 0.3510 0.0677  -0.0188 0.0821  231 ALA A CB  
706 N N   . TYR A 108 ? 0.2726 0.3053 0.3871 0.0659  -0.0349 0.0340  232 TYR A N   
707 C CA  . TYR A 108 ? 0.2909 0.3354 0.4565 0.0845  0.0400  0.0456  232 TYR A CA  
708 C C   . TYR A 108 ? 0.3632 0.3672 0.3783 0.0073  0.0038  0.0792  232 TYR A C   
709 O O   . TYR A 108 ? 0.3536 0.3874 0.4334 0.0886  -0.0356 0.0127  232 TYR A O   
710 C CB  . TYR A 108 ? 0.3274 0.3979 0.4021 0.1304  -0.0406 0.0497  232 TYR A CB  
711 C CG  . TYR A 108 ? 0.2767 0.4505 0.4928 0.0917  -0.0022 0.0268  232 TYR A CG  
712 C CD1 . TYR A 108 ? 0.2496 0.4321 0.5022 0.0519  -0.0120 0.0451  232 TYR A CD1 
713 C CD2 . TYR A 108 ? 0.3504 0.3670 0.5514 0.0629  -0.0951 0.0769  232 TYR A CD2 
714 C CE1 . TYR A 108 ? 0.2925 0.4671 0.5275 0.0664  0.0083  0.0306  232 TYR A CE1 
715 C CE2 . TYR A 108 ? 0.2325 0.5581 0.6566 0.0815  -0.0368 0.1025  232 TYR A CE2 
716 C CZ  . TYR A 108 ? 0.3247 0.6219 0.5418 -0.0014 -0.0672 0.0402  232 TYR A CZ  
717 O OH  . TYR A 108 ? 0.3549 0.4983 0.7161 0.0194  0.0806  0.0965  232 TYR A OH  
718 N N   . TYR A 109 ? 0.3293 0.3225 0.4002 0.1138  -0.0208 0.0787  233 TYR A N   
719 C CA  . TYR A 109 ? 0.2090 0.3411 0.3779 0.0536  0.0533  0.0305  233 TYR A CA  
720 C C   . TYR A 109 ? 0.3002 0.3124 0.3587 0.0946  0.0053  0.0416  233 TYR A C   
721 O O   . TYR A 109 ? 0.2965 0.3324 0.3886 0.0655  0.0383  0.0170  233 TYR A O   
722 C CB  . TYR A 109 ? 0.2798 0.2918 0.3833 0.0708  0.0071  0.0491  233 TYR A CB  
723 C CG  . TYR A 109 ? 0.2273 0.3428 0.3735 0.0670  0.0209  0.0463  233 TYR A CG  
724 C CD1 . TYR A 109 ? 0.2861 0.2671 0.4213 0.0575  0.0651  0.0232  233 TYR A CD1 
725 C CD2 . TYR A 109 ? 0.3643 0.2877 0.3722 0.0641  0.0662  0.0559  233 TYR A CD2 
726 C CE1 . TYR A 109 ? 0.2288 0.3764 0.4925 0.0190  0.0428  0.0901  233 TYR A CE1 
727 C CE2 . TYR A 109 ? 0.2939 0.2865 0.4793 0.0837  0.0403  0.0709  233 TYR A CE2 
728 C CZ  . TYR A 109 ? 0.2864 0.3867 0.4099 0.0629  0.0055  0.0301  233 TYR A CZ  
729 O OH  . TYR A 109 ? 0.2662 0.3569 0.5498 -0.0087 0.0021  0.0762  233 TYR A OH  
730 N N   . SER A 110 ? 0.3979 0.2775 0.3677 0.0903  -0.0088 0.0300  234 SER A N   
731 C CA  . SER A 110 ? 0.3110 0.2577 0.3944 0.0821  -0.0192 0.0243  234 SER A CA  
732 C C   . SER A 110 ? 0.2740 0.3166 0.4516 0.0114  -0.0215 0.0226  234 SER A C   
733 O O   . SER A 110 ? 0.4530 0.2681 0.4495 0.0579  0.0092  -0.0002 234 SER A O   
734 C CB  . SER A 110 ? 0.4200 0.2797 0.3328 -0.0276 0.0128  0.0525  234 SER A CB  
735 O OG  . SER A 110 ? 0.4200 0.3356 0.3897 0.0248  0.0040  0.0729  234 SER A OG  
736 N N   . LYS A 111 ? 0.3246 0.3471 0.5561 0.1041  0.0142  0.0013  235 LYS A N   
737 C CA  . LYS A 111 ? 0.4810 0.2583 0.6531 0.1199  -0.0061 -0.0120 235 LYS A CA  
738 C C   . LYS A 111 ? 0.5779 0.3420 0.5680 0.0119  0.0243  -0.0509 235 LYS A C   
739 O O   . LYS A 111 ? 0.4711 0.4608 0.7804 0.1263  -0.1634 -0.1240 235 LYS A O   
740 C CB  . LYS A 111 ? 0.4438 0.5034 0.5838 0.1660  -0.1830 -0.0656 235 LYS A CB  
741 C CG  . LYS A 111 ? 0.8529 0.6577 0.8390 0.0998  0.1310  0.1547  235 LYS A CG  
742 N N   . HIS A 112 ? 0.3721 0.4191 0.7509 0.0876  -0.0282 0.0596  236 HIS A N   
743 C CA  . HIS A 112 ? 0.5886 0.5781 0.7067 -0.0622 0.0455  0.1265  236 HIS A CA  
744 C C   . HIS A 112 ? 0.2940 0.5063 0.6151 0.0194  0.0466  -0.0096 236 HIS A C   
745 O O   . HIS A 112 ? 0.3789 0.5269 0.5283 0.1060  0.0588  0.0785  236 HIS A O   
746 C CB  . HIS A 112 ? 0.6533 0.9317 0.9475 -0.1363 -0.3400 0.1287  236 HIS A CB  
747 C CG  . HIS A 112 ? 1.5485 1.5841 0.5244 -0.1719 -0.1481 0.3530  236 HIS A CG  
748 N ND1 . HIS A 112 ? 0.5768 1.2387 0.8449 -0.1936 -0.1830 0.0925  236 HIS A ND1 
749 C CD2 . HIS A 112 ? 1.0036 0.6488 2.2311 0.3217  0.2052  -0.2193 236 HIS A CD2 
750 C CE1 . HIS A 112 ? 2.3142 1.3328 1.0781 0.1555  -0.1439 0.1946  236 HIS A CE1 
751 N NE2 . HIS A 112 ? 1.4571 0.8362 0.6380 0.3762  -0.1602 0.3313  236 HIS A NE2 
752 N N   . ALA A 113 ? 0.2891 0.4551 0.5489 0.1036  0.0678  -0.0259 237 ALA A N   
753 C CA  . ALA A 113 ? 0.2652 0.4102 0.6246 0.0338  0.0951  0.0457  237 ALA A CA  
754 C C   . ALA A 113 ? 0.4307 0.5049 0.4838 -0.0571 0.0336  -0.0744 237 ALA A C   
755 O O   . ALA A 113 ? 0.2973 0.5409 0.5660 0.0544  0.0710  -0.0208 237 ALA A O   
756 C CB  . ALA A 113 ? 0.2795 0.3612 0.7372 0.0261  0.0671  -0.0004 237 ALA A CB  
757 N N   . ASP A 114 ? 0.3133 0.5564 0.7092 0.0707  -0.0521 0.0105  238 ASP A N   
758 C CA  . ASP A 114 ? 0.2975 0.6544 0.5257 0.0700  0.1036  0.0064  238 ASP A CA  
759 C C   . ASP A 114 ? 0.4095 0.5534 0.5994 -0.0224 -0.0248 0.0702  238 ASP A C   
760 O O   . ASP A 114 ? 0.4366 0.6208 0.6981 -0.0815 0.0576  0.0191  238 ASP A O   
761 C CB  . ASP A 114 ? 0.3087 0.5746 0.6750 0.0209  0.0830  -0.0413 238 ASP A CB  
762 C CG  . ASP A 114 ? 0.4417 0.6997 0.7833 -0.0960 -0.0223 -0.0643 238 ASP A CG  
763 O OD1 . ASP A 114 ? 0.4617 0.8444 0.8549 0.0831  0.0474  0.0454  238 ASP A OD1 
764 O OD2 . ASP A 114 ? 0.3596 0.6125 0.8193 -0.0143 0.0329  0.0114  238 ASP A OD2 
765 N N   . GLY A 115 ? 0.2462 0.5190 0.6760 -0.0091 0.0672  -0.0666 239 GLY A N   
766 C CA  . GLY A 115 ? 0.3958 0.7502 0.6391 -0.0682 0.0036  0.1119  239 GLY A CA  
767 C C   . GLY A 115 ? 0.4624 0.5679 0.8024 0.0016  0.0420  0.1342  239 GLY A C   
768 O O   . GLY A 115 ? 0.4940 0.7054 0.6999 -0.0007 0.1966  0.1081  239 GLY A O   
769 N N   . LEU A 116 ? 0.4514 0.5167 0.4817 -0.0324 0.0909  0.0537  240 LEU A N   
770 C CA  . LEU A 116 ? 0.4729 0.3607 0.4578 0.0146  0.0291  0.0153  240 LEU A CA  
771 C C   . LEU A 116 ? 0.3423 0.5243 0.4129 -0.0213 0.1030  0.0051  240 LEU A C   
772 O O   . LEU A 116 ? 0.3111 0.4873 0.5291 0.0149  0.0942  -0.0632 240 LEU A O   
773 C CB  . LEU A 116 ? 0.3313 0.3624 0.4732 0.0027  0.1016  0.0810  240 LEU A CB  
774 C CG  . LEU A 116 ? 0.4074 0.3873 0.3894 0.0874  0.0070  0.0019  240 LEU A CG  
775 C CD1 . LEU A 116 ? 0.3746 0.4112 0.4431 0.1154  0.0919  0.0900  240 LEU A CD1 
776 C CD2 . LEU A 116 ? 0.4385 0.4266 0.4241 0.0646  0.0982  -0.0164 240 LEU A CD2 
777 N N   . SER A 117 ? 0.3382 0.4496 0.4009 0.0413  0.0372  -0.0237 241 SER A N   
778 C CA  . SER A 117 ? 0.3194 0.4851 0.3994 0.0181  0.1346  0.0049  241 SER A CA  
779 C C   . SER A 117 ? 0.3829 0.3676 0.4114 0.0723  0.0752  0.0417  241 SER A C   
780 O O   . SER A 117 ? 0.3782 0.3940 0.5231 0.0615  0.0926  -0.0454 241 SER A O   
781 C CB  . SER A 117 ? 0.5620 0.2965 0.5059 0.0345  -0.1092 -0.0515 241 SER A CB  
782 O OG  . SER A 117 ? 0.5355 0.4455 0.5591 0.0418  0.1438  0.0125  241 SER A OG  
783 N N   . HIS A 118 ? 0.3781 0.3840 0.4378 0.0149  0.1297  0.0097  242 HIS A N   
784 C CA  . HIS A 118 ? 0.3057 0.3892 0.4285 0.0215  0.0801  -0.0069 242 HIS A CA  
785 C C   . HIS A 118 ? 0.2864 0.3782 0.3677 -0.0120 0.0772  -0.0336 242 HIS A C   
786 O O   . HIS A 118 ? 0.3310 0.3206 0.4060 0.0721  0.0721  0.0114  242 HIS A O   
787 C CB  . HIS A 118 ? 0.3111 0.3827 0.4114 0.0222  0.0521  -0.0136 242 HIS A CB  
788 C CG  . HIS A 118 ? 0.3167 0.4678 0.4876 0.0659  -0.0009 0.0243  242 HIS A CG  
789 N ND1 . HIS A 118 ? 0.3971 0.3293 0.4436 0.0573  0.0311  -0.0228 242 HIS A ND1 
790 C CD2 . HIS A 118 ? 0.5749 0.3684 0.4382 0.0977  0.0797  -0.0080 242 HIS A CD2 
791 C CE1 . HIS A 118 ? 0.5187 0.3104 0.4617 0.0305  -0.0326 -0.0468 242 HIS A CE1 
792 N NE2 . HIS A 118 ? 0.5317 0.3510 0.4513 0.0810  0.0554  -0.0545 242 HIS A NE2 
793 N N   . ARG A 119 ? 0.3284 0.3531 0.4168 0.0878  0.0532  0.0144  243 ARG A N   
794 C CA  . ARG A 119 ? 0.3665 0.3199 0.3813 0.1098  0.0459  0.0068  243 ARG A CA  
795 C C   . ARG A 119 ? 0.2904 0.3073 0.3380 0.0555  0.0682  0.0006  243 ARG A C   
796 O O   . ARG A 119 ? 0.3525 0.3256 0.3758 0.0365  0.0525  -0.0326 243 ARG A O   
797 C CB  . ARG A 119 ? 0.3337 0.3578 0.4148 0.0462  0.0119  -0.0477 243 ARG A CB  
798 C CG  . ARG A 119 ? 0.3227 0.3598 0.4388 0.0650  0.0257  -0.0132 243 ARG A CG  
799 C CD  . ARG A 119 ? 0.4340 0.3341 0.5607 0.0947  0.0254  -0.0365 243 ARG A CD  
800 N NE  . ARG A 119 ? 0.4612 0.4227 0.5211 0.1380  0.0768  -0.0283 243 ARG A NE  
801 C CZ  . ARG A 119 ? 0.5639 0.5408 0.4795 -0.0125 0.1075  -0.0609 243 ARG A CZ  
802 N NH1 . ARG A 119 ? 0.7367 0.5837 0.5614 0.0050  0.1733  -0.0596 243 ARG A NH1 
803 N NH2 . ARG A 119 ? 0.8842 0.5046 0.6599 -0.0219 0.1480  -0.0593 243 ARG A NH2 
804 N N   . LEU A 120 ? 0.3297 0.2769 0.3260 0.0411  0.0405  0.0244  244 LEU A N   
805 C CA  . LEU A 120 ? 0.2634 0.2618 0.3854 0.0212  -0.0048 0.0338  244 LEU A CA  
806 C C   . LEU A 120 ? 0.3141 0.2686 0.3607 0.0386  -0.0015 -0.0334 244 LEU A C   
807 O O   . LEU A 120 ? 0.3562 0.3275 0.4221 0.0595  -0.0044 0.0532  244 LEU A O   
808 C CB  . LEU A 120 ? 0.3679 0.2898 0.3299 0.0485  0.0057  0.0175  244 LEU A CB  
809 C CG  . LEU A 120 ? 0.2337 0.3082 0.3569 0.0630  0.0115  0.0113  244 LEU A CG  
810 C CD1 . LEU A 120 ? 0.3023 0.2677 0.3337 0.0703  0.0377  0.0377  244 LEU A CD1 
811 C CD2 . LEU A 120 ? 0.3264 0.3319 0.3519 0.0363  0.0244  0.0468  244 LEU A CD2 
812 N N   . THR A 121 ? 0.3979 0.2316 0.3312 0.0730  -0.0174 0.0245  245 THR A N   
813 C CA  . THR A 121 ? 0.4759 0.2146 0.3813 0.0788  -0.0234 0.0292  245 THR A CA  
814 C C   . THR A 121 ? 0.4526 0.3190 0.3479 0.0126  0.0006  -0.0171 245 THR A C   
815 O O   . THR A 121 ? 0.5616 0.2724 0.3981 0.0470  -0.0049 0.0206  245 THR A O   
816 C CB  . THR A 121 ? 0.4607 0.2018 0.3730 0.0627  0.0003  -0.0570 245 THR A CB  
817 O OG1 . THR A 121 ? 0.4715 0.2465 0.4032 0.0791  0.0037  -0.0248 245 THR A OG1 
818 C CG2 . THR A 121 ? 0.4664 0.3111 0.4149 0.1872  0.0565  0.0542  245 THR A CG2 
819 N N   . THR A 122 ? 0.4327 0.2542 0.3481 0.0397  -0.0118 0.0029  246 THR A N   
820 C CA  . THR A 122 ? 0.4275 0.2243 0.3697 0.0816  0.0521  -0.0039 246 THR A CA  
821 C C   . THR A 122 ? 0.3554 0.2520 0.2958 -0.0003 0.0420  -0.0061 246 THR A C   
822 O O   . THR A 122 ? 0.4540 0.2505 0.3241 -0.0157 0.0101  0.0244  246 THR A O   
823 C CB  . THR A 122 ? 0.3649 0.2782 0.3275 0.0201  -0.0139 -0.0199 246 THR A CB  
824 O OG1 . THR A 122 ? 0.4746 0.2864 0.3833 0.0224  0.0066  -0.0594 246 THR A OG1 
825 C CG2 . THR A 122 ? 0.5262 0.2631 0.3676 -0.0514 -0.0130 -0.0437 246 THR A CG2 
826 N N   . VAL A 123 ? 0.3748 0.1988 0.3500 0.0301  0.0385  -0.0013 247 VAL A N   
827 C CA  . VAL A 123 ? 0.3536 0.2200 0.3696 -0.0133 0.0335  0.0024  247 VAL A CA  
828 C C   . VAL A 123 ? 0.3450 0.2648 0.3930 0.0000  0.0143  0.0077  247 VAL A C   
829 O O   . VAL A 123 ? 0.4195 0.2507 0.4696 -0.0247 -0.0468 -0.0014 247 VAL A O   
830 C CB  . VAL A 123 ? 0.4584 0.2281 0.3988 -0.0653 0.0791  -0.0067 247 VAL A CB  
831 C CG1 . VAL A 123 ? 0.4203 0.2476 0.3665 -0.0194 0.0394  -0.0116 247 VAL A CG1 
832 C CG2 . VAL A 123 ? 0.4314 0.2517 0.3612 -0.0264 0.0228  0.0015  247 VAL A CG2 
833 N N   . SER A 124 ? 0.3909 0.1880 0.3989 0.0203  -0.0365 -0.0096 248 SER A N   
834 C CA  . SER A 124 ? 0.3614 0.2790 0.4240 -0.0155 -0.0137 0.0320  248 SER A CA  
835 C C   . SER A 124 ? 0.4562 0.3274 0.4686 -0.0457 -0.0191 0.0486  248 SER A C   
836 O O   . SER A 124 ? 0.3194 0.3446 0.5237 -0.0759 0.0134  0.0698  248 SER A O   
837 C CB  . SER A 124 ? 0.3475 0.2026 0.4654 0.0092  -0.0428 0.0046  248 SER A CB  
838 O OG  . SER A 124 ? 0.3290 0.3177 0.4089 0.0178  -0.0141 -0.0067 248 SER A OG  
839 N N   . PRO A 125 ? 0.3910 0.3962 0.6945 -0.1206 -0.1203 -0.0258 249 PRO A N   
840 C CA  . PRO A 125 ? 0.4658 0.8748 0.7409 -0.0332 -0.0140 -0.0360 249 PRO A CA  
841 C C   . PRO A 125 ? 0.6169 0.7779 0.9137 -0.0146 -0.0870 -0.0954 249 PRO A C   
842 O O   . PRO A 125 ? 0.3382 0.7704 0.6050 -0.0475 -0.0475 0.0058  249 PRO A O   
843 C CB  . PRO A 125 ? 0.5523 0.8903 0.7616 -0.1213 0.1132  -0.1523 249 PRO A CB  
844 C CG  . PRO A 125 ? 0.7692 0.8560 0.9453 -0.4002 -0.0456 -0.2923 249 PRO A CG  
845 C CD  . PRO A 125 ? 1.6235 1.1510 0.8134 0.2421  0.6286  -0.6722 249 PRO A CD  
846 N N   . THR A 126 ? 0.7716 0.9587 1.1175 -0.1138 -0.1104 0.2681  250 THR A N   
847 C CA  . THR A 126 ? 0.7103 0.1607 0.9330 -0.0146 -0.0112 -0.0055 250 THR A CA  
848 C C   . THR A 126 ? 0.6795 1.2962 1.4603 0.1751  0.1639  0.4955  250 THR A C   
849 O O   . THR A 126 ? 0.9372 1.3754 1.0623 0.2841  0.4071  0.2216  250 THR A O   
850 C CB  . THR A 126 ? 0.9337 0.9824 0.7064 0.3266  0.3119  -0.0615 250 THR A CB  
851 O OG1 . THR A 126 ? 0.6899 0.7647 0.9653 -0.0494 0.2142  -0.0836 250 THR A OG1 
852 C CG2 . THR A 126 ? 0.9760 1.4550 0.9338 0.1063  -0.1468 -0.1647 250 THR A CG2 
853 N N   . SER A 127 ? 0.8201 0.8361 1.1550 -0.1342 -0.0102 0.2325  251 SER A N   
854 C CA  . SER A 127 ? 0.4600 0.9079 1.5313 -0.3033 -0.0893 0.1212  251 SER A CA  
855 C C   . SER A 127 ? 0.8222 0.9700 1.5721 -0.0612 -0.0239 0.1469  251 SER A C   
856 O O   . SER A 127 ? 0.6002 1.2563 0.7725 0.0077  -0.0377 -0.0409 251 SER A O   
857 C CB  . SER A 127 ? 0.4957 0.8481 1.3497 0.2013  -0.3219 -0.1213 251 SER A CB  
858 O OG  . SER A 127 ? 0.4770 0.6879 1.3190 0.0287  -0.0400 -0.2023 251 SER A OG  
859 O O   . HOH B .   ? 0.3691 0.3852 0.6165 0.0116  -0.0977 -0.0430 301 HOH A O   
860 O O   . HOH B .   ? 0.4692 0.4725 1.2224 -0.0679 0.1282  0.0902  302 HOH A O   
861 O O   . HOH B .   ? 0.5099 0.5645 0.8293 0.0878  0.1265  0.1457  303 HOH A O   
862 O O   . HOH B .   ? 0.5048 0.7866 0.4994 -0.0981 -0.0256 -0.0838 304 HOH A O   
863 O O   . HOH B .   ? 0.6709 0.9747 0.7255 -0.1751 -0.1496 -0.0218 305 HOH A O   
864 O O   . HOH B .   ? 0.5136 0.5406 1.2007 0.0503  0.1523  0.1710  306 HOH A O   
865 O O   . HOH B .   ? 0.3368 0.4503 0.9959 -0.0318 0.1269  0.0241  307 HOH A O   
866 O O   . HOH B .   ? 0.5432 0.3838 0.4526 -0.1480 0.0601  0.0262  308 HOH A O   
867 O O   . HOH B .   ? 0.6737 0.5410 0.8865 -0.0251 0.2078  -0.0217 309 HOH A O   
868 O O   . HOH B .   ? 0.5453 0.4710 0.4157 -0.1324 0.0678  -0.1178 310 HOH A O   
869 O O   . HOH B .   ? 0.5876 0.6457 0.6373 -0.1356 -0.1142 0.0794  311 HOH A O   
870 O O   . HOH B .   ? 0.5050 0.5674 0.7723 0.0930  -0.0397 -0.1830 312 HOH A O   
871 O O   . HOH B .   ? 0.7525 0.4551 1.0996 0.0049  -0.2797 0.0652  313 HOH A O   
872 O O   . HOH B .   ? 0.6645 0.4391 0.6421 0.0502  0.1022  0.1169  314 HOH A O   
873 O O   . HOH B .   ? 0.3376 0.7803 0.5905 -0.0064 -0.0171 0.0837  315 HOH A O   
874 O O   . HOH B .   ? 0.5300 0.4123 0.5456 -0.0318 -0.0648 0.1097  316 HOH A O   
875 O O   . HOH B .   ? 0.7503 0.5594 0.7127 -0.2105 -0.1641 0.1190  317 HOH A O   
876 O O   . HOH B .   ? 0.5155 0.6652 0.6575 -0.1302 -0.0867 0.0481  318 HOH A O   
877 O O   . HOH B .   ? 0.4275 0.3509 0.4619 -0.0852 0.0323  -0.0474 319 HOH A O   
878 O O   . HOH B .   ? 0.9230 0.4581 0.5963 0.1858  -0.0621 -0.0886 320 HOH A O   
879 O O   . HOH B .   ? 0.4576 0.7320 0.7521 0.0536  -0.0415 0.3086  321 HOH A O   
880 O O   . HOH B .   ? 0.7041 0.5197 0.5221 0.1620  0.0749  0.0587  322 HOH A O   
881 O O   . HOH B .   ? 0.2148 0.3632 0.5367 0.0357  -0.0222 0.0782  323 HOH A O   
882 O O   . HOH B .   ? 0.6046 0.4908 0.4958 0.0852  0.1185  0.0543  324 HOH A O   
883 O O   . HOH B .   ? 0.6977 0.4034 0.5318 0.1567  0.0401  0.0806  325 HOH A O   
884 O O   . HOH B .   ? 0.6674 0.2654 0.4702 0.0464  -0.0004 -0.0338 326 HOH A O   
885 O O   . HOH B .   ? 0.3222 0.3267 0.4702 0.0679  0.0945  0.0238  327 HOH A O   
886 O O   . HOH B .   ? 0.3746 1.0360 0.8911 0.2276  -0.1474 0.1269  328 HOH A O   
887 O O   . HOH B .   ? 0.7833 0.5257 1.0822 0.1093  0.1439  0.0764  329 HOH A O   
888 O O   . HOH B .   ? 0.5787 0.3802 0.4124 0.1280  0.1262  0.0746  330 HOH A O   
889 O O   . HOH B .   ? 0.5423 0.2994 0.3354 0.0228  -0.0298 -0.0662 331 HOH A O   
890 O O   . HOH B .   ? 0.8416 0.5180 0.6630 0.1022  -0.0154 0.0273  332 HOH A O   
891 O O   . HOH B .   ? 0.3992 0.4822 0.6710 0.0854  0.0352  -0.0263 333 HOH A O   
892 O O   . HOH B .   ? 0.4669 0.5882 0.9742 0.0338  0.0350  -0.0335 334 HOH A O   
893 O O   . HOH B .   ? 0.8943 0.4536 0.7636 0.0501  0.0596  -0.1269 335 HOH A O   
894 O O   . HOH B .   ? 0.5030 0.3525 0.4269 -0.0101 -0.0513 -0.0486 336 HOH A O   
895 O O   . HOH B .   ? 1.3561 0.9068 0.9202 -0.4081 -0.0712 -0.0735 337 HOH A O   
896 O O   . HOH B .   ? 0.5044 0.4207 0.5959 0.0036  0.0865  -0.1018 338 HOH A O   
897 O O   . HOH B .   ? 0.5877 0.3483 0.5161 0.0336  -0.0220 0.0189  339 HOH A O   
898 O O   . HOH B .   ? 0.3679 0.4039 0.4534 0.0445  0.0727  0.0173  340 HOH A O   
899 O O   . HOH B .   ? 0.5281 0.2317 0.5981 -0.0290 0.1523  0.0033  341 HOH A O   
900 O O   . HOH B .   ? 0.6486 0.6383 0.3728 -0.2865 -0.0515 0.0847  342 HOH A O   
901 O O   . HOH B .   ? 0.3015 0.3050 0.5074 -0.0330 0.0685  -0.0070 343 HOH A O   
902 O O   . HOH B .   ? 0.5116 0.2811 0.7553 -0.0670 -0.1794 -0.0394 344 HOH A O   
903 O O   . HOH B .   ? 0.7791 0.3755 0.6885 -0.0772 -0.2778 0.0966  345 HOH A O   
904 O O   . HOH B .   ? 0.6055 0.6885 0.5629 -0.0762 -0.1238 0.1415  346 HOH A O   
905 O O   . HOH B .   ? 0.6683 0.3483 0.6291 -0.0097 -0.0923 0.0916  347 HOH A O   
906 O O   . HOH B .   ? 0.5353 0.2563 0.6254 0.0539  -0.0179 -0.0296 348 HOH A O   
907 O O   . HOH B .   ? 0.5674 0.5623 0.5938 -0.1750 -0.0641 -0.1352 349 HOH A O   
908 O O   . HOH B .   ? 0.4945 0.7949 0.6207 0.0038  0.0665  0.2601  350 HOH A O   
909 O O   . HOH B .   ? 0.6316 0.7651 0.8930 0.1242  -0.2070 0.0924  351 HOH A O   
910 O O   . HOH B .   ? 0.4558 0.2742 0.5779 0.0785  -0.0851 -0.0345 352 HOH A O   
911 O O   . HOH B .   ? 0.7998 0.3935 0.5212 -0.1145 0.2586  0.0119  353 HOH A O   
912 O O   . HOH B .   ? 0.4916 0.4309 0.8215 -0.0282 0.1711  0.1218  354 HOH A O   
913 O O   . HOH B .   ? 0.5085 0.2936 0.5396 0.0362  -0.0643 0.0790  355 HOH A O   
914 O O   . HOH B .   ? 1.0829 0.5617 0.7583 -0.1484 0.3946  -0.0244 356 HOH A O   
915 O O   . HOH B .   ? 0.7113 0.7894 1.0859 -0.0735 0.0031  -0.2318 357 HOH A O   
916 O O   . HOH B .   ? 0.6476 0.8075 0.6987 -0.0747 0.0686  0.3073  358 HOH A O   
917 O O   . HOH B .   ? 1.2438 0.8462 0.9130 -0.0863 -0.0041 -0.3507 359 HOH A O   
918 O O   . HOH B .   ? 0.6315 0.3396 1.0014 -0.1048 -0.0976 0.2161  360 HOH A O   
919 O O   . HOH B .   ? 0.8658 0.5111 0.8797 0.2105  0.4401  0.1349  361 HOH A O   
920 O O   . HOH B .   ? 0.5011 0.6394 0.6814 0.0232  -0.1063 -0.0452 362 HOH A O   
921 O O   . HOH B .   ? 0.6462 0.3380 0.3521 -0.0248 -0.0459 0.0584  363 HOH A O   
922 O O   . HOH B .   ? 0.4195 0.4427 0.7749 0.0768  -0.0891 -0.0486 364 HOH A O   
923 O O   . HOH B .   ? 0.5788 0.7169 0.7113 0.0277  0.1235  0.0878  365 HOH A O   
924 O O   . HOH B .   ? 0.5453 0.5787 0.7022 -0.0142 0.1801  0.0605  366 HOH A O   
925 O O   . HOH B .   ? 0.4732 0.3697 0.5413 -0.0261 -0.0899 0.1252  367 HOH A O   
926 O O   . HOH B .   ? 0.7330 0.5604 0.9630 0.1488  -0.2333 0.1205  368 HOH A O   
927 O O   . HOH B .   ? 0.4867 0.6900 0.6957 0.0631  -0.1988 -0.0990 369 HOH A O   
928 O O   . HOH B .   ? 0.4146 0.5433 0.7110 0.1175  0.0444  -0.1127 370 HOH A O   
929 O O   . HOH B .   ? 0.3657 0.3251 0.5781 0.0181  -0.1183 -0.0464 371 HOH A O   
930 O O   . HOH B .   ? 0.7406 0.4649 0.4446 0.1297  -0.0673 0.0964  372 HOH A O   
931 O O   . HOH B .   ? 0.3591 0.2638 0.5276 0.0034  0.0210  0.0297  373 HOH A O   
932 O O   . HOH B .   ? 0.4291 0.2729 0.4373 -0.0302 0.0371  -0.0175 374 HOH A O   
933 O O   . HOH B .   ? 0.4653 0.3244 0.5522 0.0364  -0.0333 0.1144  375 HOH A O   
934 O O   . HOH B .   ? 0.5879 0.4133 0.5795 -0.0840 0.0661  0.0089  376 HOH A O   
935 O O   . HOH B .   ? 0.6340 0.6358 0.6703 0.0051  0.0457  0.0589  377 HOH A O   
936 O O   . HOH B .   ? 0.7114 0.3745 0.5440 -0.1103 -0.1568 -0.0031 378 HOH A O   
937 O O   . HOH B .   ? 0.5776 0.6440 0.4757 -0.0564 -0.0732 -0.1413 379 HOH A O   
938 O O   . HOH B .   ? 0.3281 0.7399 0.8448 0.0319  -0.1166 0.1916  380 HOH A O   
939 O O   . HOH B .   ? 0.4340 0.5580 0.8374 -0.1101 0.0755  0.1651  381 HOH A O   
940 O O   . HOH B .   ? 0.5337 0.5926 0.7588 -0.1403 0.1131  -0.0947 382 HOH A O   
941 O O   . HOH B .   ? 0.5349 0.3489 0.6807 -0.0852 0.0223  0.0190  383 HOH A O   
942 O O   . HOH B .   ? 0.3718 0.4193 0.4735 0.1612  0.0264  -0.0539 384 HOH A O   
943 O O   . HOH B .   ? 0.7082 0.8879 0.4700 -0.0233 -0.0859 0.1176  385 HOH A O   
944 O O   . HOH B .   ? 0.5036 0.2655 0.3707 -0.0457 0.0064  -0.0186 386 HOH A O   
945 O O   . HOH B .   ? 0.4338 0.6263 0.6656 -0.1524 0.1418  0.1092  387 HOH A O   
946 O O   . HOH B .   ? 0.7695 1.2056 1.4759 0.2112  0.1603  0.0584  388 HOH A O   
947 O O   . HOH B .   ? 0.4307 0.3505 0.6101 -0.0933 0.0755  -0.0031 389 HOH A O   
948 O O   . HOH B .   ? 0.6153 0.7943 0.9622 0.2717  0.2282  0.2763  390 HOH A O   
949 O O   . HOH B .   ? 0.3187 0.3992 0.5596 0.0175  0.0392  0.0473  391 HOH A O   
950 O O   . HOH B .   ? 0.5580 0.9585 0.6514 -0.0252 0.1219  -0.0773 392 HOH A O   
951 O O   . HOH B .   ? 0.7787 0.6038 0.8703 0.0388  0.1758  -0.0006 393 HOH A O   
952 O O   . HOH B .   ? 0.4866 0.5366 0.7373 0.0610  0.1845  -0.1176 394 HOH A O   
953 O O   . HOH B .   ? 1.2366 0.6698 0.7317 0.0407  -0.0836 0.1413  395 HOH A O   
954 O O   . HOH B .   ? 0.2630 0.1736 0.5194 0.0081  0.0504  0.0304  396 HOH A O   
955 O O   . HOH B .   ? 0.6065 1.2351 0.8664 0.3584  -0.1853 -0.4642 397 HOH A O   
956 O O   . HOH B .   ? 0.4356 0.5820 0.7248 0.0544  0.0445  0.0512  398 HOH A O   
957 O O   . HOH B .   ? 0.5218 0.5828 0.8874 0.0263  0.2361  -0.1610 399 HOH A O   
958 O O   . HOH B .   ? 0.4698 0.7675 0.8754 -0.0112 -0.0028 -0.0907 400 HOH A O   
959 O O   . HOH B .   ? 0.6460 0.4178 0.5525 -0.0043 -0.0404 0.1357  401 HOH A O   
960 O O   . HOH B .   ? 0.9687 0.9220 1.4841 -0.1716 -0.1833 0.1751  402 HOH A O   
961 O O   . HOH B .   ? 0.6409 0.5169 0.5894 -0.0162 0.2095  0.0114  403 HOH A O   
962 O O   . HOH B .   ? 0.5870 0.6088 0.6844 0.0346  0.0664  -0.0204 404 HOH A O   
963 O O   . HOH B .   ? 0.4524 0.6355 0.7487 -0.0056 -0.1359 0.0695  405 HOH A O   
964 O O   . HOH B .   ? 0.5550 1.1934 0.5853 -0.0443 0.1787  -0.3421 406 HOH A O   
965 O O   . HOH B .   ? 1.2045 0.5598 0.7622 -0.2398 0.1049  0.1014  407 HOH A O   
966 O O   . HOH B .   ? 0.7575 0.3990 0.8038 0.0354  0.0427  -0.0414 408 HOH A O   
967 O O   . HOH B .   ? 0.9054 0.6500 0.7640 0.2695  -0.1200 -0.1894 409 HOH A O   
968 O O   . HOH B .   ? 1.0933 0.4838 0.6682 0.0982  0.0745  0.1980  410 HOH A O   
969 O O   . HOH B .   ? 0.5320 0.5823 1.0714 0.0396  -0.0721 0.0908  411 HOH A O   
970 O O   . HOH B .   ? 0.4832 0.3240 0.4503 -0.0047 -0.0042 0.0620  412 HOH A O   
971 O O   . HOH B .   ? 0.6282 0.4437 0.8823 0.0918  0.2178  0.0689  413 HOH A O   
972 O O   . HOH B .   ? 0.7530 0.3783 0.6567 -0.1674 0.0436  -0.0153 414 HOH A O   
973 O O   . HOH B .   ? 0.6673 0.6669 1.1153 0.0160  -0.2455 0.0697  415 HOH A O   
974 O O   . HOH B .   ? 0.5648 0.5432 0.5856 0.0532  0.0770  0.0045  416 HOH A O   
975 O O   . HOH B .   ? 0.4528 1.0230 0.6820 -0.0491 -0.0845 0.1646  417 HOH A O   
976 O O   . HOH B .   ? 0.5340 0.3233 0.4505 0.0123  -0.0102 0.0978  418 HOH A O   
977 O O   . HOH B .   ? 0.7047 0.5729 1.1315 -0.1373 -0.1493 -0.0377 419 HOH A O   
978 O O   . HOH B .   ? 0.7713 0.9854 1.0936 -0.0823 -0.1687 0.2769  420 HOH A O   
# 
