data_8XTU
# 
_entry.id   8XTU 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   8XTU         pdb_00008xtu 10.2210/pdb8xtu/pdb 
WWPDB D_1300044157 ?            ?                   
# 
_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       2025-01-15 
# 
_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                        8XTU 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-11 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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              ashish_arora@cdri.res.in 
_pdbx_contact_author.name_first         Ashish 
_pdbx_contact_author.name_last          Arora 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0630-2224 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Zohib, M.'    1 ? 
'Pal, R.K.'    2 ? 
'Biswal, B.K.' 3 ? 
'Arora, A.'    4 ? 
# 
_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                     'Crystal Structure of Rab5b GTPase domain from Leishmania donovani in complex with GDP' 
_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 'Zohib, M.'    1 ? 
primary 'Pal, R.K.'    2 ? 
primary 'Biswal, B.K.' 3 ? 
primary 'Arora, A.'    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 Rab5                       18477.748 1  ? 'C62S, Q80L, C151S' ? ? 
2 non-polymer syn 'MAGNESIUM ION'            24.305    1  ? ?                   ? ? 
3 non-polymer syn "GUANOSINE-5'-DIPHOSPHATE" 443.201   1  ? ?                   ? ? 
4 water       nat water                      18.015    33 ? ?                   ? ? 
# 
_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       
;TRKFKLVLLGESGVGKSSVVQRLMKDAFSEKLNSTVGASFFRYTSNVDDDTAVHFDIWDTAGLERFKSLASMYYRGAAAA
LVVFDIVSADTFEKARYWIRELQANSPETVVMLVGNKKDLESERQVSLADAQQSAGEMGAMYHETSARSGDGVRDAFHAV
AAKLIEAN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;TRKFKLVLLGESGVGKSSVVQRLMKDAFSEKLNSTVGASFFRYTSNVDDDTAVHFDIWDTAGLERFKSLASMYYRGAAAA
LVVFDIVSADTFEKARYWIRELQANSPETVVMLVGNKKDLESERQVSLADAQQSAGEMGAMYHETSARSGDGVRDAFHAV
AAKLIEAN
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'MAGNESIUM ION'            MG  
3 "GUANOSINE-5'-DIPHOSPHATE" GDP 
4 water                      HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   THR n 
1 2   ARG n 
1 3   LYS n 
1 4   PHE n 
1 5   LYS n 
1 6   LEU n 
1 7   VAL n 
1 8   LEU n 
1 9   LEU n 
1 10  GLY n 
1 11  GLU n 
1 12  SER n 
1 13  GLY n 
1 14  VAL n 
1 15  GLY n 
1 16  LYS n 
1 17  SER n 
1 18  SER n 
1 19  VAL n 
1 20  VAL n 
1 21  GLN n 
1 22  ARG n 
1 23  LEU n 
1 24  MET n 
1 25  LYS n 
1 26  ASP n 
1 27  ALA n 
1 28  PHE n 
1 29  SER n 
1 30  GLU n 
1 31  LYS n 
1 32  LEU n 
1 33  ASN n 
1 34  SER n 
1 35  THR n 
1 36  VAL n 
1 37  GLY n 
1 38  ALA n 
1 39  SER n 
1 40  PHE n 
1 41  PHE n 
1 42  ARG n 
1 43  TYR n 
1 44  THR n 
1 45  SER n 
1 46  ASN n 
1 47  VAL n 
1 48  ASP n 
1 49  ASP n 
1 50  ASP n 
1 51  THR n 
1 52  ALA n 
1 53  VAL n 
1 54  HIS n 
1 55  PHE n 
1 56  ASP n 
1 57  ILE n 
1 58  TRP n 
1 59  ASP n 
1 60  THR n 
1 61  ALA n 
1 62  GLY n 
1 63  LEU n 
1 64  GLU n 
1 65  ARG n 
1 66  PHE n 
1 67  LYS n 
1 68  SER n 
1 69  LEU n 
1 70  ALA n 
1 71  SER n 
1 72  MET n 
1 73  TYR n 
1 74  TYR n 
1 75  ARG n 
1 76  GLY n 
1 77  ALA n 
1 78  ALA n 
1 79  ALA n 
1 80  ALA n 
1 81  LEU n 
1 82  VAL n 
1 83  VAL n 
1 84  PHE n 
1 85  ASP n 
1 86  ILE n 
1 87  VAL n 
1 88  SER n 
1 89  ALA n 
1 90  ASP n 
1 91  THR n 
1 92  PHE n 
1 93  GLU n 
1 94  LYS n 
1 95  ALA n 
1 96  ARG n 
1 97  TYR n 
1 98  TRP n 
1 99  ILE n 
1 100 ARG n 
1 101 GLU n 
1 102 LEU n 
1 103 GLN n 
1 104 ALA n 
1 105 ASN n 
1 106 SER n 
1 107 PRO n 
1 108 GLU n 
1 109 THR n 
1 110 VAL n 
1 111 VAL n 
1 112 MET n 
1 113 LEU n 
1 114 VAL n 
1 115 GLY n 
1 116 ASN n 
1 117 LYS n 
1 118 LYS n 
1 119 ASP n 
1 120 LEU n 
1 121 GLU n 
1 122 SER n 
1 123 GLU n 
1 124 ARG n 
1 125 GLN n 
1 126 VAL n 
1 127 SER n 
1 128 LEU n 
1 129 ALA n 
1 130 ASP n 
1 131 ALA n 
1 132 GLN n 
1 133 GLN n 
1 134 SER n 
1 135 ALA n 
1 136 GLY n 
1 137 GLU n 
1 138 MET n 
1 139 GLY n 
1 140 ALA n 
1 141 MET n 
1 142 TYR n 
1 143 HIS n 
1 144 GLU n 
1 145 THR n 
1 146 SER n 
1 147 ALA n 
1 148 ARG n 
1 149 SER n 
1 150 GLY n 
1 151 ASP n 
1 152 GLY n 
1 153 VAL n 
1 154 ARG n 
1 155 ASP n 
1 156 ALA n 
1 157 PHE n 
1 158 HIS n 
1 159 ALA n 
1 160 VAL n 
1 161 ALA n 
1 162 ALA n 
1 163 LYS n 
1 164 LEU n 
1 165 ILE n 
1 166 GLU n 
1 167 ALA n 
1 168 ASN 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                   168 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Leishmania donovani' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5661 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
GDP 'RNA linking'       n "GUANOSINE-5'-DIPHOSPHATE" ? 'C10 H15 N5 O11 P2' 443.201 
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 
MG  non-polymer         . 'MAGNESIUM ION'            ? 'Mg 2'              24.305  
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   THR 1   18  18  THR THR A . n 
A 1 2   ARG 2   19  19  ARG ARG A . n 
A 1 3   LYS 3   20  20  LYS LYS A . n 
A 1 4   PHE 4   21  21  PHE PHE A . n 
A 1 5   LYS 5   22  22  LYS LYS A . n 
A 1 6   LEU 6   23  23  LEU LEU A . n 
A 1 7   VAL 7   24  24  VAL VAL A . n 
A 1 8   LEU 8   25  25  LEU LEU A . n 
A 1 9   LEU 9   26  26  LEU LEU A . n 
A 1 10  GLY 10  27  27  GLY GLY A . n 
A 1 11  GLU 11  28  28  GLU GLU A . n 
A 1 12  SER 12  29  29  SER SER A . n 
A 1 13  GLY 13  30  30  GLY GLY A . n 
A 1 14  VAL 14  31  31  VAL VAL A . n 
A 1 15  GLY 15  32  32  GLY GLY A . n 
A 1 16  LYS 16  33  33  LYS LYS A . n 
A 1 17  SER 17  34  34  SER SER A . n 
A 1 18  SER 18  35  35  SER SER A . n 
A 1 19  VAL 19  36  36  VAL VAL A . n 
A 1 20  VAL 20  37  37  VAL VAL A . n 
A 1 21  GLN 21  38  38  GLN GLN A . n 
A 1 22  ARG 22  39  39  ARG ARG A . n 
A 1 23  LEU 23  40  40  LEU LEU A . n 
A 1 24  MET 24  41  41  MET MET A . n 
A 1 25  LYS 25  42  42  LYS LYS A . n 
A 1 26  ASP 26  43  43  ASP ASP A . n 
A 1 27  ALA 27  44  44  ALA ALA A . n 
A 1 28  PHE 28  45  45  PHE PHE A . n 
A 1 29  SER 29  46  46  SER SER A . n 
A 1 30  GLU 30  47  47  GLU GLU A . n 
A 1 31  LYS 31  48  ?   ?   ?   A . n 
A 1 32  LEU 32  49  ?   ?   ?   A . n 
A 1 33  ASN 33  50  ?   ?   ?   A . n 
A 1 34  SER 34  51  ?   ?   ?   A . n 
A 1 35  THR 35  52  ?   ?   ?   A . n 
A 1 36  VAL 36  53  ?   ?   ?   A . n 
A 1 37  GLY 37  54  ?   ?   ?   A . n 
A 1 38  ALA 38  55  55  ALA ALA A . n 
A 1 39  SER 39  56  56  SER SER A . n 
A 1 40  PHE 40  57  57  PHE PHE A . n 
A 1 41  PHE 41  58  58  PHE PHE A . n 
A 1 42  ARG 42  59  59  ARG ARG A . n 
A 1 43  TYR 43  60  60  TYR TYR A . n 
A 1 44  THR 44  61  61  THR THR A . n 
A 1 45  SER 45  62  62  SER SER A . n 
A 1 46  ASN 46  63  63  ASN ASN A . n 
A 1 47  VAL 47  64  64  VAL VAL A . n 
A 1 48  ASP 48  65  65  ASP ASP A . n 
A 1 49  ASP 49  66  66  ASP ASP A . n 
A 1 50  ASP 50  67  67  ASP ASP A . n 
A 1 51  THR 51  68  68  THR THR A . n 
A 1 52  ALA 52  69  69  ALA ALA A . n 
A 1 53  VAL 53  70  70  VAL VAL A . n 
A 1 54  HIS 54  71  71  HIS HIS A . n 
A 1 55  PHE 55  72  72  PHE PHE A . n 
A 1 56  ASP 56  73  73  ASP ASP A . n 
A 1 57  ILE 57  74  74  ILE ILE A . n 
A 1 58  TRP 58  75  75  TRP TRP A . n 
A 1 59  ASP 59  76  76  ASP ASP A . n 
A 1 60  THR 60  77  77  THR THR A . n 
A 1 61  ALA 61  78  78  ALA ALA A . n 
A 1 62  GLY 62  79  79  GLY GLY A . n 
A 1 63  LEU 63  80  80  LEU LEU A . n 
A 1 64  GLU 64  81  81  GLU GLU A . n 
A 1 65  ARG 65  82  ?   ?   ?   A . n 
A 1 66  PHE 66  83  ?   ?   ?   A . n 
A 1 67  LYS 67  84  ?   ?   ?   A . n 
A 1 68  SER 68  85  85  SER SER A . n 
A 1 69  LEU 69  86  86  LEU LEU A . n 
A 1 70  ALA 70  87  87  ALA ALA A . n 
A 1 71  SER 71  88  88  SER SER A . n 
A 1 72  MET 72  89  89  MET MET A . n 
A 1 73  TYR 73  90  90  TYR TYR A . n 
A 1 74  TYR 74  91  91  TYR TYR A . n 
A 1 75  ARG 75  92  92  ARG ARG A . n 
A 1 76  GLY 76  93  93  GLY GLY A . n 
A 1 77  ALA 77  94  94  ALA ALA A . n 
A 1 78  ALA 78  95  95  ALA ALA A . n 
A 1 79  ALA 79  96  96  ALA ALA A . n 
A 1 80  ALA 80  97  97  ALA ALA A . n 
A 1 81  LEU 81  98  98  LEU LEU A . n 
A 1 82  VAL 82  99  99  VAL VAL A . n 
A 1 83  VAL 83  100 100 VAL VAL A . n 
A 1 84  PHE 84  101 101 PHE PHE A . n 
A 1 85  ASP 85  102 102 ASP ASP A . n 
A 1 86  ILE 86  103 103 ILE ILE A . n 
A 1 87  VAL 87  104 104 VAL VAL A . n 
A 1 88  SER 88  105 105 SER SER A . n 
A 1 89  ALA 89  106 106 ALA ALA A . n 
A 1 90  ASP 90  107 107 ASP ASP A . n 
A 1 91  THR 91  108 108 THR THR A . n 
A 1 92  PHE 92  109 109 PHE PHE A . n 
A 1 93  GLU 93  110 110 GLU GLU A . n 
A 1 94  LYS 94  111 111 LYS LYS A . n 
A 1 95  ALA 95  112 112 ALA ALA A . n 
A 1 96  ARG 96  113 113 ARG ARG A . n 
A 1 97  TYR 97  114 114 TYR TYR A . n 
A 1 98  TRP 98  115 115 TRP TRP A . n 
A 1 99  ILE 99  116 116 ILE ILE A . n 
A 1 100 ARG 100 117 117 ARG ARG A . n 
A 1 101 GLU 101 118 118 GLU GLU A . n 
A 1 102 LEU 102 119 119 LEU LEU A . n 
A 1 103 GLN 103 120 120 GLN GLN A . n 
A 1 104 ALA 104 121 121 ALA ALA A . n 
A 1 105 ASN 105 122 122 ASN ASN A . n 
A 1 106 SER 106 123 123 SER SER A . n 
A 1 107 PRO 107 124 124 PRO PRO A . n 
A 1 108 GLU 108 125 125 GLU GLU A . n 
A 1 109 THR 109 126 126 THR THR A . n 
A 1 110 VAL 110 127 127 VAL VAL A . n 
A 1 111 VAL 111 128 128 VAL VAL A . n 
A 1 112 MET 112 129 129 MET MET A . n 
A 1 113 LEU 113 130 130 LEU LEU A . n 
A 1 114 VAL 114 131 131 VAL VAL A . n 
A 1 115 GLY 115 132 132 GLY GLY A . n 
A 1 116 ASN 116 133 133 ASN ASN A . n 
A 1 117 LYS 117 134 134 LYS LYS A . n 
A 1 118 LYS 118 135 135 LYS LYS A . n 
A 1 119 ASP 119 136 136 ASP ASP A . n 
A 1 120 LEU 120 137 137 LEU LEU A . n 
A 1 121 GLU 121 138 138 GLU GLU A . n 
A 1 122 SER 122 139 139 SER SER A . n 
A 1 123 GLU 123 140 140 GLU GLU A . n 
A 1 124 ARG 124 141 141 ARG ARG A . n 
A 1 125 GLN 125 142 142 GLN GLN A . n 
A 1 126 VAL 126 143 143 VAL VAL A . n 
A 1 127 SER 127 144 144 SER SER A . n 
A 1 128 LEU 128 145 145 LEU LEU A . n 
A 1 129 ALA 129 146 146 ALA ALA A . n 
A 1 130 ASP 130 147 147 ASP ASP A . n 
A 1 131 ALA 131 148 148 ALA ALA A . n 
A 1 132 GLN 132 149 149 GLN GLN A . n 
A 1 133 GLN 133 150 150 GLN GLN A . n 
A 1 134 SER 134 151 151 SER SER A . n 
A 1 135 ALA 135 152 152 ALA ALA A . n 
A 1 136 GLY 136 153 153 GLY GLY A . n 
A 1 137 GLU 137 154 154 GLU GLU A . n 
A 1 138 MET 138 155 155 MET MET A . n 
A 1 139 GLY 139 156 156 GLY GLY A . n 
A 1 140 ALA 140 157 157 ALA ALA A . n 
A 1 141 MET 141 158 158 MET MET A . n 
A 1 142 TYR 142 159 159 TYR TYR A . n 
A 1 143 HIS 143 160 160 HIS HIS A . n 
A 1 144 GLU 144 161 161 GLU GLU A . n 
A 1 145 THR 145 162 162 THR THR A . n 
A 1 146 SER 146 163 163 SER SER A . n 
A 1 147 ALA 147 164 164 ALA ALA A . n 
A 1 148 ARG 148 165 165 ARG ARG A . n 
A 1 149 SER 149 166 166 SER SER A . n 
A 1 150 GLY 150 167 167 GLY GLY A . n 
A 1 151 ASP 151 168 168 ASP ASP A . n 
A 1 152 GLY 152 169 169 GLY GLY A . n 
A 1 153 VAL 153 170 170 VAL VAL A . n 
A 1 154 ARG 154 171 171 ARG ARG A . n 
A 1 155 ASP 155 172 172 ASP ASP A . n 
A 1 156 ALA 156 173 173 ALA ALA A . n 
A 1 157 PHE 157 174 174 PHE PHE A . n 
A 1 158 HIS 158 175 175 HIS HIS A . n 
A 1 159 ALA 159 176 176 ALA ALA A . n 
A 1 160 VAL 160 177 177 VAL VAL A . n 
A 1 161 ALA 161 178 178 ALA ALA A . n 
A 1 162 ALA 162 179 179 ALA ALA A . n 
A 1 163 LYS 163 180 180 LYS LYS A . n 
A 1 164 LEU 164 181 181 LEU LEU A . n 
A 1 165 ILE 165 182 182 ILE ILE A . n 
A 1 166 GLU 166 183 183 GLU GLU A . n 
A 1 167 ALA 167 184 ?   ?   ?   A . n 
A 1 168 ASN 168 185 ?   ?   ?   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 MG  1  201 1   MG  MG  A . 
C 3 GDP 1  202 201 GDP GDP A . 
D 4 HOH 1  301 30  HOH HOH A . 
D 4 HOH 2  302 23  HOH HOH A . 
D 4 HOH 3  303 32  HOH HOH A . 
D 4 HOH 4  304 5   HOH HOH A . 
D 4 HOH 5  305 1   HOH HOH A . 
D 4 HOH 6  306 26  HOH HOH A . 
D 4 HOH 7  307 24  HOH HOH A . 
D 4 HOH 8  308 19  HOH HOH A . 
D 4 HOH 9  309 20  HOH HOH A . 
D 4 HOH 10 310 4   HOH HOH A . 
D 4 HOH 11 311 2   HOH HOH A . 
D 4 HOH 12 312 6   HOH HOH A . 
D 4 HOH 13 313 9   HOH HOH A . 
D 4 HOH 14 314 16  HOH HOH A . 
D 4 HOH 15 315 22  HOH HOH A . 
D 4 HOH 16 316 12  HOH HOH A . 
D 4 HOH 17 317 25  HOH HOH A . 
D 4 HOH 18 318 33  HOH HOH A . 
D 4 HOH 19 319 3   HOH HOH A . 
D 4 HOH 20 320 31  HOH HOH A . 
D 4 HOH 21 321 13  HOH HOH A . 
D 4 HOH 22 322 17  HOH HOH A . 
D 4 HOH 23 323 28  HOH HOH A . 
D 4 HOH 24 324 14  HOH HOH A . 
D 4 HOH 25 325 18  HOH HOH A . 
D 4 HOH 26 326 8   HOH HOH A . 
D 4 HOH 27 327 11  HOH HOH A . 
D 4 HOH 28 328 27  HOH HOH A . 
D 4 HOH 29 329 10  HOH HOH A . 
D 4 HOH 30 330 21  HOH HOH A . 
D 4 HOH 31 331 15  HOH HOH A . 
D 4 HOH 32 332 7   HOH HOH A . 
D 4 HOH 33 333 29  HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 20  ? CG  ? A LYS 3   CG  
2  1 Y 1 A LYS 20  ? CD  ? A LYS 3   CD  
3  1 Y 1 A LYS 20  ? CE  ? A LYS 3   CE  
4  1 Y 1 A LYS 20  ? NZ  ? A LYS 3   NZ  
5  1 Y 1 A GLN 38  ? NE2 ? A GLN 21  NE2 
6  1 Y 1 A LYS 42  ? CG  ? A LYS 25  CG  
7  1 Y 1 A LYS 42  ? CD  ? A LYS 25  CD  
8  1 Y 1 A LYS 42  ? CE  ? A LYS 25  CE  
9  1 Y 1 A LYS 42  ? NZ  ? A LYS 25  NZ  
10 1 Y 1 A ASP 43  ? CG  ? A ASP 26  CG  
11 1 Y 1 A ASP 43  ? OD1 ? A ASP 26  OD1 
12 1 Y 1 A ASP 43  ? OD2 ? A ASP 26  OD2 
13 1 Y 1 A PHE 45  ? CE2 ? A PHE 28  CE2 
14 1 Y 1 A PHE 45  ? CZ  ? A PHE 28  CZ  
15 1 Y 1 A SER 46  ? OG  ? A SER 29  OG  
16 1 Y 1 A GLU 47  ? CG  ? A GLU 30  CG  
17 1 Y 1 A GLU 47  ? CD  ? A GLU 30  CD  
18 1 Y 1 A GLU 47  ? OE1 ? A GLU 30  OE1 
19 1 Y 1 A GLU 47  ? OE2 ? A GLU 30  OE2 
20 1 Y 1 A ASP 65  ? OD1 ? A ASP 48  OD1 
21 1 Y 1 A ASP 65  ? OD2 ? A ASP 48  OD2 
22 1 Y 1 A ASP 66  ? CG  ? A ASP 49  CG  
23 1 Y 1 A ASP 66  ? OD1 ? A ASP 49  OD1 
24 1 Y 1 A ASP 66  ? OD2 ? A ASP 49  OD2 
25 1 Y 1 A THR 77  ? CG2 ? A THR 60  CG2 
26 1 Y 1 A LEU 80  ? CD1 ? A LEU 63  CD1 
27 1 Y 1 A GLU 81  ? CD  ? A GLU 64  CD  
28 1 Y 1 A GLU 81  ? OE1 ? A GLU 64  OE1 
29 1 Y 1 A GLU 81  ? OE2 ? A GLU 64  OE2 
30 1 Y 1 A LEU 86  ? CG  ? A LEU 69  CG  
31 1 Y 1 A LEU 86  ? CD1 ? A LEU 69  CD1 
32 1 Y 1 A LEU 86  ? CD2 ? A LEU 69  CD2 
33 1 Y 1 A ASP 107 ? OD1 ? A ASP 90  OD1 
34 1 Y 1 A GLU 110 ? CD  ? A GLU 93  CD  
35 1 Y 1 A GLU 110 ? OE1 ? A GLU 93  OE1 
36 1 Y 1 A GLU 110 ? OE2 ? A GLU 93  OE2 
37 1 Y 1 A LYS 111 ? CD  ? A LYS 94  CD  
38 1 Y 1 A LYS 111 ? CE  ? A LYS 94  CE  
39 1 Y 1 A LYS 111 ? NZ  ? A LYS 94  NZ  
40 1 Y 1 A ARG 113 ? NH2 ? A ARG 96  NH2 
41 1 Y 1 A ARG 117 ? CG  ? A ARG 100 CG  
42 1 Y 1 A ARG 117 ? CD  ? A ARG 100 CD  
43 1 Y 1 A ARG 117 ? NE  ? A ARG 100 NE  
44 1 Y 1 A ARG 117 ? CZ  ? A ARG 100 CZ  
45 1 Y 1 A ARG 117 ? NH1 ? A ARG 100 NH1 
46 1 Y 1 A ARG 117 ? NH2 ? A ARG 100 NH2 
47 1 Y 1 A GLU 125 ? CG  ? A GLU 108 CG  
48 1 Y 1 A GLU 125 ? CD  ? A GLU 108 CD  
49 1 Y 1 A GLU 125 ? OE1 ? A GLU 108 OE1 
50 1 Y 1 A GLU 125 ? OE2 ? A GLU 108 OE2 
51 1 Y 1 A LYS 135 ? NZ  ? A LYS 118 NZ  
52 1 Y 1 A GLU 138 ? CG  ? A GLU 121 CG  
53 1 Y 1 A GLU 138 ? CD  ? A GLU 121 CD  
54 1 Y 1 A GLU 138 ? OE1 ? A GLU 121 OE1 
55 1 Y 1 A GLU 138 ? OE2 ? A GLU 121 OE2 
56 1 Y 1 A GLU 140 ? OE1 ? A GLU 123 OE1 
57 1 Y 1 A GLU 154 ? OE2 ? A GLU 137 OE2 
58 1 Y 1 A ARG 165 ? NH1 ? A ARG 148 NH1 
59 1 Y 1 A ARG 165 ? NH2 ? A ARG 148 NH2 
60 1 Y 1 A ARG 171 ? CG  ? A ARG 154 CG  
61 1 Y 1 A ARG 171 ? CD  ? A ARG 154 CD  
62 1 Y 1 A ARG 171 ? NE  ? A ARG 154 NE  
63 1 Y 1 A ARG 171 ? CZ  ? A ARG 154 CZ  
64 1 Y 1 A ARG 171 ? NH1 ? A ARG 154 NH1 
65 1 Y 1 A ARG 171 ? NH2 ? A ARG 154 NH2 
66 1 Y 1 A ASP 172 ? OD2 ? A ASP 155 OD2 
67 1 Y 1 A LYS 180 ? CG  ? A LYS 163 CG  
68 1 Y 1 A LYS 180 ? CD  ? A LYS 163 CD  
69 1 Y 1 A LYS 180 ? CE  ? A LYS 163 CE  
70 1 Y 1 A LYS 180 ? NZ  ? A LYS 163 NZ  
71 1 Y 1 A ILE 182 ? CG2 ? A ILE 165 CG2 
72 1 Y 1 A ILE 182 ? CD1 ? A ILE 165 CD1 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8XTU 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     39.066 
_cell.length_a_esd                 ? 
_cell.length_b                     61.861 
_cell.length_b_esd                 ? 
_cell.length_c                     73.635 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         8XTU 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                18 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 2 21 21' 
_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                   8XTU 
_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             2.41 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.91 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;Sodium Acetate,
MES Hydrate pH 6.7,
PEG 3350
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            295 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 X CdTe 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-09-06 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.885 
_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                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.885 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8XTU 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.5 
_reflns.d_resolution_low                               47.4 
_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                                     6617 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   .996 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.5 
_reflns_shell.d_res_low                                     2.6 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             739 
_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                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  .964 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_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]                            10.80 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -5.89 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -4.92 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               49.442 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.948 
_refine.correlation_coeff_Fo_to_Fc_free          0.925 
_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                                 8XTU 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.50 
_refine.ls_d_res_low                             47.36 
_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                     5947 
_refine.ls_number_reflns_R_free                  620 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.88 
_refine.ls_percent_reflns_R_free                 9.4 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.22038 
_refine.ls_R_factor_R_free                       0.26324 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.21575 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  0.305 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             41.131 
_refine.overall_SU_ML                            0.356 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.50 
_refine_hist.d_res_low                        47.36 
_refine_hist.number_atoms_solvent             33 
_refine_hist.number_atoms_total               1195 
_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        1133 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         29 
_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' ? 0.006  0.012  1182 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.016  1052 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.409  1.641  1598 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.871  1.574  2394 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.605  5.000  153  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.857 5.000  5    ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 18.155 10.000 154  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  186  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  1379 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  275  ? 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' ? 5.090  4.042  621  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 5.088  4.041  621  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 8.154  7.244  771  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 8.151  7.243  772  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 4.758  4.253  561  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 4.756  4.254  561  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 7.600  7.784  828  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 14.405 63.94  4818 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 14.376 63.94  4818 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? 1.933  3.000  2234 ? 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                       2.500 
_refine_ls_shell.d_res_low                        2.565 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             51 
_refine_ls_shell.number_reflns_R_work             412 
_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                  0.363 
_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                  0.453 
# 
_struct.entry_id                     8XTU 
_struct.title                        'Crystal Structure of Rab5b GTPase domain from Leishmania donovani in complex with GDP' 
_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        8XTU 
_struct_keywords.text            'GTPase, Early Endocytosis, Nucleotide Exchange, ENDOCYTOSIS' 
_struct_keywords.pdbx_keywords   ENDOCYTOSIS 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q6VN21_LEIDO 
_struct_ref.pdbx_db_accession          Q6VN21 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;TRKFKLVLLGESGVGKSSVVQRLMKDAFSEKLNSTVGASFFRYTCNVDDDTAVHFDIWDTAGQERFKSLASMYYRGAAAA
LVVFDIVSADTFEKARYWIRELQANSSETVVMLVGNKKDLESERQVSLADAQQCAGEMGAMYHETSARSGDGVRDAFHAV
AAKLIEAN
;
_struct_ref.pdbx_align_begin           18 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8XTU 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 168 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q6VN21 
_struct_ref_seq.db_align_beg                  18 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  185 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       18 
_struct_ref_seq.pdbx_auth_seq_align_end       185 
# 
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 8XTU SER A 45  ? UNP Q6VN21 CYS 62  'engineered mutation' 62  1 
1 8XTU LEU A 63  ? UNP Q6VN21 GLN 80  'engineered mutation' 80  2 
1 8XTU PRO A 107 ? UNP Q6VN21 SER 124 'engineered mutation' 124 3 
1 8XTU SER A 134 ? UNP Q6VN21 CYS 151 'engineered mutation' 151 4 
# 
_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 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                'Size Exclusion Chromatography purification was done' 
# 
_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 GLY A 15  ? SER A 29  ? GLY A 32  SER A 46  1 ? 15 
HELX_P HELX_P2 AA2 LEU A 69  ? ARG A 75  ? LEU A 86  ARG A 92  1 ? 7  
HELX_P HELX_P3 AA3 SER A 88  ? SER A 106 ? SER A 105 SER A 123 1 ? 19 
HELX_P HELX_P4 AA4 SER A 127 ? MET A 138 ? SER A 144 MET A 155 1 ? 12 
HELX_P HELX_P5 AA5 GLY A 152 ? GLU A 166 ? GLY A 169 GLU A 183 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A SER 17 OG ? ? ? 1_555 B MG  . MG  ? ? A SER 34  A MG  201 1_555 ? ? ? ? ? ? ? 1.988 ? ? 
metalc2 metalc ? ? B MG  .  MG ? ? ? 1_555 C GDP . O1B ? ? A MG  201 A GDP 202 1_555 ? ? ? ? ? ? ? 2.005 ? ? 
metalc3 metalc ? ? B MG  .  MG ? ? ? 1_555 D HOH . O   ? ? A MG  201 A HOH 304 1_555 ? ? ? ? ? ? ? 2.080 ? ? 
metalc4 metalc ? ? B MG  .  MG ? ? ? 1_555 D HOH . O   ? ? A MG  201 A HOH 324 1_555 ? ? ? ? ? ? ? 1.831 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 OG  ? A SER 17 ? A SER 34  ? 1_555 MG ? B MG . ? A MG 201 ? 1_555 O1B ? C GDP . ? A GDP 202 ? 1_555 75.0  ? 
2 OG  ? A SER 17 ? A SER 34  ? 1_555 MG ? B MG . ? A MG 201 ? 1_555 O   ? D HOH . ? A HOH 304 ? 1_555 82.4  ? 
3 O1B ? C GDP .  ? A GDP 202 ? 1_555 MG ? B MG . ? A MG 201 ? 1_555 O   ? D HOH . ? A HOH 304 ? 1_555 94.5  ? 
4 OG  ? A SER 17 ? A SER 34  ? 1_555 MG ? B MG . ? A MG 201 ? 1_555 O   ? D HOH . ? A HOH 324 ? 1_555 150.3 ? 
5 O1B ? C GDP .  ? A GDP 202 ? 1_555 MG ? B MG . ? A MG 201 ? 1_555 O   ? D HOH . ? A HOH 324 ? 1_555 134.5 ? 
6 O   ? D HOH .  ? A HOH 304 ? 1_555 MG ? B MG . ? A MG 201 ? 1_555 O   ? D HOH . ? A HOH 324 ? 1_555 96.0  ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? parallel      
AA1 4 5 ? parallel      
AA1 5 6 ? parallel      
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 SER A 39  ? ASN A 46  ? SER A 56  ASN A 63  
AA1 2 ALA A 52  ? ASP A 59  ? ALA A 69  ASP A 76  
AA1 3 PHE A 4   ? LEU A 9   ? PHE A 21  LEU A 26  
AA1 4 ALA A 79  ? ASP A 85  ? ALA A 96  ASP A 102 
AA1 5 VAL A 110 ? ASN A 116 ? VAL A 127 ASN A 133 
AA1 6 MET A 141 ? THR A 145 ? MET A 158 THR A 162 
# 
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 TYR A 43  ? N TYR A 60  O PHE A 55  ? O PHE A 72  
AA1 2 3 O HIS A 54  ? O HIS A 71  N PHE A 4   ? N PHE A 21  
AA1 3 4 N VAL A 7   ? N VAL A 24  O LEU A 81  ? O LEU A 98  
AA1 4 5 N VAL A 82  ? N VAL A 99  O VAL A 114 ? O VAL A 131 
AA1 5 6 N LEU A 113 ? N LEU A 130 O MET A 141 ? O MET A 158 
# 
_pdbx_entry_details.entry_id                   8XTU 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     307 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     307 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_545 
_pdbx_validate_symm_contact.dist              2.17 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 65 ? ? -121.21 -161.48 
2 1 LEU A 80 ? ? -153.16 53.00   
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 19 ? ? 0.083 'SIDE CHAIN' 
2 1 ARG A 59 ? ? 0.102 'SIDE CHAIN' 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     316 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -18.2813 
_pdbx_refine_tls.origin_y         -16.4254 
_pdbx_refine_tls.origin_z         7.7169 
_pdbx_refine_tls.T[1][1]          0.0490 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          -0.0254 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          -0.0210 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.0413 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          0.0157 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.0101 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          0.6907 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          -1.4788 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -0.5971 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          5.8412 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          1.5158 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          4.9630 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          0.0189 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.1237 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.0146 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          -0.3614 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          -0.0494 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          0.1250 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          -0.1777 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          0.0044 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.0305 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     18 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    A 
_pdbx_refine_tls_group.end_auth_seq_id     183 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   ? 
# 
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 LYS 48  ? A LYS 31  
2  1 Y 1 A LEU 49  ? A LEU 32  
3  1 Y 1 A ASN 50  ? A ASN 33  
4  1 Y 1 A SER 51  ? A SER 34  
5  1 Y 1 A THR 52  ? A THR 35  
6  1 Y 1 A VAL 53  ? A VAL 36  
7  1 Y 1 A GLY 54  ? A GLY 37  
8  1 Y 1 A ARG 82  ? A ARG 65  
9  1 Y 1 A PHE 83  ? A PHE 66  
10 1 Y 1 A LYS 84  ? A LYS 67  
11 1 Y 1 A ALA 184 ? A ALA 167 
12 1 Y 1 A ASN 185 ? A ASN 168 
# 
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  
GDP PB     P  N N 88  
GDP O1B    O  N N 89  
GDP O2B    O  N N 90  
GDP O3B    O  N N 91  
GDP O3A    O  N N 92  
GDP PA     P  N N 93  
GDP O1A    O  N N 94  
GDP O2A    O  N N 95  
GDP "O5'"  O  N N 96  
GDP "C5'"  C  N N 97  
GDP "C4'"  C  N R 98  
GDP "O4'"  O  N N 99  
GDP "C3'"  C  N S 100 
GDP "O3'"  O  N N 101 
GDP "C2'"  C  N R 102 
GDP "O2'"  O  N N 103 
GDP "C1'"  C  N R 104 
GDP N9     N  Y N 105 
GDP C8     C  Y N 106 
GDP N7     N  Y N 107 
GDP C5     C  Y N 108 
GDP C6     C  N N 109 
GDP O6     O  N N 110 
GDP N1     N  N N 111 
GDP C2     C  N N 112 
GDP N2     N  N N 113 
GDP N3     N  N N 114 
GDP C4     C  Y N 115 
GDP HOB2   H  N N 116 
GDP HOB3   H  N N 117 
GDP HOA2   H  N N 118 
GDP "H5'"  H  N N 119 
GDP "H5''" H  N N 120 
GDP "H4'"  H  N N 121 
GDP "H3'"  H  N N 122 
GDP "HO3'" H  N N 123 
GDP "H2'"  H  N N 124 
GDP "HO2'" H  N N 125 
GDP "H1'"  H  N N 126 
GDP H8     H  N N 127 
GDP HN1    H  N N 128 
GDP HN21   H  N N 129 
GDP HN22   H  N N 130 
GLN N      N  N N 131 
GLN CA     C  N S 132 
GLN C      C  N N 133 
GLN O      O  N N 134 
GLN CB     C  N N 135 
GLN CG     C  N N 136 
GLN CD     C  N N 137 
GLN OE1    O  N N 138 
GLN NE2    N  N N 139 
GLN OXT    O  N N 140 
GLN H      H  N N 141 
GLN H2     H  N N 142 
GLN HA     H  N N 143 
GLN HB2    H  N N 144 
GLN HB3    H  N N 145 
GLN HG2    H  N N 146 
GLN HG3    H  N N 147 
GLN HE21   H  N N 148 
GLN HE22   H  N N 149 
GLN HXT    H  N N 150 
GLU N      N  N N 151 
GLU CA     C  N S 152 
GLU C      C  N N 153 
GLU O      O  N N 154 
GLU CB     C  N N 155 
GLU CG     C  N N 156 
GLU CD     C  N N 157 
GLU OE1    O  N N 158 
GLU OE2    O  N N 159 
GLU OXT    O  N N 160 
GLU H      H  N N 161 
GLU H2     H  N N 162 
GLU HA     H  N N 163 
GLU HB2    H  N N 164 
GLU HB3    H  N N 165 
GLU HG2    H  N N 166 
GLU HG3    H  N N 167 
GLU HE2    H  N N 168 
GLU HXT    H  N N 169 
GLY N      N  N N 170 
GLY CA     C  N N 171 
GLY C      C  N N 172 
GLY O      O  N N 173 
GLY OXT    O  N N 174 
GLY H      H  N N 175 
GLY H2     H  N N 176 
GLY HA2    H  N N 177 
GLY HA3    H  N N 178 
GLY HXT    H  N N 179 
HIS N      N  N N 180 
HIS CA     C  N S 181 
HIS C      C  N N 182 
HIS O      O  N N 183 
HIS CB     C  N N 184 
HIS CG     C  Y N 185 
HIS ND1    N  Y N 186 
HIS CD2    C  Y N 187 
HIS CE1    C  Y N 188 
HIS NE2    N  Y N 189 
HIS OXT    O  N N 190 
HIS H      H  N N 191 
HIS H2     H  N N 192 
HIS HA     H  N N 193 
HIS HB2    H  N N 194 
HIS HB3    H  N N 195 
HIS HD1    H  N N 196 
HIS HD2    H  N N 197 
HIS HE1    H  N N 198 
HIS HE2    H  N N 199 
HIS HXT    H  N N 200 
HOH O      O  N N 201 
HOH H1     H  N N 202 
HOH H2     H  N N 203 
ILE N      N  N N 204 
ILE CA     C  N S 205 
ILE C      C  N N 206 
ILE O      O  N N 207 
ILE CB     C  N S 208 
ILE CG1    C  N N 209 
ILE CG2    C  N N 210 
ILE CD1    C  N N 211 
ILE OXT    O  N N 212 
ILE H      H  N N 213 
ILE H2     H  N N 214 
ILE HA     H  N N 215 
ILE HB     H  N N 216 
ILE HG12   H  N N 217 
ILE HG13   H  N N 218 
ILE HG21   H  N N 219 
ILE HG22   H  N N 220 
ILE HG23   H  N N 221 
ILE HD11   H  N N 222 
ILE HD12   H  N N 223 
ILE HD13   H  N N 224 
ILE HXT    H  N N 225 
LEU N      N  N N 226 
LEU CA     C  N S 227 
LEU C      C  N N 228 
LEU O      O  N N 229 
LEU CB     C  N N 230 
LEU CG     C  N N 231 
LEU CD1    C  N N 232 
LEU CD2    C  N N 233 
LEU OXT    O  N N 234 
LEU H      H  N N 235 
LEU H2     H  N N 236 
LEU HA     H  N N 237 
LEU HB2    H  N N 238 
LEU HB3    H  N N 239 
LEU HG     H  N N 240 
LEU HD11   H  N N 241 
LEU HD12   H  N N 242 
LEU HD13   H  N N 243 
LEU HD21   H  N N 244 
LEU HD22   H  N N 245 
LEU HD23   H  N N 246 
LEU HXT    H  N N 247 
LYS N      N  N N 248 
LYS CA     C  N S 249 
LYS C      C  N N 250 
LYS O      O  N N 251 
LYS CB     C  N N 252 
LYS CG     C  N N 253 
LYS CD     C  N N 254 
LYS CE     C  N N 255 
LYS NZ     N  N N 256 
LYS OXT    O  N N 257 
LYS H      H  N N 258 
LYS H2     H  N N 259 
LYS HA     H  N N 260 
LYS HB2    H  N N 261 
LYS HB3    H  N N 262 
LYS HG2    H  N N 263 
LYS HG3    H  N N 264 
LYS HD2    H  N N 265 
LYS HD3    H  N N 266 
LYS HE2    H  N N 267 
LYS HE3    H  N N 268 
LYS HZ1    H  N N 269 
LYS HZ2    H  N N 270 
LYS HZ3    H  N N 271 
LYS HXT    H  N N 272 
MET N      N  N N 273 
MET CA     C  N S 274 
MET C      C  N N 275 
MET O      O  N N 276 
MET CB     C  N N 277 
MET CG     C  N N 278 
MET SD     S  N N 279 
MET CE     C  N N 280 
MET OXT    O  N N 281 
MET H      H  N N 282 
MET H2     H  N N 283 
MET HA     H  N N 284 
MET HB2    H  N N 285 
MET HB3    H  N N 286 
MET HG2    H  N N 287 
MET HG3    H  N N 288 
MET HE1    H  N N 289 
MET HE2    H  N N 290 
MET HE3    H  N N 291 
MET HXT    H  N N 292 
MG  MG     MG N N 293 
PHE N      N  N N 294 
PHE CA     C  N S 295 
PHE C      C  N N 296 
PHE O      O  N N 297 
PHE CB     C  N N 298 
PHE CG     C  Y N 299 
PHE CD1    C  Y N 300 
PHE CD2    C  Y N 301 
PHE CE1    C  Y N 302 
PHE CE2    C  Y N 303 
PHE CZ     C  Y N 304 
PHE OXT    O  N N 305 
PHE H      H  N N 306 
PHE H2     H  N N 307 
PHE HA     H  N N 308 
PHE HB2    H  N N 309 
PHE HB3    H  N N 310 
PHE HD1    H  N N 311 
PHE HD2    H  N N 312 
PHE HE1    H  N N 313 
PHE HE2    H  N N 314 
PHE HZ     H  N N 315 
PHE HXT    H  N N 316 
PRO N      N  N N 317 
PRO CA     C  N S 318 
PRO C      C  N N 319 
PRO O      O  N N 320 
PRO CB     C  N N 321 
PRO CG     C  N N 322 
PRO CD     C  N N 323 
PRO OXT    O  N N 324 
PRO H      H  N N 325 
PRO HA     H  N N 326 
PRO HB2    H  N N 327 
PRO HB3    H  N N 328 
PRO HG2    H  N N 329 
PRO HG3    H  N N 330 
PRO HD2    H  N N 331 
PRO HD3    H  N N 332 
PRO HXT    H  N N 333 
SER N      N  N N 334 
SER CA     C  N S 335 
SER C      C  N N 336 
SER O      O  N N 337 
SER CB     C  N N 338 
SER OG     O  N N 339 
SER OXT    O  N N 340 
SER H      H  N N 341 
SER H2     H  N N 342 
SER HA     H  N N 343 
SER HB2    H  N N 344 
SER HB3    H  N N 345 
SER HG     H  N N 346 
SER HXT    H  N N 347 
THR N      N  N N 348 
THR CA     C  N S 349 
THR C      C  N N 350 
THR O      O  N N 351 
THR CB     C  N R 352 
THR OG1    O  N N 353 
THR CG2    C  N N 354 
THR OXT    O  N N 355 
THR H      H  N N 356 
THR H2     H  N N 357 
THR HA     H  N N 358 
THR HB     H  N N 359 
THR HG1    H  N N 360 
THR HG21   H  N N 361 
THR HG22   H  N N 362 
THR HG23   H  N N 363 
THR HXT    H  N N 364 
TRP N      N  N N 365 
TRP CA     C  N S 366 
TRP C      C  N N 367 
TRP O      O  N N 368 
TRP CB     C  N N 369 
TRP CG     C  Y N 370 
TRP CD1    C  Y N 371 
TRP CD2    C  Y N 372 
TRP NE1    N  Y N 373 
TRP CE2    C  Y N 374 
TRP CE3    C  Y N 375 
TRP CZ2    C  Y N 376 
TRP CZ3    C  Y N 377 
TRP CH2    C  Y N 378 
TRP OXT    O  N N 379 
TRP H      H  N N 380 
TRP H2     H  N N 381 
TRP HA     H  N N 382 
TRP HB2    H  N N 383 
TRP HB3    H  N N 384 
TRP HD1    H  N N 385 
TRP HE1    H  N N 386 
TRP HE3    H  N N 387 
TRP HZ2    H  N N 388 
TRP HZ3    H  N N 389 
TRP HH2    H  N N 390 
TRP HXT    H  N N 391 
TYR N      N  N N 392 
TYR CA     C  N S 393 
TYR C      C  N N 394 
TYR O      O  N N 395 
TYR CB     C  N N 396 
TYR CG     C  Y N 397 
TYR CD1    C  Y N 398 
TYR CD2    C  Y N 399 
TYR CE1    C  Y N 400 
TYR CE2    C  Y N 401 
TYR CZ     C  Y N 402 
TYR OH     O  N N 403 
TYR OXT    O  N N 404 
TYR H      H  N N 405 
TYR H2     H  N N 406 
TYR HA     H  N N 407 
TYR HB2    H  N N 408 
TYR HB3    H  N N 409 
TYR HD1    H  N N 410 
TYR HD2    H  N N 411 
TYR HE1    H  N N 412 
TYR HE2    H  N N 413 
TYR HH     H  N N 414 
TYR HXT    H  N N 415 
VAL N      N  N N 416 
VAL CA     C  N S 417 
VAL C      C  N N 418 
VAL O      O  N N 419 
VAL CB     C  N N 420 
VAL CG1    C  N N 421 
VAL CG2    C  N N 422 
VAL OXT    O  N N 423 
VAL H      H  N N 424 
VAL H2     H  N N 425 
VAL HA     H  N N 426 
VAL HB     H  N N 427 
VAL HG11   H  N N 428 
VAL HG12   H  N N 429 
VAL HG13   H  N N 430 
VAL HG21   H  N N 431 
VAL HG22   H  N N 432 
VAL HG23   H  N N 433 
VAL HXT    H  N N 434 
# 
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  
GDP PB    O1B    doub N N 83  
GDP PB    O2B    sing N N 84  
GDP PB    O3B    sing N N 85  
GDP PB    O3A    sing N N 86  
GDP O2B   HOB2   sing N N 87  
GDP O3B   HOB3   sing N N 88  
GDP O3A   PA     sing N N 89  
GDP PA    O1A    doub N N 90  
GDP PA    O2A    sing N N 91  
GDP PA    "O5'"  sing N N 92  
GDP O2A   HOA2   sing N N 93  
GDP "O5'" "C5'"  sing N N 94  
GDP "C5'" "C4'"  sing N N 95  
GDP "C5'" "H5'"  sing N N 96  
GDP "C5'" "H5''" sing N N 97  
GDP "C4'" "O4'"  sing N N 98  
GDP "C4'" "C3'"  sing N N 99  
GDP "C4'" "H4'"  sing N N 100 
GDP "O4'" "C1'"  sing N N 101 
GDP "C3'" "O3'"  sing N N 102 
GDP "C3'" "C2'"  sing N N 103 
GDP "C3'" "H3'"  sing N N 104 
GDP "O3'" "HO3'" sing N N 105 
GDP "C2'" "O2'"  sing N N 106 
GDP "C2'" "C1'"  sing N N 107 
GDP "C2'" "H2'"  sing N N 108 
GDP "O2'" "HO2'" sing N N 109 
GDP "C1'" N9     sing N N 110 
GDP "C1'" "H1'"  sing N N 111 
GDP N9    C8     sing Y N 112 
GDP N9    C4     sing Y N 113 
GDP C8    N7     doub Y N 114 
GDP C8    H8     sing N N 115 
GDP N7    C5     sing Y N 116 
GDP C5    C6     sing N N 117 
GDP C5    C4     doub Y N 118 
GDP C6    O6     doub N N 119 
GDP C6    N1     sing N N 120 
GDP N1    C2     sing N N 121 
GDP N1    HN1    sing N N 122 
GDP C2    N2     sing N N 123 
GDP C2    N3     doub N N 124 
GDP N2    HN21   sing N N 125 
GDP N2    HN22   sing N N 126 
GDP N3    C4     sing N N 127 
GLN N     CA     sing N N 128 
GLN N     H      sing N N 129 
GLN N     H2     sing N N 130 
GLN CA    C      sing N N 131 
GLN CA    CB     sing N N 132 
GLN CA    HA     sing N N 133 
GLN C     O      doub N N 134 
GLN C     OXT    sing N N 135 
GLN CB    CG     sing N N 136 
GLN CB    HB2    sing N N 137 
GLN CB    HB3    sing N N 138 
GLN CG    CD     sing N N 139 
GLN CG    HG2    sing N N 140 
GLN CG    HG3    sing N N 141 
GLN CD    OE1    doub N N 142 
GLN CD    NE2    sing N N 143 
GLN NE2   HE21   sing N N 144 
GLN NE2   HE22   sing N N 145 
GLN OXT   HXT    sing N N 146 
GLU N     CA     sing N N 147 
GLU N     H      sing N N 148 
GLU N     H2     sing N N 149 
GLU CA    C      sing N N 150 
GLU CA    CB     sing N N 151 
GLU CA    HA     sing N N 152 
GLU C     O      doub N N 153 
GLU C     OXT    sing N N 154 
GLU CB    CG     sing N N 155 
GLU CB    HB2    sing N N 156 
GLU CB    HB3    sing N N 157 
GLU CG    CD     sing N N 158 
GLU CG    HG2    sing N N 159 
GLU CG    HG3    sing N N 160 
GLU CD    OE1    doub N N 161 
GLU CD    OE2    sing N N 162 
GLU OE2   HE2    sing N N 163 
GLU OXT   HXT    sing N N 164 
GLY N     CA     sing N N 165 
GLY N     H      sing N N 166 
GLY N     H2     sing N N 167 
GLY CA    C      sing N N 168 
GLY CA    HA2    sing N N 169 
GLY CA    HA3    sing N N 170 
GLY C     O      doub N N 171 
GLY C     OXT    sing N N 172 
GLY OXT   HXT    sing N N 173 
HIS N     CA     sing N N 174 
HIS N     H      sing N N 175 
HIS N     H2     sing N N 176 
HIS CA    C      sing N N 177 
HIS CA    CB     sing N N 178 
HIS CA    HA     sing N N 179 
HIS C     O      doub N N 180 
HIS C     OXT    sing N N 181 
HIS CB    CG     sing N N 182 
HIS CB    HB2    sing N N 183 
HIS CB    HB3    sing N N 184 
HIS CG    ND1    sing Y N 185 
HIS CG    CD2    doub Y N 186 
HIS ND1   CE1    doub Y N 187 
HIS ND1   HD1    sing N N 188 
HIS CD2   NE2    sing Y N 189 
HIS CD2   HD2    sing N N 190 
HIS CE1   NE2    sing Y N 191 
HIS CE1   HE1    sing N N 192 
HIS NE2   HE2    sing N N 193 
HIS OXT   HXT    sing N N 194 
HOH O     H1     sing N N 195 
HOH O     H2     sing N N 196 
ILE N     CA     sing N N 197 
ILE N     H      sing N N 198 
ILE N     H2     sing N N 199 
ILE CA    C      sing N N 200 
ILE CA    CB     sing N N 201 
ILE CA    HA     sing N N 202 
ILE C     O      doub N N 203 
ILE C     OXT    sing N N 204 
ILE CB    CG1    sing N N 205 
ILE CB    CG2    sing N N 206 
ILE CB    HB     sing N N 207 
ILE CG1   CD1    sing N N 208 
ILE CG1   HG12   sing N N 209 
ILE CG1   HG13   sing N N 210 
ILE CG2   HG21   sing N N 211 
ILE CG2   HG22   sing N N 212 
ILE CG2   HG23   sing N N 213 
ILE CD1   HD11   sing N N 214 
ILE CD1   HD12   sing N N 215 
ILE CD1   HD13   sing N N 216 
ILE OXT   HXT    sing N N 217 
LEU N     CA     sing N N 218 
LEU N     H      sing N N 219 
LEU N     H2     sing N N 220 
LEU CA    C      sing N N 221 
LEU CA    CB     sing N N 222 
LEU CA    HA     sing N N 223 
LEU C     O      doub N N 224 
LEU C     OXT    sing N N 225 
LEU CB    CG     sing N N 226 
LEU CB    HB2    sing N N 227 
LEU CB    HB3    sing N N 228 
LEU CG    CD1    sing N N 229 
LEU CG    CD2    sing N N 230 
LEU CG    HG     sing N N 231 
LEU CD1   HD11   sing N N 232 
LEU CD1   HD12   sing N N 233 
LEU CD1   HD13   sing N N 234 
LEU CD2   HD21   sing N N 235 
LEU CD2   HD22   sing N N 236 
LEU CD2   HD23   sing N N 237 
LEU OXT   HXT    sing N N 238 
LYS N     CA     sing N N 239 
LYS N     H      sing N N 240 
LYS N     H2     sing N N 241 
LYS CA    C      sing N N 242 
LYS CA    CB     sing N N 243 
LYS CA    HA     sing N N 244 
LYS C     O      doub N N 245 
LYS C     OXT    sing N N 246 
LYS CB    CG     sing N N 247 
LYS CB    HB2    sing N N 248 
LYS CB    HB3    sing N N 249 
LYS CG    CD     sing N N 250 
LYS CG    HG2    sing N N 251 
LYS CG    HG3    sing N N 252 
LYS CD    CE     sing N N 253 
LYS CD    HD2    sing N N 254 
LYS CD    HD3    sing N N 255 
LYS CE    NZ     sing N N 256 
LYS CE    HE2    sing N N 257 
LYS CE    HE3    sing N N 258 
LYS NZ    HZ1    sing N N 259 
LYS NZ    HZ2    sing N N 260 
LYS NZ    HZ3    sing N N 261 
LYS OXT   HXT    sing N N 262 
MET N     CA     sing N N 263 
MET N     H      sing N N 264 
MET N     H2     sing N N 265 
MET CA    C      sing N N 266 
MET CA    CB     sing N N 267 
MET CA    HA     sing N N 268 
MET C     O      doub N N 269 
MET C     OXT    sing N N 270 
MET CB    CG     sing N N 271 
MET CB    HB2    sing N N 272 
MET CB    HB3    sing N N 273 
MET CG    SD     sing N N 274 
MET CG    HG2    sing N N 275 
MET CG    HG3    sing N N 276 
MET SD    CE     sing N N 277 
MET CE    HE1    sing N N 278 
MET CE    HE2    sing N N 279 
MET CE    HE3    sing N N 280 
MET OXT   HXT    sing N N 281 
PHE N     CA     sing N N 282 
PHE N     H      sing N N 283 
PHE N     H2     sing N N 284 
PHE CA    C      sing N N 285 
PHE CA    CB     sing N N 286 
PHE CA    HA     sing N N 287 
PHE C     O      doub N N 288 
PHE C     OXT    sing N N 289 
PHE CB    CG     sing N N 290 
PHE CB    HB2    sing N N 291 
PHE CB    HB3    sing N N 292 
PHE CG    CD1    doub Y N 293 
PHE CG    CD2    sing Y N 294 
PHE CD1   CE1    sing Y N 295 
PHE CD1   HD1    sing N N 296 
PHE CD2   CE2    doub Y N 297 
PHE CD2   HD2    sing N N 298 
PHE CE1   CZ     doub Y N 299 
PHE CE1   HE1    sing N N 300 
PHE CE2   CZ     sing Y N 301 
PHE CE2   HE2    sing N N 302 
PHE CZ    HZ     sing N N 303 
PHE OXT   HXT    sing N N 304 
PRO N     CA     sing N N 305 
PRO N     CD     sing N N 306 
PRO N     H      sing N N 307 
PRO CA    C      sing N N 308 
PRO CA    CB     sing N N 309 
PRO CA    HA     sing N N 310 
PRO C     O      doub N N 311 
PRO C     OXT    sing N N 312 
PRO CB    CG     sing N N 313 
PRO CB    HB2    sing N N 314 
PRO CB    HB3    sing N N 315 
PRO CG    CD     sing N N 316 
PRO CG    HG2    sing N N 317 
PRO CG    HG3    sing N N 318 
PRO CD    HD2    sing N N 319 
PRO CD    HD3    sing N N 320 
PRO OXT   HXT    sing N N 321 
SER N     CA     sing N N 322 
SER N     H      sing N N 323 
SER N     H2     sing N N 324 
SER CA    C      sing N N 325 
SER CA    CB     sing N N 326 
SER CA    HA     sing N N 327 
SER C     O      doub N N 328 
SER C     OXT    sing N N 329 
SER CB    OG     sing N N 330 
SER CB    HB2    sing N N 331 
SER CB    HB3    sing N N 332 
SER OG    HG     sing N N 333 
SER OXT   HXT    sing N N 334 
THR N     CA     sing N N 335 
THR N     H      sing N N 336 
THR N     H2     sing N N 337 
THR CA    C      sing N N 338 
THR CA    CB     sing N N 339 
THR CA    HA     sing N N 340 
THR C     O      doub N N 341 
THR C     OXT    sing N N 342 
THR CB    OG1    sing N N 343 
THR CB    CG2    sing N N 344 
THR CB    HB     sing N N 345 
THR OG1   HG1    sing N N 346 
THR CG2   HG21   sing N N 347 
THR CG2   HG22   sing N N 348 
THR CG2   HG23   sing N N 349 
THR OXT   HXT    sing N N 350 
TRP N     CA     sing N N 351 
TRP N     H      sing N N 352 
TRP N     H2     sing N N 353 
TRP CA    C      sing N N 354 
TRP CA    CB     sing N N 355 
TRP CA    HA     sing N N 356 
TRP C     O      doub N N 357 
TRP C     OXT    sing N N 358 
TRP CB    CG     sing N N 359 
TRP CB    HB2    sing N N 360 
TRP CB    HB3    sing N N 361 
TRP CG    CD1    doub Y N 362 
TRP CG    CD2    sing Y N 363 
TRP CD1   NE1    sing Y N 364 
TRP CD1   HD1    sing N N 365 
TRP CD2   CE2    doub Y N 366 
TRP CD2   CE3    sing Y N 367 
TRP NE1   CE2    sing Y N 368 
TRP NE1   HE1    sing N N 369 
TRP CE2   CZ2    sing Y N 370 
TRP CE3   CZ3    doub Y N 371 
TRP CE3   HE3    sing N N 372 
TRP CZ2   CH2    doub Y N 373 
TRP CZ2   HZ2    sing N N 374 
TRP CZ3   CH2    sing Y N 375 
TRP CZ3   HZ3    sing N N 376 
TRP CH2   HH2    sing N N 377 
TRP OXT   HXT    sing N N 378 
TYR N     CA     sing N N 379 
TYR N     H      sing N N 380 
TYR N     H2     sing N N 381 
TYR CA    C      sing N N 382 
TYR CA    CB     sing N N 383 
TYR CA    HA     sing N N 384 
TYR C     O      doub N N 385 
TYR C     OXT    sing N N 386 
TYR CB    CG     sing N N 387 
TYR CB    HB2    sing N N 388 
TYR CB    HB3    sing N N 389 
TYR CG    CD1    doub Y N 390 
TYR CG    CD2    sing Y N 391 
TYR CD1   CE1    sing Y N 392 
TYR CD1   HD1    sing N N 393 
TYR CD2   CE2    doub Y N 394 
TYR CD2   HD2    sing N N 395 
TYR CE1   CZ     doub Y N 396 
TYR CE1   HE1    sing N N 397 
TYR CE2   CZ     sing Y N 398 
TYR CE2   HE2    sing N N 399 
TYR CZ    OH     sing N N 400 
TYR OH    HH     sing N N 401 
TYR OXT   HXT    sing N N 402 
VAL N     CA     sing N N 403 
VAL N     H      sing N N 404 
VAL N     H2     sing N N 405 
VAL CA    C      sing N N 406 
VAL CA    CB     sing N N 407 
VAL CA    HA     sing N N 408 
VAL C     O      doub N N 409 
VAL C     OXT    sing N N 410 
VAL CB    CG1    sing N N 411 
VAL CB    CG2    sing N N 412 
VAL CB    HB     sing N N 413 
VAL CG1   HG11   sing N N 414 
VAL CG1   HG12   sing N N 415 
VAL CG1   HG13   sing N N 416 
VAL CG2   HG21   sing N N 417 
VAL CG2   HG22   sing N N 418 
VAL CG2   HG23   sing N N 419 
VAL OXT   HXT    sing N N 420 
# 
_pdbx_audit_support.funding_organization   'Council of Scientific & Industrial Research (CSIR)' 
_pdbx_audit_support.country                India 
_pdbx_audit_support.grant_number           'CSIR NCP MLP 2031' 
_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   2HEI 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8XTU 
_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]   0.025598 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.016165 
_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]   0.013580 
_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  
MG 
N  
O  
P  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N     . THR A 1 1   ? -5.404  -28.307 -7.970  1.00 81.83  ? 18  THR A N     1 
ATOM   2    C  CA    . THR A 1 1   ? -5.275  -27.215 -6.966  1.00 80.74  ? 18  THR A CA    1 
ATOM   3    C  C     . THR A 1 1   ? -6.271  -27.498 -5.835  1.00 78.28  ? 18  THR A C     1 
ATOM   4    O  O     . THR A 1 1   ? -7.466  -27.635 -6.120  1.00 79.70  ? 18  THR A O     1 
ATOM   5    C  CB    . THR A 1 1   ? -5.522  -25.827 -7.579  1.00 81.45  ? 18  THR A CB    1 
ATOM   6    O  OG1   . THR A 1 1   ? -6.785  -25.332 -7.132  1.00 79.89  ? 18  THR A OG1   1 
ATOM   7    C  CG2   . THR A 1 1   ? -5.508  -25.819 -9.089  1.00 82.55  ? 18  THR A CG2   1 
ATOM   8    N  N     . ARG A 1 2   ? -5.784  -27.590 -4.592  1.00 76.31  ? 19  ARG A N     1 
ATOM   9    C  CA    . ARG A 1 2   ? -6.652  -27.952 -3.469  1.00 71.60  ? 19  ARG A CA    1 
ATOM   10   C  C     . ARG A 1 2   ? -7.729  -26.887 -3.266  1.00 67.62  ? 19  ARG A C     1 
ATOM   11   O  O     . ARG A 1 2   ? -7.391  -25.716 -3.174  1.00 70.37  ? 19  ARG A O     1 
ATOM   12   C  CB    . ARG A 1 2   ? -5.867  -28.117 -2.168  1.00 71.80  ? 19  ARG A CB    1 
ATOM   13   C  CG    . ARG A 1 2   ? -6.734  -28.185 -0.914  1.00 69.41  ? 19  ARG A CG    1 
ATOM   14   C  CD    . ARG A 1 2   ? -6.286  -29.234 0.050   1.00 69.07  ? 19  ARG A CD    1 
ATOM   15   N  NE    . ARG A 1 2   ? -6.981  -29.156 1.325   1.00 67.53  ? 19  ARG A NE    1 
ATOM   16   C  CZ    . ARG A 1 2   ? -6.441  -29.480 2.496   1.00 70.00  ? 19  ARG A CZ    1 
ATOM   17   N  NH1   . ARG A 1 2   ? -5.128  -29.578 2.619   1.00 73.10  ? 19  ARG A NH1   1 
ATOM   18   N  NH2   . ARG A 1 2   ? -7.216  -29.700 3.544   1.00 69.23  ? 19  ARG A NH2   1 
ATOM   19   N  N     . LYS A 1 3   ? -8.995  -27.299 -3.218  1.00 62.48  ? 20  LYS A N     1 
ATOM   20   C  CA    . LYS A 1 3   ? -10.072 -26.369 -2.896  1.00 59.91  ? 20  LYS A CA    1 
ATOM   21   C  C     . LYS A 1 3   ? -10.457 -26.577 -1.432  1.00 57.19  ? 20  LYS A C     1 
ATOM   22   O  O     . LYS A 1 3   ? -10.578 -27.730 -1.014  1.00 57.20  ? 20  LYS A O     1 
ATOM   23   C  CB    . LYS A 1 3   ? -11.268 -26.580 -3.818  1.00 60.80  ? 20  LYS A CB    1 
ATOM   24   N  N     . PHE A 1 4   ? -10.595 -25.487 -0.674  1.00 53.15  ? 21  PHE A N     1 
ATOM   25   C  CA    . PHE A 1 4   ? -11.037 -25.563 0.718   1.00 48.61  ? 21  PHE A CA    1 
ATOM   26   C  C     . PHE A 1 4   ? -12.495 -25.125 0.766   1.00 46.16  ? 21  PHE A C     1 
ATOM   27   O  O     . PHE A 1 4   ? -12.781 -24.015 0.337   1.00 48.00  ? 21  PHE A O     1 
ATOM   28   C  CB    . PHE A 1 4   ? -10.181 -24.644 1.580   1.00 48.80  ? 21  PHE A CB    1 
ATOM   29   C  CG    . PHE A 1 4   ? -8.717  -24.983 1.654   1.00 52.94  ? 21  PHE A CG    1 
ATOM   30   C  CD1   . PHE A 1 4   ? -7.850  -24.623 0.636   1.00 57.03  ? 21  PHE A CD1   1 
ATOM   31   C  CD2   . PHE A 1 4   ? -8.202  -25.636 2.762   1.00 53.61  ? 21  PHE A CD2   1 
ATOM   32   C  CE1   . PHE A 1 4   ? -6.500  -24.924 0.716   1.00 60.72  ? 21  PHE A CE1   1 
ATOM   33   C  CE2   . PHE A 1 4   ? -6.852  -25.936 2.842   1.00 56.20  ? 21  PHE A CE2   1 
ATOM   34   C  CZ    . PHE A 1 4   ? -6.003  -25.579 1.822   1.00 59.27  ? 21  PHE A CZ    1 
ATOM   35   N  N     . LYS A 1 5   ? -13.391 -25.991 1.241   1.00 44.31  ? 22  LYS A N     1 
ATOM   36   C  CA    . LYS A 1 5   ? -14.798 -25.654 1.327   1.00 44.38  ? 22  LYS A CA    1 
ATOM   37   C  C     . LYS A 1 5   ? -14.996 -24.673 2.478   1.00 43.73  ? 22  LYS A C     1 
ATOM   38   O  O     . LYS A 1 5   ? -14.612 -24.961 3.611   1.00 45.24  ? 22  LYS A O     1 
ATOM   39   C  CB    . LYS A 1 5   ? -15.592 -26.935 1.579   1.00 44.37  ? 22  LYS A CB    1 
ATOM   40   C  CG    . LYS A 1 5   ? -17.111 -26.813 1.630   1.00 45.53  ? 22  LYS A CG    1 
ATOM   41   C  CD    . LYS A 1 5   ? -17.804 -28.068 2.156   1.00 45.66  ? 22  LYS A CD    1 
ATOM   42   C  CE    . LYS A 1 5   ? -19.300 -28.032 1.935   1.00 46.27  ? 22  LYS A CE    1 
ATOM   43   N  NZ    . LYS A 1 5   ? -19.939 -29.292 2.374   1.00 47.94  ? 22  LYS A NZ    1 
ATOM   44   N  N     . LEU A 1 6   ? -15.594 -23.515 2.181   1.00 44.88  ? 23  LEU A N     1 
ATOM   45   C  CA    . LEU A 1 6   ? -15.945 -22.548 3.208   1.00 42.98  ? 23  LEU A CA    1 
ATOM   46   C  C     . LEU A 1 6   ? -17.446 -22.267 3.116   1.00 42.80  ? 23  LEU A C     1 
ATOM   47   O  O     . LEU A 1 6   ? -17.966 -21.960 2.045   1.00 42.60  ? 23  LEU A O     1 
ATOM   48   C  CB    . LEU A 1 6   ? -15.078 -21.304 3.015   1.00 44.17  ? 23  LEU A CB    1 
ATOM   49   C  CG    . LEU A 1 6   ? -15.029 -20.309 4.177   1.00 45.88  ? 23  LEU A CG    1 
ATOM   50   C  CD1   . LEU A 1 6   ? -14.064 -19.167 3.877   1.00 46.24  ? 23  LEU A CD1   1 
ATOM   51   C  CD2   . LEU A 1 6   ? -16.407 -19.734 4.484   1.00 47.60  ? 23  LEU A CD2   1 
ATOM   52   N  N     . VAL A 1 7   ? -18.145 -22.386 4.251   1.00 43.36  ? 24  VAL A N     1 
ATOM   53   C  CA    . VAL A 1 7   ? -19.591 -22.232 4.269   1.00 45.06  ? 24  VAL A CA    1 
ATOM   54   C  C     . VAL A 1 7   ? -19.998 -20.995 5.070   1.00 45.03  ? 24  VAL A C     1 
ATOM   55   O  O     . VAL A 1 7   ? -19.308 -20.513 5.969   1.00 41.92  ? 24  VAL A O     1 
ATOM   56   C  CB    . VAL A 1 7   ? -20.315 -23.478 4.811   1.00 45.02  ? 24  VAL A CB    1 
ATOM   57   C  CG1   . VAL A 1 7   ? -20.032 -24.709 3.965   1.00 46.70  ? 24  VAL A CG1   1 
ATOM   58   C  CG2   . VAL A 1 7   ? -19.989 -23.732 6.274   1.00 44.81  ? 24  VAL A CG2   1 
ATOM   59   N  N     . LEU A 1 8   ? -21.197 -20.538 4.733   1.00 47.38  ? 25  LEU A N     1 
ATOM   60   C  CA    . LEU A 1 8   ? -21.832 -19.397 5.345   1.00 47.70  ? 25  LEU A CA    1 
ATOM   61   C  C     . LEU A 1 8   ? -23.071 -19.892 6.080   1.00 46.22  ? 25  LEU A C     1 
ATOM   62   O  O     . LEU A 1 8   ? -23.951 -20.483 5.458   1.00 46.04  ? 25  LEU A O     1 
ATOM   63   C  CB    . LEU A 1 8   ? -22.187 -18.420 4.225   1.00 50.76  ? 25  LEU A CB    1 
ATOM   64   C  CG    . LEU A 1 8   ? -21.259 -17.212 4.092   1.00 52.32  ? 25  LEU A CG    1 
ATOM   65   C  CD1   . LEU A 1 8   ? -19.800 -17.614 3.928   1.00 51.75  ? 25  LEU A CD1   1 
ATOM   66   C  CD2   . LEU A 1 8   ? -21.678 -16.374 2.903   1.00 55.54  ? 25  LEU A CD2   1 
ATOM   67   N  N     . LEU A 1 9   ? -23.106 -19.638 7.393   1.00 44.78  ? 26  LEU A N     1 
ATOM   68   C  CA    . LEU A 1 9   ? -24.253 -19.920 8.232   1.00 45.49  ? 26  LEU A CA    1 
ATOM   69   C  C     . LEU A 1 9   ? -24.622 -18.644 8.964   1.00 43.71  ? 26  LEU A C     1 
ATOM   70   O  O     . LEU A 1 9   ? -23.809 -17.732 9.021   1.00 39.31  ? 26  LEU A O     1 
ATOM   71   C  CB    . LEU A 1 9   ? -23.856 -20.983 9.251   1.00 46.44  ? 26  LEU A CB    1 
ATOM   72   C  CG    . LEU A 1 9   ? -23.389 -22.302 8.663   1.00 47.34  ? 26  LEU A CG    1 
ATOM   73   C  CD1   . LEU A 1 9   ? -22.910 -23.223 9.771   1.00 48.80  ? 26  LEU A CD1   1 
ATOM   74   C  CD2   . LEU A 1 9   ? -24.525 -22.933 7.880   1.00 49.80  ? 26  LEU A CD2   1 
ATOM   75   N  N     . GLY A 1 10  ? -25.819 -18.652 9.569   1.00 47.57  ? 27  GLY A N     1 
ATOM   76   C  CA    . GLY A 1 10  ? -26.382 -17.512 10.276  1.00 49.14  ? 27  GLY A CA    1 
ATOM   77   C  C     . GLY A 1 10  ? -27.849 -17.339 9.891   1.00 51.82  ? 27  GLY A C     1 
ATOM   78   O  O     . GLY A 1 10  ? -28.303 -17.987 8.958   1.00 49.17  ? 27  GLY A O     1 
ATOM   79   N  N     . GLU A 1 11  ? -28.566 -16.459 10.610  1.00 56.01  ? 28  GLU A N     1 
ATOM   80   C  CA    . GLU A 1 11  ? -29.987 -16.237 10.390  1.00 59.76  ? 28  GLU A CA    1 
ATOM   81   C  C     . GLU A 1 11  ? -30.197 -15.590 9.033   1.00 59.25  ? 28  GLU A C     1 
ATOM   82   O  O     . GLU A 1 11  ? -29.253 -15.119 8.410   1.00 55.58  ? 28  GLU A O     1 
ATOM   83   C  CB    . GLU A 1 11  ? -30.596 -15.339 11.471  1.00 63.77  ? 28  GLU A CB    1 
ATOM   84   C  CG    . GLU A 1 11  ? -30.866 -16.047 12.785  1.00 67.68  ? 28  GLU A CG    1 
ATOM   85   C  CD    . GLU A 1 11  ? -31.685 -17.332 12.715  1.00 73.28  ? 28  GLU A CD    1 
ATOM   86   O  OE1   . GLU A 1 11  ? -31.171 -18.382 13.187  1.00 75.82  ? 28  GLU A OE1   1 
ATOM   87   O  OE2   . GLU A 1 11  ? -32.811 -17.298 12.143  1.00 76.29  ? 28  GLU A OE2   1 
ATOM   88   N  N     . SER A 1 12  ? -31.451 -15.574 8.586   1.00 61.95  ? 29  SER A N     1 
ATOM   89   C  CA    . SER A 1 12  ? -31.772 -14.942 7.318   1.00 64.97  ? 29  SER A CA    1 
ATOM   90   C  C     . SER A 1 12  ? -31.683 -13.425 7.472   1.00 64.46  ? 29  SER A C     1 
ATOM   91   O  O     . SER A 1 12  ? -32.043 -12.885 8.507   1.00 64.29  ? 29  SER A O     1 
ATOM   92   C  CB    . SER A 1 12  ? -33.129 -15.370 6.877   1.00 70.53  ? 29  SER A CB    1 
ATOM   93   O  OG    . SER A 1 12  ? -33.942 -15.586 8.019   1.00 74.55  ? 29  SER A OG    1 
ATOM   94   N  N     . GLY A 1 13  ? -31.154 -12.753 6.452   1.00 64.52  ? 30  GLY A N     1 
ATOM   95   C  CA    . GLY A 1 13  ? -31.122 -11.300 6.403   1.00 63.78  ? 30  GLY A CA    1 
ATOM   96   C  C     . GLY A 1 13  ? -29.938 -10.676 7.145   1.00 58.56  ? 30  GLY A C     1 
ATOM   97   O  O     . GLY A 1 13  ? -29.801 -9.449  7.173   1.00 57.59  ? 30  GLY A O     1 
ATOM   98   N  N     . VAL A 1 14  ? -29.082 -11.519 7.728   1.00 53.72  ? 31  VAL A N     1 
ATOM   99   C  CA    . VAL A 1 14  ? -27.898 -11.047 8.427   1.00 52.30  ? 31  VAL A CA    1 
ATOM   100  C  C     . VAL A 1 14  ? -26.853 -10.507 7.438   1.00 52.84  ? 31  VAL A C     1 
ATOM   101  O  O     . VAL A 1 14  ? -26.044 -9.652  7.822   1.00 52.93  ? 31  VAL A O     1 
ATOM   102  C  CB    . VAL A 1 14  ? -27.308 -12.117 9.368   1.00 51.47  ? 31  VAL A CB    1 
ATOM   103  C  CG1   . VAL A 1 14  ? -28.333 -12.617 10.391  1.00 52.39  ? 31  VAL A CG1   1 
ATOM   104  C  CG2   . VAL A 1 14  ? -26.672 -13.266 8.594   1.00 50.62  ? 31  VAL A CG2   1 
ATOM   105  N  N     . GLY A 1 15  ? -26.859 -11.014 6.190   1.00 52.79  ? 32  GLY A N     1 
ATOM   106  C  CA    . GLY A 1 15  ? -26.072 -10.465 5.087   1.00 50.94  ? 32  GLY A CA    1 
ATOM   107  C  C     . GLY A 1 15  ? -25.112 -11.461 4.431   1.00 47.61  ? 32  GLY A C     1 
ATOM   108  O  O     . GLY A 1 15  ? -24.215 -11.055 3.685   1.00 43.94  ? 32  GLY A O     1 
ATOM   109  N  N     . LYS A 1 16  ? -25.332 -12.761 4.694   1.00 47.43  ? 33  LYS A N     1 
ATOM   110  C  CA    . LYS A 1 16  ? -24.480 -13.822 4.187   1.00 47.89  ? 33  LYS A CA    1 
ATOM   111  C  C     . LYS A 1 16  ? -24.285 -13.634 2.683   1.00 49.76  ? 33  LYS A C     1 
ATOM   112  O  O     . LYS A 1 16  ? -23.152 -13.479 2.217   1.00 48.24  ? 33  LYS A O     1 
ATOM   113  C  CB    . LYS A 1 16  ? -25.091 -15.214 4.403   1.00 49.22  ? 33  LYS A CB    1 
ATOM   114  C  CG    . LYS A 1 16  ? -25.139 -15.715 5.839   1.00 46.72  ? 33  LYS A CG    1 
ATOM   115  C  CD    . LYS A 1 16  ? -25.858 -17.026 6.010   1.00 47.39  ? 33  LYS A CD    1 
ATOM   116  C  CE    . LYS A 1 16  ? -27.252 -17.096 5.405   1.00 51.27  ? 33  LYS A CE    1 
ATOM   117  N  NZ    . LYS A 1 16  ? -28.268 -16.325 6.170   1.00 53.14  ? 33  LYS A NZ    1 
ATOM   118  N  N     . SER A 1 17  ? -25.398 -13.663 1.950   1.00 52.96  ? 34  SER A N     1 
ATOM   119  C  CA    . SER A 1 17  ? -25.341 -13.567 0.492   1.00 55.69  ? 34  SER A CA    1 
ATOM   120  C  C     . SER A 1 17  ? -24.613 -12.291 0.058   1.00 55.76  ? 34  SER A C     1 
ATOM   121  O  O     . SER A 1 17  ? -23.844 -12.346 -0.902  1.00 55.42  ? 34  SER A O     1 
ATOM   122  C  CB    . SER A 1 17  ? -26.720 -13.640 -0.097  1.00 59.58  ? 34  SER A CB    1 
ATOM   123  O  OG    . SER A 1 17  ? -27.506 -14.598 0.597   1.00 61.78  ? 34  SER A OG    1 
ATOM   124  N  N     . SER A 1 18  ? -24.862 -11.179 0.757   1.00 54.04  ? 35  SER A N     1 
ATOM   125  C  CA    . SER A 1 18  ? -24.236 -9.912  0.373   1.00 53.65  ? 35  SER A CA    1 
ATOM   126  C  C     . SER A 1 18  ? -22.735 -9.929  0.685   1.00 49.94  ? 35  SER A C     1 
ATOM   127  O  O     . SER A 1 18  ? -21.964 -9.328  -0.066  1.00 49.53  ? 35  SER A O     1 
ATOM   128  C  CB    . SER A 1 18  ? -24.933 -8.762  1.026   1.00 55.08  ? 35  SER A CB    1 
ATOM   129  O  OG    . SER A 1 18  ? -26.338 -8.895  0.907   1.00 56.98  ? 35  SER A OG    1 
ATOM   130  N  N     . VAL A 1 19  ? -22.343 -10.612 1.764   1.00 47.13  ? 36  VAL A N     1 
ATOM   131  C  CA    . VAL A 1 19  ? -20.940 -10.632 2.134   1.00 46.39  ? 36  VAL A CA    1 
ATOM   132  C  C     . VAL A 1 19  ? -20.130 -11.220 0.991   1.00 48.88  ? 36  VAL A C     1 
ATOM   133  O  O     . VAL A 1 19  ? -19.032 -10.751 0.693   1.00 50.01  ? 36  VAL A O     1 
ATOM   134  C  CB    . VAL A 1 19  ? -20.676 -11.385 3.448   1.00 43.45  ? 36  VAL A CB    1 
ATOM   135  C  CG1   . VAL A 1 19  ? -19.181 -11.583 3.686   1.00 41.75  ? 36  VAL A CG1   1 
ATOM   136  C  CG2   . VAL A 1 19  ? -21.299 -10.653 4.622   1.00 42.55  ? 36  VAL A CG2   1 
ATOM   137  N  N     . VAL A 1 20  ? -20.694 -12.252 0.362   1.00 50.60  ? 37  VAL A N     1 
ATOM   138  C  CA    . VAL A 1 20  ? -19.889 -13.012 -0.572  1.00 51.35  ? 37  VAL A CA    1 
ATOM   139  C  C     . VAL A 1 20  ? -19.913 -12.288 -1.904  1.00 52.94  ? 37  VAL A C     1 
ATOM   140  O  O     . VAL A 1 20  ? -18.852 -12.069 -2.487  1.00 52.56  ? 37  VAL A O     1 
ATOM   141  C  CB    . VAL A 1 20  ? -20.294 -14.497 -0.646  1.00 51.77  ? 37  VAL A CB    1 
ATOM   142  C  CG1   . VAL A 1 20  ? -21.745 -14.730 -1.052  1.00 54.73  ? 37  VAL A CG1   1 
ATOM   143  C  CG2   . VAL A 1 20  ? -19.343 -15.274 -1.534  1.00 52.55  ? 37  VAL A CG2   1 
ATOM   144  N  N     . GLN A 1 21  ? -21.112 -11.861 -2.322  1.00 56.52  ? 38  GLN A N     1 
ATOM   145  C  CA    . GLN A 1 21  ? -21.211 -10.994 -3.484  1.00 61.96  ? 38  GLN A CA    1 
ATOM   146  C  C     . GLN A 1 21  ? -20.172 -9.882  -3.360  1.00 60.94  ? 38  GLN A C     1 
ATOM   147  O  O     . GLN A 1 21  ? -19.340 -9.724  -4.251  1.00 60.29  ? 38  GLN A O     1 
ATOM   148  C  CB    . GLN A 1 21  ? -22.637 -10.480 -3.682  1.00 67.74  ? 38  GLN A CB    1 
ATOM   149  C  CG    . GLN A 1 21  ? -23.592 -11.588 -4.129  1.00 72.27  ? 38  GLN A CG    1 
ATOM   150  C  CD    . GLN A 1 21  ? -25.047 -11.330 -3.804  1.00 77.41  ? 38  GLN A CD    1 
ATOM   151  O  OE1   . GLN A 1 21  ? -25.485 -10.198 -3.592  1.00 82.23  ? 38  GLN A OE1   1 
ATOM   152  N  N     . ARG A 1 22  ? -20.174 -9.142  -2.252  1.00 60.22  ? 39  ARG A N     1 
ATOM   153  C  CA    . ARG A 1 22  ? -19.149 -8.106  -2.079  1.00 62.98  ? 39  ARG A CA    1 
ATOM   154  C  C     . ARG A 1 22  ? -17.751 -8.687  -2.285  1.00 61.52  ? 39  ARG A C     1 
ATOM   155  O  O     . ARG A 1 22  ? -16.914 -8.037  -2.913  1.00 62.25  ? 39  ARG A O     1 
ATOM   156  C  CB    . ARG A 1 22  ? -19.208 -7.457  -0.695  1.00 63.50  ? 39  ARG A CB    1 
ATOM   157  C  CG    . ARG A 1 22  ? -18.300 -6.240  -0.557  1.00 67.07  ? 39  ARG A CG    1 
ATOM   158  C  CD    . ARG A 1 22  ? -18.469 -5.289  -1.731  1.00 71.94  ? 39  ARG A CD    1 
ATOM   159  N  NE    . ARG A 1 22  ? -18.014 -3.938  -1.457  1.00 76.51  ? 39  ARG A NE    1 
ATOM   160  C  CZ    . ARG A 1 22  ? -16.747 -3.534  -1.527  1.00 78.22  ? 39  ARG A CZ    1 
ATOM   161  N  NH1   . ARG A 1 22  ? -16.458 -2.248  -1.405  1.00 78.38  ? 39  ARG A NH1   1 
ATOM   162  N  NH2   . ARG A 1 22  ? -15.769 -4.414  -1.703  1.00 76.75  ? 39  ARG A NH2   1 
ATOM   163  N  N     . LEU A 1 23  ? -17.505 -9.884  -1.756  1.00 60.70  ? 40  LEU A N     1 
ATOM   164  C  CA    . LEU A 1 23  ? -16.159 -10.423 -1.857  1.00 61.31  ? 40  LEU A CA    1 
ATOM   165  C  C     . LEU A 1 23  ? -15.774 -10.538 -3.322  1.00 63.07  ? 40  LEU A C     1 
ATOM   166  O  O     . LEU A 1 23  ? -14.654 -10.211 -3.707  1.00 65.59  ? 40  LEU A O     1 
ATOM   167  C  CB    . LEU A 1 23  ? -16.088 -11.798 -1.191  1.00 59.30  ? 40  LEU A CB    1 
ATOM   168  C  CG    . LEU A 1 23  ? -14.772 -12.543 -1.413  1.00 59.33  ? 40  LEU A CG    1 
ATOM   169  C  CD1   . LEU A 1 23  ? -13.617 -11.873 -0.683  1.00 58.60  ? 40  LEU A CD1   1 
ATOM   170  C  CD2   . LEU A 1 23  ? -14.904 -13.985 -0.968  1.00 59.27  ? 40  LEU A CD2   1 
ATOM   171  N  N     . MET A 1 24  ? -16.731 -11.030 -4.106  1.00 62.89  ? 41  MET A N     1 
ATOM   172  C  CA    . MET A 1 24  ? -16.481 -11.430 -5.474  1.00 64.42  ? 41  MET A CA    1 
ATOM   173  C  C     . MET A 1 24  ? -16.273 -10.183 -6.325  1.00 67.03  ? 41  MET A C     1 
ATOM   174  O  O     . MET A 1 24  ? -15.241 -10.062 -6.983  1.00 69.58  ? 41  MET A O     1 
ATOM   175  C  CB    . MET A 1 24  ? -17.664 -12.257 -5.982  1.00 64.64  ? 41  MET A CB    1 
ATOM   176  C  CG    . MET A 1 24  ? -17.799 -13.586 -5.238  1.00 63.35  ? 41  MET A CG    1 
ATOM   177  S  SD    . MET A 1 24  ? -16.327 -14.673 -5.262  1.00 62.99  ? 41  MET A SD    1 
ATOM   178  C  CE    . MET A 1 24  ? -16.340 -15.222 -6.969  1.00 65.87  ? 41  MET A CE    1 
ATOM   179  N  N     . LYS A 1 25  ? -17.229 -9.245  -6.233  1.00 66.60  ? 42  LYS A N     1 
ATOM   180  C  CA    . LYS A 1 25  ? -17.168 -7.933  -6.862  1.00 68.45  ? 42  LYS A CA    1 
ATOM   181  C  C     . LYS A 1 25  ? -15.799 -7.279  -6.659  1.00 70.39  ? 42  LYS A C     1 
ATOM   182  O  O     . LYS A 1 25  ? -15.168 -6.863  -7.628  1.00 74.34  ? 42  LYS A O     1 
ATOM   183  C  CB    . LYS A 1 25  ? -18.286 -7.031  -6.330  1.00 65.59  ? 42  LYS A CB    1 
ATOM   184  N  N     . ASP A 1 26  ? -15.319 -7.216  -5.413  1.00 68.21  ? 43  ASP A N     1 
ATOM   185  C  CA    . ASP A 1 26  ? -14.061 -6.531  -5.151  1.00 71.84  ? 43  ASP A CA    1 
ATOM   186  C  C     . ASP A 1 26  ? -12.882 -7.322  -5.722  1.00 74.01  ? 43  ASP A C     1 
ATOM   187  O  O     . ASP A 1 26  ? -11.828 -6.745  -5.990  1.00 78.43  ? 43  ASP A O     1 
ATOM   188  C  CB    . ASP A 1 26  ? -13.891 -6.148  -3.674  1.00 69.70  ? 43  ASP A CB    1 
ATOM   189  N  N     . ALA A 1 27  ? -13.050 -8.633  -5.920  1.00 73.23  ? 44  ALA A N     1 
ATOM   190  C  CA    . ALA A 1 27  ? -11.930 -9.450  -6.357  1.00 74.90  ? 44  ALA A CA    1 
ATOM   191  C  C     . ALA A 1 27  ? -11.793 -9.388  -7.876  1.00 79.17  ? 44  ALA A C     1 
ATOM   192  O  O     . ALA A 1 27  ? -10.678 -9.484  -8.400  1.00 82.65  ? 44  ALA A O     1 
ATOM   193  C  CB    . ALA A 1 27  ? -12.081 -10.860 -5.857  1.00 72.04  ? 44  ALA A CB    1 
ATOM   194  N  N     . PHE A 1 28  ? -12.925 -9.199  -8.574  1.00 79.96  ? 45  PHE A N     1 
ATOM   195  C  CA    . PHE A 1 28  ? -12.912 -9.049  -10.021 1.00 84.63  ? 45  PHE A CA    1 
ATOM   196  C  C     . PHE A 1 28  ? -12.209 -7.743  -10.415 1.00 90.90  ? 45  PHE A C     1 
ATOM   197  O  O     . PHE A 1 28  ? -11.584 -7.701  -11.478 1.00 98.34  ? 45  PHE A O     1 
ATOM   198  C  CB    . PHE A 1 28  ? -14.332 -9.156  -10.600 1.00 84.46  ? 45  PHE A CB    1 
ATOM   199  C  CG    . PHE A 1 28  ? -14.437 -8.790  -12.063 1.00 87.34  ? 45  PHE A CG    1 
ATOM   200  C  CD1   . PHE A 1 28  ? -14.168 -9.721  -13.062 1.00 87.52  ? 45  PHE A CD1   1 
ATOM   201  C  CD2   . PHE A 1 28  ? -14.787 -7.491  -12.415 1.00 90.79  ? 45  PHE A CD2   1 
ATOM   202  C  CE1   . PHE A 1 28  ? -14.224 -9.372  -14.400 1.00 91.44  ? 45  PHE A CE1   1 
ATOM   203  N  N     . SER A 1 29  ? -12.250 -6.715  -9.540  1.00 91.06  ? 46  SER A N     1 
ATOM   204  C  CA    . SER A 1 29  ? -11.616 -5.421  -9.781  1.00 92.62  ? 46  SER A CA    1 
ATOM   205  C  C     . SER A 1 29  ? -10.082 -5.431  -9.644  1.00 96.04  ? 46  SER A C     1 
ATOM   206  O  O     . SER A 1 29  ? -9.497  -4.350  -9.563  1.00 99.35  ? 46  SER A O     1 
ATOM   207  C  CB    . SER A 1 29  ? -12.236 -4.377  -8.878  1.00 89.44  ? 46  SER A CB    1 
ATOM   208  N  N     . GLU A 1 30  ? -9.413  -6.607  -9.620  1.00 95.54  ? 47  GLU A N     1 
ATOM   209  C  CA    . GLU A 1 30  ? -7.980  -6.720  -9.905  1.00 98.56  ? 47  GLU A CA    1 
ATOM   210  C  C     . GLU A 1 30  ? -7.698  -6.273  -11.355 1.00 101.12 ? 47  GLU A C     1 
ATOM   211  O  O     . GLU A 1 30  ? -7.270  -7.117  -12.176 1.00 101.42 ? 47  GLU A O     1 
ATOM   212  C  CB    . GLU A 1 30  ? -7.490  -8.150  -9.629  1.00 95.20  ? 47  GLU A CB    1 
ATOM   213  N  N     . ALA A 1 38  ? -28.350 -24.539 -3.183  1.00 79.88  ? 55  ALA A N     1 
ATOM   214  C  CA    . ALA A 1 38  ? -27.320 -23.584 -2.686  1.00 75.23  ? 55  ALA A CA    1 
ATOM   215  C  C     . ALA A 1 38  ? -26.539 -22.954 -3.837  1.00 73.70  ? 55  ALA A C     1 
ATOM   216  O  O     . ALA A 1 38  ? -26.782 -23.290 -4.998  1.00 78.66  ? 55  ALA A O     1 
ATOM   217  C  CB    . ALA A 1 38  ? -26.387 -24.277 -1.716  1.00 73.70  ? 55  ALA A CB    1 
ATOM   218  N  N     . SER A 1 39  ? -25.636 -22.023 -3.494  1.00 66.76  ? 56  SER A N     1 
ATOM   219  C  CA    . SER A 1 39  ? -24.765 -21.387 -4.469  1.00 65.48  ? 56  SER A CA    1 
ATOM   220  C  C     . SER A 1 39  ? -23.309 -21.530 -4.045  1.00 61.70  ? 56  SER A C     1 
ATOM   221  O  O     . SER A 1 39  ? -23.020 -21.703 -2.865  1.00 60.39  ? 56  SER A O     1 
ATOM   222  C  CB    . SER A 1 39  ? -25.149 -19.955 -4.645  1.00 65.99  ? 56  SER A CB    1 
ATOM   223  O  OG    . SER A 1 39  ? -26.527 -19.871 -4.959  1.00 68.86  ? 56  SER A OG    1 
ATOM   224  N  N     . PHE A 1 40  ? -22.391 -21.428 -5.015  1.00 59.93  ? 57  PHE A N     1 
ATOM   225  C  CA    . PHE A 1 40  ? -20.978 -21.696 -4.778  1.00 55.43  ? 57  PHE A CA    1 
ATOM   226  C  C     . PHE A 1 40  ? -20.123 -20.639 -5.472  1.00 55.35  ? 57  PHE A C     1 
ATOM   227  O  O     . PHE A 1 40  ? -20.422 -20.210 -6.579  1.00 56.45  ? 57  PHE A O     1 
ATOM   228  C  CB    . PHE A 1 40  ? -20.599 -23.098 -5.268  1.00 54.66  ? 57  PHE A CB    1 
ATOM   229  C  CG    . PHE A 1 40  ? -21.553 -24.211 -4.911  1.00 51.93  ? 57  PHE A CG    1 
ATOM   230  C  CD1   . PHE A 1 40  ? -21.693 -24.646 -3.602  1.00 48.11  ? 57  PHE A CD1   1 
ATOM   231  C  CD2   . PHE A 1 40  ? -22.335 -24.811 -5.893  1.00 54.24  ? 57  PHE A CD2   1 
ATOM   232  C  CE1   . PHE A 1 40  ? -22.581 -25.667 -3.290  1.00 49.45  ? 57  PHE A CE1   1 
ATOM   233  C  CE2   . PHE A 1 40  ? -23.223 -25.829 -5.575  1.00 53.95  ? 57  PHE A CE2   1 
ATOM   234  C  CZ    . PHE A 1 40  ? -23.355 -26.248 -4.275  1.00 51.99  ? 57  PHE A CZ    1 
ATOM   235  N  N     . PHE A 1 41  ? -19.050 -20.205 -4.823  1.00 54.92  ? 58  PHE A N     1 
ATOM   236  C  CA    . PHE A 1 41  ? -18.240 -19.149 -5.403  1.00 57.39  ? 58  PHE A CA    1 
ATOM   237  C  C     . PHE A 1 41  ? -16.766 -19.495 -5.236  1.00 57.62  ? 58  PHE A C     1 
ATOM   238  O  O     . PHE A 1 41  ? -16.277 -19.770 -4.143  1.00 57.88  ? 58  PHE A O     1 
ATOM   239  C  CB    . PHE A 1 41  ? -18.575 -17.788 -4.796  1.00 56.85  ? 58  PHE A CB    1 
ATOM   240  C  CG    . PHE A 1 41  ? -19.996 -17.323 -5.005  1.00 59.20  ? 58  PHE A CG    1 
ATOM   241  C  CD1   . PHE A 1 41  ? -21.036 -17.830 -4.228  1.00 58.89  ? 58  PHE A CD1   1 
ATOM   242  C  CD2   . PHE A 1 41  ? -20.299 -16.371 -5.974  1.00 61.36  ? 58  PHE A CD2   1 
ATOM   243  C  CE1   . PHE A 1 41  ? -22.345 -17.401 -4.415  1.00 60.31  ? 58  PHE A CE1   1 
ATOM   244  C  CE2   . PHE A 1 41  ? -21.608 -15.941 -6.158  1.00 63.67  ? 58  PHE A CE2   1 
ATOM   245  C  CZ    . PHE A 1 41  ? -22.630 -16.454 -5.380  1.00 62.85  ? 58  PHE A CZ    1 
ATOM   246  N  N     . ARG A 1 42  ? -16.029 -19.461 -6.328  1.00 60.03  ? 59  ARG A N     1 
ATOM   247  C  CA    . ARG A 1 42  ? -14.617 -19.818 -6.248  1.00 61.34  ? 59  ARG A CA    1 
ATOM   248  C  C     . ARG A 1 42  ? -13.846 -18.529 -5.968  1.00 59.74  ? 59  ARG A C     1 
ATOM   249  O  O     . ARG A 1 42  ? -14.063 -17.542 -6.667  1.00 62.58  ? 59  ARG A O     1 
ATOM   250  C  CB    . ARG A 1 42  ? -14.221 -20.542 -7.533  1.00 66.64  ? 59  ARG A CB    1 
ATOM   251  C  CG    . ARG A 1 42  ? -14.997 -21.834 -7.765  1.00 68.51  ? 59  ARG A CG    1 
ATOM   252  C  CD    . ARG A 1 42  ? -14.316 -23.053 -7.181  1.00 69.55  ? 59  ARG A CD    1 
ATOM   253  N  NE    . ARG A 1 42  ? -14.315 -24.115 -8.197  1.00 74.71  ? 59  ARG A NE    1 
ATOM   254  C  CZ    . ARG A 1 42  ? -14.943 -25.298 -8.121  1.00 76.50  ? 59  ARG A CZ    1 
ATOM   255  N  NH1   . ARG A 1 42  ? -15.237 -25.845 -6.948  1.00 76.22  ? 59  ARG A NH1   1 
ATOM   256  N  NH2   . ARG A 1 42  ? -15.207 -25.978 -9.230  1.00 77.35  ? 59  ARG A NH2   1 
ATOM   257  N  N     . TYR A 1 43  ? -12.991 -18.545 -4.951  1.00 57.04  ? 60  TYR A N     1 
ATOM   258  C  CA    . TYR A 1 43  ? -12.263 -17.343 -4.598  1.00 57.53  ? 60  TYR A CA    1 
ATOM   259  C  C     . TYR A 1 43  ? -10.889 -17.697 -4.045  1.00 58.07  ? 60  TYR A C     1 
ATOM   260  O  O     . TYR A 1 43  ? -10.766 -18.559 -3.166  1.00 56.22  ? 60  TYR A O     1 
ATOM   261  C  CB    . TYR A 1 43  ? -13.045 -16.503 -3.584  1.00 57.39  ? 60  TYR A CB    1 
ATOM   262  C  CG    . TYR A 1 43  ? -12.258 -15.351 -2.970  1.00 58.91  ? 60  TYR A CG    1 
ATOM   263  C  CD1   . TYR A 1 43  ? -12.077 -14.148 -3.653  1.00 60.81  ? 60  TYR A CD1   1 
ATOM   264  C  CD2   . TYR A 1 43  ? -11.681 -15.477 -1.707  1.00 58.05  ? 60  TYR A CD2   1 
ATOM   265  C  CE1   . TYR A 1 43  ? -11.365 -13.100 -3.094  1.00 62.95  ? 60  TYR A CE1   1 
ATOM   266  C  CE2   . TYR A 1 43  ? -10.961 -14.438 -1.141  1.00 59.89  ? 60  TYR A CE2   1 
ATOM   267  C  CZ    . TYR A 1 43  ? -10.809 -13.248 -1.834  1.00 62.88  ? 60  TYR A CZ    1 
ATOM   268  O  OH    . TYR A 1 43  ? -10.117 -12.225 -1.266  1.00 66.86  ? 60  TYR A OH    1 
ATOM   269  N  N     . THR A 1 44  ? -9.878  -16.963 -4.533  1.00 59.97  ? 61  THR A N     1 
ATOM   270  C  CA    . THR A 1 44  ? -8.509  -17.109 -4.064  1.00 62.49  ? 61  THR A CA    1 
ATOM   271  C  C     . THR A 1 44  ? -8.112  -15.947 -3.152  1.00 63.45  ? 61  THR A C     1 
ATOM   272  O  O     . THR A 1 44  ? -8.092  -14.786 -3.552  1.00 64.86  ? 61  THR A O     1 
ATOM   273  C  CB    . THR A 1 44  ? -7.500  -17.250 -5.205  1.00 66.25  ? 61  THR A CB    1 
ATOM   274  O  OG1   . THR A 1 44  ? -7.871  -18.348 -6.042  1.00 66.57  ? 61  THR A OG1   1 
ATOM   275  C  CG2   . THR A 1 44  ? -6.104  -17.453 -4.665  1.00 68.29  ? 61  THR A CG2   1 
ATOM   276  N  N     . SER A 1 45  ? -7.789  -16.293 -1.910  1.00 62.56  ? 62  SER A N     1 
ATOM   277  C  CA    . SER A 1 45  ? -7.211  -15.347 -0.983  1.00 63.90  ? 62  SER A CA    1 
ATOM   278  C  C     . SER A 1 45  ? -5.701  -15.455 -1.124  1.00 66.73  ? 62  SER A C     1 
ATOM   279  O  O     . SER A 1 45  ? -5.128  -16.494 -0.842  1.00 66.65  ? 62  SER A O     1 
ATOM   280  C  CB    . SER A 1 45  ? -7.662  -15.616 0.428   1.00 63.45  ? 62  SER A CB    1 
ATOM   281  O  OG    . SER A 1 45  ? -6.889  -14.869 1.362   1.00 65.59  ? 62  SER A OG    1 
ATOM   282  N  N     . ASN A 1 46  ? -5.072  -14.386 -1.591  1.00 70.74  ? 63  ASN A N     1 
ATOM   283  C  CA    . ASN A 1 46  ? -3.627  -14.326 -1.543  1.00 74.74  ? 63  ASN A CA    1 
ATOM   284  C  C     . ASN A 1 46  ? -3.207  -13.978 -0.118  1.00 76.08  ? 63  ASN A C     1 
ATOM   285  O  O     . ASN A 1 46  ? -3.355  -12.835 0.308   1.00 79.05  ? 63  ASN A O     1 
ATOM   286  C  CB    . ASN A 1 46  ? -3.095  -13.403 -2.633  1.00 77.73  ? 63  ASN A CB    1 
ATOM   287  C  CG    . ASN A 1 46  ? -3.177  -14.074 -3.986  1.00 78.96  ? 63  ASN A CG    1 
ATOM   288  O  OD1   . ASN A 1 46  ? -2.518  -15.090 -4.209  1.00 79.57  ? 63  ASN A OD1   1 
ATOM   289  N  ND2   . ASN A 1 46  ? -3.998  -13.548 -4.879  1.00 79.37  ? 63  ASN A ND2   1 
ATOM   290  N  N     . VAL A 1 47  ? -2.715  -14.982 0.621   1.00 75.51  ? 64  VAL A N     1 
ATOM   291  C  CA    . VAL A 1 47  ? -2.292  -14.766 1.997   1.00 74.73  ? 64  VAL A CA    1 
ATOM   292  C  C     . VAL A 1 47  ? -1.076  -13.841 1.955   1.00 77.63  ? 64  VAL A C     1 
ATOM   293  O  O     . VAL A 1 47  ? -1.174  -12.676 2.330   1.00 78.70  ? 64  VAL A O     1 
ATOM   294  C  CB    . VAL A 1 47  ? -1.986  -16.073 2.764   1.00 74.57  ? 64  VAL A CB    1 
ATOM   295  C  CG1   . VAL A 1 47  ? -1.781  -15.831 4.257   1.00 73.76  ? 64  VAL A CG1   1 
ATOM   296  C  CG2   . VAL A 1 47  ? -3.052  -17.132 2.559   1.00 72.17  ? 64  VAL A CG2   1 
ATOM   297  N  N     . ASP A 1 48  ? 0.012   -14.354 1.386   1.00 79.65  ? 65  ASP A N     1 
ATOM   298  C  CA    . ASP A 1 48  ? 1.264   -13.634 1.229   1.00 82.88  ? 65  ASP A CA    1 
ATOM   299  C  C     . ASP A 1 48  ? 1.542   -13.614 -0.268  1.00 85.49  ? 65  ASP A C     1 
ATOM   300  O  O     . ASP A 1 48  ? 0.613   -13.854 -1.042  1.00 83.18  ? 65  ASP A O     1 
ATOM   301  C  CB    . ASP A 1 48  ? 2.401   -14.315 1.988   1.00 84.16  ? 65  ASP A CB    1 
ATOM   302  C  CG    . ASP A 1 48  ? 2.423   -15.815 1.820   1.00 81.70  ? 65  ASP A CG    1 
ATOM   303  N  N     . ASP A 1 49  ? 2.793   -13.355 -0.659  1.00 89.37  ? 66  ASP A N     1 
ATOM   304  C  CA    . ASP A 1 49  ? 3.178   -13.380 -2.066  1.00 91.24  ? 66  ASP A CA    1 
ATOM   305  C  C     . ASP A 1 49  ? 3.572   -14.806 -2.427  1.00 92.60  ? 66  ASP A C     1 
ATOM   306  O  O     . ASP A 1 49  ? 3.828   -15.073 -3.603  1.00 94.93  ? 66  ASP A O     1 
ATOM   307  C  CB    . ASP A 1 49  ? 4.316   -12.407 -2.335  1.00 95.49  ? 66  ASP A CB    1 
ATOM   308  N  N     . ASP A 1 50  ? 3.594   -15.690 -1.424  1.00 92.72  ? 67  ASP A N     1 
ATOM   309  C  CA    . ASP A 1 50  ? 4.040   -17.062 -1.647  1.00 94.40  ? 67  ASP A CA    1 
ATOM   310  C  C     . ASP A 1 50  ? 2.855   -18.018 -1.565  1.00 88.87  ? 67  ASP A C     1 
ATOM   311  O  O     . ASP A 1 50  ? 2.853   -19.010 -2.299  1.00 89.85  ? 67  ASP A O     1 
ATOM   312  C  CB    . ASP A 1 50  ? 5.111   -17.461 -0.636  1.00 97.67  ? 67  ASP A CB    1 
ATOM   313  C  CG    . ASP A 1 50  ? 6.144   -16.380 -0.361  1.00 102.11 ? 67  ASP A CG    1 
ATOM   314  O  OD1   . ASP A 1 50  ? 6.865   -16.000 -1.306  1.00 105.02 ? 67  ASP A OD1   1 
ATOM   315  O  OD2   . ASP A 1 50  ? 6.212   -15.925 0.809   1.00 102.65 ? 67  ASP A OD2   1 
ATOM   316  N  N     . THR A 1 51  ? 1.859   -17.711 -0.737  1.00 84.31  ? 68  THR A N     1 
ATOM   317  C  CA    . THR A 1 51  ? 0.785   -18.693 -0.527  1.00 81.49  ? 68  THR A CA    1 
ATOM   318  C  C     . THR A 1 51  ? -0.576  -18.117 -0.937  1.00 75.90  ? 68  THR A C     1 
ATOM   319  O  O     . THR A 1 51  ? -0.870  -16.962 -0.617  1.00 75.34  ? 68  THR A O     1 
ATOM   320  C  CB    . THR A 1 51  ? 0.796   -19.222 0.911   1.00 81.76  ? 68  THR A CB    1 
ATOM   321  O  OG1   . THR A 1 51  ? 2.138   -19.226 1.411   1.00 86.30  ? 68  THR A OG1   1 
ATOM   322  C  CG2   . THR A 1 51  ? 0.242   -20.627 1.028   1.00 80.93  ? 68  THR A CG2   1 
ATOM   323  N  N     . ALA A 1 52  ? -1.380  -18.924 -1.635  1.00 70.96  ? 69  ALA A N     1 
ATOM   324  C  CA    . ALA A 1 52  ? -2.715  -18.532 -2.070  1.00 65.52  ? 69  ALA A CA    1 
ATOM   325  C  C     . ALA A 1 52  ? -3.680  -19.646 -1.690  1.00 60.36  ? 69  ALA A C     1 
ATOM   326  O  O     . ALA A 1 52  ? -3.339  -20.806 -1.880  1.00 59.93  ? 69  ALA A O     1 
ATOM   327  C  CB    . ALA A 1 52  ? -2.712  -18.287 -3.550  1.00 67.41  ? 69  ALA A CB    1 
ATOM   328  N  N     . VAL A 1 53  ? -4.847  -19.298 -1.159  1.00 57.00  ? 70  VAL A N     1 
ATOM   329  C  CA    . VAL A 1 53  ? -5.756  -20.322 -0.683  1.00 54.88  ? 70  VAL A CA    1 
ATOM   330  C  C     . VAL A 1 53  ? -6.937  -20.366 -1.642  1.00 53.76  ? 70  VAL A C     1 
ATOM   331  O  O     . VAL A 1 53  ? -7.530  -19.340 -1.948  1.00 52.61  ? 70  VAL A O     1 
ATOM   332  C  CB    . VAL A 1 53  ? -6.173  -20.081 0.775   1.00 53.08  ? 70  VAL A CB    1 
ATOM   333  C  CG1   . VAL A 1 53  ? -7.479  -20.783 1.138   1.00 51.28  ? 70  VAL A CG1   1 
ATOM   334  C  CG2   . VAL A 1 53  ? -5.056  -20.477 1.732   1.00 53.53  ? 70  VAL A CG2   1 
ATOM   335  N  N     . HIS A 1 54  ? -7.267  -21.555 -2.118  1.00 54.45  ? 71  HIS A N     1 
ATOM   336  C  CA    . HIS A 1 54  ? -8.366  -21.649 -3.079  1.00 54.75  ? 71  HIS A CA    1 
ATOM   337  C  C     . HIS A 1 54  ? -9.626  -22.038 -2.308  1.00 51.04  ? 71  HIS A C     1 
ATOM   338  O  O     . HIS A 1 54  ? -9.702  -23.147 -1.783  1.00 52.65  ? 71  HIS A O     1 
ATOM   339  C  CB    . HIS A 1 54  ? -7.955  -22.542 -4.252  1.00 58.29  ? 71  HIS A CB    1 
ATOM   340  C  CG    . HIS A 1 54  ? -6.726  -22.076 -4.947  1.00 61.99  ? 71  HIS A CG    1 
ATOM   341  N  ND1   . HIS A 1 54  ? -6.744  -21.074 -5.890  1.00 63.79  ? 71  HIS A ND1   1 
ATOM   342  C  CD2   . HIS A 1 54  ? -5.454  -22.475 -4.841  1.00 64.83  ? 71  HIS A CD2   1 
ATOM   343  C  CE1   . HIS A 1 54  ? -5.508  -20.883 -6.336  1.00 67.08  ? 71  HIS A CE1   1 
ATOM   344  N  NE2   . HIS A 1 54  ? -4.709  -21.723 -5.708  1.00 67.43  ? 71  HIS A NE2   1 
ATOM   345  N  N     . PHE A 1 55  ? -10.587 -21.126 -2.236  1.00 48.21  ? 72  PHE A N     1 
ATOM   346  C  CA    . PHE A 1 55  ? -11.777 -21.393 -1.458  1.00 45.96  ? 72  PHE A CA    1 
ATOM   347  C  C     . PHE A 1 55  ? -12.947 -21.696 -2.369  1.00 45.37  ? 72  PHE A C     1 
ATOM   348  O  O     . PHE A 1 55  ? -13.206 -20.962 -3.310  1.00 46.39  ? 72  PHE A O     1 
ATOM   349  C  CB    . PHE A 1 55  ? -12.195 -20.153 -0.677  1.00 46.63  ? 72  PHE A CB    1 
ATOM   350  C  CG    . PHE A 1 55  ? -11.539 -19.977 0.657   1.00 46.74  ? 72  PHE A CG    1 
ATOM   351  C  CD1   . PHE A 1 55  ? -11.564 -20.996 1.590   1.00 46.45  ? 72  PHE A CD1   1 
ATOM   352  C  CD2   . PHE A 1 55  ? -10.944 -18.775 1.002   1.00 50.03  ? 72  PHE A CD2   1 
ATOM   353  C  CE1   . PHE A 1 55  ? -10.986 -20.826 2.836   1.00 48.34  ? 72  PHE A CE1   1 
ATOM   354  C  CE2   . PHE A 1 55  ? -10.366 -18.603 2.253   1.00 50.15  ? 72  PHE A CE2   1 
ATOM   355  C  CZ    . PHE A 1 55  ? -10.385 -19.629 3.164   1.00 48.83  ? 72  PHE A CZ    1 
ATOM   356  N  N     . ASP A 1 56  ? -13.673 -22.755 -2.059  1.00 44.07  ? 73  ASP A N     1 
ATOM   357  C  CA    . ASP A 1 56  ? -14.999 -22.882 -2.625  1.00 44.91  ? 73  ASP A CA    1 
ATOM   358  C  C     . ASP A 1 56  ? -16.009 -22.393 -1.591  1.00 43.36  ? 73  ASP A C     1 
ATOM   359  O  O     . ASP A 1 56  ? -16.342 -23.109 -0.643  1.00 41.13  ? 73  ASP A O     1 
ATOM   360  C  CB    . ASP A 1 56  ? -15.267 -24.303 -3.118  1.00 45.33  ? 73  ASP A CB    1 
ATOM   361  C  CG    . ASP A 1 56  ? -16.521 -24.418 -3.964  1.00 46.02  ? 73  ASP A CG    1 
ATOM   362  O  OD1   . ASP A 1 56  ? -16.993 -23.387 -4.484  1.00 47.51  ? 73  ASP A OD1   1 
ATOM   363  O  OD2   . ASP A 1 56  ? -17.022 -25.536 -4.106  1.00 46.88  ? 73  ASP A OD2   1 
ATOM   364  N  N     . ILE A 1 57  ? -16.523 -21.179 -1.789  1.00 43.22  ? 74  ILE A N     1 
ATOM   365  C  CA    . ILE A 1 57  ? -17.500 -20.619 -0.864  1.00 43.71  ? 74  ILE A CA    1 
ATOM   366  C  C     . ILE A 1 57  ? -18.913 -21.072 -1.220  1.00 44.42  ? 74  ILE A C     1 
ATOM   367  O  O     . ILE A 1 57  ? -19.350 -20.931 -2.359  1.00 45.59  ? 74  ILE A O     1 
ATOM   368  C  CB    . ILE A 1 57  ? -17.407 -19.089 -0.836  1.00 45.38  ? 74  ILE A CB    1 
ATOM   369  C  CG1   . ILE A 1 57  ? -16.054 -18.645 -0.285  1.00 45.77  ? 74  ILE A CG1   1 
ATOM   370  C  CG2   . ILE A 1 57  ? -18.556 -18.486 -0.041  1.00 45.28  ? 74  ILE A CG2   1 
ATOM   371  C  CD1   . ILE A 1 57  ? -15.548 -17.406 -0.949  1.00 47.31  ? 74  ILE A CD1   1 
ATOM   372  N  N     . TRP A 1 58  ? -19.632 -21.557 -0.205  1.00 44.75  ? 75  TRP A N     1 
ATOM   373  C  CA    . TRP A 1 58  ? -21.003 -22.026 -0.330  1.00 47.45  ? 75  TRP A CA    1 
ATOM   374  C  C     . TRP A 1 58  ? -21.928 -21.068 0.420   1.00 47.31  ? 75  TRP A C     1 
ATOM   375  O  O     . TRP A 1 58  ? -21.614 -20.655 1.532   1.00 45.65  ? 75  TRP A O     1 
ATOM   376  C  CB    . TRP A 1 58  ? -21.129 -23.447 0.247   1.00 48.42  ? 75  TRP A CB    1 
ATOM   377  C  CG    . TRP A 1 58  ? -20.383 -24.555 -0.463  1.00 49.69  ? 75  TRP A CG    1 
ATOM   378  C  CD1   . TRP A 1 58  ? -19.170 -24.494 -1.095  1.00 50.34  ? 75  TRP A CD1   1 
ATOM   379  C  CD2   . TRP A 1 58  ? -20.804 -25.936 -0.559  1.00 50.60  ? 75  TRP A CD2   1 
ATOM   380  N  NE1   . TRP A 1 58  ? -18.830 -25.717 -1.605  1.00 51.19  ? 75  TRP A NE1   1 
ATOM   381  C  CE2   . TRP A 1 58  ? -19.806 -26.624 -1.288  1.00 51.21  ? 75  TRP A CE2   1 
ATOM   382  C  CE3   . TRP A 1 58  ? -21.929 -26.653 -0.120  1.00 52.47  ? 75  TRP A CE3   1 
ATOM   383  C  CZ2   . TRP A 1 58  ? -19.901 -27.989 -1.570  1.00 52.04  ? 75  TRP A CZ2   1 
ATOM   384  C  CZ3   . TRP A 1 58  ? -22.022 -28.002 -0.414  1.00 54.31  ? 75  TRP A CZ3   1 
ATOM   385  C  CH2   . TRP A 1 58  ? -21.029 -28.658 -1.144  1.00 53.63  ? 75  TRP A CH2   1 
ATOM   386  N  N     . ASP A 1 59  ? -23.072 -20.741 -0.184  1.00 49.87  ? 76  ASP A N     1 
ATOM   387  C  CA    . ASP A 1 59  ? -24.073 -19.871 0.403   1.00 51.14  ? 76  ASP A CA    1 
ATOM   388  C  C     . ASP A 1 59  ? -25.429 -20.559 0.302   1.00 55.52  ? 76  ASP A C     1 
ATOM   389  O  O     . ASP A 1 59  ? -25.729 -21.188 -0.705  1.00 57.47  ? 76  ASP A O     1 
ATOM   390  C  CB    . ASP A 1 59  ? -24.040 -18.504 -0.275  1.00 53.28  ? 76  ASP A CB    1 
ATOM   391  C  CG    . ASP A 1 59  ? -25.141 -17.563 0.184   1.00 55.86  ? 76  ASP A CG    1 
ATOM   392  O  OD1   . ASP A 1 59  ? -25.550 -17.669 1.366   1.00 55.21  ? 76  ASP A OD1   1 
ATOM   393  O  OD2   . ASP A 1 59  ? -25.563 -16.698 -0.635  1.00 57.43  ? 76  ASP A OD2   1 
ATOM   394  N  N     . THR A 1 60  ? -26.248 -20.399 1.349   1.00 58.54  ? 77  THR A N     1 
ATOM   395  C  CA    . THR A 1 60  ? -27.375 -21.282 1.628   1.00 63.03  ? 77  THR A CA    1 
ATOM   396  C  C     . THR A 1 60  ? -28.701 -20.540 1.499   1.00 67.57  ? 77  THR A C     1 
ATOM   397  O  O     . THR A 1 60  ? -28.712 -19.311 1.489   1.00 65.79  ? 77  THR A O     1 
ATOM   398  C  CB    . THR A 1 60  ? -27.275 -21.872 3.044   1.00 63.16  ? 77  THR A CB    1 
ATOM   399  O  OG1   . THR A 1 60  ? -28.165 -22.982 3.194   1.00 65.67  ? 77  THR A OG1   1 
ATOM   400  N  N     . ALA A 1 61  ? -29.793 -21.331 1.446   1.00 73.71  ? 78  ALA A N     1 
ATOM   401  C  CA    . ALA A 1 61  ? -31.175 -20.878 1.291   1.00 79.57  ? 78  ALA A CA    1 
ATOM   402  C  C     . ALA A 1 61  ? -32.085 -21.262 2.471   1.00 84.23  ? 78  ALA A C     1 
ATOM   403  O  O     . ALA A 1 61  ? -33.026 -20.510 2.720   1.00 89.13  ? 78  ALA A O     1 
ATOM   404  C  CB    . ALA A 1 61  ? -31.729 -21.414 -0.007  1.00 81.69  ? 78  ALA A CB    1 
ATOM   405  N  N     . GLY A 1 62  ? -31.856 -22.409 3.163   1.00 86.70  ? 79  GLY A N     1 
ATOM   406  C  CA    . GLY A 1 62  ? -32.696 -22.863 4.276   1.00 89.84  ? 79  GLY A CA    1 
ATOM   407  C  C     . GLY A 1 62  ? -31.963 -23.739 5.305   1.00 90.17  ? 79  GLY A C     1 
ATOM   408  O  O     . GLY A 1 62  ? -30.743 -23.617 5.473   1.00 89.38  ? 79  GLY A O     1 
ATOM   409  N  N     . LEU A 1 63  ? -32.731 -24.580 6.035   1.00 91.69  ? 80  LEU A N     1 
ATOM   410  C  CA    . LEU A 1 63  ? -32.208 -25.463 7.082   1.00 89.19  ? 80  LEU A CA    1 
ATOM   411  C  C     . LEU A 1 63  ? -33.101 -26.704 7.255   1.00 91.42  ? 80  LEU A C     1 
ATOM   412  O  O     . LEU A 1 63  ? -33.506 -27.029 8.375   1.00 92.37  ? 80  LEU A O     1 
ATOM   413  C  CB    . LEU A 1 63  ? -32.101 -24.661 8.391   1.00 87.69  ? 80  LEU A CB    1 
ATOM   414  C  CG    . LEU A 1 63  ? -31.186 -25.264 9.459   1.00 84.30  ? 80  LEU A CG    1 
ATOM   415  C  CD2   . LEU A 1 63  ? -31.803 -25.214 10.849  1.00 82.90  ? 80  LEU A CD2   1 
ATOM   416  N  N     . GLU A 1 64  ? -33.364 -27.414 6.140   1.00 92.14  ? 81  GLU A N     1 
ATOM   417  C  CA    . GLU A 1 64  ? -34.215 -28.606 6.052   1.00 93.26  ? 81  GLU A CA    1 
ATOM   418  C  C     . GLU A 1 64  ? -35.448 -28.532 6.968   1.00 95.23  ? 81  GLU A C     1 
ATOM   419  O  O     . GLU A 1 64  ? -36.196 -27.545 6.836   1.00 94.06  ? 81  GLU A O     1 
ATOM   420  C  CB    . GLU A 1 64  ? -33.408 -29.880 6.335   1.00 91.62  ? 81  GLU A CB    1 
ATOM   421  C  CG    . GLU A 1 64  ? -33.869 -31.072 5.510   1.00 93.83  ? 81  GLU A CG    1 
ATOM   422  N  N     . SER A 1 68  ? -31.135 -34.875 5.902   1.00 93.46  ? 85  SER A N     1 
ATOM   423  C  CA    . SER A 1 68  ? -31.063 -33.404 6.143   1.00 90.15  ? 85  SER A CA    1 
ATOM   424  C  C     . SER A 1 68  ? -29.980 -32.778 5.253   1.00 87.12  ? 85  SER A C     1 
ATOM   425  O  O     . SER A 1 68  ? -28.840 -33.249 5.230   1.00 82.72  ? 85  SER A O     1 
ATOM   426  C  CB    . SER A 1 68  ? -30.845 -33.080 7.616   1.00 88.23  ? 85  SER A CB    1 
ATOM   427  O  OG    . SER A 1 68  ? -31.428 -31.829 7.966   1.00 87.46  ? 85  SER A OG    1 
ATOM   428  N  N     . LEU A 1 69  ? -30.344 -31.705 4.530   1.00 86.30  ? 86  LEU A N     1 
ATOM   429  C  CA    . LEU A 1 69  ? -29.445 -31.040 3.597   1.00 81.18  ? 86  LEU A CA    1 
ATOM   430  C  C     . LEU A 1 69  ? -28.375 -30.282 4.372   1.00 76.52  ? 86  LEU A C     1 
ATOM   431  O  O     . LEU A 1 69  ? -27.312 -30.005 3.812   1.00 77.04  ? 86  LEU A O     1 
ATOM   432  C  CB    . LEU A 1 69  ? -30.247 -30.069 2.726   1.00 81.29  ? 86  LEU A CB    1 
ATOM   433  N  N     . ALA A 1 70  ? -28.716 -29.863 5.589   1.00 72.83  ? 87  ALA A N     1 
ATOM   434  C  CA    . ALA A 1 70  ? -27.759 -29.177 6.428   1.00 68.23  ? 87  ALA A CA    1 
ATOM   435  C  C     . ALA A 1 70  ? -26.470 -29.997 6.527   1.00 65.20  ? 87  ALA A C     1 
ATOM   436  O  O     . ALA A 1 70  ? -25.367 -29.439 6.512   1.00 60.29  ? 87  ALA A O     1 
ATOM   437  C  CB    . ALA A 1 70  ? -28.383 -28.932 7.776   1.00 69.58  ? 87  ALA A CB    1 
ATOM   438  N  N     . SER A 1 71  ? -26.625 -31.328 6.609   1.00 65.92  ? 88  SER A N     1 
ATOM   439  C  CA    . SER A 1 71  ? -25.503 -32.213 6.878   1.00 64.35  ? 88  SER A CA    1 
ATOM   440  C  C     . SER A 1 71  ? -24.500 -32.047 5.756   1.00 61.39  ? 88  SER A C     1 
ATOM   441  O  O     . SER A 1 71  ? -23.316 -31.816 5.990   1.00 60.57  ? 88  SER A O     1 
ATOM   442  C  CB    . SER A 1 71  ? -25.944 -33.637 6.964   1.00 67.76  ? 88  SER A CB    1 
ATOM   443  O  OG    . SER A 1 71  ? -27.251 -33.702 7.493   1.00 71.47  ? 88  SER A OG    1 
ATOM   444  N  N     . MET A 1 72  ? -25.036 -32.134 4.548   1.00 60.92  ? 89  MET A N     1 
ATOM   445  C  CA    . MET A 1 72  ? -24.246 -32.014 3.336   1.00 59.71  ? 89  MET A CA    1 
ATOM   446  C  C     . MET A 1 72  ? -23.607 -30.633 3.308   1.00 54.11  ? 89  MET A C     1 
ATOM   447  O  O     . MET A 1 72  ? -22.402 -30.479 3.102   1.00 50.42  ? 89  MET A O     1 
ATOM   448  C  CB    . MET A 1 72  ? -25.130 -32.179 2.094   1.00 63.78  ? 89  MET A CB    1 
ATOM   449  C  CG    . MET A 1 72  ? -25.310 -33.607 1.643   1.00 67.04  ? 89  MET A CG    1 
ATOM   450  S  SD    . MET A 1 72  ? -26.266 -33.690 0.127   1.00 72.07  ? 89  MET A SD    1 
ATOM   451  C  CE    . MET A 1 72  ? -27.715 -32.807 0.707   1.00 75.24  ? 89  MET A CE    1 
ATOM   452  N  N     . TYR A 1 73  ? -24.436 -29.626 3.561   1.00 53.00  ? 90  TYR A N     1 
ATOM   453  C  CA    . TYR A 1 73  ? -23.961 -28.260 3.545   1.00 51.79  ? 90  TYR A CA    1 
ATOM   454  C  C     . TYR A 1 73  ? -22.677 -28.138 4.358   1.00 49.42  ? 90  TYR A C     1 
ATOM   455  O  O     . TYR A 1 73  ? -21.719 -27.537 3.876   1.00 48.62  ? 90  TYR A O     1 
ATOM   456  C  CB    . TYR A 1 73  ? -25.034 -27.319 4.086   1.00 52.31  ? 90  TYR A CB    1 
ATOM   457  C  CG    . TYR A 1 73  ? -24.700 -25.859 3.841   1.00 51.12  ? 90  TYR A CG    1 
ATOM   458  C  CD1   . TYR A 1 73  ? -24.671 -25.343 2.551   1.00 52.14  ? 90  TYR A CD1   1 
ATOM   459  C  CD2   . TYR A 1 73  ? -24.395 -24.999 4.895   1.00 50.02  ? 90  TYR A CD2   1 
ATOM   460  C  CE1   . TYR A 1 73  ? -24.350 -24.010 2.323   1.00 52.35  ? 90  TYR A CE1   1 
ATOM   461  C  CE2   . TYR A 1 73  ? -24.082 -23.664 4.677   1.00 49.29  ? 90  TYR A CE2   1 
ATOM   462  C  CZ    . TYR A 1 73  ? -24.066 -23.164 3.387   1.00 50.17  ? 90  TYR A CZ    1 
ATOM   463  O  OH    . TYR A 1 73  ? -23.775 -21.848 3.149   1.00 51.01  ? 90  TYR A OH    1 
ATOM   464  N  N     . TYR A 1 74  ? -22.647 -28.704 5.577   1.00 48.64  ? 91  TYR A N     1 
ATOM   465  C  CA    . TYR A 1 74  ? -21.466 -28.432 6.392   1.00 47.80  ? 91  TYR A CA    1 
ATOM   466  C  C     . TYR A 1 74  ? -20.450 -29.556 6.226   1.00 45.22  ? 91  TYR A C     1 
ATOM   467  O  O     . TYR A 1 74  ? -19.259 -29.351 6.466   1.00 44.44  ? 91  TYR A O     1 
ATOM   468  C  CB    . TYR A 1 74  ? -21.687 -27.816 7.780   1.00 49.63  ? 91  TYR A CB    1 
ATOM   469  C  CG    . TYR A 1 74  ? -22.368 -28.692 8.816   1.00 53.71  ? 91  TYR A CG    1 
ATOM   470  C  CD1   . TYR A 1 74  ? -21.813 -29.907 9.184   1.00 55.94  ? 91  TYR A CD1   1 
ATOM   471  C  CD2   . TYR A 1 74  ? -23.549 -28.294 9.440   1.00 56.28  ? 91  TYR A CD2   1 
ATOM   472  C  CE1   . TYR A 1 74  ? -22.435 -30.727 10.112  1.00 59.18  ? 91  TYR A CE1   1 
ATOM   473  C  CE2   . TYR A 1 74  ? -24.172 -29.096 10.392  1.00 59.37  ? 91  TYR A CE2   1 
ATOM   474  C  CZ    . TYR A 1 74  ? -23.612 -30.320 10.724  1.00 60.16  ? 91  TYR A CZ    1 
ATOM   475  O  OH    . TYR A 1 74  ? -24.185 -31.151 11.645  1.00 63.17  ? 91  TYR A OH    1 
ATOM   476  N  N     . ARG A 1 75  ? -20.903 -30.712 5.742   1.00 46.02  ? 92  ARG A N     1 
ATOM   477  C  CA    . ARG A 1 75  ? -19.983 -31.821 5.658   1.00 46.58  ? 92  ARG A CA    1 
ATOM   478  C  C     . ARG A 1 75  ? -18.666 -31.371 5.037   1.00 44.25  ? 92  ARG A C     1 
ATOM   479  O  O     . ARG A 1 75  ? -18.638 -30.711 4.003   1.00 45.05  ? 92  ARG A O     1 
ATOM   480  C  CB    . ARG A 1 75  ? -20.546 -32.999 4.870   1.00 49.77  ? 92  ARG A CB    1 
ATOM   481  C  CG    . ARG A 1 75  ? -19.600 -34.197 4.852   1.00 50.68  ? 92  ARG A CG    1 
ATOM   482  C  CD    . ARG A 1 75  ? -19.331 -34.764 6.236   1.00 49.83  ? 92  ARG A CD    1 
ATOM   483  N  NE    . ARG A 1 75  ? -18.726 -36.082 6.186   1.00 51.16  ? 92  ARG A NE    1 
ATOM   484  C  CZ    . ARG A 1 75  ? -18.518 -36.871 7.228   1.00 52.33  ? 92  ARG A CZ    1 
ATOM   485  N  NH1   . ARG A 1 75  ? -19.011 -36.570 8.418   1.00 53.18  ? 92  ARG A NH1   1 
ATOM   486  N  NH2   . ARG A 1 75  ? -17.863 -38.009 7.073   1.00 53.82  ? 92  ARG A NH2   1 
ATOM   487  N  N     . GLY A 1 76  ? -17.582 -31.710 5.730   1.00 43.30  ? 93  GLY A N     1 
ATOM   488  C  CA    . GLY A 1 76  ? -16.260 -31.700 5.149   1.00 43.51  ? 93  GLY A CA    1 
ATOM   489  C  C     . GLY A 1 76  ? -15.644 -30.312 5.078   1.00 42.35  ? 93  GLY A C     1 
ATOM   490  O  O     . GLY A 1 76  ? -14.522 -30.197 4.597   1.00 44.42  ? 93  GLY A O     1 
ATOM   491  N  N     . ALA A 1 77  ? -16.358 -29.284 5.569   1.00 41.68  ? 94  ALA A N     1 
ATOM   492  C  CA    . ALA A 1 77  ? -15.927 -27.903 5.391   1.00 41.38  ? 94  ALA A CA    1 
ATOM   493  C  C     . ALA A 1 77  ? -14.645 -27.656 6.172   1.00 41.61  ? 94  ALA A C     1 
ATOM   494  O  O     . ALA A 1 77  ? -14.485 -28.157 7.280   1.00 40.20  ? 94  ALA A O     1 
ATOM   495  C  CB    . ALA A 1 77  ? -16.998 -26.923 5.807   1.00 40.19  ? 94  ALA A CB    1 
ATOM   496  N  N     . ALA A 1 78  ? -13.732 -26.880 5.585   1.00 42.90  ? 95  ALA A N     1 
ATOM   497  C  CA    . ALA A 1 78  ? -12.488 -26.550 6.265   1.00 44.90  ? 95  ALA A CA    1 
ATOM   498  C  C     . ALA A 1 78  ? -12.689 -25.314 7.146   1.00 45.22  ? 95  ALA A C     1 
ATOM   499  O  O     . ALA A 1 78  ? -12.103 -25.245 8.227   1.00 45.14  ? 95  ALA A O     1 
ATOM   500  C  CB    . ALA A 1 78  ? -11.366 -26.387 5.272   1.00 45.77  ? 95  ALA A CB    1 
ATOM   501  N  N     . ALA A 1 79  ? -13.541 -24.369 6.693   1.00 45.77  ? 96  ALA A N     1 
ATOM   502  C  CA    . ALA A 1 79  ? -13.908 -23.195 7.477   1.00 45.48  ? 96  ALA A CA    1 
ATOM   503  C  C     . ALA A 1 79  ? -15.381 -22.820 7.315   1.00 45.10  ? 96  ALA A C     1 
ATOM   504  O  O     . ALA A 1 79  ? -16.050 -23.240 6.369   1.00 45.79  ? 96  ALA A O     1 
ATOM   505  C  CB    . ALA A 1 79  ? -13.010 -22.030 7.150   1.00 46.45  ? 96  ALA A CB    1 
ATOM   506  N  N     . ALA A 1 80  ? -15.876 -22.012 8.264   1.00 44.46  ? 97  ALA A N     1 
ATOM   507  C  CA    . ALA A 1 80  ? -17.249 -21.531 8.239   1.00 44.00  ? 97  ALA A CA    1 
ATOM   508  C  C     . ALA A 1 80  ? -17.317 -20.104 8.783   1.00 43.20  ? 97  ALA A C     1 
ATOM   509  O  O     . ALA A 1 80  ? -16.646 -19.761 9.744   1.00 42.82  ? 97  ALA A O     1 
ATOM   510  C  CB    . ALA A 1 80  ? -18.140 -22.466 9.012   1.00 41.95  ? 97  ALA A CB    1 
ATOM   511  N  N     . LEU A 1 81  ? -18.113 -19.251 8.140   1.00 42.72  ? 98  LEU A N     1 
ATOM   512  C  CA    . LEU A 1 81  ? -18.413 -17.949 8.701   1.00 42.30  ? 98  LEU A CA    1 
ATOM   513  C  C     . LEU A 1 81  ? -19.854 -17.978 9.191   1.00 43.52  ? 98  LEU A C     1 
ATOM   514  O  O     . LEU A 1 81  ? -20.780 -18.309 8.445   1.00 40.85  ? 98  LEU A O     1 
ATOM   515  C  CB    . LEU A 1 81  ? -18.221 -16.861 7.653   1.00 43.77  ? 98  LEU A CB    1 
ATOM   516  C  CG    . LEU A 1 81  ? -16.836 -16.738 7.014   1.00 45.53  ? 98  LEU A CG    1 
ATOM   517  C  CD1   . LEU A 1 81  ? -16.667 -15.354 6.399   1.00 47.45  ? 98  LEU A CD1   1 
ATOM   518  C  CD2   . LEU A 1 81  ? -15.698 -17.032 7.982   1.00 44.84  ? 98  LEU A CD2   1 
ATOM   519  N  N     . VAL A 1 82  ? -19.990 -17.676 10.485  1.00 45.05  ? 99  VAL A N     1 
ATOM   520  C  CA    . VAL A 1 82  ? -21.271 -17.627 11.154  1.00 43.88  ? 99  VAL A CA    1 
ATOM   521  C  C     . VAL A 1 82  ? -21.562 -16.157 11.366  1.00 43.41  ? 99  VAL A C     1 
ATOM   522  O  O     . VAL A 1 82  ? -21.056 -15.547 12.297  1.00 43.99  ? 99  VAL A O     1 
ATOM   523  C  CB    . VAL A 1 82  ? -21.287 -18.376 12.491  1.00 43.33  ? 99  VAL A CB    1 
ATOM   524  C  CG1   . VAL A 1 82  ? -22.701 -18.367 13.040  1.00 44.42  ? 99  VAL A CG1   1 
ATOM   525  C  CG2   . VAL A 1 82  ? -20.784 -19.805 12.350  1.00 42.92  ? 99  VAL A CG2   1 
ATOM   526  N  N     . VAL A 1 83  ? -22.365 -15.620 10.464  1.00 43.69  ? 100 VAL A N     1 
ATOM   527  C  CA    . VAL A 1 83  ? -22.682 -14.212 10.437  1.00 43.57  ? 100 VAL A CA    1 
ATOM   528  C  C     . VAL A 1 83  ? -23.897 -13.973 11.322  1.00 44.65  ? 100 VAL A C     1 
ATOM   529  O  O     . VAL A 1 83  ? -24.848 -14.765 11.338  1.00 44.38  ? 100 VAL A O     1 
ATOM   530  C  CB    . VAL A 1 83  ? -22.978 -13.760 9.004   1.00 44.79  ? 100 VAL A CB    1 
ATOM   531  C  CG1   . VAL A 1 83  ? -23.025 -12.242 8.901   1.00 46.99  ? 100 VAL A CG1   1 
ATOM   532  C  CG2   . VAL A 1 83  ? -21.965 -14.344 8.032   1.00 43.99  ? 100 VAL A CG2   1 
ATOM   533  N  N     . PHE A 1 84  ? -23.820 -12.866 12.059  1.00 43.51  ? 101 PHE A N     1 
ATOM   534  C  CA    . PHE A 1 84  ? -24.975 -12.255 12.682  1.00 44.44  ? 101 PHE A CA    1 
ATOM   535  C  C     . PHE A 1 84  ? -25.047 -10.805 12.211  1.00 44.69  ? 101 PHE A C     1 
ATOM   536  O  O     . PHE A 1 84  ? -24.149 -10.282 11.546  1.00 42.85  ? 101 PHE A O     1 
ATOM   537  C  CB    . PHE A 1 84  ? -24.942 -12.417 14.210  1.00 44.05  ? 101 PHE A CB    1 
ATOM   538  C  CG    . PHE A 1 84  ? -23.818 -11.695 14.909  1.00 42.61  ? 101 PHE A CG    1 
ATOM   539  C  CD1   . PHE A 1 84  ? -22.561 -12.270 15.028  1.00 41.53  ? 101 PHE A CD1   1 
ATOM   540  C  CD2   . PHE A 1 84  ? -24.007 -10.417 15.421  1.00 42.81  ? 101 PHE A CD2   1 
ATOM   541  C  CE1   . PHE A 1 84  ? -21.517 -11.589 15.643  1.00 40.65  ? 101 PHE A CE1   1 
ATOM   542  C  CE2   . PHE A 1 84  ? -22.968 -9.734  16.042  1.00 41.04  ? 101 PHE A CE2   1 
ATOM   543  C  CZ    . PHE A 1 84  ? -21.723 -10.322 16.146  1.00 40.03  ? 101 PHE A CZ    1 
ATOM   544  N  N     . ASP A 1 85  ? -26.154 -10.175 12.582  1.00 46.14  ? 102 ASP A N     1 
ATOM   545  C  CA    . ASP A 1 85  ? -26.382 -8.773  12.334  1.00 46.47  ? 102 ASP A CA    1 
ATOM   546  C  C     . ASP A 1 85  ? -26.070 -8.012  13.623  1.00 45.38  ? 102 ASP A C     1 
ATOM   547  O  O     . ASP A 1 85  ? -26.620 -8.308  14.681  1.00 44.28  ? 102 ASP A O     1 
ATOM   548  C  CB    . ASP A 1 85  ? -27.827 -8.598  11.887  1.00 48.98  ? 102 ASP A CB    1 
ATOM   549  C  CG    . ASP A 1 85  ? -28.177 -7.163  11.567  1.00 51.22  ? 102 ASP A CG    1 
ATOM   550  O  OD1   . ASP A 1 85  ? -27.290 -6.298  11.718  1.00 50.86  ? 102 ASP A OD1   1 
ATOM   551  O  OD2   . ASP A 1 85  ? -29.332 -6.937  11.154  1.00 53.12  ? 102 ASP A OD2   1 
ATOM   552  N  N     . ILE A 1 86  ? -25.233 -6.981  13.537  1.00 46.07  ? 103 ILE A N     1 
ATOM   553  C  CA    . ILE A 1 86  ? -24.837 -6.194  14.721  1.00 45.50  ? 103 ILE A CA    1 
ATOM   554  C  C     . ILE A 1 86  ? -26.051 -5.473  15.334  1.00 45.81  ? 103 ILE A C     1 
ATOM   555  O  O     . ILE A 1 86  ? -25.980 -5.085  16.502  1.00 42.54  ? 103 ILE A O     1 
ATOM   556  C  CB    . ILE A 1 86  ? -23.701 -5.217  14.343  1.00 46.87  ? 103 ILE A CB    1 
ATOM   557  C  CG1   . ILE A 1 86  ? -22.506 -5.344  15.285  1.00 47.91  ? 103 ILE A CG1   1 
ATOM   558  C  CG2   . ILE A 1 86  ? -24.171 -3.778  14.217  1.00 48.31  ? 103 ILE A CG2   1 
ATOM   559  C  CD1   . ILE A 1 86  ? -21.426 -6.263  14.777  1.00 47.44  ? 103 ILE A CD1   1 
ATOM   560  N  N     . VAL A 1 87  ? -27.141 -5.327  14.569  1.00 47.81  ? 104 VAL A N     1 
ATOM   561  C  CA    . VAL A 1 87  ? -28.328 -4.587  15.038  1.00 51.31  ? 104 VAL A CA    1 
ATOM   562  C  C     . VAL A 1 87  ? -29.389 -5.569  15.533  1.00 52.10  ? 104 VAL A C     1 
ATOM   563  O  O     . VAL A 1 87  ? -30.436 -5.118  16.000  1.00 53.26  ? 104 VAL A O     1 
ATOM   564  C  CB    . VAL A 1 87  ? -28.878 -3.637  13.957  1.00 54.37  ? 104 VAL A CB    1 
ATOM   565  C  CG1   . VAL A 1 87  ? -27.751 -2.959  13.188  1.00 54.04  ? 104 VAL A CG1   1 
ATOM   566  C  CG2   . VAL A 1 87  ? -29.850 -4.310  13.000  1.00 56.97  ? 104 VAL A CG2   1 
ATOM   567  N  N     . SER A 1 88  ? -29.118 -6.874  15.440  1.00 52.09  ? 105 SER A N     1 
ATOM   568  C  CA    . SER A 1 88  ? -30.043 -7.883  15.981  1.00 55.00  ? 105 SER A CA    1 
ATOM   569  C  C     . SER A 1 88  ? -29.295 -8.872  16.868  1.00 54.15  ? 105 SER A C     1 
ATOM   570  O  O     . SER A 1 88  ? -28.705 -9.814  16.339  1.00 52.47  ? 105 SER A O     1 
ATOM   571  C  CB    . SER A 1 88  ? -30.772 -8.598  14.903  1.00 56.73  ? 105 SER A CB    1 
ATOM   572  O  OG    . SER A 1 88  ? -31.708 -9.507  15.469  1.00 60.86  ? 105 SER A OG    1 
ATOM   573  N  N     . ALA A 1 89  ? -29.319 -8.643  18.182  1.00 54.91  ? 106 ALA A N     1 
ATOM   574  C  CA    . ALA A 1 89  ? -28.687 -9.562  19.131  1.00 53.81  ? 106 ALA A CA    1 
ATOM   575  C  C     . ALA A 1 89  ? -29.405 -10.909 19.094  1.00 52.45  ? 106 ALA A C     1 
ATOM   576  O  O     . ALA A 1 89  ? -28.846 -11.907 19.552  1.00 48.28  ? 106 ALA A O     1 
ATOM   577  C  CB    . ALA A 1 89  ? -28.723 -8.967  20.512  1.00 54.70  ? 106 ALA A CB    1 
ATOM   578  N  N     . ASP A 1 90  ? -30.630 -10.910 18.580  1.00 54.30  ? 107 ASP A N     1 
ATOM   579  C  CA    . ASP A 1 90  ? -31.355 -12.151 18.436  1.00 55.97  ? 107 ASP A CA    1 
ATOM   580  C  C     . ASP A 1 90  ? -30.554 -13.046 17.480  1.00 53.31  ? 107 ASP A C     1 
ATOM   581  O  O     . ASP A 1 90  ? -30.346 -14.221 17.765  1.00 52.24  ? 107 ASP A O     1 
ATOM   582  C  CB    . ASP A 1 90  ? -32.820 -11.843 18.096  1.00 61.09  ? 107 ASP A CB    1 
ATOM   583  C  CG    . ASP A 1 90  ? -33.810 -12.859 18.633  1.00 65.42  ? 107 ASP A CG    1 
ATOM   584  O  OD2   . ASP A 1 90  ? -34.076 -13.844 17.924  1.00 68.19  ? 107 ASP A OD2   1 
ATOM   585  N  N     . THR A 1 91  ? -30.018 -12.456 16.403  1.00 51.74  ? 108 THR A N     1 
ATOM   586  C  CA    . THR A 1 91  ? -29.191 -13.168 15.439  1.00 50.23  ? 108 THR A CA    1 
ATOM   587  C  C     . THR A 1 91  ? -27.825 -13.527 16.033  1.00 49.52  ? 108 THR A C     1 
ATOM   588  O  O     . THR A 1 91  ? -27.180 -14.465 15.566  1.00 49.17  ? 108 THR A O     1 
ATOM   589  C  CB    . THR A 1 91  ? -29.037 -12.385 14.123  1.00 49.09  ? 108 THR A CB    1 
ATOM   590  O  OG1   . THR A 1 91  ? -28.208 -11.245 14.326  1.00 47.81  ? 108 THR A OG1   1 
ATOM   591  C  CG2   . THR A 1 91  ? -30.356 -11.943 13.532  1.00 52.21  ? 108 THR A CG2   1 
ATOM   592  N  N     . PHE A 1 92  ? -27.366 -12.762 17.033  1.00 50.36  ? 109 PHE A N     1 
ATOM   593  C  CA    . PHE A 1 92  ? -26.124 -13.065 17.726  1.00 49.50  ? 109 PHE A CA    1 
ATOM   594  C  C     . PHE A 1 92  ? -26.241 -14.372 18.500  1.00 50.90  ? 109 PHE A C     1 
ATOM   595  O  O     . PHE A 1 92  ? -25.350 -15.213 18.404  1.00 47.69  ? 109 PHE A O     1 
ATOM   596  C  CB    . PHE A 1 92  ? -25.739 -11.961 18.713  1.00 49.63  ? 109 PHE A CB    1 
ATOM   597  C  CG    . PHE A 1 92  ? -24.470 -12.203 19.498  1.00 50.32  ? 109 PHE A CG    1 
ATOM   598  C  CD1   . PHE A 1 92  ? -23.270 -12.495 18.861  1.00 50.32  ? 109 PHE A CD1   1 
ATOM   599  C  CD2   . PHE A 1 92  ? -24.463 -12.106 20.883  1.00 53.43  ? 109 PHE A CD2   1 
ATOM   600  C  CE1   . PHE A 1 92  ? -22.102 -12.699 19.589  1.00 50.43  ? 109 PHE A CE1   1 
ATOM   601  C  CE2   . PHE A 1 92  ? -23.295 -12.306 21.607  1.00 54.06  ? 109 PHE A CE2   1 
ATOM   602  C  CZ    . PHE A 1 92  ? -22.114 -12.606 20.963  1.00 51.77  ? 109 PHE A CZ    1 
ATOM   603  N  N     . GLU A 1 93  ? -27.314 -14.516 19.296  1.00 54.32  ? 110 GLU A N     1 
ATOM   604  C  CA    . GLU A 1 93  ? -27.457 -15.673 20.176  1.00 54.99  ? 110 GLU A CA    1 
ATOM   605  C  C     . GLU A 1 93  ? -27.709 -16.923 19.327  1.00 55.13  ? 110 GLU A C     1 
ATOM   606  O  O     . GLU A 1 93  ? -27.214 -18.004 19.648  1.00 56.23  ? 110 GLU A O     1 
ATOM   607  C  CB    . GLU A 1 93  ? -28.500 -15.426 21.273  1.00 57.78  ? 110 GLU A CB    1 
ATOM   608  C  CG    . GLU A 1 93  ? -27.969 -14.630 22.459  1.00 56.94  ? 110 GLU A CG    1 
ATOM   609  N  N     . LYS A 1 94  ? -28.427 -16.731 18.213  1.00 53.51  ? 111 LYS A N     1 
ATOM   610  C  CA    . LYS A 1 94  ? -28.642 -17.763 17.211  1.00 52.00  ? 111 LYS A CA    1 
ATOM   611  C  C     . LYS A 1 94  ? -27.309 -18.244 16.617  1.00 48.25  ? 111 LYS A C     1 
ATOM   612  O  O     . LYS A 1 94  ? -27.125 -19.442 16.401  1.00 49.01  ? 111 LYS A O     1 
ATOM   613  C  CB    . LYS A 1 94  ? -29.656 -17.264 16.171  1.00 52.12  ? 111 LYS A CB    1 
ATOM   614  C  CG    . LYS A 1 94  ? -31.121 -17.444 16.561  1.00 54.11  ? 111 LYS A CG    1 
ATOM   615  N  N     . ALA A 1 95  ? -26.375 -17.317 16.360  1.00 45.05  ? 112 ALA A N     1 
ATOM   616  C  CA    . ALA A 1 95  ? -25.069 -17.650 15.801  1.00 42.91  ? 112 ALA A CA    1 
ATOM   617  C  C     . ALA A 1 95  ? -24.312 -18.613 16.730  1.00 42.83  ? 112 ALA A C     1 
ATOM   618  O  O     . ALA A 1 95  ? -23.669 -19.565 16.267  1.00 37.63  ? 112 ALA A O     1 
ATOM   619  C  CB    . ALA A 1 95  ? -24.278 -16.389 15.542  1.00 41.51  ? 112 ALA A CB    1 
ATOM   620  N  N     . ARG A 1 96  ? -24.405 -18.389 18.041  1.00 45.08  ? 113 ARG A N     1 
ATOM   621  C  CA    . ARG A 1 96  ? -23.762 -19.271 19.021  1.00 47.58  ? 113 ARG A CA    1 
ATOM   622  C  C     . ARG A 1 96  ? -24.262 -20.709 18.808  1.00 48.11  ? 113 ARG A C     1 
ATOM   623  O  O     . ARG A 1 96  ? -23.426 -21.612 18.754  1.00 44.78  ? 113 ARG A O     1 
ATOM   624  C  CB    . ARG A 1 96  ? -23.976 -18.701 20.423  1.00 50.71  ? 113 ARG A CB    1 
ATOM   625  C  CG    . ARG A 1 96  ? -23.787 -17.193 20.485  1.00 52.72  ? 113 ARG A CG    1 
ATOM   626  C  CD    . ARG A 1 96  ? -23.033 -16.759 21.727  1.00 56.82  ? 113 ARG A CD    1 
ATOM   627  N  NE    . ARG A 1 96  ? -23.921 -16.641 22.877  1.00 61.41  ? 113 ARG A NE    1 
ATOM   628  C  CZ    . ARG A 1 96  ? -24.706 -15.593 23.096  1.00 63.82  ? 113 ARG A CZ    1 
ATOM   629  N  NH1   . ARG A 1 96  ? -24.287 -14.578 23.835  1.00 63.55  ? 113 ARG A NH1   1 
ATOM   630  N  N     . TYR A 1 97  ? -25.583 -20.912 18.730  1.00 50.38  ? 114 TYR A N     1 
ATOM   631  C  CA    . TYR A 1 97  ? -26.144 -22.197 18.334  1.00 54.15  ? 114 TYR A CA    1 
ATOM   632  C  C     . TYR A 1 97  ? -25.385 -22.812 17.146  1.00 51.42  ? 114 TYR A C     1 
ATOM   633  O  O     . TYR A 1 97  ? -25.028 -23.992 17.184  1.00 52.12  ? 114 TYR A O     1 
ATOM   634  C  CB    . TYR A 1 97  ? -27.661 -22.054 18.112  1.00 60.57  ? 114 TYR A CB    1 
ATOM   635  C  CG    . TYR A 1 97  ? -28.297 -22.931 17.028  1.00 67.19  ? 114 TYR A CG    1 
ATOM   636  C  CD1   . TYR A 1 97  ? -28.490 -24.306 17.215  1.00 71.60  ? 114 TYR A CD1   1 
ATOM   637  C  CD2   . TYR A 1 97  ? -28.692 -22.387 15.802  1.00 67.18  ? 114 TYR A CD2   1 
ATOM   638  C  CE1   . TYR A 1 97  ? -29.058 -25.100 16.225  1.00 74.44  ? 114 TYR A CE1   1 
ATOM   639  C  CE2   . TYR A 1 97  ? -29.256 -23.171 14.807  1.00 69.65  ? 114 TYR A CE2   1 
ATOM   640  C  CZ    . TYR A 1 97  ? -29.427 -24.532 15.014  1.00 73.56  ? 114 TYR A CZ    1 
ATOM   641  O  OH    . TYR A 1 97  ? -29.970 -25.332 14.051  1.00 78.29  ? 114 TYR A OH    1 
ATOM   642  N  N     . TRP A 1 98  ? -25.166 -22.025 16.084  1.00 49.52  ? 115 TRP A N     1 
ATOM   643  C  CA    . TRP A 1 98  ? -24.549 -22.516 14.860  1.00 50.18  ? 115 TRP A CA    1 
ATOM   644  C  C     . TRP A 1 98  ? -23.122 -23.001 15.108  1.00 47.16  ? 115 TRP A C     1 
ATOM   645  O  O     . TRP A 1 98  ? -22.661 -23.985 14.535  1.00 48.03  ? 115 TRP A O     1 
ATOM   646  C  CB    . TRP A 1 98  ? -24.623 -21.454 13.748  1.00 51.97  ? 115 TRP A CB    1 
ATOM   647  C  CG    . TRP A 1 98  ? -25.941 -21.500 13.022  1.00 57.05  ? 115 TRP A CG    1 
ATOM   648  C  CD1   . TRP A 1 98  ? -26.948 -20.579 13.052  1.00 58.98  ? 115 TRP A CD1   1 
ATOM   649  C  CD2   . TRP A 1 98  ? -26.413 -22.595 12.204  1.00 61.50  ? 115 TRP A CD2   1 
ATOM   650  N  NE1   . TRP A 1 98  ? -28.003 -21.018 12.296  1.00 62.87  ? 115 TRP A NE1   1 
ATOM   651  C  CE2   . TRP A 1 98  ? -27.711 -22.248 11.768  1.00 63.98  ? 115 TRP A CE2   1 
ATOM   652  C  CE3   . TRP A 1 98  ? -25.868 -23.829 11.806  1.00 63.53  ? 115 TRP A CE3   1 
ATOM   653  C  CZ2   . TRP A 1 98  ? -28.463 -23.088 10.947  1.00 68.37  ? 115 TRP A CZ2   1 
ATOM   654  C  CZ3   . TRP A 1 98  ? -26.617 -24.667 11.006  1.00 66.55  ? 115 TRP A CZ3   1 
ATOM   655  C  CH2   . TRP A 1 98  ? -27.902 -24.299 10.591  1.00 69.18  ? 115 TRP A CH2   1 
ATOM   656  N  N     . ILE A 1 99  ? -22.440 -22.304 16.003  1.00 45.38  ? 116 ILE A N     1 
ATOM   657  C  CA    . ILE A 1 99  ? -21.079 -22.615 16.384  1.00 44.10  ? 116 ILE A CA    1 
ATOM   658  C  C     . ILE A 1 99  ? -21.012 -23.951 17.121  1.00 44.57  ? 116 ILE A C     1 
ATOM   659  O  O     . ILE A 1 99  ? -20.051 -24.694 16.957  1.00 42.89  ? 116 ILE A O     1 
ATOM   660  C  CB    . ILE A 1 99  ? -20.534 -21.419 17.189  1.00 44.28  ? 116 ILE A CB    1 
ATOM   661  C  CG1   . ILE A 1 99  ? -20.137 -20.296 16.219  1.00 43.32  ? 116 ILE A CG1   1 
ATOM   662  C  CG2   . ILE A 1 99  ? -19.408 -21.850 18.110  1.00 44.94  ? 116 ILE A CG2   1 
ATOM   663  C  CD1   . ILE A 1 99  ? -20.057 -18.928 16.815  1.00 43.21  ? 116 ILE A CD1   1 
ATOM   664  N  N     . ARG A 1 100 ? -22.036 -24.260 17.924  1.00 46.37  ? 117 ARG A N     1 
ATOM   665  C  CA    . ARG A 1 100 ? -22.025 -25.511 18.674  1.00 49.08  ? 117 ARG A CA    1 
ATOM   666  C  C     . ARG A 1 100 ? -22.389 -26.646 17.716  1.00 49.28  ? 117 ARG A C     1 
ATOM   667  O  O     . ARG A 1 100 ? -21.732 -27.685 17.725  1.00 49.99  ? 117 ARG A O     1 
ATOM   668  C  CB    . ARG A 1 100 ? -22.847 -25.421 19.967  1.00 50.74  ? 117 ARG A CB    1 
ATOM   669  N  N     . GLU A 1 101 ? -23.362 -26.396 16.831  1.00 47.88  ? 118 GLU A N     1 
ATOM   670  C  CA    . GLU A 1 101 ? -23.619 -27.294 15.722  1.00 48.19  ? 118 GLU A CA    1 
ATOM   671  C  C     . GLU A 1 101 ? -22.327 -27.724 15.041  1.00 45.13  ? 118 GLU A C     1 
ATOM   672  O  O     . GLU A 1 101 ? -22.013 -28.911 15.031  1.00 46.19  ? 118 GLU A O     1 
ATOM   673  C  CB    . GLU A 1 101 ? -24.558 -26.675 14.690  1.00 50.26  ? 118 GLU A CB    1 
ATOM   674  C  CG    . GLU A 1 101 ? -25.998 -27.022 14.949  1.00 55.34  ? 118 GLU A CG    1 
ATOM   675  C  CD    . GLU A 1 101 ? -26.207 -28.520 14.857  1.00 60.56  ? 118 GLU A CD    1 
ATOM   676  O  OE1   . GLU A 1 101 ? -26.137 -29.058 13.723  1.00 63.48  ? 118 GLU A OE1   1 
ATOM   677  O  OE2   . GLU A 1 101 ? -26.379 -29.151 15.927  1.00 64.76  ? 118 GLU A OE2   1 
ATOM   678  N  N     . LEU A 1 102 ? -21.589 -26.763 14.483  1.00 40.98  ? 119 LEU A N     1 
ATOM   679  C  CA    . LEU A 1 102 ? -20.317 -27.054 13.837  1.00 40.40  ? 119 LEU A CA    1 
ATOM   680  C  C     . LEU A 1 102 ? -19.326 -27.739 14.778  1.00 41.18  ? 119 LEU A C     1 
ATOM   681  O  O     . LEU A 1 102 ? -18.651 -28.691 14.396  1.00 41.19  ? 119 LEU A O     1 
ATOM   682  C  CB    . LEU A 1 102 ? -19.721 -25.756 13.288  1.00 39.40  ? 119 LEU A CB    1 
ATOM   683  C  CG    . LEU A 1 102 ? -20.295 -25.239 11.972  1.00 40.79  ? 119 LEU A CG    1 
ATOM   684  C  CD1   . LEU A 1 102 ? -19.838 -23.806 11.745  1.00 40.56  ? 119 LEU A CD1   1 
ATOM   685  C  CD2   . LEU A 1 102 ? -19.882 -26.117 10.787  1.00 41.43  ? 119 LEU A CD2   1 
ATOM   686  N  N     . GLN A 1 103 ? -19.222 -27.282 16.022  1.00 42.50  ? 120 GLN A N     1 
ATOM   687  C  CA    . GLN A 1 103 ? -18.107 -27.778 16.817  1.00 45.16  ? 120 GLN A CA    1 
ATOM   688  C  C     . GLN A 1 103 ? -18.272 -29.274 17.077  1.00 45.69  ? 120 GLN A C     1 
ATOM   689  O  O     . GLN A 1 103 ? -17.275 -30.002 17.175  1.00 44.24  ? 120 GLN A O     1 
ATOM   690  C  CB    . GLN A 1 103 ? -17.939 -26.924 18.065  1.00 47.58  ? 120 GLN A CB    1 
ATOM   691  C  CG    . GLN A 1 103 ? -17.421 -25.545 17.708  1.00 49.47  ? 120 GLN A CG    1 
ATOM   692  C  CD    . GLN A 1 103 ? -16.794 -24.879 18.899  1.00 53.06  ? 120 GLN A CD    1 
ATOM   693  O  OE1   . GLN A 1 103 ? -17.392 -24.820 19.974  1.00 56.84  ? 120 GLN A OE1   1 
ATOM   694  N  NE2   . GLN A 1 103 ? -15.566 -24.409 18.725  1.00 54.92  ? 120 GLN A NE2   1 
ATOM   695  N  N     . ALA A 1 104 ? -19.549 -29.683 17.111  1.00 45.83  ? 121 ALA A N     1 
ATOM   696  C  CA    . ALA A 1 104 ? -20.010 -31.017 17.448  1.00 48.38  ? 121 ALA A CA    1 
ATOM   697  C  C     . ALA A 1 104 ? -19.962 -31.957 16.241  1.00 48.14  ? 121 ALA A C     1 
ATOM   698  O  O     . ALA A 1 104 ? -19.468 -33.080 16.345  1.00 48.99  ? 121 ALA A O     1 
ATOM   699  C  CB    . ALA A 1 104 ? -21.424 -30.911 17.990  1.00 49.81  ? 121 ALA A CB    1 
ATOM   700  N  N     . ASN A 1 105 ? -20.508 -31.503 15.109  1.00 45.78  ? 122 ASN A N     1 
ATOM   701  C  CA    . ASN A 1 105 ? -20.780 -32.379 13.985  1.00 45.89  ? 122 ASN A CA    1 
ATOM   702  C  C     . ASN A 1 105 ? -19.699 -32.217 12.926  1.00 45.40  ? 122 ASN A C     1 
ATOM   703  O  O     . ASN A 1 105 ? -19.572 -33.025 12.018  1.00 45.09  ? 122 ASN A O     1 
ATOM   704  C  CB    . ASN A 1 105 ? -22.188 -32.129 13.458  1.00 45.82  ? 122 ASN A CB    1 
ATOM   705  C  CG    . ASN A 1 105 ? -23.228 -32.489 14.491  1.00 47.25  ? 122 ASN A CG    1 
ATOM   706  O  OD1   . ASN A 1 105 ? -23.302 -33.635 14.918  1.00 48.62  ? 122 ASN A OD1   1 
ATOM   707  N  ND2   . ASN A 1 105 ? -24.003 -31.517 14.931  1.00 47.88  ? 122 ASN A ND2   1 
ATOM   708  N  N     . SER A 1 106 ? -18.896 -31.177 13.076  1.00 46.20  ? 123 SER A N     1 
ATOM   709  C  CA    . SER A 1 106 ? -17.921 -30.849 12.065  1.00 47.39  ? 123 SER A CA    1 
ATOM   710  C  C     . SER A 1 106 ? -16.690 -30.286 12.773  1.00 48.95  ? 123 SER A C     1 
ATOM   711  O  O     . SER A 1 106 ? -16.311 -29.131 12.588  1.00 47.03  ? 123 SER A O     1 
ATOM   712  C  CB    . SER A 1 106 ? -18.557 -29.908 11.066  1.00 47.09  ? 123 SER A CB    1 
ATOM   713  O  OG    . SER A 1 106 ? -17.794 -29.840 9.875   1.00 46.77  ? 123 SER A OG    1 
ATOM   714  N  N     . PRO A 1 107 ? -16.029 -31.095 13.627  1.00 51.23  ? 124 PRO A N     1 
ATOM   715  C  CA    . PRO A 1 107 ? -15.029 -30.580 14.571  1.00 51.61  ? 124 PRO A CA    1 
ATOM   716  C  C     . PRO A 1 107 ? -13.766 -29.987 13.941  1.00 52.41  ? 124 PRO A C     1 
ATOM   717  O  O     . PRO A 1 107 ? -13.188 -29.046 14.485  1.00 51.11  ? 124 PRO A O     1 
ATOM   718  C  CB    . PRO A 1 107 ? -14.641 -31.806 15.405  1.00 52.52  ? 124 PRO A CB    1 
ATOM   719  C  CG    . PRO A 1 107 ? -15.670 -32.864 15.069  1.00 53.47  ? 124 PRO A CG    1 
ATOM   720  C  CD    . PRO A 1 107 ? -16.170 -32.556 13.682  1.00 52.82  ? 124 PRO A CD    1 
ATOM   721  N  N     . GLU A 1 108 ? -13.375 -30.520 12.775  1.00 53.15  ? 125 GLU A N     1 
ATOM   722  C  CA    . GLU A 1 108 ? -12.154 -30.098 12.101  1.00 53.32  ? 125 GLU A CA    1 
ATOM   723  C  C     . GLU A 1 108 ? -12.319 -28.743 11.397  1.00 51.02  ? 125 GLU A C     1 
ATOM   724  O  O     . GLU A 1 108 ? -11.318 -28.142 11.001  1.00 52.66  ? 125 GLU A O     1 
ATOM   725  C  CB    . GLU A 1 108 ? -11.690 -31.186 11.125  1.00 55.01  ? 125 GLU A CB    1 
ATOM   726  N  N     . THR A 1 109 ? -13.561 -28.248 11.259  1.00 47.78  ? 126 THR A N     1 
ATOM   727  C  CA    . THR A 1 109 ? -13.828 -26.978 10.601  1.00 45.68  ? 126 THR A CA    1 
ATOM   728  C  C     . THR A 1 109 ? -13.398 -25.797 11.472  1.00 45.36  ? 126 THR A C     1 
ATOM   729  O  O     . THR A 1 109 ? -13.730 -25.722 12.660  1.00 45.68  ? 126 THR A O     1 
ATOM   730  C  CB    . THR A 1 109 ? -15.323 -26.776 10.326  1.00 45.30  ? 126 THR A CB    1 
ATOM   731  O  OG1   . THR A 1 109 ? -15.871 -27.989 9.811   1.00 44.99  ? 126 THR A OG1   1 
ATOM   732  C  CG2   . THR A 1 109 ? -15.597 -25.624 9.385   1.00 44.61  ? 126 THR A CG2   1 
ATOM   733  N  N     . VAL A 1 110 ? -12.687 -24.860 10.842  1.00 43.32  ? 127 VAL A N     1 
ATOM   734  C  CA    . VAL A 1 110 ? -12.302 -23.611 11.470  1.00 42.75  ? 127 VAL A CA    1 
ATOM   735  C  C     . VAL A 1 110 ? -13.498 -22.657 11.458  1.00 42.93  ? 127 VAL A C     1 
ATOM   736  O  O     . VAL A 1 110 ? -14.105 -22.423 10.422  1.00 41.89  ? 127 VAL A O     1 
ATOM   737  C  CB    . VAL A 1 110 ? -11.066 -23.025 10.761  1.00 42.19  ? 127 VAL A CB    1 
ATOM   738  C  CG1   . VAL A 1 110 ? -10.930 -21.528 10.970  1.00 43.38  ? 127 VAL A CG1   1 
ATOM   739  C  CG2   . VAL A 1 110 ? -9.804  -23.741 11.198  1.00 42.59  ? 127 VAL A CG2   1 
ATOM   740  N  N     . VAL A 1 111 ? -13.810 -22.065 12.612  1.00 43.99  ? 128 VAL A N     1 
ATOM   741  C  CA    . VAL A 1 111 ? -14.987 -21.218 12.734  1.00 43.37  ? 128 VAL A CA    1 
ATOM   742  C  C     . VAL A 1 111 ? -14.573 -19.787 13.039  1.00 40.87  ? 128 VAL A C     1 
ATOM   743  O  O     . VAL A 1 111 ? -13.842 -19.536 13.985  1.00 40.08  ? 128 VAL A O     1 
ATOM   744  C  CB    . VAL A 1 111 ? -15.963 -21.704 13.816  1.00 46.66  ? 128 VAL A CB    1 
ATOM   745  C  CG1   . VAL A 1 111 ? -17.196 -20.809 13.855  1.00 48.37  ? 128 VAL A CG1   1 
ATOM   746  C  CG2   . VAL A 1 111 ? -16.360 -23.160 13.623  1.00 47.97  ? 128 VAL A CG2   1 
ATOM   747  N  N     . MET A 1 112 ? -15.124 -18.856 12.269  1.00 39.97  ? 129 MET A N     1 
ATOM   748  C  CA    . MET A 1 112 ? -14.993 -17.452 12.567  1.00 40.65  ? 129 MET A CA    1 
ATOM   749  C  C     . MET A 1 112 ? -16.401 -16.862 12.683  1.00 41.73  ? 129 MET A C     1 
ATOM   750  O  O     . MET A 1 112 ? -17.228 -16.971 11.766  1.00 38.79  ? 129 MET A O     1 
ATOM   751  C  CB    . MET A 1 112 ? -14.219 -16.747 11.461  1.00 41.07  ? 129 MET A CB    1 
ATOM   752  C  CG    . MET A 1 112 ? -14.672 -15.313 11.276  1.00 42.71  ? 129 MET A CG    1 
ATOM   753  S  SD    . MET A 1 112 ? -13.751 -14.349 10.053  1.00 44.51  ? 129 MET A SD    1 
ATOM   754  C  CE    . MET A 1 112 ? -12.065 -14.570 10.631  1.00 45.21  ? 129 MET A CE    1 
ATOM   755  N  N     . LEU A 1 113 ? -16.652 -16.232 13.836  1.00 42.77  ? 130 LEU A N     1 
ATOM   756  C  CA    . LEU A 1 113 ? -17.900 -15.524 14.049  1.00 42.25  ? 130 LEU A CA    1 
ATOM   757  C  C     . LEU A 1 113 ? -17.775 -14.116 13.463  1.00 42.78  ? 130 LEU A C     1 
ATOM   758  O  O     . LEU A 1 113 ? -16.779 -13.428 13.703  1.00 42.99  ? 130 LEU A O     1 
ATOM   759  C  CB    . LEU A 1 113 ? -18.236 -15.521 15.542  1.00 41.92  ? 130 LEU A CB    1 
ATOM   760  C  CG    . LEU A 1 113 ? -19.522 -14.779 15.903  1.00 42.63  ? 130 LEU A CG    1 
ATOM   761  C  CD1   . LEU A 1 113 ? -20.751 -15.617 15.591  1.00 42.73  ? 130 LEU A CD1   1 
ATOM   762  C  CD2   . LEU A 1 113 ? -19.519 -14.373 17.364  1.00 44.65  ? 130 LEU A CD2   1 
ATOM   763  N  N     . VAL A 1 114 ? -18.804 -13.699 12.701  1.00 42.80  ? 131 VAL A N     1 
ATOM   764  C  CA    . VAL A 1 114 ? -18.684 -12.583 11.772  1.00 42.89  ? 131 VAL A CA    1 
ATOM   765  C  C     . VAL A 1 114 ? -19.743 -11.541 12.091  1.00 42.22  ? 131 VAL A C     1 
ATOM   766  O  O     . VAL A 1 114 ? -20.935 -11.823 12.029  1.00 45.18  ? 131 VAL A O     1 
ATOM   767  C  CB    . VAL A 1 114 ? -18.787 -13.000 10.298  1.00 44.27  ? 131 VAL A CB    1 
ATOM   768  C  CG1   . VAL A 1 114 ? -18.638 -11.782 9.407   1.00 45.70  ? 131 VAL A CG1   1 
ATOM   769  C  CG2   . VAL A 1 114 ? -17.762 -14.061 9.912   1.00 45.56  ? 131 VAL A CG2   1 
ATOM   770  N  N     . GLY A 1 115 ? -19.274 -10.333 12.392  1.00 41.50  ? 132 GLY A N     1 
ATOM   771  C  CA    . GLY A 1 115 ? -20.122 -9.276  12.885  1.00 41.32  ? 132 GLY A CA    1 
ATOM   772  C  C     . GLY A 1 115 ? -20.400 -8.312  11.751  1.00 41.94  ? 132 GLY A C     1 
ATOM   773  O  O     . GLY A 1 115 ? -19.621 -7.401  11.486  1.00 42.38  ? 132 GLY A O     1 
ATOM   774  N  N     . ASN A 1 116 ? -21.521 -8.558  11.081  1.00 41.99  ? 133 ASN A N     1 
ATOM   775  C  CA    . ASN A 1 116 ? -21.817 -7.887  9.830   1.00 43.45  ? 133 ASN A CA    1 
ATOM   776  C  C     . ASN A 1 116 ? -22.788 -6.728  10.075  1.00 44.22  ? 133 ASN A C     1 
ATOM   777  O  O     . ASN A 1 116 ? -23.459 -6.717  11.116  1.00 41.85  ? 133 ASN A O     1 
ATOM   778  C  CB    . ASN A 1 116 ? -22.341 -8.891  8.800   1.00 42.54  ? 133 ASN A CB    1 
ATOM   779  C  CG    . ASN A 1 116 ? -22.533 -8.247  7.450   1.00 42.79  ? 133 ASN A CG    1 
ATOM   780  O  OD1   . ASN A 1 116 ? -21.583 -7.680  6.915   1.00 41.69  ? 133 ASN A OD1   1 
ATOM   781  N  ND2   . ASN A 1 116 ? -23.755 -8.266  6.944   1.00 43.10  ? 133 ASN A ND2   1 
ATOM   782  N  N     . LYS A 1 117 ? -22.886 -5.828  9.068   1.00 45.88  ? 134 LYS A N     1 
ATOM   783  C  CA    . LYS A 1 117 ? -23.604 -4.557  9.125   1.00 47.83  ? 134 LYS A CA    1 
ATOM   784  C  C     . LYS A 1 117 ? -22.876 -3.525  9.993   1.00 45.62  ? 134 LYS A C     1 
ATOM   785  O  O     . LYS A 1 117 ? -23.519 -2.650  10.546  1.00 47.46  ? 134 LYS A O     1 
ATOM   786  C  CB    . LYS A 1 117 ? -25.050 -4.680  9.643   1.00 50.74  ? 134 LYS A CB    1 
ATOM   787  C  CG    . LYS A 1 117 ? -26.125 -4.975  8.614   1.00 52.52  ? 134 LYS A CG    1 
ATOM   788  C  CD    . LYS A 1 117 ? -26.411 -6.426  8.386   1.00 51.78  ? 134 LYS A CD    1 
ATOM   789  C  CE    . LYS A 1 117 ? -27.648 -6.675  7.539   1.00 54.60  ? 134 LYS A CE    1 
ATOM   790  N  NZ    . LYS A 1 117 ? -28.935 -6.455  8.246   1.00 56.09  ? 134 LYS A NZ    1 
ATOM   791  N  N     . LYS A 1 118 ? -21.546 -3.613  10.091  1.00 43.08  ? 135 LYS A N     1 
ATOM   792  C  CA    . LYS A 1 118 ? -20.759 -2.726  10.929  1.00 45.99  ? 135 LYS A CA    1 
ATOM   793  C  C     . LYS A 1 118 ? -20.901 -1.263  10.475  1.00 50.76  ? 135 LYS A C     1 
ATOM   794  O  O     . LYS A 1 118 ? -20.540 -0.339  11.208  1.00 54.26  ? 135 LYS A O     1 
ATOM   795  C  CB    . LYS A 1 118 ? -19.324 -3.264  11.047  1.00 46.11  ? 135 LYS A CB    1 
ATOM   796  C  CG    . LYS A 1 118 ? -18.334 -2.926  9.938   1.00 49.60  ? 135 LYS A CG    1 
ATOM   797  C  CD    . LYS A 1 118 ? -16.961 -3.620  10.045  1.00 51.85  ? 135 LYS A CD    1 
ATOM   798  C  CE    . LYS A 1 118 ? -15.977 -3.060  11.056  1.00 54.22  ? 135 LYS A CE    1 
ATOM   799  N  N     . ASP A 1 119 ? -21.460 -1.044  9.278   1.00 52.99  ? 136 ASP A N     1 
ATOM   800  C  CA    . ASP A 1 119 ? -21.699 0.293   8.767   1.00 55.61  ? 136 ASP A CA    1 
ATOM   801  C  C     . ASP A 1 119 ? -22.751 0.999   9.619   1.00 57.28  ? 136 ASP A C     1 
ATOM   802  O  O     . ASP A 1 119 ? -22.799 2.226   9.634   1.00 57.67  ? 136 ASP A O     1 
ATOM   803  C  CB    . ASP A 1 119 ? -22.107 0.250   7.293   1.00 56.45  ? 136 ASP A CB    1 
ATOM   804  C  CG    . ASP A 1 119 ? -23.257 -0.710  7.042   1.00 57.65  ? 136 ASP A CG    1 
ATOM   805  O  OD1   . ASP A 1 119 ? -23.030 -1.942  7.163   1.00 58.46  ? 136 ASP A OD1   1 
ATOM   806  O  OD2   . ASP A 1 119 ? -24.377 -0.239  6.751   1.00 56.82  ? 136 ASP A OD2   1 
ATOM   807  N  N     . LEU A 1 120 ? -23.591 0.225   10.327  1.00 57.10  ? 137 LEU A N     1 
ATOM   808  C  CA    . LEU A 1 120 ? -24.647 0.795   11.155  1.00 59.59  ? 137 LEU A CA    1 
ATOM   809  C  C     . LEU A 1 120 ? -24.149 0.969   12.591  1.00 59.96  ? 137 LEU A C     1 
ATOM   810  O  O     . LEU A 1 120 ? -24.653 0.327   13.511  1.00 58.16  ? 137 LEU A O     1 
ATOM   811  C  CB    . LEU A 1 120 ? -25.895 -0.091  11.077  1.00 58.36  ? 137 LEU A CB    1 
ATOM   812  C  CG    . LEU A 1 120 ? -26.323 -0.488  9.664   1.00 58.21  ? 137 LEU A CG    1 
ATOM   813  C  CD1   . LEU A 1 120 ? -27.558 -1.363  9.709   1.00 57.93  ? 137 LEU A CD1   1 
ATOM   814  C  CD2   . LEU A 1 120 ? -26.586 0.735   8.808   1.00 60.88  ? 137 LEU A CD2   1 
ATOM   815  N  N     . GLU A 1 121 ? -23.175 1.884   12.746  1.00 62.08  ? 138 GLU A N     1 
ATOM   816  C  CA    . GLU A 1 121 ? -22.483 2.179   13.995  1.00 62.28  ? 138 GLU A CA    1 
ATOM   817  C  C     . GLU A 1 121 ? -23.492 2.454   15.104  1.00 61.35  ? 138 GLU A C     1 
ATOM   818  O  O     . GLU A 1 121 ? -23.357 1.934   16.206  1.00 61.14  ? 138 GLU A O     1 
ATOM   819  C  CB    . GLU A 1 121 ? -21.560 3.393   13.828  1.00 64.23  ? 138 GLU A CB    1 
ATOM   820  N  N     . SER A 1 122 ? -24.510 3.255   14.788  1.00 63.20  ? 139 SER A N     1 
ATOM   821  C  CA    . SER A 1 122 ? -25.356 3.845   15.813  1.00 65.19  ? 139 SER A CA    1 
ATOM   822  C  C     . SER A 1 122 ? -26.546 2.949   16.136  1.00 63.53  ? 139 SER A C     1 
ATOM   823  O  O     . SER A 1 122 ? -27.143 3.101   17.200  1.00 64.68  ? 139 SER A O     1 
ATOM   824  C  CB    . SER A 1 122 ? -25.785 5.237   15.416  1.00 69.21  ? 139 SER A CB    1 
ATOM   825  O  OG    . SER A 1 122 ? -26.480 5.218   14.185  1.00 71.43  ? 139 SER A OG    1 
ATOM   826  N  N     . GLU A 1 123 ? -26.859 1.999   15.243  1.00 62.53  ? 140 GLU A N     1 
ATOM   827  C  CA    . GLU A 1 123 ? -28.005 1.114   15.425  1.00 61.97  ? 140 GLU A CA    1 
ATOM   828  C  C     . GLU A 1 123 ? -27.582 -0.193  16.103  1.00 55.74  ? 140 GLU A C     1 
ATOM   829  O  O     . GLU A 1 123 ? -28.440 -1.016  16.447  1.00 52.98  ? 140 GLU A O     1 
ATOM   830  C  CB    . GLU A 1 123 ? -28.719 0.866   14.090  1.00 64.72  ? 140 GLU A CB    1 
ATOM   831  C  CG    . GLU A 1 123 ? -29.084 2.145   13.353  1.00 69.06  ? 140 GLU A CG    1 
ATOM   832  C  CD    . GLU A 1 123 ? -30.082 1.950   12.223  1.00 72.27  ? 140 GLU A CD    1 
ATOM   833  O  OE2   . GLU A 1 123 ? -30.413 2.947   11.537  1.00 76.10  ? 140 GLU A OE2   1 
ATOM   834  N  N     . ARG A 1 124 ? -26.264 -0.361  16.310  1.00 51.66  ? 141 ARG A N     1 
ATOM   835  C  CA    . ARG A 1 124 ? -25.707 -1.585  16.848  1.00 49.60  ? 141 ARG A CA    1 
ATOM   836  C  C     . ARG A 1 124 ? -26.408 -1.977  18.149  1.00 51.81  ? 141 ARG A C     1 
ATOM   837  O  O     . ARG A 1 124 ? -26.722 -1.111  18.964  1.00 55.13  ? 141 ARG A O     1 
ATOM   838  C  CB    . ARG A 1 124 ? -24.204 -1.376  17.068  1.00 48.07  ? 141 ARG A CB    1 
ATOM   839  C  CG    . ARG A 1 124 ? -23.516 -2.502  17.827  1.00 46.40  ? 141 ARG A CG    1 
ATOM   840  C  CD    . ARG A 1 124 ? -22.119 -2.111  18.264  1.00 46.12  ? 141 ARG A CD    1 
ATOM   841  N  NE    . ARG A 1 124 ? -21.189 -2.044  17.158  1.00 44.38  ? 141 ARG A NE    1 
ATOM   842  C  CZ    . ARG A 1 124 ? -20.379 -3.031  16.786  1.00 44.23  ? 141 ARG A CZ    1 
ATOM   843  N  NH1   . ARG A 1 124 ? -20.354 -4.179  17.455  1.00 45.07  ? 141 ARG A NH1   1 
ATOM   844  N  NH2   . ARG A 1 124 ? -19.614 -2.875  15.719  1.00 43.69  ? 141 ARG A NH2   1 
ATOM   845  N  N     . GLN A 1 125 ? -26.643 -3.284  18.338  1.00 51.03  ? 142 GLN A N     1 
ATOM   846  C  CA    . GLN A 1 125 ? -27.187 -3.811  19.584  1.00 51.40  ? 142 GLN A CA    1 
ATOM   847  C  C     . GLN A 1 125 ? -26.212 -4.783  20.234  1.00 47.55  ? 142 GLN A C     1 
ATOM   848  O  O     . GLN A 1 125 ? -26.357 -5.117  21.408  1.00 47.18  ? 142 GLN A O     1 
ATOM   849  C  CB    . GLN A 1 125 ? -28.472 -4.583  19.331  1.00 54.18  ? 142 GLN A CB    1 
ATOM   850  C  CG    . GLN A 1 125 ? -29.710 -3.716  19.166  1.00 58.76  ? 142 GLN A CG    1 
ATOM   851  C  CD    . GLN A 1 125 ? -30.908 -4.629  19.040  1.00 61.17  ? 142 GLN A CD    1 
ATOM   852  O  OE1   . GLN A 1 125 ? -30.804 -5.849  19.189  1.00 60.36  ? 142 GLN A OE1   1 
ATOM   853  N  NE2   . GLN A 1 125 ? -32.060 -4.048  18.753  1.00 64.33  ? 142 GLN A NE2   1 
ATOM   854  N  N     . VAL A 1 126 ? -25.232 -5.249  19.461  1.00 44.32  ? 143 VAL A N     1 
ATOM   855  C  CA    . VAL A 1 126 ? -24.290 -6.214  19.985  1.00 44.72  ? 143 VAL A CA    1 
ATOM   856  C  C     . VAL A 1 126 ? -22.951 -5.516  20.208  1.00 42.99  ? 143 VAL A C     1 
ATOM   857  O  O     . VAL A 1 126 ? -22.269 -5.130  19.264  1.00 41.23  ? 143 VAL A O     1 
ATOM   858  C  CB    . VAL A 1 126 ? -24.186 -7.412  19.027  1.00 45.76  ? 143 VAL A CB    1 
ATOM   859  C  CG1   . VAL A 1 126 ? -23.131 -8.417  19.469  1.00 45.95  ? 143 VAL A CG1   1 
ATOM   860  C  CG2   . VAL A 1 126 ? -25.534 -8.098  18.837  1.00 46.89  ? 143 VAL A CG2   1 
ATOM   861  N  N     . SER A 1 127 ? -22.567 -5.356  21.471  1.00 44.92  ? 144 SER A N     1 
ATOM   862  C  CA    . SER A 1 127 ? -21.224 -4.890  21.754  1.00 46.11  ? 144 SER A CA    1 
ATOM   863  C  C     . SER A 1 127 ? -20.197 -5.636  20.901  1.00 45.06  ? 144 SER A C     1 
ATOM   864  O  O     . SER A 1 127 ? -20.227 -6.860  20.815  1.00 44.05  ? 144 SER A O     1 
ATOM   865  C  CB    . SER A 1 127 ? -20.902 -5.043  23.208  1.00 48.38  ? 144 SER A CB    1 
ATOM   866  O  OG    . SER A 1 127 ? -19.523 -4.811  23.445  1.00 49.20  ? 144 SER A OG    1 
ATOM   867  N  N     . LEU A 1 128 ? -19.260 -4.896  20.305  1.00 44.66  ? 145 LEU A N     1 
ATOM   868  C  CA    . LEU A 1 128 ? -18.070 -5.504  19.729  1.00 44.48  ? 145 LEU A CA    1 
ATOM   869  C  C     . LEU A 1 128 ? -17.293 -6.306  20.780  1.00 44.25  ? 145 LEU A C     1 
ATOM   870  O  O     . LEU A 1 128 ? -16.882 -7.430  20.521  1.00 43.08  ? 145 LEU A O     1 
ATOM   871  C  CB    . LEU A 1 128 ? -17.205 -4.412  19.100  1.00 46.06  ? 145 LEU A CB    1 
ATOM   872  C  CG    . LEU A 1 128 ? -15.720 -4.728  18.956  1.00 47.40  ? 145 LEU A CG    1 
ATOM   873  C  CD1   . LEU A 1 128 ? -15.500 -5.698  17.812  1.00 46.47  ? 145 LEU A CD1   1 
ATOM   874  C  CD2   . LEU A 1 128 ? -14.947 -3.455  18.670  1.00 50.19  ? 145 LEU A CD2   1 
ATOM   875  N  N     . ALA A 1 129 ? -17.114 -5.741  21.975  1.00 45.52  ? 146 ALA A N     1 
ATOM   876  C  CA    . ALA A 1 129 ? -16.336 -6.399  23.022  1.00 45.39  ? 146 ALA A CA    1 
ATOM   877  C  C     . ALA A 1 129 ? -16.964 -7.738  23.418  1.00 43.86  ? 146 ALA A C     1 
ATOM   878  O  O     . ALA A 1 129 ? -16.282 -8.759  23.470  1.00 42.69  ? 146 ALA A O     1 
ATOM   879  C  CB    . ALA A 1 129 ? -16.180 -5.476  24.208  1.00 46.03  ? 146 ALA A CB    1 
ATOM   880  N  N     . ASP A 1 130 ? -18.274 -7.708  23.681  1.00 44.51  ? 147 ASP A N     1 
ATOM   881  C  CA    . ASP A 1 130 ? -19.042 -8.856  24.124  1.00 46.17  ? 147 ASP A CA    1 
ATOM   882  C  C     . ASP A 1 130 ? -18.925 -9.996  23.117  1.00 45.60  ? 147 ASP A C     1 
ATOM   883  O  O     . ASP A 1 130 ? -18.877 -11.177 23.486  1.00 44.45  ? 147 ASP A O     1 
ATOM   884  C  CB    . ASP A 1 130 ? -20.522 -8.474  24.220  1.00 47.46  ? 147 ASP A CB    1 
ATOM   885  C  CG    . ASP A 1 130 ? -20.924 -7.816  25.521  1.00 50.83  ? 147 ASP A CG    1 
ATOM   886  O  OD1   . ASP A 1 130 ? -20.020 -7.491  26.337  1.00 53.21  ? 147 ASP A OD1   1 
ATOM   887  O  OD2   . ASP A 1 130 ? -22.151 -7.685  25.729  1.00 52.75  ? 147 ASP A OD2   1 
ATOM   888  N  N     . ALA A 1 131 ? -18.921 -9.599  21.835  1.00 46.25  ? 148 ALA A N     1 
ATOM   889  C  CA    . ALA A 1 131 ? -18.902 -10.500 20.697  1.00 45.13  ? 148 ALA A CA    1 
ATOM   890  C  C     . ALA A 1 131 ? -17.520 -11.129 20.546  1.00 44.24  ? 148 ALA A C     1 
ATOM   891  O  O     . ALA A 1 131 ? -17.438 -12.348 20.422  1.00 43.19  ? 148 ALA A O     1 
ATOM   892  C  CB    . ALA A 1 131 ? -19.332 -9.756  19.457  1.00 45.03  ? 148 ALA A CB    1 
ATOM   893  N  N     . GLN A 1 132 ? -16.445 -10.322 20.614  1.00 44.31  ? 149 GLN A N     1 
ATOM   894  C  CA    . GLN A 1 132 ? -15.107 -10.894 20.580  1.00 46.30  ? 149 GLN A CA    1 
ATOM   895  C  C     . GLN A 1 132 ? -14.933 -11.872 21.734  1.00 47.23  ? 149 GLN A C     1 
ATOM   896  O  O     . GLN A 1 132 ? -14.387 -12.953 21.523  1.00 50.00  ? 149 GLN A O     1 
ATOM   897  C  CB    . GLN A 1 132 ? -13.997 -9.875  20.768  1.00 49.47  ? 149 GLN A CB    1 
ATOM   898  C  CG    . GLN A 1 132 ? -14.071 -8.710  19.811  1.00 52.05  ? 149 GLN A CG    1 
ATOM   899  C  CD    . GLN A 1 132 ? -12.889 -7.832  20.112  1.00 58.06  ? 149 GLN A CD    1 
ATOM   900  O  OE1   . GLN A 1 132 ? -13.034 -6.709  20.591  1.00 61.57  ? 149 GLN A OE1   1 
ATOM   901  N  NE2   . GLN A 1 132 ? -11.703 -8.382  19.903  1.00 60.67  ? 149 GLN A NE2   1 
ATOM   902  N  N     . GLN A 1 133 ? -15.409 -11.482 22.930  1.00 44.78  ? 150 GLN A N     1 
ATOM   903  C  CA    . GLN A 1 133 ? -15.312 -12.330 24.108  1.00 44.69  ? 150 GLN A CA    1 
ATOM   904  C  C     . GLN A 1 133 ? -15.996 -13.686 23.902  1.00 41.33  ? 150 GLN A C     1 
ATOM   905  O  O     . GLN A 1 133 ? -15.341 -14.705 24.069  1.00 39.35  ? 150 GLN A O     1 
ATOM   906  C  CB    . GLN A 1 133 ? -15.820 -11.608 25.357  1.00 45.93  ? 150 GLN A CB    1 
ATOM   907  C  CG    . GLN A 1 133 ? -15.535 -12.375 26.635  1.00 48.22  ? 150 GLN A CG    1 
ATOM   908  C  CD    . GLN A 1 133 ? -16.290 -11.802 27.804  1.00 51.55  ? 150 GLN A CD    1 
ATOM   909  O  OE1   . GLN A 1 133 ? -16.034 -10.677 28.223  1.00 52.61  ? 150 GLN A OE1   1 
ATOM   910  N  NE2   . GLN A 1 133 ? -17.223 -12.575 28.345  1.00 54.57  ? 150 GLN A NE2   1 
ATOM   911  N  N     . SER A 1 134 ? -17.290 -13.715 23.554  1.00 41.21  ? 151 SER A N     1 
ATOM   912  C  CA    . SER A 1 134 ? -17.963 -14.979 23.261  1.00 44.04  ? 151 SER A CA    1 
ATOM   913  C  C     . SER A 1 134 ? -17.192 -15.832 22.251  1.00 45.26  ? 151 SER A C     1 
ATOM   914  O  O     . SER A 1 134 ? -17.116 -17.042 22.414  1.00 48.80  ? 151 SER A O     1 
ATOM   915  C  CB    . SER A 1 134 ? -19.375 -14.809 22.772  1.00 43.20  ? 151 SER A CB    1 
ATOM   916  O  OG    . SER A 1 134 ? -20.059 -13.893 23.593  1.00 44.06  ? 151 SER A OG    1 
ATOM   917  N  N     . ALA A 1 135 ? -16.657 -15.220 21.192  1.00 45.48  ? 152 ALA A N     1 
ATOM   918  C  CA    . ALA A 1 135 ? -15.993 -16.003 20.157  1.00 45.30  ? 152 ALA A CA    1 
ATOM   919  C  C     . ALA A 1 135 ? -14.753 -16.713 20.715  1.00 45.98  ? 152 ALA A C     1 
ATOM   920  O  O     . ALA A 1 135 ? -14.526 -17.879 20.397  1.00 44.57  ? 152 ALA A O     1 
ATOM   921  C  CB    . ALA A 1 135 ? -15.672 -15.133 18.964  1.00 45.50  ? 152 ALA A CB    1 
ATOM   922  N  N     . GLY A 1 136 ? -13.979 -16.010 21.559  1.00 47.98  ? 153 GLY A N     1 
ATOM   923  C  CA    . GLY A 1 136 ? -12.782 -16.566 22.162  1.00 50.49  ? 153 GLY A CA    1 
ATOM   924  C  C     . GLY A 1 136 ? -13.156 -17.666 23.148  1.00 52.74  ? 153 GLY A C     1 
ATOM   925  O  O     . GLY A 1 136 ? -12.479 -18.698 23.227  1.00 52.57  ? 153 GLY A O     1 
ATOM   926  N  N     . GLU A 1 137 ? -14.263 -17.428 23.869  1.00 53.53  ? 154 GLU A N     1 
ATOM   927  C  CA    . GLU A 1 137 ? -14.801 -18.388 24.822  1.00 54.84  ? 154 GLU A CA    1 
ATOM   928  C  C     . GLU A 1 137 ? -15.151 -19.690 24.109  1.00 51.97  ? 154 GLU A C     1 
ATOM   929  O  O     . GLU A 1 137 ? -15.024 -20.762 24.683  1.00 53.32  ? 154 GLU A O     1 
ATOM   930  C  CB    . GLU A 1 137 ? -16.012 -17.818 25.564  1.00 57.36  ? 154 GLU A CB    1 
ATOM   931  C  CG    . GLU A 1 137 ? -15.653 -17.219 26.915  1.00 61.22  ? 154 GLU A CG    1 
ATOM   932  C  CD    . GLU A 1 137 ? -16.723 -16.319 27.511  1.00 63.93  ? 154 GLU A CD    1 
ATOM   933  O  OE1   . GLU A 1 137 ? -17.762 -16.113 26.845  1.00 62.97  ? 154 GLU A OE1   1 
ATOM   934  N  N     . MET A 1 138 ? -15.555 -19.577 22.846  1.00 48.83  ? 155 MET A N     1 
ATOM   935  C  CA    . MET A 1 138 ? -16.039 -20.712 22.085  1.00 48.79  ? 155 MET A CA    1 
ATOM   936  C  C     . MET A 1 138 ? -14.953 -21.235 21.151  1.00 48.17  ? 155 MET A C     1 
ATOM   937  O  O     . MET A 1 138 ? -15.211 -22.113 20.339  1.00 49.49  ? 155 MET A O     1 
ATOM   938  C  CB    . MET A 1 138 ? -17.267 -20.302 21.270  1.00 48.45  ? 155 MET A CB    1 
ATOM   939  C  CG    . MET A 1 138 ? -18.558 -20.396 22.049  1.00 51.90  ? 155 MET A CG    1 
ATOM   940  S  SD    . MET A 1 138 ? -20.033 -19.832 21.140  1.00 55.43  ? 155 MET A SD    1 
ATOM   941  C  CE    . MET A 1 138 ? -19.419 -18.335 20.359  1.00 54.89  ? 155 MET A CE    1 
ATOM   942  N  N     . GLY A 1 139 ? -13.736 -20.695 21.246  1.00 48.95  ? 156 GLY A N     1 
ATOM   943  C  CA    . GLY A 1 139 ? -12.640 -21.171 20.417  1.00 49.93  ? 156 GLY A CA    1 
ATOM   944  C  C     . GLY A 1 139 ? -12.761 -20.796 18.936  1.00 50.32  ? 156 GLY A C     1 
ATOM   945  O  O     . GLY A 1 139 ? -12.061 -21.375 18.109  1.00 54.69  ? 156 GLY A O     1 
ATOM   946  N  N     . ALA A 1 140 ? -13.606 -19.796 18.618  1.00 48.18  ? 157 ALA A N     1 
ATOM   947  C  CA    . ALA A 1 140 ? -13.828 -19.277 17.278  1.00 44.35  ? 157 ALA A CA    1 
ATOM   948  C  C     . ALA A 1 140 ? -13.101 -17.947 17.121  1.00 43.80  ? 157 ALA A C     1 
ATOM   949  O  O     . ALA A 1 140 ? -12.932 -17.199 18.080  1.00 44.66  ? 157 ALA A O     1 
ATOM   950  C  CB    . ALA A 1 140 ? -15.308 -19.061 17.057  1.00 42.26  ? 157 ALA A CB    1 
ATOM   951  N  N     . MET A 1 141 ? -12.766 -17.632 15.873  1.00 42.88  ? 158 MET A N     1 
ATOM   952  C  CA    . MET A 1 141 ? -12.280 -16.324 15.484  1.00 44.37  ? 158 MET A CA    1 
ATOM   953  C  C     . MET A 1 141 ? -13.452 -15.353 15.408  1.00 43.36  ? 158 MET A C     1 
ATOM   954  O  O     . MET A 1 141 ? -14.623 -15.737 15.304  1.00 41.46  ? 158 MET A O     1 
ATOM   955  C  CB    . MET A 1 141 ? -11.629 -16.374 14.100  1.00 46.39  ? 158 MET A CB    1 
ATOM   956  C  CG    . MET A 1 141 ? -10.515 -17.397 13.981  1.00 48.86  ? 158 MET A CG    1 
ATOM   957  S  SD    . MET A 1 141 ? -10.107 -17.737 12.253  1.00 49.52  ? 158 MET A SD    1 
ATOM   958  C  CE    . MET A 1 141 ? -8.819  -16.524 11.987  1.00 50.84  ? 158 MET A CE    1 
ATOM   959  N  N     . TYR A 1 142 ? -13.093 -14.073 15.434  1.00 44.94  ? 159 TYR A N     1 
ATOM   960  C  CA    . TYR A 1 142 ? -14.060 -13.014 15.293  1.00 43.20  ? 159 TYR A CA    1 
ATOM   961  C  C     . TYR A 1 142 ? -13.570 -12.036 14.236  1.00 43.73  ? 159 TYR A C     1 
ATOM   962  O  O     . TYR A 1 142 ? -12.370 -11.880 14.006  1.00 43.44  ? 159 TYR A O     1 
ATOM   963  C  CB    . TYR A 1 142 ? -14.293 -12.271 16.604  1.00 42.83  ? 159 TYR A CB    1 
ATOM   964  C  CG    . TYR A 1 142 ? -15.481 -11.319 16.530  1.00 39.75  ? 159 TYR A CG    1 
ATOM   965  C  CD1   . TYR A 1 142 ? -16.786 -11.807 16.409  1.00 39.19  ? 159 TYR A CD1   1 
ATOM   966  C  CD2   . TYR A 1 142 ? -15.296 -9.936  16.536  1.00 37.14  ? 159 TYR A CD2   1 
ATOM   967  C  CE1   . TYR A 1 142 ? -17.876 -10.947 16.338  1.00 37.82  ? 159 TYR A CE1   1 
ATOM   968  C  CE2   . TYR A 1 142 ? -16.378 -9.069  16.459  1.00 36.39  ? 159 TYR A CE2   1 
ATOM   969  C  CZ    . TYR A 1 142 ? -17.669 -9.572  16.365  1.00 36.11  ? 159 TYR A CZ    1 
ATOM   970  O  OH    . TYR A 1 142 ? -18.731 -8.718  16.307  1.00 33.78  ? 159 TYR A OH    1 
ATOM   971  N  N     . HIS A 1 143 ? -14.544 -11.376 13.616  1.00 41.67  ? 160 HIS A N     1 
ATOM   972  C  CA    . HIS A 1 143 ? -14.293 -10.314 12.679  1.00 42.69  ? 160 HIS A CA    1 
ATOM   973  C  C     . HIS A 1 143 ? -15.636 -9.658  12.431  1.00 41.13  ? 160 HIS A C     1 
ATOM   974  O  O     . HIS A 1 143 ? -16.668 -10.317 12.531  1.00 36.59  ? 160 HIS A O     1 
ATOM   975  C  CB    . HIS A 1 143 ? -13.729 -10.874 11.376  1.00 45.12  ? 160 HIS A CB    1 
ATOM   976  C  CG    . HIS A 1 143 ? -12.704 -9.983  10.786  1.00 49.99  ? 160 HIS A CG    1 
ATOM   977  N  ND1   . HIS A 1 143 ? -13.006 -8.801  10.143  1.00 53.01  ? 160 HIS A ND1   1 
ATOM   978  C  CD2   . HIS A 1 143 ? -11.372 -10.105 10.760  1.00 53.03  ? 160 HIS A CD2   1 
ATOM   979  C  CE1   . HIS A 1 143 ? -11.879 -8.227  9.739   1.00 56.96  ? 160 HIS A CE1   1 
ATOM   980  N  NE2   . HIS A 1 143 ? -10.873 -9.002  10.110  1.00 57.52  ? 160 HIS A NE2   1 
ATOM   981  N  N     . GLU A 1 144 ? -15.595 -8.349  12.166  1.00 44.11  ? 161 GLU A N     1 
ATOM   982  C  CA    . GLU A 1 144 ? -16.773 -7.586  11.818  1.00 43.51  ? 161 GLU A CA    1 
ATOM   983  C  C     . GLU A 1 144 ? -16.603 -7.089  10.391  1.00 44.08  ? 161 GLU A C     1 
ATOM   984  O  O     . GLU A 1 144 ? -15.485 -6.780  9.963   1.00 47.72  ? 161 GLU A O     1 
ATOM   985  C  CB    . GLU A 1 144 ? -16.946 -6.415  12.775  1.00 44.20  ? 161 GLU A CB    1 
ATOM   986  C  CG    . GLU A 1 144 ? -17.321 -6.840  14.174  1.00 43.44  ? 161 GLU A CG    1 
ATOM   987  C  CD    . GLU A 1 144 ? -17.778 -5.713  15.083  1.00 45.34  ? 161 GLU A CD    1 
ATOM   988  O  OE1   . GLU A 1 144 ? -17.646 -4.525  14.659  1.00 46.17  ? 161 GLU A OE1   1 
ATOM   989  O  OE2   . GLU A 1 144 ? -18.285 -6.016  16.206  1.00 46.29  ? 161 GLU A OE2   1 
ATOM   990  N  N     . THR A 1 145 ? -17.723 -6.982  9.675   1.00 41.05  ? 162 THR A N     1 
ATOM   991  C  CA    . THR A 1 145 ? -17.664 -6.615  8.258   1.00 40.78  ? 162 THR A CA    1 
ATOM   992  C  C     . THR A 1 145 ? -18.836 -5.727  7.869   1.00 43.57  ? 162 THR A C     1 
ATOM   993  O  O     . THR A 1 145 ? -19.838 -5.736  8.585   1.00 41.40  ? 162 THR A O     1 
ATOM   994  C  CB    . THR A 1 145 ? -17.761 -7.847  7.347   1.00 38.24  ? 162 THR A CB    1 
ATOM   995  O  OG1   . THR A 1 145 ? -19.009 -8.490  7.595   1.00 34.65  ? 162 THR A OG1   1 
ATOM   996  C  CG2   . THR A 1 145 ? -16.622 -8.826  7.531   1.00 37.05  ? 162 THR A CG2   1 
ATOM   997  N  N     . SER A 1 146 ? -18.674 -4.945  6.795   1.00 47.36  ? 163 SER A N     1 
ATOM   998  C  CA    . SER A 1 146 ? -19.777 -4.186  6.200   1.00 49.88  ? 163 SER A CA    1 
ATOM   999  C  C     . SER A 1 146 ? -19.791 -4.633  4.752   1.00 52.34  ? 163 SER A C     1 
ATOM   1000 O  O     . SER A 1 146 ? -18.804 -4.403  4.066   1.00 54.76  ? 163 SER A O     1 
ATOM   1001 C  CB    . SER A 1 146 ? -19.595 -2.716  6.279   1.00 51.66  ? 163 SER A CB    1 
ATOM   1002 O  OG    . SER A 1 146 ? -20.523 -2.067  5.427   1.00 56.08  ? 163 SER A OG    1 
ATOM   1003 N  N     . ALA A 1 147 ? -20.843 -5.306  4.316   1.00 54.29  ? 164 ALA A N     1 
ATOM   1004 C  CA    . ALA A 1 147 ? -20.864 -5.876  2.973   1.00 56.73  ? 164 ALA A CA    1 
ATOM   1005 C  C     . ALA A 1 147 ? -21.168 -4.802  1.918   1.00 60.52  ? 164 ALA A C     1 
ATOM   1006 O  O     . ALA A 1 147 ? -21.017 -5.087  0.726   1.00 59.74  ? 164 ALA A O     1 
ATOM   1007 C  CB    . ALA A 1 147 ? -21.859 -6.991  2.939   1.00 56.36  ? 164 ALA A CB    1 
ATOM   1008 N  N     . ARG A 1 148 ? -21.609 -3.616  2.349   1.00 62.56  ? 165 ARG A N     1 
ATOM   1009 C  CA    . ARG A 1 148 ? -21.924 -2.514  1.434   1.00 68.29  ? 165 ARG A CA    1 
ATOM   1010 C  C     . ARG A 1 148 ? -20.659 -1.684  1.224   1.00 69.36  ? 165 ARG A C     1 
ATOM   1011 O  O     . ARG A 1 148 ? -20.321 -1.378  0.085   1.00 73.66  ? 165 ARG A O     1 
ATOM   1012 C  CB    . ARG A 1 148 ? -23.073 -1.676  1.989   1.00 70.78  ? 165 ARG A CB    1 
ATOM   1013 C  CG    . ARG A 1 148 ? -24.434 -2.356  1.894   1.00 73.19  ? 165 ARG A CG    1 
ATOM   1014 C  CD    . ARG A 1 148 ? -25.439 -1.507  1.113   1.00 77.15  ? 165 ARG A CD    1 
ATOM   1015 N  NE    . ARG A 1 148 ? -26.839 -1.900  1.234   1.00 77.84  ? 165 ARG A NE    1 
ATOM   1016 C  CZ    . ARG A 1 148 ? -27.483 -2.064  2.388   1.00 76.85  ? 165 ARG A CZ    1 
ATOM   1017 N  N     . SER A 1 149 ? -19.968 -1.371  2.316   1.00 66.83  ? 166 SER A N     1 
ATOM   1018 C  CA    . SER A 1 149 ? -18.690 -0.661  2.224   1.00 68.91  ? 166 SER A CA    1 
ATOM   1019 C  C     . SER A 1 149 ? -17.584 -1.645  1.843   1.00 67.12  ? 166 SER A C     1 
ATOM   1020 O  O     . SER A 1 149 ? -16.512 -1.200  1.428   1.00 68.54  ? 166 SER A O     1 
ATOM   1021 C  CB    . SER A 1 149 ? -18.382 0.005   3.516   1.00 70.83  ? 166 SER A CB    1 
ATOM   1022 O  OG    . SER A 1 149 ? -16.986 0.025   3.757   1.00 76.26  ? 166 SER A OG    1 
ATOM   1023 N  N     . GLY A 1 150 ? -17.825 -2.949  2.037   1.00 62.90  ? 167 GLY A N     1 
ATOM   1024 C  CA    . GLY A 1 150 ? -16.779 -3.942  1.797   1.00 60.79  ? 167 GLY A CA    1 
ATOM   1025 C  C     . GLY A 1 150 ? -15.710 -3.831  2.869   1.00 59.96  ? 167 GLY A C     1 
ATOM   1026 O  O     . GLY A 1 150 ? -14.659 -4.462  2.742   1.00 56.77  ? 167 GLY A O     1 
ATOM   1027 N  N     . ASP A 1 151 ? -16.011 -3.045  3.907   1.00 60.97  ? 168 ASP A N     1 
ATOM   1028 C  CA    . ASP A 1 151 ? -15.075 -2.862  5.010   1.00 60.43  ? 168 ASP A CA    1 
ATOM   1029 C  C     . ASP A 1 151 ? -14.917 -4.177  5.761   1.00 55.40  ? 168 ASP A C     1 
ATOM   1030 O  O     . ASP A 1 151 ? -15.912 -4.730  6.229   1.00 50.63  ? 168 ASP A O     1 
ATOM   1031 C  CB    . ASP A 1 151 ? -15.571 -1.812  6.001   1.00 63.58  ? 168 ASP A CB    1 
ATOM   1032 C  CG    . ASP A 1 151 ? -14.529 -1.418  7.034   1.00 69.10  ? 168 ASP A CG    1 
ATOM   1033 O  OD1   . ASP A 1 151 ? -13.328 -1.489  6.712   1.00 72.51  ? 168 ASP A OD1   1 
ATOM   1034 O  OD2   . ASP A 1 151 ? -14.931 -1.045  8.147   1.00 75.04  ? 168 ASP A OD2   1 
ATOM   1035 N  N     . GLY A 1 152 ? -13.679 -4.666  5.823   1.00 53.96  ? 169 GLY A N     1 
ATOM   1036 C  CA    . GLY A 1 152 ? -13.380 -5.817  6.648   1.00 51.47  ? 169 GLY A CA    1 
ATOM   1037 C  C     . GLY A 1 152 ? -13.645 -7.139  5.927   1.00 50.05  ? 169 GLY A C     1 
ATOM   1038 O  O     . GLY A 1 152 ? -13.284 -8.207  6.429   1.00 47.89  ? 169 GLY A O     1 
ATOM   1039 N  N     . VAL A 1 153 ? -14.272 -7.073  4.746   1.00 49.85  ? 170 VAL A N     1 
ATOM   1040 C  CA    . VAL A 1 153 ? -14.700 -8.282  4.073   1.00 48.42  ? 170 VAL A CA    1 
ATOM   1041 C  C     . VAL A 1 153 ? -13.472 -9.064  3.619   1.00 49.38  ? 170 VAL A C     1 
ATOM   1042 O  O     . VAL A 1 153 ? -13.249 -10.180 4.088   1.00 49.94  ? 170 VAL A O     1 
ATOM   1043 C  CB    . VAL A 1 153 ? -15.696 -8.001  2.932   1.00 49.83  ? 170 VAL A CB    1 
ATOM   1044 C  CG1   . VAL A 1 153 ? -16.128 -9.288  2.246   1.00 49.01  ? 170 VAL A CG1   1 
ATOM   1045 C  CG2   . VAL A 1 153 ? -16.914 -7.237  3.440   1.00 50.60  ? 170 VAL A CG2   1 
ATOM   1046 N  N     . ARG A 1 154 ? -12.653 -8.469  2.747   1.00 49.64  ? 171 ARG A N     1 
ATOM   1047 C  CA    . ARG A 1 154 ? -11.456 -9.161  2.293   1.00 49.54  ? 171 ARG A CA    1 
ATOM   1048 C  C     . ARG A 1 154 ? -10.617 -9.558  3.510   1.00 49.88  ? 171 ARG A C     1 
ATOM   1049 O  O     . ARG A 1 154 ? -10.066 -10.656 3.543   1.00 49.97  ? 171 ARG A O     1 
ATOM   1050 C  CB    . ARG A 1 154 ? -10.704 -8.361  1.218   1.00 51.39  ? 171 ARG A CB    1 
ATOM   1051 N  N     . ASP A 1 155 ? -10.600 -8.716  4.544   1.00 51.01  ? 172 ASP A N     1 
ATOM   1052 C  CA    . ASP A 1 155 ? -9.761  -8.961  5.708   1.00 53.56  ? 172 ASP A CA    1 
ATOM   1053 C  C     . ASP A 1 155 ? -10.152 -10.289 6.386   1.00 52.63  ? 172 ASP A C     1 
ATOM   1054 O  O     . ASP A 1 155 ? -9.302  -11.105 6.764   1.00 51.31  ? 172 ASP A O     1 
ATOM   1055 C  CB    . ASP A 1 155 ? -9.759  -7.725  6.620   1.00 55.29  ? 172 ASP A CB    1 
ATOM   1056 C  CG    . ASP A 1 155 ? -9.592  -6.400  5.881   1.00 59.16  ? 172 ASP A CG    1 
ATOM   1057 O  OD1   . ASP A 1 155 ? -10.510 -6.011  5.093   1.00 59.59  ? 172 ASP A OD1   1 
ATOM   1058 N  N     . ALA A 1 156 ? -11.463 -10.519 6.502   1.00 52.35  ? 173 ALA A N     1 
ATOM   1059 C  CA    . ALA A 1 156 ? -12.030 -11.711 7.104   1.00 50.68  ? 173 ALA A CA    1 
ATOM   1060 C  C     . ALA A 1 156 ? -11.556 -12.976 6.380   1.00 52.52  ? 173 ALA A C     1 
ATOM   1061 O  O     . ALA A 1 156 ? -11.039 -13.916 7.000   1.00 52.98  ? 173 ALA A O     1 
ATOM   1062 C  CB    . ALA A 1 156 ? -13.539 -11.580 7.083   1.00 48.67  ? 173 ALA A CB    1 
ATOM   1063 N  N     . PHE A 1 157 ? -11.718 -13.002 5.054   1.00 51.17  ? 174 PHE A N     1 
ATOM   1064 C  CA    . PHE A 1 157 ? -11.320 -14.188 4.310   1.00 49.26  ? 174 PHE A CA    1 
ATOM   1065 C  C     . PHE A 1 157 ? -9.807  -14.403 4.361   1.00 50.65  ? 174 PHE A C     1 
ATOM   1066 O  O     . PHE A 1 157 ? -9.359  -15.541 4.482   1.00 48.98  ? 174 PHE A O     1 
ATOM   1067 C  CB    . PHE A 1 157 ? -11.889 -14.146 2.898   1.00 49.48  ? 174 PHE A CB    1 
ATOM   1068 C  CG    . PHE A 1 157 ? -13.382 -14.311 2.862   1.00 47.51  ? 174 PHE A CG    1 
ATOM   1069 C  CD1   . PHE A 1 157 ? -14.228 -13.249 3.127   1.00 48.13  ? 174 PHE A CD1   1 
ATOM   1070 C  CD2   . PHE A 1 157 ? -13.947 -15.545 2.592   1.00 47.85  ? 174 PHE A CD2   1 
ATOM   1071 C  CE1   . PHE A 1 157 ? -15.607 -13.409 3.093   1.00 47.41  ? 174 PHE A CE1   1 
ATOM   1072 C  CE2   . PHE A 1 157 ? -15.325 -15.710 2.564   1.00 46.85  ? 174 PHE A CE2   1 
ATOM   1073 C  CZ    . PHE A 1 157 ? -16.154 -14.640 2.809   1.00 45.89  ? 174 PHE A CZ    1 
ATOM   1074 N  N     . HIS A 1 158 ? -9.030  -13.314 4.301   1.00 52.93  ? 175 HIS A N     1 
ATOM   1075 C  CA    . HIS A 1 158 ? -7.587  -13.435 4.415   1.00 56.46  ? 175 HIS A CA    1 
ATOM   1076 C  C     . HIS A 1 158 ? -7.230  -14.125 5.729   1.00 56.21  ? 175 HIS A C     1 
ATOM   1077 O  O     . HIS A 1 158 ? -6.359  -14.996 5.726   1.00 58.36  ? 175 HIS A O     1 
ATOM   1078 C  CB    . HIS A 1 158 ? -6.877  -12.098 4.178   1.00 60.39  ? 175 HIS A CB    1 
ATOM   1079 C  CG    . HIS A 1 158 ? -5.381  -12.208 4.228   1.00 65.19  ? 175 HIS A CG    1 
ATOM   1080 N  ND1   . HIS A 1 158 ? -4.663  -12.377 5.399   1.00 65.93  ? 175 HIS A ND1   1 
ATOM   1081 C  CD2   . HIS A 1 158 ? -4.465  -12.158 3.242   1.00 69.50  ? 175 HIS A CD2   1 
ATOM   1082 C  CE1   . HIS A 1 158 ? -3.365  -12.440 5.124   1.00 70.02  ? 175 HIS A CE1   1 
ATOM   1083 N  NE2   . HIS A 1 158 ? -3.222  -12.303 3.821   1.00 72.35  ? 175 HIS A NE2   1 
ATOM   1084 N  N     . ALA A 1 159 ? -7.921  -13.752 6.822   1.00 54.02  ? 176 ALA A N     1 
ATOM   1085 C  CA    . ALA A 1 159 ? -7.650  -14.275 8.161   1.00 52.59  ? 176 ALA A CA    1 
ATOM   1086 C  C     . ALA A 1 159 ? -7.887  -15.788 8.238   1.00 50.02  ? 176 ALA A C     1 
ATOM   1087 O  O     . ALA A 1 159 ? -7.028  -16.547 8.691   1.00 50.33  ? 176 ALA A O     1 
ATOM   1088 C  CB    . ALA A 1 159 ? -8.474  -13.534 9.195   1.00 50.74  ? 176 ALA A CB    1 
ATOM   1089 N  N     . VAL A 1 160 ? -9.075  -16.223 7.815   1.00 46.61  ? 177 VAL A N     1 
ATOM   1090 C  CA    . VAL A 1 160 ? -9.404  -17.635 7.869   1.00 44.97  ? 177 VAL A CA    1 
ATOM   1091 C  C     . VAL A 1 160 ? -8.327  -18.414 7.106   1.00 47.64  ? 177 VAL A C     1 
ATOM   1092 O  O     . VAL A 1 160 ? -7.826  -19.426 7.592   1.00 48.27  ? 177 VAL A O     1 
ATOM   1093 C  CB    . VAL A 1 160 ? -10.828 -17.884 7.332   1.00 41.55  ? 177 VAL A CB    1 
ATOM   1094 C  CG1   . VAL A 1 160 ? -11.065 -19.337 6.987   1.00 42.00  ? 177 VAL A CG1   1 
ATOM   1095 C  CG2   . VAL A 1 160 ? -11.894 -17.395 8.296   1.00 39.85  ? 177 VAL A CG2   1 
ATOM   1096 N  N     . ALA A 1 161 ? -7.958  -17.904 5.924   1.00 49.12  ? 178 ALA A N     1 
ATOM   1097 C  CA    . ALA A 1 161 ? -6.965  -18.522 5.055   1.00 52.07  ? 178 ALA A CA    1 
ATOM   1098 C  C     . ALA A 1 161 ? -5.605  -18.597 5.747   1.00 54.49  ? 178 ALA A C     1 
ATOM   1099 O  O     . ALA A 1 161 ? -4.923  -19.621 5.674   1.00 57.98  ? 178 ALA A O     1 
ATOM   1100 C  CB    . ALA A 1 161 ? -6.883  -17.782 3.739   1.00 54.16  ? 178 ALA A CB    1 
ATOM   1101 N  N     . ALA A 1 162 ? -5.218  -17.512 6.417   1.00 53.31  ? 179 ALA A N     1 
ATOM   1102 C  CA    . ALA A 1 162 ? -4.042  -17.567 7.265   1.00 55.64  ? 179 ALA A CA    1 
ATOM   1103 C  C     . ALA A 1 162 ? -4.169  -18.764 8.206   1.00 54.02  ? 179 ALA A C     1 
ATOM   1104 O  O     . ALA A 1 162 ? -3.305  -19.632 8.242   1.00 56.03  ? 179 ALA A O     1 
ATOM   1105 C  CB    . ALA A 1 162 ? -3.892  -16.267 8.012   1.00 56.47  ? 179 ALA A CB    1 
ATOM   1106 N  N     . LYS A 1 163 ? -5.290  -18.840 8.919   1.00 53.32  ? 180 LYS A N     1 
ATOM   1107 C  CA    . LYS A 1 163 ? -5.448  -19.832 9.966   1.00 55.26  ? 180 LYS A CA    1 
ATOM   1108 C  C     . LYS A 1 163 ? -5.310  -21.236 9.384   1.00 55.16  ? 180 LYS A C     1 
ATOM   1109 O  O     . LYS A 1 163 ? -4.771  -22.121 10.040  1.00 58.08  ? 180 LYS A O     1 
ATOM   1110 C  CB    . LYS A 1 163 ? -6.788  -19.644 10.687  1.00 54.70  ? 180 LYS A CB    1 
ATOM   1111 N  N     . LEU A 1 164 ? -5.787  -21.431 8.155   1.00 53.08  ? 181 LEU A N     1 
ATOM   1112 C  CA    . LEU A 1 164 ? -5.863  -22.767 7.582   1.00 52.79  ? 181 LEU A CA    1 
ATOM   1113 C  C     . LEU A 1 164 ? -4.515  -23.224 7.034   1.00 56.07  ? 181 LEU A C     1 
ATOM   1114 O  O     . LEU A 1 164 ? -4.231  -24.421 7.076   1.00 57.16  ? 181 LEU A O     1 
ATOM   1115 C  CB    . LEU A 1 164 ? -6.939  -22.802 6.498   1.00 51.69  ? 181 LEU A CB    1 
ATOM   1116 C  CG    . LEU A 1 164 ? -8.360  -22.981 7.024   1.00 50.62  ? 181 LEU A CG    1 
ATOM   1117 C  CD1   . LEU A 1 164 ? -9.378  -22.536 5.987   1.00 50.20  ? 181 LEU A CD1   1 
ATOM   1118 C  CD2   . LEU A 1 164 ? -8.608  -24.430 7.420   1.00 50.91  ? 181 LEU A CD2   1 
ATOM   1119 N  N     . ILE A 1 165 ? -3.733  -22.279 6.482   1.00 56.90  ? 182 ILE A N     1 
ATOM   1120 C  CA    . ILE A 1 165 ? -2.316  -22.473 6.195   1.00 60.47  ? 182 ILE A CA    1 
ATOM   1121 C  C     . ILE A 1 165 ? -1.608  -22.936 7.465   1.00 62.31  ? 182 ILE A C     1 
ATOM   1122 O  O     . ILE A 1 165 ? -0.925  -23.950 7.443   1.00 64.60  ? 182 ILE A O     1 
ATOM   1123 C  CB    . ILE A 1 165 ? -1.666  -21.185 5.649   1.00 61.94  ? 182 ILE A CB    1 
ATOM   1124 C  CG1   . ILE A 1 165 ? -1.909  -21.035 4.146   1.00 62.64  ? 182 ILE A CG1   1 
ATOM   1125 N  N     . GLU A 1 166 ? -1.796  -22.196 8.565   1.00 63.70  ? 183 GLU A N     1 
ATOM   1126 C  CA    . GLU A 1 166 ? -1.201  -22.527 9.849   1.00 67.63  ? 183 GLU A CA    1 
ATOM   1127 C  C     . GLU A 1 166 ? -1.697  -23.905 10.300  1.00 67.32  ? 183 GLU A C     1 
ATOM   1128 O  O     . GLU A 1 166 ? -0.938  -24.545 11.061  1.00 70.99  ? 183 GLU A O     1 
ATOM   1129 C  CB    . GLU A 1 166 ? -1.523  -21.427 10.864  1.00 68.99  ? 183 GLU A CB    1 
ATOM   1130 C  CG    . GLU A 1 166 ? -1.335  -21.826 12.322  1.00 72.50  ? 183 GLU A CG    1 
ATOM   1131 C  CD    . GLU A 1 166 ? -1.945  -20.866 13.339  1.00 74.15  ? 183 GLU A CD    1 
ATOM   1132 O  OE1   . GLU A 1 166 ? -2.337  -19.734 12.954  1.00 73.58  ? 183 GLU A OE1   1 
ATOM   1133 O  OE2   . GLU A 1 166 ? -2.078  -21.271 14.525  1.00 75.92  ? 183 GLU A OE2   1 
HETATM 1134 MG MG    . MG  B 2 .   ? -29.004 -15.197 1.758   1.00 52.73  ? 201 MG  A MG    1 
HETATM 1135 P  PB    . GDP C 3 .   ? -28.795 -13.219 3.985   1.00 51.42  ? 202 GDP A PB    1 
HETATM 1136 O  O1B   . GDP C 3 .   ? -28.009 -13.841 2.850   1.00 52.79  ? 202 GDP A O1B   1 
HETATM 1137 O  O2B   . GDP C 3 .   ? -28.159 -13.431 5.322   1.00 51.22  ? 202 GDP A O2B   1 
HETATM 1138 O  O3B   . GDP C 3 .   ? -30.263 -13.594 3.978   1.00 51.17  ? 202 GDP A O3B   1 
HETATM 1139 O  O3A   . GDP C 3 .   ? -28.770 -11.637 3.720   1.00 53.98  ? 202 GDP A O3A   1 
HETATM 1140 P  PA    . GDP C 3 .   ? -28.728 -10.804 2.343   1.00 58.94  ? 202 GDP A PA    1 
HETATM 1141 O  O1A   . GDP C 3 .   ? -29.907 -11.182 1.504   1.00 58.48  ? 202 GDP A O1A   1 
HETATM 1142 O  O2A   . GDP C 3 .   ? -27.354 -10.921 1.764   1.00 55.70  ? 202 GDP A O2A   1 
HETATM 1143 O  "O5'" . GDP C 3 .   ? -28.942 -9.304  2.869   1.00 60.92  ? 202 GDP A "O5'" 1 
HETATM 1144 C  "C5'" . GDP C 3 .   ? -30.039 -9.036  3.795   1.00 60.52  ? 202 GDP A "C5'" 1 
HETATM 1145 C  "C4'" . GDP C 3 .   ? -30.350 -7.560  3.877   1.00 57.09  ? 202 GDP A "C4'" 1 
HETATM 1146 O  "O4'" . GDP C 3 .   ? -29.309 -6.904  4.648   1.00 54.48  ? 202 GDP A "O4'" 1 
HETATM 1147 C  "C3'" . GDP C 3 .   ? -30.426 -6.806  2.541   1.00 55.11  ? 202 GDP A "C3'" 1 
HETATM 1148 O  "O3'" . GDP C 3 .   ? -31.454 -5.824  2.587   1.00 57.28  ? 202 GDP A "O3'" 1 
HETATM 1149 C  "C2'" . GDP C 3 .   ? -29.010 -6.236  2.415   1.00 52.59  ? 202 GDP A "C2'" 1 
HETATM 1150 O  "O2'" . GDP C 3 .   ? -28.840 -5.050  1.673   1.00 52.09  ? 202 GDP A "O2'" 1 
HETATM 1151 C  "C1'" . GDP C 3 .   ? -28.700 -5.910  3.867   1.00 51.91  ? 202 GDP A "C1'" 1 
HETATM 1152 N  N9    . GDP C 3 .   ? -27.274 -5.905  4.137   1.00 52.57  ? 202 GDP A N9    1 
HETATM 1153 C  C8    . GDP C 3 .   ? -26.362 -6.894  3.857   1.00 54.20  ? 202 GDP A C8    1 
HETATM 1154 N  N7    . GDP C 3 .   ? -25.135 -6.585  4.206   1.00 53.41  ? 202 GDP A N7    1 
HETATM 1155 C  C5    . GDP C 3 .   ? -25.250 -5.317  4.760   1.00 51.63  ? 202 GDP A C5    1 
HETATM 1156 C  C6    . GDP C 3 .   ? -24.268 -4.462  5.328   1.00 50.27  ? 202 GDP A C6    1 
HETATM 1157 O  O6    . GDP C 3 .   ? -23.051 -4.647  5.456   1.00 49.61  ? 202 GDP A O6    1 
HETATM 1158 N  N1    . GDP C 3 .   ? -24.829 -3.261  5.758   1.00 51.29  ? 202 GDP A N1    1 
HETATM 1159 C  C2    . GDP C 3 .   ? -26.162 -2.912  5.675   1.00 53.26  ? 202 GDP A C2    1 
HETATM 1160 N  N2    . GDP C 3 .   ? -26.532 -1.716  6.164   1.00 55.00  ? 202 GDP A N2    1 
HETATM 1161 N  N3    . GDP C 3 .   ? -27.090 -3.727  5.172   1.00 50.28  ? 202 GDP A N3    1 
HETATM 1162 C  C4    . GDP C 3 .   ? -26.561 -4.883  4.703   1.00 51.27  ? 202 GDP A C4    1 
HETATM 1163 O  O     . HOH D 4 .   ? -13.767 -27.219 16.285  1.00 54.55  ? 301 HOH A O     1 
HETATM 1164 O  O     . HOH D 4 .   ? -11.611 -15.101 18.985  1.00 48.90  ? 302 HOH A O     1 
HETATM 1165 O  O     . HOH D 4 .   ? -14.060 -27.559 -5.314  1.00 56.39  ? 303 HOH A O     1 
HETATM 1166 O  O     . HOH D 4 .   ? -30.057 -13.779 0.659   1.00 57.44  ? 304 HOH A O     1 
HETATM 1167 O  O     . HOH D 4 .   ? -31.208 -8.792  11.676  1.00 43.00  ? 305 HOH A O     1 
HETATM 1168 O  O     . HOH D 4 .   ? -14.662 -8.352  28.354  1.00 49.68  ? 306 HOH A O     1 
HETATM 1169 O  O     . HOH D 4 .   ? -9.532  -30.032 0.612   1.00 43.07  ? 307 HOH A O     1 
HETATM 1170 O  O     . HOH D 4 .   ? -24.356 -7.939  24.017  1.00 53.22  ? 308 HOH A O     1 
HETATM 1171 O  O     . HOH D 4 .   ? -16.385 -18.175 -8.811  1.00 57.28  ? 309 HOH A O     1 
HETATM 1172 O  O     . HOH D 4 .   ? -15.834 -26.893 14.242  1.00 38.39  ? 310 HOH A O     1 
HETATM 1173 O  O     . HOH D 4 .   ? -31.229 -0.903  16.925  1.00 43.09  ? 311 HOH A O     1 
HETATM 1174 O  O     . HOH D 4 .   ? -30.220 -23.069 -4.770  1.00 54.81  ? 312 HOH A O     1 
HETATM 1175 O  O     . HOH D 4 .   ? -13.265 -7.042  13.401  1.00 39.58  ? 313 HOH A O     1 
HETATM 1176 O  O     . HOH D 4 .   ? -25.682 -31.114 18.023  1.00 45.95  ? 314 HOH A O     1 
HETATM 1177 O  O     . HOH D 4 .   ? -33.322 -5.528  15.451  1.00 44.46  ? 315 HOH A O     1 
HETATM 1178 O  O     . HOH D 4 .   ? -19.068 -30.930 0.001   0.50 34.01  ? 316 HOH A O     1 
HETATM 1179 O  O     . HOH D 4 .   ? -10.841 -27.119 14.822  1.00 58.09  ? 317 HOH A O     1 
HETATM 1180 O  O     . HOH D 4 .   ? -13.700 -29.535 17.470  1.00 43.24  ? 318 HOH A O     1 
HETATM 1181 O  O     . HOH D 4 .   ? -28.243 -20.829 7.692   1.00 48.67  ? 319 HOH A O     1 
HETATM 1182 O  O     . HOH D 4 .   ? -13.174 -8.365  23.833  1.00 56.13  ? 320 HOH A O     1 
HETATM 1183 O  O     . HOH D 4 .   ? -20.406 -28.623 20.549  1.00 43.72  ? 321 HOH A O     1 
HETATM 1184 O  O     . HOH D 4 .   ? -12.364 -2.089  2.726   1.00 67.53  ? 322 HOH A O     1 
HETATM 1185 O  O     . HOH D 4 .   ? -21.771 -33.431 8.425   1.00 51.09  ? 323 HOH A O     1 
HETATM 1186 O  O     . HOH D 4 .   ? -30.434 -16.298 2.069   1.00 83.65  ? 324 HOH A O     1 
HETATM 1187 O  O     . HOH D 4 .   ? -5.693  -19.786 13.425  1.00 55.54  ? 325 HOH A O     1 
HETATM 1188 O  O     . HOH D 4 .   ? -24.049 5.940   11.901  1.00 51.81  ? 326 HOH A O     1 
HETATM 1189 O  O     . HOH D 4 .   ? -9.608  -18.883 17.584  1.00 48.52  ? 327 HOH A O     1 
HETATM 1190 O  O     . HOH D 4 .   ? -4.039  -27.840 6.049   1.00 50.65  ? 328 HOH A O     1 
HETATM 1191 O  O     . HOH D 4 .   ? -30.414 -1.652  1.719   1.00 62.21  ? 329 HOH A O     1 
HETATM 1192 O  O     . HOH D 4 .   ? 3.490   -22.200 -0.509  1.00 56.55  ? 330 HOH A O     1 
HETATM 1193 O  O     . HOH D 4 .   ? -31.821 -21.098 8.159   1.00 56.73  ? 331 HOH A O     1 
HETATM 1194 O  O     . HOH D 4 .   ? -31.461 -21.677 16.496  1.00 51.18  ? 332 HOH A O     1 
HETATM 1195 O  O     . HOH D 4 .   ? -10.043 -3.370  -0.300  1.00 50.40  ? 333 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     . THR A 1   ? 1.2352 1.0334 0.8405 0.1491  0.3246  0.0965  18  THR A N     
2    C  CA    . THR A 1   ? 1.1795 1.0520 0.8362 0.1175  0.3160  0.0905  18  THR A CA    
3    C  C     . THR A 1   ? 1.1629 1.0262 0.7850 0.0807  0.2673  0.0876  18  THR A C     
4    O  O     . THR A 1   ? 1.2109 1.0319 0.7852 0.0288  0.2414  0.1250  18  THR A O     
5    C  CB    . THR A 1   ? 1.1877 1.0504 0.8564 0.0993  0.3345  0.0888  18  THR A CB    
6    O  OG1   . THR A 1   ? 1.1710 1.0383 0.8262 0.1090  0.2878  0.0698  18  THR A OG1   
7    C  CG2   . THR A 1   ? 1.2519 1.0416 0.8428 0.1129  0.3686  0.1119  18  THR A CG2   
8    N  N     . ARG A 2   ? 1.1004 1.0089 0.7899 0.0782  0.2510  0.0463  19  ARG A N     
9    C  CA    . ARG A 2   ? 1.0646 0.9096 0.7461 0.0961  0.2127  0.0261  19  ARG A CA    
10   C  C     . ARG A 2   ? 1.0334 0.8029 0.7330 0.0779  0.2125  0.0059  19  ARG A C     
11   O  O     . ARG A 2   ? 1.0334 0.8164 0.8237 0.0905  0.2566  0.0353  19  ARG A O     
12   C  CB    . ARG A 2   ? 1.0316 0.9320 0.7643 0.1141  0.1925  0.0137  19  ARG A CB    
13   C  CG    . ARG A 2   ? 1.0165 0.8819 0.7389 0.1202  0.1662  0.0006  19  ARG A CG    
14   C  CD    . ARG A 2   ? 1.0332 0.8344 0.7566 0.1486  0.1752  -0.0053 19  ARG A CD    
15   N  NE    . ARG A 2   ? 1.0157 0.7974 0.7526 0.1233  0.1572  0.0005  19  ARG A NE    
16   C  CZ    . ARG A 2   ? 1.0141 0.8305 0.8148 0.1273  0.1442  -0.0156 19  ARG A CZ    
17   N  NH1   . ARG A 2   ? 1.0078 0.8697 0.9000 0.1609  0.1446  -0.0268 19  ARG A NH1   
18   N  NH2   . ARG A 2   ? 1.0211 0.8154 0.7939 0.1171  0.1497  -0.0440 19  ARG A NH2   
19   N  N     . LYS A 3   ? 1.0016 0.7034 0.6687 0.0977  0.1890  -0.0199 20  LYS A N     
20   C  CA    . LYS A 3   ? 0.9578 0.6860 0.6325 0.0591  0.1538  -0.0264 20  LYS A CA    
21   C  C     . LYS A 3   ? 0.8999 0.6348 0.6382 0.0487  0.1494  -0.0178 20  LYS A C     
22   O  O     . LYS A 3   ? 0.8940 0.6327 0.6466 0.0626  0.1591  -0.0214 20  LYS A O     
23   C  CB    . LYS A 3   ? 1.0196 0.6859 0.6046 0.0598  0.1090  -0.0271 20  LYS A CB    
24   N  N     . PHE A 4   ? 0.8368 0.6170 0.5654 0.0237  0.1463  -0.0106 21  PHE A N     
25   C  CA    . PHE A 4   ? 0.8015 0.5563 0.4891 0.0374  0.1072  -0.0263 21  PHE A CA    
26   C  C     . PHE A 4   ? 0.8303 0.4854 0.4381 0.0321  0.0684  -0.0658 21  PHE A C     
27   O  O     . PHE A 4   ? 0.8892 0.4741 0.4604 0.0123  0.0673  -0.0643 21  PHE A O     
28   C  CB    . PHE A 4   ? 0.7417 0.6037 0.5085 0.0479  0.1133  0.0012  21  PHE A CB    
29   C  CG    . PHE A 4   ? 0.7611 0.6825 0.5676 0.0907  0.1306  0.0240  21  PHE A CG    
30   C  CD1   . PHE A 4   ? 0.7827 0.7482 0.6358 0.0905  0.1411  0.0430  21  PHE A CD1   
31   C  CD2   . PHE A 4   ? 0.7319 0.7081 0.5970 0.1094  0.1089  0.0195  21  PHE A CD2   
32   C  CE1   . PHE A 4   ? 0.7918 0.8082 0.7068 0.0969  0.1223  0.0513  21  PHE A CE1   
33   C  CE2   . PHE A 4   ? 0.7275 0.7727 0.6351 0.1145  0.1020  0.0226  21  PHE A CE2   
34   C  CZ    . PHE A 4   ? 0.7622 0.8164 0.6731 0.0940  0.1136  0.0409  21  PHE A CZ    
35   N  N     . LYS A 5   ? 0.8199 0.4734 0.3904 0.0327  0.0482  -0.0890 22  LYS A N     
36   C  CA    . LYS A 5   ? 0.7918 0.4989 0.3954 0.0241  0.0302  -0.0773 22  LYS A CA    
37   C  C     . LYS A 5   ? 0.7496 0.5026 0.4093 0.0212  0.0152  -0.0627 22  LYS A C     
38   O  O     . LYS A 5   ? 0.7658 0.5300 0.4230 0.0216  0.0202  -0.0698 22  LYS A O     
39   C  CB    . LYS A 5   ? 0.8029 0.5114 0.3715 0.0239  0.0272  -0.1141 22  LYS A CB    
40   C  CG    . LYS A 5   ? 0.8049 0.5288 0.3959 -0.0015 0.0162  -0.1258 22  LYS A CG    
41   C  CD    . LYS A 5   ? 0.8135 0.5263 0.3950 -0.0261 0.0248  -0.1401 22  LYS A CD    
42   C  CE    . LYS A 5   ? 0.8021 0.5367 0.4191 -0.0539 0.0091  -0.1409 22  LYS A CE    
43   N  NZ    . LYS A 5   ? 0.8156 0.5618 0.4438 -0.0794 0.0005  -0.1490 22  LYS A NZ    
44   N  N     . LEU A 6   ? 0.7283 0.5312 0.4455 0.0241  -0.0003 -0.0276 23  LEU A N     
45   C  CA    . LEU A 6   ? 0.6966 0.4981 0.4381 0.0283  -0.0064 -0.0213 23  LEU A CA    
46   C  C     . LEU A 6   ? 0.7083 0.4450 0.4729 0.0299  -0.0334 -0.0135 23  LEU A C     
47   O  O     . LEU A 6   ? 0.7257 0.3872 0.5057 0.0403  -0.0603 -0.0176 23  LEU A O     
48   C  CB    . LEU A 6   ? 0.6863 0.5492 0.4428 0.0206  0.0163  -0.0168 23  LEU A CB    
49   C  CG    . LEU A 6   ? 0.6673 0.5998 0.4761 0.0173  0.0282  -0.0370 23  LEU A CG    
50   C  CD1   . LEU A 6   ? 0.6734 0.6198 0.4635 0.0096  0.0403  -0.0259 23  LEU A CD1   
51   C  CD2   . LEU A 6   ? 0.6773 0.6127 0.5183 0.0222  0.0154  -0.0546 23  LEU A CD2   
52   N  N     . VAL A 7   ? 0.6766 0.4473 0.5237 0.0364  -0.0348 0.0076  24  VAL A N     
53   C  CA    . VAL A 7   ? 0.6777 0.4751 0.5591 0.0416  -0.0686 0.0206  24  VAL A CA    
54   C  C     . VAL A 7   ? 0.6671 0.4833 0.5605 0.0351  -0.0650 0.0380  24  VAL A C     
55   O  O     . VAL A 7   ? 0.6130 0.4402 0.5394 0.0116  -0.0613 0.0462  24  VAL A O     
56   C  CB    . VAL A 7   ? 0.6688 0.4778 0.5640 0.0319  -0.0786 0.0082  24  VAL A CB    
57   C  CG1   . VAL A 7   ? 0.6995 0.5022 0.5726 0.0447  -0.0963 0.0101  24  VAL A CG1   
58   C  CG2   . VAL A 7   ? 0.6705 0.4719 0.5599 0.0365  -0.0501 0.0204  24  VAL A CG2   
59   N  N     . LEU A 8   ? 0.6829 0.5203 0.5969 0.0443  -0.0595 0.0456  25  LEU A N     
60   C  CA    . LEU A 8   ? 0.6878 0.5210 0.6035 0.0379  -0.0359 0.0547  25  LEU A CA    
61   C  C     . LEU A 8   ? 0.6596 0.4841 0.6123 0.0254  -0.0375 0.0566  25  LEU A C     
62   O  O     . LEU A 8   ? 0.6619 0.4565 0.6306 0.0397  -0.0141 0.0212  25  LEU A O     
63   C  CB    . LEU A 8   ? 0.7364 0.5784 0.6137 0.0406  -0.0637 0.0818  25  LEU A CB    
64   C  CG    . LEU A 8   ? 0.7527 0.5987 0.6364 0.0342  -0.0599 0.1127  25  LEU A CG    
65   C  CD1   . LEU A 8   ? 0.7426 0.6075 0.6162 0.0364  -0.0420 0.1222  25  LEU A CD1   
66   C  CD2   . LEU A 8   ? 0.8236 0.6077 0.6790 0.0392  -0.0816 0.1218  25  LEU A CD2   
67   N  N     . LEU A 9   ? 0.6389 0.4841 0.5782 0.0172  -0.0343 0.0858  26  LEU A N     
68   C  CA    . LEU A 9   ? 0.6414 0.5243 0.5625 0.0217  -0.0436 0.0489  26  LEU A CA    
69   C  C     . LEU A 9   ? 0.6068 0.4933 0.5605 0.0182  -0.0514 0.0616  26  LEU A C     
70   O  O     . LEU A 9   ? 0.5860 0.3991 0.5083 0.0173  -0.0404 0.0666  26  LEU A O     
71   C  CB    . LEU A 9   ? 0.6776 0.5080 0.5789 -0.0018 -0.0216 0.0543  26  LEU A CB    
72   C  CG    . LEU A 9   ? 0.6981 0.5106 0.5899 -0.0249 -0.0309 0.0497  26  LEU A CG    
73   C  CD1   . LEU A 9   ? 0.6910 0.5432 0.6199 -0.0162 -0.0373 0.0481  26  LEU A CD1   
74   C  CD2   . LEU A 9   ? 0.7184 0.5534 0.6202 -0.0396 -0.0494 0.0546  26  LEU A CD2   
75   N  N     . GLY A 10  ? 0.6075 0.5723 0.6277 0.0344  -0.0388 0.0447  27  GLY A N     
76   C  CA    . GLY A 10  ? 0.5750 0.6160 0.6759 0.0293  -0.0117 0.0218  27  GLY A CA    
77   C  C     . GLY A 10  ? 0.5510 0.6800 0.7378 -0.0080 -0.0299 -0.0153 27  GLY A C     
78   O  O     . GLY A 10  ? 0.4305 0.7089 0.7286 -0.0296 -0.0394 -0.0379 27  GLY A O     
79   N  N     . GLU A 11  ? 0.5751 0.7143 0.8387 0.0038  -0.0002 -0.0063 28  GLU A N     
80   C  CA    . GLU A 11  ? 0.6075 0.7558 0.9070 -0.0186 -0.0152 -0.0293 28  GLU A CA    
81   C  C     . GLU A 11  ? 0.6113 0.7750 0.8650 -0.0049 -0.0482 -0.0588 28  GLU A C     
82   O  O     . GLU A 11  ? 0.5965 0.7674 0.7478 -0.0076 -0.0790 -0.0728 28  GLU A O     
83   C  CB    . GLU A 11  ? 0.6723 0.7698 0.9809 0.0023  0.0133  -0.0346 28  GLU A CB    
84   C  CG    . GLU A 11  ? 0.7304 0.7915 1.0494 -0.0115 0.0260  -0.0136 28  GLU A CG    
85   C  CD    . GLU A 11  ? 0.7758 0.8382 1.1702 -0.0285 0.0273  -0.0313 28  GLU A CD    
86   O  OE1   . GLU A 11  ? 0.8799 0.8537 1.1469 -0.0312 0.0246  -0.0139 28  GLU A OE1   
87   O  OE2   . GLU A 11  ? 0.7258 0.8839 1.2886 0.0146  0.0164  -0.0397 28  GLU A OE2   
88   N  N     . SER A 12  ? 0.5936 0.8275 0.9325 0.0130  -0.0536 -0.0825 29  SER A N     
89   C  CA    . SER A 12  ? 0.6309 0.8745 0.9632 0.0380  -0.0707 -0.0909 29  SER A CA    
90   C  C     . SER A 12  ? 0.6527 0.8593 0.9370 0.0888  -0.0552 -0.1018 29  SER A C     
91   O  O     . SER A 12  ? 0.6075 0.8691 0.9659 0.1324  -0.0138 -0.1010 29  SER A O     
92   C  CB    . SER A 12  ? 0.6496 0.9699 1.0603 0.0347  -0.0786 -0.1181 29  SER A CB    
93   O  OG    . SER A 12  ? 0.6946 1.0146 1.1233 0.0383  -0.0262 -0.1300 29  SER A OG    
94   N  N     . GLY A 13  ? 0.7107 0.8218 0.9187 0.1046  -0.0808 -0.0913 30  GLY A N     
95   C  CA    . GLY A 13  ? 0.7280 0.8156 0.8795 0.1168  -0.0873 -0.1081 30  GLY A CA    
96   C  C     . GLY A 13  ? 0.7133 0.7433 0.7683 0.1098  -0.0667 -0.0993 30  GLY A C     
97   O  O     . GLY A 13  ? 0.6985 0.7666 0.7231 0.0926  -0.0811 -0.1407 30  GLY A O     
98   N  N     . VAL A 14  ? 0.6926 0.6534 0.6949 0.0775  -0.0459 -0.0922 31  VAL A N     
99   C  CA    . VAL A 14  ? 0.7376 0.5875 0.6620 0.0767  -0.0241 -0.0886 31  VAL A CA    
100  C  C     . VAL A 14  ? 0.7900 0.5803 0.6373 0.0926  -0.0225 -0.0934 31  VAL A C     
101  O  O     . VAL A 14  ? 0.8231 0.5639 0.6240 0.0913  0.0116  -0.1194 31  VAL A O     
102  C  CB    . VAL A 14  ? 0.7217 0.5530 0.6807 0.0552  0.0054  -0.0684 31  VAL A CB    
103  C  CG1   . VAL A 14  ? 0.6804 0.5710 0.7389 0.0647  0.0338  -0.0774 31  VAL A CG1   
104  C  CG2   . VAL A 14  ? 0.7260 0.5639 0.6333 0.0386  0.0024  -0.0643 31  VAL A CG2   
105  N  N     . GLY A 15  ? 0.7873 0.5705 0.6478 0.0928  -0.0631 -0.0975 32  GLY A N     
106  C  CA    . GLY A 15  ? 0.7971 0.5387 0.5995 0.0947  -0.0833 -0.0838 32  GLY A CA    
107  C  C     . GLY A 15  ? 0.7499 0.5099 0.5488 0.0727  -0.0823 -0.0725 32  GLY A C     
108  O  O     . GLY A 15  ? 0.7425 0.4138 0.5130 0.0744  -0.0749 -0.0987 32  GLY A O     
109  N  N     . LYS A 16  ? 0.7171 0.5154 0.5695 0.0665  -0.0898 -0.0621 33  LYS A N     
110  C  CA    . LYS A 16  ? 0.7186 0.5155 0.5853 0.0501  -0.0956 -0.0457 33  LYS A CA    
111  C  C     . LYS A 16  ? 0.7861 0.5169 0.5873 0.0738  -0.1361 -0.0200 33  LYS A C     
112  O  O     . LYS A 16  ? 0.7910 0.4556 0.5862 0.0851  -0.1327 0.0091  33  LYS A O     
113  C  CB    . LYS A 16  ? 0.7044 0.5457 0.6201 0.0291  -0.0957 -0.0576 33  LYS A CB    
114  C  CG    . LYS A 16  ? 0.6659 0.5133 0.5958 0.0170  -0.0769 -0.0609 33  LYS A CG    
115  C  CD    . LYS A 16  ? 0.6773 0.5010 0.6221 0.0147  -0.0583 -0.0656 33  LYS A CD    
116  C  CE    . LYS A 16  ? 0.6924 0.5612 0.6941 0.0337  -0.0663 -0.0821 33  LYS A CE    
117  N  NZ    . LYS A 16  ? 0.6873 0.5888 0.7428 0.0370  -0.0530 -0.0923 33  LYS A NZ    
118  N  N     . SER A 17  ? 0.8169 0.5636 0.6315 0.1023  -0.1782 -0.0500 34  SER A N     
119  C  CA    . SER A 17  ? 0.8929 0.5838 0.6391 0.1266  -0.1964 -0.0826 34  SER A CA    
120  C  C     . SER A 17  ? 0.9519 0.5590 0.6077 0.1479  -0.1899 -0.0579 34  SER A C     
121  O  O     . SER A 17  ? 1.0247 0.4934 0.5875 0.1901  -0.1732 -0.0758 34  SER A O     
122  C  CB    . SER A 17  ? 0.9147 0.6670 0.6820 0.1544  -0.2441 -0.1086 34  SER A CB    
123  O  OG    . SER A 17  ? 0.8760 0.7352 0.7359 0.1297  -0.2396 -0.1124 34  SER A OG    
124  N  N     . SER A 18  ? 0.9315 0.5447 0.5770 0.1391  -0.2153 -0.0554 35  SER A N     
125  C  CA    . SER A 18  ? 0.9614 0.5305 0.5463 0.1368  -0.2187 -0.0896 35  SER A CA    
126  C  C     . SER A 18  ? 0.9392 0.4635 0.4944 0.1000  -0.1936 -0.0722 35  SER A C     
127  O  O     . SER A 18  ? 0.9590 0.4550 0.4678 0.1001  -0.2088 -0.0733 35  SER A O     
128  C  CB    . SER A 18  ? 0.9618 0.5763 0.5545 0.1579  -0.2228 -0.1113 35  SER A CB    
129  O  OG    . SER A 18  ? 0.9519 0.6251 0.5880 0.1780  -0.2570 -0.1503 35  SER A OG    
130  N  N     . VAL A 19  ? 0.8762 0.4119 0.5023 0.0633  -0.1567 -0.0598 36  VAL A N     
131  C  CA    . VAL A 19  ? 0.8651 0.4008 0.4965 0.0402  -0.0996 -0.0275 36  VAL A CA    
132  C  C     . VAL A 19  ? 0.8914 0.4278 0.5379 0.0398  -0.0735 -0.0206 36  VAL A C     
133  O  O     . VAL A 19  ? 0.9113 0.4086 0.5801 0.0260  -0.0316 0.0051  36  VAL A O     
134  C  CB    . VAL A 19  ? 0.7932 0.3947 0.4628 0.0244  -0.0821 -0.0075 36  VAL A CB    
135  C  CG1   . VAL A 19  ? 0.7659 0.3955 0.4248 0.0102  -0.0507 0.0023  36  VAL A CG1   
136  C  CG2   . VAL A 19  ? 0.7860 0.3826 0.4479 0.0305  -0.0825 0.0183  36  VAL A CG2   
137  N  N     . VAL A 20  ? 0.8833 0.4783 0.5608 0.0484  -0.1169 -0.0421 37  VAL A N     
138  C  CA    . VAL A 20  ? 0.8922 0.5204 0.5385 0.0545  -0.1099 -0.0520 37  VAL A CA    
139  C  C     . VAL A 20  ? 0.9650 0.5093 0.5368 0.0676  -0.1015 -0.0469 37  VAL A C     
140  O  O     . VAL A 20  ? 0.9972 0.4862 0.5133 0.0386  -0.0964 -0.0624 37  VAL A O     
141  C  CB    . VAL A 20  ? 0.8581 0.5488 0.5601 0.0744  -0.1299 -0.0766 37  VAL A CB    
142  C  CG1   . VAL A 20  ? 0.8700 0.5973 0.6120 0.0998  -0.1696 -0.0956 37  VAL A CG1   
143  C  CG2   . VAL A 20  ? 0.8821 0.5640 0.5504 0.0748  -0.1064 -0.0683 37  VAL A CG2   
144  N  N     . GLN A 21  ? 0.9893 0.5696 0.5883 0.1079  -0.1226 -0.0447 38  GLN A N     
145  C  CA    . GLN A 21  ? 1.0879 0.6102 0.6559 0.1405  -0.1198 -0.0269 38  GLN A CA    
146  C  C     . GLN A 21  ? 1.1312 0.5392 0.6451 0.1334  -0.0779 -0.0007 38  GLN A C     
147  O  O     . GLN A 21  ? 1.1905 0.4913 0.6088 0.1347  -0.0628 0.0028  38  GLN A O     
148  C  CB    . GLN A 21  ? 1.1317 0.6955 0.7466 0.1976  -0.1611 -0.0331 38  GLN A CB    
149  C  CG    . GLN A 21  ? 1.1428 0.7752 0.8278 0.2081  -0.2120 -0.0528 38  GLN A CG    
150  C  CD    . GLN A 21  ? 1.1524 0.8586 0.9302 0.2381  -0.2527 -0.0683 38  GLN A CD    
151  O  OE1   . GLN A 21  ? 1.2239 0.8811 1.0193 0.2967  -0.2780 -0.0645 38  GLN A OE1   
152  N  N     . ARG A 22  ? 1.1161 0.5170 0.6548 0.1184  -0.0720 0.0225  39  ARG A N     
153  C  CA    . ARG A 22  ? 1.1783 0.5451 0.6694 0.0838  -0.0403 0.0512  39  ARG A CA    
154  C  C     . ARG A 22  ? 1.1761 0.5232 0.6382 0.0768  0.0024  0.0721  39  ARG A C     
155  O  O     . ARG A 22  ? 1.2234 0.4797 0.6619 0.0774  0.0370  0.0778  39  ARG A O     
156  C  CB    . ARG A 22  ? 1.1597 0.5634 0.6894 0.0504  -0.0373 0.0508  39  ARG A CB    
157  C  CG    . ARG A 22  ? 1.2326 0.5626 0.7530 0.0083  -0.0041 0.0595  39  ARG A CG    
158  C  CD    . ARG A 22  ? 1.3724 0.5846 0.7760 0.0009  -0.0029 0.0651  39  ARG A CD    
159  N  NE    . ARG A 22  ? 1.4504 0.6027 0.8537 -0.0380 0.0152  0.1147  39  ARG A NE    
160  C  CZ    . ARG A 22  ? 1.4766 0.5980 0.8971 -0.0788 0.0515  0.1363  39  ARG A CZ    
161  N  NH1   . ARG A 22  ? 1.5350 0.5649 0.8782 -0.0833 0.0563  0.1589  39  ARG A NH1   
162  N  NH2   . ARG A 22  ? 1.4226 0.5791 0.9143 -0.1047 0.0829  0.1069  39  ARG A NH2   
163  N  N     . LEU A 23  ? 1.1231 0.5570 0.6262 0.0733  -0.0071 0.0857  40  LEU A N     
164  C  CA    . LEU A 23  ? 1.1018 0.5960 0.6314 0.0309  0.0438  0.0887  40  LEU A CA    
165  C  C     . LEU A 23  ? 1.1632 0.6150 0.6182 0.0204  0.0645  0.0934  40  LEU A C     
166  O  O     . LEU A 23  ? 1.2158 0.6357 0.6404 -0.0145 0.1140  0.1252  40  LEU A O     
167  C  CB    . LEU A 23  ? 1.0397 0.5490 0.6643 0.0260  0.0377  0.0727  40  LEU A CB    
168  C  CG    . LEU A 23  ? 1.0345 0.5362 0.6833 0.0021  0.0658  0.0750  40  LEU A CG    
169  C  CD1   . LEU A 23  ? 1.0313 0.5008 0.6943 -0.0258 0.0893  0.0920  40  LEU A CD1   
170  C  CD2   . LEU A 23  ? 0.9905 0.5707 0.6906 -0.0123 0.0520  0.0635  40  LEU A CD2   
171  N  N     . MET A 24  ? 1.1824 0.6074 0.5995 0.0425  0.0435  0.0684  41  MET A N     
172  C  CA    . MET A 24  ? 1.2458 0.6068 0.5950 0.0506  0.0613  0.0677  41  MET A CA    
173  C  C     . MET A 24  ? 1.3307 0.6238 0.5921 0.0370  0.0965  0.0677  41  MET A C     
174  O  O     . MET A 24  ? 1.3776 0.6385 0.6274 0.0459  0.1407  0.0169  41  MET A O     
175  C  CB    . MET A 24  ? 1.2621 0.6123 0.5814 0.0802  0.0115  0.0563  41  MET A CB    
176  C  CG    . MET A 24  ? 1.1921 0.6171 0.5974 0.0808  -0.0030 0.0618  41  MET A CG    
177  S  SD    . MET A 24  ? 1.1860 0.5864 0.6209 0.0701  0.0472  0.0786  41  MET A SD    
178  C  CE    . MET A 24  ? 1.2753 0.6073 0.6202 0.0957  0.0425  0.0826  41  MET A CE    
179  N  N     . LYS A 25  ? 1.3401 0.6175 0.5729 0.0337  0.0757  0.0918  42  LYS A N     
180  C  CA    . LYS A 25  ? 1.4383 0.6154 0.5468 0.0308  0.0927  0.1017  42  LYS A CA    
181  C  C     . LYS A 25  ? 1.4756 0.6126 0.5861 -0.0213 0.1293  0.1066  42  LYS A C     
182  O  O     . LYS A 25  ? 1.5685 0.6411 0.6150 -0.0431 0.1548  0.1398  42  LYS A O     
183  C  CB    . LYS A 25  ? 1.4474 0.5648 0.4797 0.0433  0.0703  0.0934  42  LYS A CB    
184  N  N     . ASP A 26  ? 1.3811 0.6095 0.6010 -0.0564 0.1389  0.0805  43  ASP A N     
185  C  CA    . ASP A 26  ? 1.3945 0.6503 0.6847 -0.0988 0.1895  0.0899  43  ASP A CA    
186  C  C     . ASP A 26  ? 1.4064 0.6650 0.7403 -0.1207 0.2214  0.0621  43  ASP A C     
187  O  O     . ASP A 26  ? 1.4545 0.7100 0.8153 -0.1563 0.2572  0.0327  43  ASP A O     
188  C  CB    . ASP A 26  ? 1.3040 0.6644 0.6796 -0.1301 0.1940  0.0896  43  ASP A CB    
189  N  N     . ALA A 27  ? 1.3630 0.6682 0.7510 -0.1091 0.1967  0.0444  44  ALA A N     
190  C  CA    . ALA A 27  ? 1.3541 0.6969 0.7949 -0.1147 0.2247  0.0493  44  ALA A CA    
191  C  C     . ALA A 27  ? 1.4649 0.7235 0.8197 -0.0981 0.2119  0.0493  44  ALA A C     
192  O  O     . ALA A 27  ? 1.5107 0.7354 0.8940 -0.0898 0.2439  0.0464  44  ALA A O     
193  C  CB    . ALA A 27  ? 1.2769 0.6870 0.7733 -0.0946 0.1914  0.0476  44  ALA A CB    
194  N  N     . PHE A 28  ? 1.4939 0.7269 0.8171 -0.0761 0.1723  0.0479  45  PHE A N     
195  C  CA    . PHE A 28  ? 1.5815 0.7971 0.8370 -0.0495 0.1688  0.0394  45  PHE A CA    
196  C  C     . PHE A 28  ? 1.7023 0.8275 0.9237 -0.0869 0.2244  0.0103  45  PHE A C     
197  O  O     . PHE A 28  ? 1.8141 0.9075 1.0147 -0.0945 0.2767  -0.0079 45  PHE A O     
198  C  CB    . PHE A 28  ? 1.5982 0.8021 0.8087 -0.0046 0.1095  0.0418  45  PHE A CB    
199  C  CG    . PHE A 28  ? 1.6841 0.8345 0.7999 0.0247  0.0876  0.0211  45  PHE A CG    
200  C  CD1   . PHE A 28  ? 1.7009 0.8398 0.7845 0.0519  0.0814  0.0174  45  PHE A CD1   
201  C  CD2   . PHE A 28  ? 1.7706 0.8524 0.8263 0.0309  0.0793  0.0299  45  PHE A CD2   
202  C  CE1   . PHE A 28  ? 1.8297 0.8755 0.7689 0.0923  0.0900  0.0134  45  PHE A CE1   
203  N  N     . SER A 29  ? 1.6649 0.8574 0.9376 -0.1042 0.2366  -0.0207 46  SER A N     
204  C  CA    . SER A 29  ? 1.7259 0.8254 0.9678 -0.1206 0.2734  -0.0577 46  SER A CA    
205  C  C     . SER A 29  ? 1.7103 0.8832 1.0555 -0.1854 0.3107  -0.0930 46  SER A C     
206  O  O     . SER A 29  ? 1.7999 0.8654 1.1094 -0.2140 0.3196  -0.1089 46  SER A O     
207  C  CB    . SER A 29  ? 1.7018 0.7556 0.9409 -0.1292 0.2470  -0.0499 46  SER A CB    
208  N  N     . GLU A 30  ? 1.5593 0.9907 1.0799 -0.1648 0.3211  -0.1169 47  GLU A N     
209  C  CA    . GLU A 30  ? 1.5512 1.0705 1.1231 -0.2028 0.3905  -0.1351 47  GLU A CA    
210  C  C     . GLU A 30  ? 1.5915 1.1236 1.1269 -0.2095 0.4910  -0.1849 47  GLU A C     
211  O  O     . GLU A 30  ? 1.5417 1.2183 1.0932 -0.2272 0.5375  -0.2253 47  GLU A O     
212  C  CB    . GLU A 30  ? 1.4279 1.0710 1.1183 -0.1882 0.3737  -0.1299 47  GLU A CB    
213  N  N     . ALA A 38  ? 1.0941 1.0175 0.9235 -0.0262 -0.2779 -0.1299 55  ALA A N     
214  C  CA    . ALA A 38  ? 1.0503 0.9776 0.8302 -0.0034 -0.2352 -0.1021 55  ALA A CA    
215  C  C     . ALA A 38  ? 1.0657 0.9371 0.7972 0.0204  -0.2213 -0.0984 55  ALA A C     
216  O  O     . ALA A 38  ? 1.1623 1.0249 0.8013 0.0278  -0.1859 -0.1152 55  ALA A O     
217  C  CB    . ALA A 38  ? 1.0111 0.9638 0.8252 -0.0041 -0.1983 -0.0927 55  ALA A CB    
218  N  N     . SER A 39  ? 0.9673 0.8585 0.7106 0.0620  -0.2027 -0.0804 56  SER A N     
219  C  CA    . SER A 39  ? 0.9931 0.8189 0.6757 0.1154  -0.1934 -0.0701 56  SER A CA    
220  C  C     . SER A 39  ? 0.9720 0.7487 0.6235 0.1395  -0.1334 -0.0521 56  SER A C     
221  O  O     . SER A 39  ? 0.9474 0.7333 0.6137 0.1553  -0.0943 -0.0419 56  SER A O     
222  C  CB    . SER A 39  ? 1.0031 0.8343 0.6698 0.1443  -0.2063 -0.0589 56  SER A CB    
223  O  OG    . SER A 39  ? 1.0214 0.8826 0.7122 0.1614  -0.2420 -0.0655 56  SER A OG    
224  N  N     . PHE A 40  ? 0.9966 0.6890 0.5914 0.1530  -0.1294 -0.0482 57  PHE A N     
225  C  CA    . PHE A 40  ? 0.9603 0.6063 0.5394 0.1309  -0.0967 -0.0437 57  PHE A CA    
226  C  C     . PHE A 40  ? 0.9897 0.5813 0.5319 0.1160  -0.0971 -0.0324 57  PHE A C     
227  O  O     . PHE A 40  ? 1.0604 0.5502 0.5342 0.1104  -0.1015 -0.0183 57  PHE A O     
228  C  CB    . PHE A 40  ? 0.9504 0.6063 0.5200 0.1461  -0.0901 -0.0596 57  PHE A CB    
229  C  CG    . PHE A 40  ? 0.9117 0.5637 0.4975 0.1538  -0.1016 -0.0861 57  PHE A CG    
230  C  CD1   . PHE A 40  ? 0.8342 0.5196 0.4742 0.1387  -0.0848 -0.0847 57  PHE A CD1   
231  C  CD2   . PHE A 40  ? 0.9491 0.5831 0.5285 0.1698  -0.1379 -0.1011 57  PHE A CD2   
232  C  CE1   . PHE A 40  ? 0.8346 0.5411 0.5030 0.1335  -0.0958 -0.0968 57  PHE A CE1   
233  C  CE2   . PHE A 40  ? 0.9313 0.5883 0.5301 0.1596  -0.1555 -0.1036 57  PHE A CE2   
234  C  CZ    . PHE A 40  ? 0.8780 0.5697 0.5277 0.1384  -0.1292 -0.1100 57  PHE A CZ    
235  N  N     . PHE A 41  ? 0.9561 0.5866 0.5438 0.0925  -0.0707 -0.0112 58  PHE A N     
236  C  CA    . PHE A 41  ? 1.0282 0.5894 0.5627 0.0932  -0.0349 -0.0024 58  PHE A CA    
237  C  C     . PHE A 41  ? 1.0275 0.5985 0.5632 0.0788  0.0163  0.0063  58  PHE A C     
238  O  O     . PHE A 41  ? 0.9582 0.6527 0.5881 0.0623  0.0000  -0.0273 58  PHE A O     
239  C  CB    . PHE A 41  ? 1.0007 0.5823 0.5767 0.0819  -0.0290 -0.0248 58  PHE A CB    
240  C  CG    . PHE A 41  ? 1.0316 0.6055 0.6120 0.0914  -0.0680 -0.0642 58  PHE A CG    
241  C  CD1   . PHE A 41  ? 1.0022 0.6045 0.6306 0.0746  -0.0923 -0.0794 58  PHE A CD1   
242  C  CD2   . PHE A 41  ? 1.1124 0.6092 0.6096 0.1100  -0.0768 -0.0583 58  PHE A CD2   
243  C  CE1   . PHE A 41  ? 1.0091 0.6297 0.6528 0.0927  -0.1265 -0.0935 58  PHE A CE1   
244  C  CE2   . PHE A 41  ? 1.1373 0.6383 0.6433 0.1259  -0.1256 -0.0660 58  PHE A CE2   
245  C  CZ    . PHE A 41  ? 1.0745 0.6548 0.6585 0.1216  -0.1530 -0.0885 58  PHE A CZ    
246  N  N     . ARG A 42  ? 1.1076 0.5866 0.5865 0.0750  0.0562  0.0160  59  ARG A N     
247  C  CA    . ARG A 42  ? 1.1094 0.6017 0.6195 0.0359  0.0828  0.0360  59  ARG A CA    
248  C  C     . ARG A 42  ? 1.0932 0.5662 0.6103 0.0336  0.0902  0.0603  59  ARG A C     
249  O  O     . ARG A 42  ? 1.1243 0.5269 0.7262 0.0217  0.0863  0.0679  59  ARG A O     
250  C  CB    . ARG A 42  ? 1.2287 0.6675 0.6357 0.0338  0.1284  0.0264  59  ARG A CB    
251  C  CG    . ARG A 42  ? 1.2719 0.6780 0.6529 0.0307  0.1093  -0.0107 59  ARG A CG    
252  C  CD    . ARG A 42  ? 1.2626 0.6975 0.6825 0.0340  0.1292  -0.0311 59  ARG A CD    
253  N  NE    . ARG A 42  ? 1.3622 0.7909 0.6853 0.0533  0.1711  -0.0679 59  ARG A NE    
254  C  CZ    . ARG A 42  ? 1.3997 0.8243 0.6825 0.0441  0.1373  -0.0935 59  ARG A CZ    
255  N  NH1   . ARG A 42  ? 1.3693 0.8164 0.7104 0.0351  0.1033  -0.0791 59  ARG A NH1   
256  N  NH2   . ARG A 42  ? 1.4655 0.8652 0.6079 0.0543  0.1180  -0.0882 59  ARG A NH2   
257  N  N     . TYR A 43  ? 1.0473 0.5459 0.5739 0.0070  0.1118  0.0457  60  TYR A N     
258  C  CA    . TYR A 43  ? 1.0446 0.5497 0.5913 -0.0017 0.1315  0.0518  60  TYR A CA    
259  C  C     . TYR A 43  ? 1.0022 0.5680 0.6359 -0.0090 0.1548  0.0427  60  TYR A C     
260  O  O     . TYR A 43  ? 0.9120 0.5478 0.6763 -0.0170 0.1662  0.0249  60  TYR A O     
261  C  CB    . TYR A 43  ? 0.9973 0.5707 0.6125 -0.0106 0.1147  0.0446  60  TYR A CB    
262  C  CG    . TYR A 43  ? 1.0030 0.5863 0.6489 -0.0292 0.1304  0.0202  60  TYR A CG    
263  C  CD1   . TYR A 43  ? 1.0742 0.5806 0.6556 -0.0378 0.1415  0.0172  60  TYR A CD1   
264  C  CD2   . TYR A 43  ? 0.9273 0.5942 0.6839 -0.0503 0.1102  0.0016  60  TYR A CD2   
265  C  CE1   . TYR A 43  ? 1.0636 0.6153 0.7129 -0.0783 0.1412  0.0230  60  TYR A CE1   
266  C  CE2   . TYR A 43  ? 0.9271 0.6159 0.7325 -0.0842 0.1197  0.0078  60  TYR A CE2   
267  C  CZ    . TYR A 43  ? 0.9914 0.6279 0.7696 -0.1012 0.1185  0.0258  60  TYR A CZ    
268  O  OH    . TYR A 43  ? 1.0173 0.6539 0.8690 -0.1356 0.0978  0.0156  60  TYR A OH    
269  N  N     . THR A 44  ? 1.0499 0.5947 0.6338 -0.0184 0.1775  0.0831  61  THR A N     
270  C  CA    . THR A 44  ? 1.0431 0.6408 0.6905 -0.0423 0.1814  0.0788  61  THR A CA    
271  C  C     . THR A 44  ? 1.0449 0.6428 0.7230 -0.0942 0.1714  0.0755  61  THR A C     
272  O  O     . THR A 44  ? 1.1073 0.6392 0.7177 -0.1341 0.1649  0.0581  61  THR A O     
273  C  CB    . THR A 44  ? 1.0708 0.6950 0.7511 -0.0213 0.2133  0.0842  61  THR A CB    
274  O  OG1   . THR A 44  ? 1.1136 0.6889 0.7268 0.0123  0.1764  0.0970  61  THR A OG1   
275  C  CG2   . THR A 44  ? 1.0265 0.7393 0.8288 -0.0336 0.2426  0.0709  61  THR A CG2   
276  N  N     . SER A 45  ? 1.0005 0.6382 0.7381 -0.1026 0.1329  0.0447  62  SER A N     
277  C  CA    . SER A 45  ? 0.9846 0.6495 0.7936 -0.1202 0.1405  0.0276  62  SER A CA    
278  C  C     . SER A 45  ? 0.9699 0.6866 0.8787 -0.0912 0.1715  0.0084  62  SER A C     
279  O  O     . SER A 45  ? 0.9270 0.6954 0.9099 -0.0702 0.1667  0.0065  62  SER A O     
280  C  CB    . SER A 45  ? 0.9690 0.6650 0.7768 -0.1209 0.1034  0.0294  62  SER A CB    
281  O  OG    . SER A 45  ? 0.9662 0.7485 0.7772 -0.1325 0.0975  0.0228  62  SER A OG    
282  N  N     . ASN A 46  ? 0.9805 0.7717 0.9355 -0.1339 0.1950  -0.0031 63  ASN A N     
283  C  CA    . ASN A 46  ? 0.9738 0.8486 1.0173 -0.1546 0.2121  -0.0075 63  ASN A CA    
284  C  C     . ASN A 46  ? 0.9290 0.8972 1.0644 -0.1570 0.1833  -0.0004 63  ASN A C     
285  O  O     . ASN A 46  ? 0.9699 0.8984 1.1349 -0.1712 0.1934  -0.0042 63  ASN A O     
286  C  CB    . ASN A 46  ? 1.0452 0.8607 1.0471 -0.1829 0.2348  -0.0040 63  ASN A CB    
287  C  CG    . ASN A 46  ? 1.1053 0.8530 1.0418 -0.1727 0.2244  0.0050  63  ASN A CG    
288  O  OD1   . ASN A 46  ? 1.0627 0.9040 1.0564 -0.1561 0.2227  -0.0009 63  ASN A OD1   
289  N  ND2   . ASN A 46  ? 1.1865 0.7946 1.0345 -0.1657 0.2165  0.0239  63  ASN A ND2   
290  N  N     . VAL A 47  ? 0.8753 0.9214 1.0721 -0.1483 0.1618  0.0042  64  VAL A N     
291  C  CA    . VAL A 47  ? 0.7968 0.9540 1.0886 -0.1606 0.1429  -0.0225 64  VAL A CA    
292  C  C     . VAL A 47  ? 0.7832 1.0117 1.1548 -0.1915 0.1752  -0.0308 64  VAL A C     
293  O  O     . VAL A 47  ? 0.7989 0.9991 1.1919 -0.2098 0.1839  -0.0316 64  VAL A O     
294  C  CB    . VAL A 47  ? 0.7648 0.9730 1.0954 -0.1311 0.1089  -0.0451 64  VAL A CB    
295  C  CG1   . VAL A 47  ? 0.7258 0.9837 1.0930 -0.1232 0.0786  -0.0670 64  VAL A CG1   
296  C  CG2   . VAL A 47  ? 0.7557 0.9383 1.0482 -0.1135 0.0855  -0.0352 64  VAL A CG2   
297  N  N     . ASP A 48  ? 0.7553 1.0910 1.1799 -0.1986 0.2039  -0.0370 65  ASP A N     
298  C  CA    . ASP A 48  ? 0.7388 1.1737 1.2363 -0.2175 0.2257  -0.0445 65  ASP A CA    
299  C  C     . ASP A 48  ? 0.8022 1.2007 1.2451 -0.2120 0.2647  -0.0395 65  ASP A C     
300  O  O     . ASP A 48  ? 0.8447 1.1405 1.1750 -0.1957 0.2584  -0.0182 65  ASP A O     
301  C  CB    . ASP A 48  ? 0.6740 1.2294 1.2940 -0.2239 0.2040  -0.0651 65  ASP A CB    
302  C  CG    . ASP A 48  ? 0.6328 1.2093 1.2621 -0.1753 0.1742  -0.0524 65  ASP A CG    
303  N  N     . ASP A 49  ? 0.8061 1.2756 1.3137 -0.2049 0.2972  -0.0687 66  ASP A N     
304  C  CA    . ASP A 49  ? 0.8434 1.2987 1.3246 -0.2016 0.3601  -0.0552 66  ASP A CA    
305  C  C     . ASP A 49  ? 0.8495 1.3364 1.3322 -0.1531 0.3433  -0.0544 66  ASP A C     
306  O  O     . ASP A 49  ? 0.8984 1.3828 1.3256 -0.1601 0.3824  -0.0251 66  ASP A O     
307  C  CB    . ASP A 49  ? 0.8555 1.3681 1.4045 -0.2424 0.4259  -0.0734 66  ASP A CB    
308  N  N     . ASP A 50  ? 0.8277 1.3363 1.3586 -0.1284 0.2706  -0.0591 67  ASP A N     
309  C  CA    . ASP A 50  ? 0.8612 1.3438 1.3817 -0.1002 0.2662  -0.0439 67  ASP A CA    
310  C  C     . ASP A 50  ? 0.8257 1.2804 1.2704 -0.0553 0.2608  -0.0129 67  ASP A C     
311  O  O     . ASP A 50  ? 0.8580 1.2856 1.2703 -0.0204 0.2492  -0.0144 67  ASP A O     
312  C  CB    . ASP A 50  ? 0.8496 1.4049 1.4563 -0.0926 0.2280  -0.0646 67  ASP A CB    
313  C  CG    . ASP A 50  ? 0.8497 1.4756 1.5543 -0.1287 0.2393  -0.0840 67  ASP A CG    
314  O  OD1   . ASP A 50  ? 0.8471 1.5292 1.6139 -0.1312 0.3216  -0.0982 67  ASP A OD1   
315  O  OD2   . ASP A 50  ? 0.8463 1.4830 1.5708 -0.1392 0.1488  -0.0960 67  ASP A OD2   
316  N  N     . THR A 51  ? 0.7920 1.2168 1.1945 -0.0692 0.2492  0.0084  68  THR A N     
317  C  CA    . THR A 51  ? 0.8209 1.1493 1.1260 -0.0509 0.2062  0.0043  68  THR A CA    
318  C  C     . THR A 51  ? 0.8463 1.0219 1.0154 -0.0566 0.1996  0.0023  68  THR A C     
319  O  O     . THR A 51  ? 0.8525 1.0005 1.0096 -0.0685 0.2137  0.0154  68  THR A O     
320  C  CB    . THR A 51  ? 0.7893 1.1806 1.1365 -0.0528 0.1539  0.0019  68  THR A CB    
321  O  OG1   . THR A 51  ? 0.7246 1.2959 1.2585 -0.0684 0.1799  -0.0132 68  THR A OG1   
322  C  CG2   . THR A 51  ? 0.8197 1.1614 1.0937 -0.0275 0.1277  0.0062  68  THR A CG2   
323  N  N     . ALA A 52  ? 0.8310 0.9385 0.9266 -0.0127 0.2153  -0.0026 69  ALA A N     
324  C  CA    . ALA A 52  ? 0.8204 0.8462 0.8226 -0.0111 0.2292  -0.0084 69  ALA A CA    
325  C  C     . ALA A 52  ? 0.7992 0.7611 0.7328 0.0197  0.1975  -0.0128 69  ALA A C     
326  O  O     . ALA A 52  ? 0.7745 0.7909 0.7117 0.0569  0.2140  0.0063  69  ALA A O     
327  C  CB    . ALA A 52  ? 0.8761 0.8559 0.8291 -0.0120 0.2593  -0.0013 69  ALA A CB    
328  N  N     . VAL A 53  ? 0.7930 0.6827 0.6897 -0.0165 0.1767  -0.0098 70  VAL A N     
329  C  CA    . VAL A 53  ? 0.7871 0.6530 0.6448 -0.0106 0.1418  -0.0005 70  VAL A CA    
330  C  C     . VAL A 53  ? 0.8424 0.6318 0.5684 -0.0104 0.1360  0.0202  70  VAL A C     
331  O  O     . VAL A 53  ? 0.8671 0.5927 0.5392 -0.0225 0.1062  -0.0048 70  VAL A O     
332  C  CB    . VAL A 53  ? 0.7334 0.6387 0.6447 -0.0320 0.1078  -0.0027 70  VAL A CB    
333  C  CG1   . VAL A 53  ? 0.7299 0.6024 0.6158 -0.0241 0.0735  0.0116  70  VAL A CG1   
334  C  CG2   . VAL A 53  ? 0.6878 0.6657 0.6804 -0.0312 0.1041  -0.0095 70  VAL A CG2   
335  N  N     . HIS A 54  ? 0.8803 0.6427 0.5459 -0.0165 0.1431  0.0262  71  HIS A N     
336  C  CA    . HIS A 54  ? 0.9312 0.6076 0.5412 -0.0136 0.1406  0.0440  71  HIS A CA    
337  C  C     . HIS A 54  ? 0.9110 0.5662 0.4618 0.0072  0.1245  0.0581  71  HIS A C     
338  O  O     . HIS A 54  ? 0.9391 0.5963 0.4650 -0.0048 0.1467  0.0750  71  HIS A O     
339  C  CB    . HIS A 54  ? 0.9875 0.6444 0.5826 0.0016  0.1649  0.0309  71  HIS A CB    
340  C  CG    . HIS A 54  ? 1.0216 0.6826 0.6510 -0.0173 0.2009  0.0373  71  HIS A CG    
341  N  ND1   . HIS A 54  ? 1.0832 0.7032 0.6372 -0.0217 0.2118  0.0412  71  HIS A ND1   
342  C  CD2   . HIS A 54  ? 1.0206 0.7277 0.7148 -0.0081 0.2261  0.0307  71  HIS A CD2   
343  C  CE1   . HIS A 54  ? 1.1150 0.7659 0.6679 -0.0127 0.2629  0.0320  71  HIS A CE1   
344  N  NE2   . HIS A 54  ? 1.0734 0.7759 0.7126 -0.0030 0.2738  0.0292  71  HIS A NE2   
345  N  N     . PHE A 55  ? 0.8913 0.5220 0.4183 0.0079  0.1068  0.0699  72  PHE A N     
346  C  CA    . PHE A 55  ? 0.8460 0.4930 0.4070 0.0021  0.0575  0.0673  72  PHE A CA    
347  C  C     . PHE A 55  ? 0.8858 0.4800 0.3578 -0.0015 0.0356  0.0351  72  PHE A C     
348  O  O     . PHE A 55  ? 0.9329 0.4729 0.3566 -0.0099 0.0198  0.0032  72  PHE A O     
349  C  CB    . PHE A 55  ? 0.8216 0.5044 0.4457 -0.0037 0.0451  0.0637  72  PHE A CB    
350  C  CG    . PHE A 55  ? 0.7527 0.5344 0.4886 -0.0259 0.0294  0.0351  72  PHE A CG    
351  C  CD1   . PHE A 55  ? 0.7268 0.5351 0.5031 -0.0299 0.0108  0.0221  72  PHE A CD1   
352  C  CD2   . PHE A 55  ? 0.7722 0.5701 0.5585 -0.0436 0.0405  0.0301  72  PHE A CD2   
353  C  CE1   . PHE A 55  ? 0.7278 0.5888 0.5198 -0.0377 0.0220  0.0080  72  PHE A CE1   
354  C  CE2   . PHE A 55  ? 0.7610 0.5864 0.5578 -0.0525 0.0414  0.0361  72  PHE A CE2   
355  C  CZ    . PHE A 55  ? 0.7372 0.5836 0.5344 -0.0508 0.0303  0.0267  72  PHE A CZ    
356  N  N     . ASP A 56  ? 0.8494 0.5044 0.3205 0.0004  0.0089  0.0357  73  ASP A N     
357  C  CA    . ASP A 56  ? 0.8521 0.5185 0.3356 0.0151  0.0010  0.0351  73  ASP A CA    
358  C  C     . ASP A 56  ? 0.8014 0.4961 0.3498 0.0135  -0.0297 0.0013  73  ASP A C     
359  O  O     . ASP A 56  ? 0.7531 0.5106 0.2990 0.0222  -0.0518 -0.0329 73  ASP A O     
360  C  CB    . ASP A 56  ? 0.8608 0.5247 0.3368 0.0173  -0.0012 0.0354  73  ASP A CB    
361  C  CG    . ASP A 56  ? 0.8758 0.5283 0.3445 0.0181  -0.0255 0.0290  73  ASP A CG    
362  O  OD1   . ASP A 56  ? 0.8663 0.5502 0.3883 0.0318  -0.0338 0.0171  73  ASP A OD1   
363  O  OD2   . ASP A 56  ? 0.8836 0.5442 0.3531 0.0000  -0.0520 0.0411  73  ASP A OD2   
364  N  N     . ILE A 57  ? 0.8238 0.4603 0.3578 -0.0040 -0.0291 0.0136  74  ILE A N     
365  C  CA    . ILE A 57  ? 0.8018 0.4755 0.3833 -0.0056 -0.0346 0.0050  74  ILE A CA    
366  C  C     . ILE A 57  ? 0.8219 0.4451 0.4207 -0.0049 -0.0492 -0.0226 74  ILE A C     
367  O  O     . ILE A 57  ? 0.8735 0.4041 0.4547 -0.0123 -0.0572 -0.0097 74  ILE A O     
368  C  CB    . ILE A 57  ? 0.8047 0.5077 0.4117 -0.0024 -0.0252 0.0169  74  ILE A CB    
369  C  CG1   . ILE A 57  ? 0.7653 0.5374 0.4361 -0.0152 0.0076  0.0237  74  ILE A CG1   
370  C  CG2   . ILE A 57  ? 0.7906 0.5130 0.4167 0.0020  -0.0403 0.0192  74  ILE A CG2   
371  C  CD1   . ILE A 57  ? 0.7960 0.5433 0.4582 -0.0132 0.0207  0.0266  74  ILE A CD1   
372  N  N     . TRP A 58  ? 0.7946 0.4838 0.4218 -0.0060 -0.0495 -0.0500 75  TRP A N     
373  C  CA    . TRP A 58  ? 0.7960 0.5454 0.4615 -0.0028 -0.0701 -0.0680 75  TRP A CA    
374  C  C     . TRP A 58  ? 0.7483 0.5671 0.4819 -0.0092 -0.0771 -0.0717 75  TRP A C     
375  O  O     . TRP A 58  ? 0.7084 0.5668 0.4593 -0.0079 -0.0066 -0.0916 75  TRP A O     
376  C  CB    . TRP A 58  ? 0.7945 0.5702 0.4750 -0.0147 -0.0512 -0.0569 75  TRP A CB    
377  C  CG    . TRP A 58  ? 0.8317 0.5689 0.4873 -0.0032 -0.0415 -0.0472 75  TRP A CG    
378  C  CD1   . TRP A 58  ? 0.8509 0.5719 0.4896 0.0186  -0.0134 -0.0356 75  TRP A CD1   
379  C  CD2   . TRP A 58  ? 0.8498 0.5653 0.5073 -0.0152 -0.0434 -0.0453 75  TRP A CD2   
380  N  NE1   . TRP A 58  ? 0.8716 0.5707 0.5026 0.0153  -0.0026 -0.0432 75  TRP A NE1   
381  C  CE2   . TRP A 58  ? 0.8751 0.5724 0.4981 -0.0010 -0.0200 -0.0390 75  TRP A CE2   
382  C  CE3   . TRP A 58  ? 0.8640 0.5916 0.5379 -0.0243 -0.0405 -0.0421 75  TRP A CE3   
383  C  CZ2   . TRP A 58  ? 0.9179 0.5698 0.4897 0.0109  -0.0022 -0.0405 75  TRP A CZ2   
384  C  CZ3   . TRP A 58  ? 0.8969 0.5907 0.5757 -0.0316 -0.0307 -0.0319 75  TRP A CZ3   
385  C  CH2   . TRP A 58  ? 0.9331 0.5735 0.5307 -0.0154 -0.0208 -0.0478 75  TRP A CH2   
386  N  N     . ASP A 59  ? 0.7751 0.6043 0.5152 -0.0010 -0.1189 -0.0635 76  ASP A N     
387  C  CA    . ASP A 59  ? 0.7647 0.6213 0.5568 0.0264  -0.1223 -0.0482 76  ASP A CA    
388  C  C     . ASP A 59  ? 0.7607 0.6759 0.6729 0.0368  -0.1370 -0.0372 76  ASP A C     
389  O  O     . ASP A 59  ? 0.7605 0.7154 0.7077 0.0744  -0.1593 -0.0365 76  ASP A O     
390  C  CB    . ASP A 59  ? 0.8246 0.6551 0.5446 0.0415  -0.1338 -0.0191 76  ASP A CB    
391  C  CG    . ASP A 59  ? 0.8315 0.6853 0.6056 0.0525  -0.1529 -0.0248 76  ASP A CG    
392  O  OD1   . ASP A 59  ? 0.8047 0.6912 0.6015 0.0358  -0.1957 0.0352  76  ASP A OD1   
393  O  OD2   . ASP A 59  ? 0.9006 0.6687 0.6126 0.0715  -0.1602 -0.0562 76  ASP A OD2   
394  N  N     . THR A 60  ? 0.7429 0.7279 0.7534 0.0162  -0.1146 -0.0060 77  THR A N     
395  C  CA    . THR A 60  ? 0.7173 0.8037 0.8737 -0.0003 -0.1156 -0.0014 77  THR A CA    
396  C  C     . THR A 60  ? 0.7203 0.8725 0.9743 0.0487  -0.1216 0.0158  77  THR A C     
397  O  O     . THR A 60  ? 0.6406 0.8786 0.9803 0.0776  -0.0980 0.0536  77  THR A O     
398  C  CB    . THR A 60  ? 0.7072 0.8142 0.8781 -0.0489 -0.0717 -0.0010 77  THR A CB    
399  O  OG1   . THR A 60  ? 0.7137 0.8458 0.9356 -0.0958 -0.0831 -0.0468 77  THR A OG1   
400  N  N     . ALA A 61  ? 0.7512 0.9645 1.0847 0.0424  -0.1191 -0.0052 78  ALA A N     
401  C  CA    . ALA A 61  ? 0.7830 1.0884 1.1519 0.0661  -0.1585 -0.0202 78  ALA A CA    
402  C  C     . ALA A 61  ? 0.7799 1.1670 1.2534 0.0928  -0.1048 -0.0241 78  ALA A C     
403  O  O     . ALA A 61  ? 0.7642 1.2415 1.3806 0.1581  -0.1485 -0.0563 78  ALA A O     
404  C  CB    . ALA A 61  ? 0.8115 1.1405 1.1515 0.0692  -0.2194 -0.0268 78  ALA A CB    
405  N  N     . GLY A 62  ? 0.8665 1.1885 1.2392 0.0576  -0.0768 0.0262  79  GLY A N     
406  C  CA    . GLY A 62  ? 0.8749 1.2439 1.2947 0.0067  -0.0430 0.0303  79  GLY A CA    
407  C  C     . GLY A 62  ? 0.9330 1.2509 1.2418 -0.0560 -0.0034 0.0526  79  GLY A C     
408  O  O     . GLY A 62  ? 0.9162 1.2997 1.1800 -0.0663 0.0154  0.0413  79  GLY A O     
409  N  N     . LEU A 63  ? 0.9911 1.2452 1.2472 -0.1146 -0.0152 0.0326  80  LEU A N     
410  C  CA    . LEU A 63  ? 1.0010 1.1933 1.1943 -0.1355 -0.0208 0.0119  80  LEU A CA    
411  C  C     . LEU A 63  ? 1.0278 1.2156 1.2301 -0.1723 0.0205  0.0077  80  LEU A C     
412  O  O     . LEU A 63  ? 1.0127 1.2272 1.2695 -0.2021 0.0831  0.0519  80  LEU A O     
413  C  CB    . LEU A 63  ? 0.9630 1.1918 1.1770 -0.0854 -0.0234 0.0108  80  LEU A CB    
414  C  CG    . LEU A 63  ? 0.9531 1.1445 1.1053 -0.0760 0.0206  0.0089  80  LEU A CG    
415  C  CD2   . LEU A 63  ? 0.9094 1.1183 1.1220 -0.0696 0.0752  0.0001  80  LEU A CD2   
416  N  N     . GLU A 64  ? 1.0104 1.2124 1.2782 -0.1734 -0.0016 -0.0182 81  GLU A N     
417  C  CA    . GLU A 64  ? 0.9708 1.2311 1.3415 -0.1855 0.0342  -0.0180 81  GLU A CA    
418  C  C     . GLU A 64  ? 0.9377 1.2823 1.3981 -0.1945 0.0678  -0.0070 81  GLU A C     
419  O  O     . GLU A 64  ? 0.8593 1.3431 1.3714 -0.1684 0.0858  -0.0152 81  GLU A O     
420  C  CB    . GLU A 64  ? 0.9988 1.1716 1.3108 -0.2053 0.0512  -0.0216 81  GLU A CB    
421  C  CG    . GLU A 64  ? 1.0091 1.2009 1.3549 -0.2337 0.0218  -0.0611 81  GLU A CG    
422  N  N     . SER A 68  ? 1.1934 1.0356 1.3220 -0.2499 0.0322  -0.1489 85  SER A N     
423  C  CA    . SER A 68  ? 1.1245 1.0303 1.2704 -0.2122 0.0287  -0.1295 85  SER A CA    
424  C  C     . SER A 68  ? 1.0741 1.0155 1.2203 -0.1692 0.0080  -0.0811 85  SER A C     
425  O  O     . SER A 68  ? 1.0523 0.9660 1.1245 -0.1600 0.0286  -0.0444 85  SER A O     
426  C  CB    . SER A 68  ? 1.1132 1.0102 1.2290 -0.1801 0.0608  -0.1409 85  SER A CB    
427  O  OG    . SER A 68  ? 1.0581 1.0565 1.2085 -0.1479 0.0485  -0.1695 85  SER A OG    
428  N  N     . LEU A 69  ? 1.0255 1.0311 1.2223 -0.1767 -0.0061 -0.0772 86  LEU A N     
429  C  CA    . LEU A 69  ? 0.9803 0.9759 1.1281 -0.1419 -0.0381 -0.1052 86  LEU A CA    
430  C  C     . LEU A 69  ? 0.9564 0.9170 1.0339 -0.1150 -0.0102 -0.1146 86  LEU A C     
431  O  O     . LEU A 69  ? 0.9729 0.9303 1.0237 -0.1325 -0.0092 -0.0933 86  LEU A O     
432  C  CB    . LEU A 69  ? 0.9519 1.0110 1.1257 -0.1174 -0.0836 -0.1252 86  LEU A CB    
433  N  N     . ALA A 70  ? 0.9203 0.8492 0.9974 -0.1098 -0.0131 -0.1183 87  ALA A N     
434  C  CA    . ALA A 70  ? 0.8910 0.7846 0.9166 -0.0897 0.0191  -0.0834 87  ALA A CA    
435  C  C     . ALA A 70  ? 0.9129 0.7185 0.8459 -0.1053 0.0529  -0.0658 87  ALA A C     
436  O  O     . ALA A 70  ? 0.9336 0.5936 0.7633 -0.1192 0.0693  -0.0153 87  ALA A O     
437  C  CB    . ALA A 70  ? 0.8894 0.8021 0.9520 -0.0970 0.0518  -0.0693 87  ALA A CB    
438  N  N     . SER A 71  ? 0.9350 0.7107 0.8588 -0.1452 0.0697  -0.1004 88  SER A N     
439  C  CA    . SER A 71  ? 0.9365 0.6911 0.8171 -0.1408 0.0929  -0.1137 88  SER A CA    
440  C  C     . SER A 71  ? 0.9054 0.6886 0.7382 -0.1072 0.0470  -0.1173 88  SER A C     
441  O  O     . SER A 71  ? 0.8952 0.7123 0.6937 -0.0846 0.0766  -0.0964 88  SER A O     
442  C  CB    . SER A 71  ? 1.0060 0.7035 0.8650 -0.1674 0.1141  -0.1151 88  SER A CB    
443  O  OG    . SER A 71  ? 1.0360 0.7675 0.9120 -0.1940 0.1448  -0.1301 88  SER A OG    
444  N  N     . MET A 72  ? 0.8736 0.6863 0.7546 -0.1185 -0.0052 -0.1368 89  MET A N     
445  C  CA    . MET A 72  ? 0.8664 0.6777 0.7245 -0.1066 -0.0482 -0.1154 89  MET A CA    
446  C  C     . MET A 72  ? 0.8156 0.6128 0.6272 -0.0753 -0.0722 -0.1246 89  MET A C     
447  O  O     . MET A 72  ? 0.8314 0.5306 0.5538 -0.0922 -0.0545 -0.1289 89  MET A O     
448  C  CB    . MET A 72  ? 0.8848 0.7479 0.7905 -0.1114 -0.0901 -0.1182 89  MET A CB    
449  C  CG    . MET A 72  ? 0.9471 0.7662 0.8337 -0.1248 -0.0915 -0.1223 89  MET A CG    
450  S  SD    . MET A 72  ? 0.9750 0.8633 0.9001 -0.1087 -0.1434 -0.1249 89  MET A SD    
451  C  CE    . MET A 72  ? 0.9418 0.9132 1.0038 -0.1197 -0.1471 -0.1350 89  MET A CE    
452  N  N     . TYR A 73  ? 0.7637 0.6198 0.6302 -0.0820 -0.0855 -0.1117 90  TYR A N     
453  C  CA    . TYR A 73  ? 0.7311 0.6192 0.6175 -0.0622 -0.0731 -0.0921 90  TYR A CA    
454  C  C     . TYR A 73  ? 0.7204 0.5785 0.5786 -0.0453 -0.0524 -0.0791 90  TYR A C     
455  O  O     . TYR A 73  ? 0.7071 0.5677 0.5725 -0.0326 -0.0664 -0.0603 90  TYR A O     
456  C  CB    . TYR A 73  ? 0.6981 0.6459 0.6432 -0.0682 -0.0619 -0.1032 90  TYR A CB    
457  C  CG    . TYR A 73  ? 0.6585 0.6357 0.6479 -0.0382 -0.0564 -0.0812 90  TYR A CG    
458  C  CD1   . TYR A 73  ? 0.6633 0.6487 0.6689 -0.0073 -0.0935 -0.0791 90  TYR A CD1   
459  C  CD2   . TYR A 73  ? 0.6309 0.6266 0.6428 -0.0387 -0.0464 -0.0629 90  TYR A CD2   
460  C  CE1   . TYR A 73  ? 0.6500 0.6602 0.6789 0.0017  -0.1082 -0.0813 90  TYR A CE1   
461  C  CE2   . TYR A 73  ? 0.6135 0.6197 0.6394 -0.0174 -0.0507 -0.0663 90  TYR A CE2   
462  C  CZ    . TYR A 73  ? 0.6269 0.6273 0.6521 -0.0048 -0.0752 -0.0743 90  TYR A CZ    
463  O  OH    . TYR A 73  ? 0.6499 0.5996 0.6886 -0.0070 -0.0831 -0.1012 90  TYR A OH    
464  N  N     . TYR A 74  ? 0.7343 0.5484 0.5653 -0.0517 -0.0286 -0.0910 91  TYR A N     
465  C  CA    . TYR A 74  ? 0.7324 0.5516 0.5318 -0.0379 -0.0161 -0.0304 91  TYR A CA    
466  C  C     . TYR A 74  ? 0.7494 0.5078 0.4607 -0.0487 -0.0194 -0.0247 91  TYR A C     
467  O  O     . TYR A 74  ? 0.7382 0.5175 0.4328 -0.0209 -0.0162 -0.0130 91  TYR A O     
468  C  CB    . TYR A 74  ? 0.7464 0.5900 0.5493 -0.0405 0.0181  -0.0126 91  TYR A CB    
469  C  CG    . TYR A 74  ? 0.8019 0.6261 0.6124 -0.0678 0.0586  0.0079  91  TYR A CG    
470  C  CD1   . TYR A 74  ? 0.8604 0.6549 0.6100 -0.0439 0.0752  0.0252  91  TYR A CD1   
471  C  CD2   . TYR A 74  ? 0.7807 0.6861 0.6714 -0.0906 0.0680  0.0101  91  TYR A CD2   
472  C  CE1   . TYR A 74  ? 0.8945 0.7164 0.6374 -0.0676 0.0915  0.0370  91  TYR A CE1   
473  C  CE2   . TYR A 74  ? 0.8043 0.7263 0.7251 -0.1135 0.0825  0.0209  91  TYR A CE2   
474  C  CZ    . TYR A 74  ? 0.8404 0.7437 0.7014 -0.1046 0.0864  0.0286  91  TYR A CZ    
475  O  OH    . TYR A 74  ? 0.8169 0.8740 0.7091 -0.1890 0.1057  -0.0030 91  TYR A OH    
476  N  N     . ARG A 75  ? 0.7743 0.4961 0.4782 -0.0683 -0.0327 -0.0116 92  ARG A N     
477  C  CA    . ARG A 75  ? 0.8125 0.4718 0.4854 -0.0578 -0.0249 -0.0258 92  ARG A CA    
478  C  C     . ARG A 75  ? 0.8165 0.4146 0.4501 -0.0174 -0.0165 -0.0234 92  ARG A C     
479  O  O     . ARG A 75  ? 0.8430 0.4046 0.4640 0.0134  -0.0322 -0.0376 92  ARG A O     
480  C  CB    . ARG A 75  ? 0.8371 0.5193 0.5347 -0.0897 -0.0347 -0.0503 92  ARG A CB    
481  C  CG    . ARG A 75  ? 0.8651 0.5233 0.5372 -0.0927 -0.0236 -0.0432 92  ARG A CG    
482  C  CD    . ARG A 75  ? 0.8624 0.4999 0.5309 -0.1160 -0.0171 -0.0428 92  ARG A CD    
483  N  NE    . ARG A 75  ? 0.8982 0.4999 0.5456 -0.1135 -0.0178 -0.0417 92  ARG A NE    
484  C  CZ    . ARG A 75  ? 0.9267 0.4879 0.5736 -0.1165 -0.0112 -0.0343 92  ARG A CZ    
485  N  NH1   . ARG A 75  ? 0.9409 0.4839 0.5956 -0.1215 0.0090  -0.0333 92  ARG A NH1   
486  N  NH2   . ARG A 75  ? 0.9677 0.4903 0.5868 -0.1124 -0.0097 -0.0398 92  ARG A NH2   
487  N  N     . GLY A 76  ? 0.8228 0.4048 0.4173 0.0075  0.0035  -0.0123 93  GLY A N     
488  C  CA    . GLY A 76  ? 0.8233 0.4351 0.3944 0.0207  0.0058  -0.0128 93  GLY A CA    
489  C  C     . GLY A 76  ? 0.7621 0.4524 0.3946 0.0158  0.0040  -0.0157 93  GLY A C     
490  O  O     . GLY A 76  ? 0.7787 0.5029 0.4062 0.0117  0.0122  -0.0170 93  GLY A O     
491  N  N     . ALA A 77  ? 0.7284 0.4601 0.3948 -0.0005 -0.0015 -0.0096 94  ALA A N     
492  C  CA    . ALA A 77  ? 0.7069 0.4627 0.4026 -0.0074 -0.0033 -0.0015 94  ALA A CA    
493  C  C     . ALA A 77  ? 0.7049 0.4487 0.4271 0.0051  -0.0024 -0.0130 94  ALA A C     
494  O  O     . ALA A 77  ? 0.6929 0.3650 0.4695 -0.0176 -0.0067 0.0302  94  ALA A O     
495  C  CB    . ALA A 77  ? 0.6817 0.4389 0.4062 -0.0242 -0.0147 0.0035  94  ALA A CB    
496  N  N     . ALA A 78  ? 0.7306 0.4736 0.4255 0.0223  0.0190  -0.0348 95  ALA A N     
497  C  CA    . ALA A 78  ? 0.7426 0.5142 0.4490 0.0405  0.0198  -0.0611 95  ALA A CA    
498  C  C     . ALA A 78  ? 0.7553 0.5242 0.4385 0.0413  -0.0013 -0.0780 95  ALA A C     
499  O  O     . ALA A 78  ? 0.7345 0.5014 0.4791 0.0724  -0.0297 -0.1414 95  ALA A O     
500  C  CB    . ALA A 78  ? 0.7419 0.5282 0.4690 0.0414  0.0379  -0.0715 95  ALA A CB    
501  N  N     . ALA A 79  ? 0.7735 0.5383 0.4270 0.0254  -0.0127 -0.0552 96  ALA A N     
502  C  CA    . ALA A 79  ? 0.7332 0.5461 0.4486 0.0162  -0.0146 -0.0328 96  ALA A CA    
503  C  C     . ALA A 79  ? 0.7181 0.5457 0.4497 0.0128  -0.0197 -0.0423 96  ALA A C     
504  O  O     . ALA A 79  ? 0.7531 0.5557 0.4310 -0.0170 -0.0238 -0.0645 96  ALA A O     
505  C  CB    . ALA A 79  ? 0.7453 0.5558 0.4635 -0.0116 -0.0047 -0.0172 96  ALA A CB    
506  N  N     . ALA A 80  ? 0.6960 0.5165 0.4764 0.0366  -0.0202 -0.0405 97  ALA A N     
507  C  CA    . ALA A 80  ? 0.6758 0.5109 0.4849 0.0281  -0.0136 -0.0314 97  ALA A CA    
508  C  C     . ALA A 80  ? 0.6553 0.5359 0.4501 0.0230  -0.0270 -0.0527 97  ALA A C     
509  O  O     . ALA A 80  ? 0.6651 0.5507 0.4109 0.0219  -0.0238 -0.0593 97  ALA A O     
510  C  CB    . ALA A 80  ? 0.6634 0.4506 0.4799 0.0290  -0.0096 -0.0301 97  ALA A CB    
511  N  N     . LEU A 81  ? 0.6538 0.5278 0.4414 0.0264  -0.0120 -0.0293 98  LEU A N     
512  C  CA    . LEU A 81  ? 0.6495 0.5331 0.4244 0.0227  -0.0144 -0.0234 98  LEU A CA    
513  C  C     . LEU A 81  ? 0.6520 0.5471 0.4545 0.0439  -0.0299 -0.0127 98  LEU A C     
514  O  O     . LEU A 81  ? 0.6569 0.5088 0.3861 0.0697  -0.0577 -0.0151 98  LEU A O     
515  C  CB    . LEU A 81  ? 0.6790 0.5458 0.4383 -0.0039 -0.0211 -0.0300 98  LEU A CB    
516  C  CG    . LEU A 81  ? 0.6991 0.5655 0.4650 -0.0181 -0.0250 -0.0356 98  LEU A CG    
517  C  CD1   . LEU A 81  ? 0.7367 0.5734 0.4928 -0.0335 -0.0030 -0.0410 98  LEU A CD1   
518  C  CD2   . LEU A 81  ? 0.6986 0.5599 0.4450 -0.0135 -0.0351 -0.0162 98  LEU A CD2   
519  N  N     . VAL A 82  ? 0.6578 0.5673 0.4863 0.0450  0.0044  -0.0168 99  VAL A N     
520  C  CA    . VAL A 82  ? 0.6379 0.5440 0.4851 0.0237  0.0117  -0.0182 99  VAL A CA    
521  C  C     . VAL A 82  ? 0.6212 0.5339 0.4942 0.0143  -0.0152 -0.0440 99  VAL A C     
522  O  O     . VAL A 82  ? 0.6475 0.5031 0.5208 -0.0046 0.0012  -0.0399 99  VAL A O     
523  C  CB    . VAL A 82  ? 0.6428 0.5460 0.4574 0.0229  0.0489  -0.0175 99  VAL A CB    
524  C  CG1   . VAL A 82  ? 0.6484 0.5619 0.4773 0.0163  0.0542  -0.0219 99  VAL A CG1   
525  C  CG2   . VAL A 82  ? 0.6375 0.5442 0.4487 0.0280  0.0564  -0.0099 99  VAL A CG2   
526  N  N     . VAL A 83  ? 0.6078 0.5314 0.5208 0.0081  -0.0426 -0.0733 100 VAL A N     
527  C  CA    . VAL A 83  ? 0.6233 0.5105 0.5217 0.0078  -0.0518 -0.0620 100 VAL A CA    
528  C  C     . VAL A 83  ? 0.6171 0.5291 0.5501 0.0306  -0.0494 -0.0576 100 VAL A C     
529  O  O     . VAL A 83  ? 0.6148 0.5021 0.5692 0.0579  -0.0705 -0.0980 100 VAL A O     
530  C  CB    . VAL A 83  ? 0.6532 0.5184 0.5299 0.0124  -0.0646 -0.0542 100 VAL A CB    
531  C  CG1   . VAL A 83  ? 0.6998 0.5444 0.5409 0.0199  -0.0696 -0.0659 100 VAL A CG1   
532  C  CG2   . VAL A 83  ? 0.6477 0.4981 0.5256 0.0140  -0.0698 -0.0381 100 VAL A CG2   
533  N  N     . PHE A 84  ? 0.6111 0.5198 0.5223 0.0289  -0.0319 -0.0321 101 PHE A N     
534  C  CA    . PHE A 84  ? 0.6353 0.5338 0.5192 0.0434  -0.0171 -0.0099 101 PHE A CA    
535  C  C     . PHE A 84  ? 0.6531 0.5504 0.4944 0.0632  -0.0180 -0.0017 101 PHE A C     
536  O  O     . PHE A 84  ? 0.6511 0.5144 0.4624 0.0575  -0.0073 0.0046  101 PHE A O     
537  C  CB    . PHE A 84  ? 0.6393 0.5216 0.5125 0.0307  -0.0069 0.0111  101 PHE A CB    
538  C  CG    . PHE A 84  ? 0.6503 0.5154 0.4530 0.0341  -0.0165 0.0467  101 PHE A CG    
539  C  CD1   . PHE A 84  ? 0.6400 0.5038 0.4342 0.0225  -0.0160 0.0407  101 PHE A CD1   
540  C  CD2   . PHE A 84  ? 0.6937 0.5050 0.4279 0.0261  -0.0336 0.0869  101 PHE A CD2   
541  C  CE1   . PHE A 84  ? 0.6525 0.4976 0.3941 0.0128  -0.0361 0.0482  101 PHE A CE1   
542  C  CE2   . PHE A 84  ? 0.6903 0.4908 0.3780 0.0181  -0.0432 0.0970  101 PHE A CE2   
543  C  CZ    . PHE A 84  ? 0.6734 0.4820 0.3653 0.0098  -0.0412 0.0678  101 PHE A CZ    
544  N  N     . ASP A 85  ? 0.6797 0.5556 0.5176 0.0970  -0.0326 0.0035  102 ASP A N     
545  C  CA    . ASP A 85  ? 0.7173 0.5319 0.5161 0.0968  -0.0566 0.0089  102 ASP A CA    
546  C  C     . ASP A 85  ? 0.7254 0.4813 0.5172 0.0797  -0.0607 0.0206  102 ASP A C     
547  O  O     . ASP A 85  ? 0.6693 0.4943 0.5187 0.0517  -0.0608 -0.0502 102 ASP A O     
548  C  CB    . ASP A 85  ? 0.7346 0.5605 0.5659 0.1370  -0.0682 -0.0059 102 ASP A CB    
549  C  CG    . ASP A 85  ? 0.7808 0.5657 0.5995 0.1641  -0.0839 -0.0072 102 ASP A CG    
550  O  OD1   . ASP A 85  ? 0.8102 0.5090 0.6131 0.1611  -0.1003 0.0174  102 ASP A OD1   
551  O  OD2   . ASP A 85  ? 0.8000 0.6064 0.6116 0.1877  -0.1162 -0.0145 102 ASP A OD2   
552  N  N     . ILE A 86  ? 0.7830 0.4677 0.4994 0.0779  -0.0490 0.0392  103 ILE A N     
553  C  CA    . ILE A 86  ? 0.8028 0.4663 0.4594 0.0818  -0.0360 0.0523  103 ILE A CA    
554  C  C     . ILE A 86  ? 0.8195 0.4453 0.4755 0.0939  -0.0154 0.0537  103 ILE A C     
555  O  O     . ILE A 86  ? 0.8064 0.3120 0.4977 0.1019  -0.0021 0.0648  103 ILE A O     
556  C  CB    . ILE A 86  ? 0.8333 0.4773 0.4701 0.0749  -0.0349 0.0175  103 ILE A CB    
557  C  CG1   . ILE A 86  ? 0.8458 0.4817 0.4929 0.0620  -0.0168 0.0286  103 ILE A CG1   
558  C  CG2   . ILE A 86  ? 0.8991 0.4617 0.4744 0.0912  -0.0410 -0.0022 103 ILE A CG2   
559  C  CD1   . ILE A 86  ? 0.8206 0.4777 0.5040 0.0414  0.0023  0.0491  103 ILE A CD1   
560  N  N     . VAL A 87  ? 0.8136 0.5172 0.4857 0.1027  -0.0263 0.0167  104 VAL A N     
561  C  CA    . VAL A 87  ? 0.8618 0.5695 0.5182 0.1073  -0.0219 -0.0121 104 VAL A CA    
562  C  C     . VAL A 87  ? 0.8224 0.6020 0.5550 0.1039  -0.0140 -0.0087 104 VAL A C     
563  O  O     . VAL A 87  ? 0.8226 0.5965 0.6043 0.1217  -0.0025 -0.0106 104 VAL A O     
564  C  CB    . VAL A 87  ? 0.9258 0.6093 0.5304 0.1101  -0.0403 -0.0180 104 VAL A CB    
565  C  CG1   . VAL A 87  ? 0.9695 0.5780 0.5057 0.0830  -0.0449 -0.0130 104 VAL A CG1   
566  C  CG2   . VAL A 87  ? 0.8998 0.6718 0.5929 0.1199  -0.0607 -0.0285 104 VAL A CG2   
567  N  N     . SER A 88  ? 0.7833 0.6182 0.5774 0.0950  -0.0217 -0.0035 105 SER A N     
568  C  CA    . SER A 88  ? 0.7730 0.6550 0.6615 0.0901  0.0054  -0.0047 105 SER A CA    
569  C  C     . SER A 88  ? 0.7878 0.6290 0.6405 0.0604  0.0203  0.0183  105 SER A C     
570  O  O     . SER A 88  ? 0.8111 0.6192 0.5634 0.0317  0.0017  0.0157  105 SER A O     
571  C  CB    . SER A 88  ? 0.7413 0.6877 0.7262 0.0734  -0.0038 -0.0228 105 SER A CB    
572  O  OG    . SER A 88  ? 0.7295 0.7681 0.8148 0.0585  0.0327  -0.0134 105 SER A OG    
573  N  N     . ALA A 89  ? 0.8062 0.6287 0.6513 0.0677  0.0583  0.0195  106 ALA A N     
574  C  CA    . ALA A 89  ? 0.7926 0.6051 0.6465 0.0443  0.0655  0.0002  106 ALA A CA    
575  C  C     . ALA A 89  ? 0.7643 0.5827 0.6458 0.0343  0.0811  -0.0177 106 ALA A C     
576  O  O     . ALA A 89  ? 0.7814 0.4566 0.5963 0.0011  0.1483  -0.0749 106 ALA A O     
577  C  CB    . ALA A 89  ? 0.8314 0.5865 0.6605 0.0601  0.0782  -0.0208 106 ALA A CB    
578  N  N     . ASP A 90  ? 0.7413 0.6152 0.7066 0.0193  0.0632  -0.0304 107 ASP A N     
579  C  CA    . ASP A 90  ? 0.6949 0.6440 0.7876 0.0057  0.0547  0.0022  107 ASP A CA    
580  C  C     . ASP A 90  ? 0.6367 0.5959 0.7929 -0.0062 0.0323  0.0067  107 ASP A C     
581  O  O     . ASP A 90  ? 0.6060 0.5591 0.8197 -0.0474 0.0360  -0.0244 107 ASP A O     
582  C  CB    . ASP A 90  ? 0.7054 0.7427 0.8730 0.0157  0.0337  0.0000  107 ASP A CB    
583  C  CG    . ASP A 90  ? 0.6947 0.8314 0.9594 -0.0075 0.0475  -0.0030 107 ASP A CG    
584  O  OD2   . ASP A 90  ? 0.6686 0.9049 1.0174 -0.0131 -0.0160 -0.0336 107 ASP A OD2   
585  N  N     . THR A 91  ? 0.6142 0.5841 0.7674 0.0195  0.0127  0.0000  108 THR A N     
586  C  CA    . THR A 91  ? 0.6031 0.5527 0.7527 0.0203  0.0053  0.0074  108 THR A CA    
587  C  C     . THR A 91  ? 0.6283 0.5471 0.7059 0.0255  0.0245  0.0603  108 THR A C     
588  O  O     . THR A 91  ? 0.6095 0.5322 0.7263 0.0361  0.0126  0.1156  108 THR A O     
589  C  CB    . THR A 91  ? 0.5938 0.5205 0.7509 0.0403  -0.0258 0.0078  108 THR A CB    
590  O  OG1   . THR A 91  ? 0.6008 0.4830 0.7326 0.0592  -0.0054 0.0517  108 THR A OG1   
591  C  CG2   . THR A 91  ? 0.6142 0.5682 0.8012 0.0575  -0.0392 -0.0158 108 THR A CG2   
592  N  N     . PHE A 92  ? 0.6633 0.5662 0.6838 0.0374  0.0548  0.0828  109 PHE A N     
593  C  CA    . PHE A 92  ? 0.6548 0.5624 0.6633 0.0349  0.0698  0.0861  109 PHE A CA    
594  C  C     . PHE A 92  ? 0.6754 0.5689 0.6897 0.0265  0.1010  0.0802  109 PHE A C     
595  O  O     . PHE A 92  ? 0.6515 0.5390 0.6213 0.0204  0.1320  0.0788  109 PHE A O     
596  C  CB    . PHE A 92  ? 0.6978 0.5594 0.6285 0.0599  0.0778  0.0820  109 PHE A CB    
597  C  CG    . PHE A 92  ? 0.7285 0.5987 0.5844 0.0772  0.0735  0.0797  109 PHE A CG    
598  C  CD1   . PHE A 92  ? 0.7182 0.6284 0.5652 0.0771  0.0538  0.0748  109 PHE A CD1   
599  C  CD2   . PHE A 92  ? 0.7825 0.6475 0.6000 0.0943  0.0874  0.1002  109 PHE A CD2   
600  C  CE1   . PHE A 92  ? 0.7434 0.6351 0.5373 0.0853  0.0605  0.0683  109 PHE A CE1   
601  C  CE2   . PHE A 92  ? 0.8059 0.6685 0.5793 0.0980  0.0737  0.1021  109 PHE A CE2   
602  C  CZ    . PHE A 92  ? 0.7953 0.6392 0.5324 0.0906  0.0625  0.0847  109 PHE A CZ    
603  N  N     . GLU A 93  ? 0.6961 0.6102 0.7573 0.0149  0.1200  0.0675  110 GLU A N     
604  C  CA    . GLU A 93  ? 0.7105 0.6026 0.7762 -0.0178 0.1623  0.0339  110 GLU A CA    
605  C  C     . GLU A 93  ? 0.7214 0.5889 0.7840 -0.0368 0.1209  0.0251  110 GLU A C     
606  O  O     . GLU A 93  ? 0.7852 0.5461 0.8049 -0.0812 0.1230  0.0397  110 GLU A O     
607  C  CB    . GLU A 93  ? 0.7041 0.6525 0.8386 -0.0227 0.2186  0.0228  110 GLU A CB    
608  C  CG    . GLU A 93  ? 0.7182 0.6426 0.8026 -0.0174 0.2402  0.0275  110 GLU A CG    
609  N  N     . LYS A 94  ? 0.6891 0.5702 0.7735 -0.0240 0.0967  -0.0193 111 LYS A N     
610  C  CA    . LYS A 94  ? 0.6664 0.5748 0.7344 -0.0246 0.0881  -0.0310 111 LYS A CA    
611  C  C     . LYS A 94  ? 0.6372 0.5512 0.6447 -0.0370 0.0667  -0.0219 111 LYS A C     
612  O  O     . LYS A 94  ? 0.6388 0.5645 0.6589 -0.0363 0.0659  -0.0385 111 LYS A O     
613  C  CB    . LYS A 94  ? 0.6541 0.5845 0.7417 -0.0218 0.0678  -0.0758 111 LYS A CB    
614  C  CG    . LYS A 94  ? 0.6537 0.6052 0.7969 -0.0270 0.0960  -0.1110 111 LYS A CG    
615  N  N     . ALA A 95  ? 0.6110 0.5247 0.5759 -0.0127 0.0500  -0.0090 112 ALA A N     
616  C  CA    . ALA A 95  ? 0.5981 0.5120 0.5200 -0.0127 0.0282  0.0000  112 ALA A CA    
617  C  C     . ALA A 95  ? 0.6208 0.4894 0.5170 -0.0172 0.0407  0.0174  112 ALA A C     
618  O  O     . ALA A 95  ? 0.5781 0.4544 0.3971 -0.0233 0.0333  0.0461  112 ALA A O     
619  C  CB    . ALA A 95  ? 0.5762 0.5050 0.4958 -0.0010 0.0123  -0.0107 112 ALA A CB    
620  N  N     . ARG A 96  ? 0.6717 0.4957 0.5451 -0.0100 0.0599  0.0058  113 ARG A N     
621  C  CA    . ARG A 96  ? 0.7338 0.5251 0.5489 0.0027  0.0645  -0.0050 113 ARG A CA    
622  C  C     . ARG A 96  ? 0.7558 0.5139 0.5581 -0.0155 0.0616  -0.0190 113 ARG A C     
623  O  O     . ARG A 96  ? 0.8430 0.4047 0.4537 -0.0189 0.0556  -0.0376 113 ARG A O     
624  C  CB    . ARG A 96  ? 0.7957 0.5558 0.5752 0.0266  0.0932  -0.0348 113 ARG A CB    
625  C  CG    . ARG A 96  ? 0.8249 0.5897 0.5883 0.0249  0.0806  -0.0327 113 ARG A CG    
626  C  CD    . ARG A 96  ? 0.9128 0.6460 0.5999 0.0523  0.0639  -0.0486 113 ARG A CD    
627  N  NE    . ARG A 96  ? 1.0102 0.6757 0.6472 0.0808  0.1056  -0.0745 113 ARG A NE    
628  C  CZ    . ARG A 96  ? 1.0633 0.6977 0.6636 0.0993  0.1119  -0.0963 113 ARG A CZ    
629  N  NH1   . ARG A 96  ? 1.1207 0.6725 0.6210 0.1234  0.1144  -0.1046 113 ARG A NH1   
630  N  N     . TYR A 97  ? 0.7380 0.5452 0.6308 -0.0525 0.0592  -0.0115 114 TYR A N     
631  C  CA    . TYR A 97  ? 0.7372 0.6064 0.7138 -0.0962 0.0447  -0.0051 114 TYR A CA    
632  C  C     . TYR A 97  ? 0.6296 0.6053 0.7187 -0.0775 0.0151  -0.0037 114 TYR A C     
633  O  O     . TYR A 97  ? 0.6415 0.6063 0.7324 -0.0709 0.0200  -0.0360 114 TYR A O     
634  C  CB    . TYR A 97  ? 0.7672 0.7111 0.8231 -0.1156 0.0479  -0.0121 114 TYR A CB    
635  C  CG    . TYR A 97  ? 0.8449 0.8132 0.8944 -0.1736 0.0081  -0.0357 114 TYR A CG    
636  C  CD1   . TYR A 97  ? 0.9323 0.8430 0.9452 -0.2114 0.0120  -0.0566 114 TYR A CD1   
637  C  CD2   . TYR A 97  ? 0.8220 0.8431 0.8872 -0.1951 -0.0536 -0.0371 114 TYR A CD2   
638  C  CE1   . TYR A 97  ? 0.9326 0.9290 0.9667 -0.2186 -0.0269 -0.0787 114 TYR A CE1   
639  C  CE2   . TYR A 97  ? 0.8278 0.8996 0.9187 -0.2208 -0.0852 -0.0550 114 TYR A CE2   
640  C  CZ    . TYR A 97  ? 0.8805 0.9444 0.9698 -0.2343 -0.0754 -0.0886 114 TYR A CZ    
641  O  OH    . TYR A 97  ? 0.9105 1.0446 1.0193 -0.2383 -0.0844 -0.1438 114 TYR A OH    
642  N  N     . TRP A 98  ? 0.5899 0.6052 0.6862 -0.0580 -0.0174 -0.0066 115 TRP A N     
643  C  CA    . TRP A 98  ? 0.6346 0.5930 0.6791 -0.0545 -0.0333 -0.0136 115 TRP A CA    
644  C  C     . TRP A 98  ? 0.6430 0.5412 0.6073 -0.0503 0.0068  0.0128  115 TRP A C     
645  O  O     . TRP A 98  ? 0.6433 0.5508 0.6307 -0.0387 0.0224  0.0320  115 TRP A O     
646  C  CB    . TRP A 98  ? 0.6441 0.5993 0.7311 -0.0447 -0.0782 -0.0083 115 TRP A CB    
647  C  CG    . TRP A 98  ? 0.6899 0.6910 0.7864 -0.0215 -0.1191 -0.0094 115 TRP A CG    
648  C  CD1   . TRP A 98  ? 0.6693 0.7614 0.8103 0.0010  -0.1164 -0.0176 115 TRP A CD1   
649  C  CD2   . TRP A 98  ? 0.7581 0.7573 0.8212 -0.0318 -0.1454 -0.0370 115 TRP A CD2   
650  N  NE1   . TRP A 98  ? 0.6767 0.8188 0.8932 -0.0039 -0.1231 -0.0442 115 TRP A NE1   
651  C  CE2   . TRP A 98  ? 0.7339 0.7974 0.8995 -0.0149 -0.1374 -0.0550 115 TRP A CE2   
652  C  CE3   . TRP A 98  ? 0.8201 0.7940 0.7994 -0.0458 -0.1228 -0.0536 115 TRP A CE3   
653  C  CZ2   . TRP A 98  ? 0.7663 0.8509 0.9805 -0.0446 -0.1443 -0.0756 115 TRP A CZ2   
654  C  CZ3   . TRP A 98  ? 0.8318 0.8350 0.8617 -0.0633 -0.1250 -0.0665 115 TRP A CZ3   
655  C  CH2   . TRP A 98  ? 0.8073 0.8619 0.9593 -0.0608 -0.1319 -0.0711 115 TRP A CH2   
656  N  N     . ILE A 99  ? 0.6335 0.5193 0.5714 -0.0447 0.0494  0.0257  116 ILE A N     
657  C  CA    . ILE A 99  ? 0.6406 0.4820 0.5531 -0.0167 0.0600  0.0330  116 ILE A CA    
658  C  C     . ILE A 99  ? 0.6822 0.4675 0.5436 0.0038  0.0811  0.0194  116 ILE A C     
659  O  O     . ILE A 99  ? 0.7106 0.4529 0.4661 0.0207  0.0849  0.0049  116 ILE A O     
660  C  CB    . ILE A 99  ? 0.6654 0.4858 0.5311 -0.0073 0.0477  0.0329  116 ILE A CB    
661  C  CG1   . ILE A 99  ? 0.6426 0.4807 0.5225 -0.0083 0.0357  0.0209  116 ILE A CG1   
662  C  CG2   . ILE A 99  ? 0.7175 0.4823 0.5075 -0.0050 0.0330  0.0473  116 ILE A CG2   
663  C  CD1   . ILE A 99  ? 0.6372 0.4752 0.5292 -0.0071 0.0316  0.0310  116 ILE A CD1   
664  N  N     . ARG A 100 ? 0.6974 0.4519 0.6124 0.0035  0.1046  0.0354  117 ARG A N     
665  C  CA    . ARG A 100 ? 0.7710 0.4527 0.6410 0.0074  0.1237  0.0355  117 ARG A CA    
666  C  C     . ARG A 100 ? 0.7800 0.4330 0.6593 -0.0207 0.1271  0.0193  117 ARG A C     
667  O  O     . ARG A 100 ? 0.8529 0.3923 0.6539 -0.0405 0.1461  0.0370  117 ARG A O     
668  C  CB    . ARG A 100 ? 0.8062 0.4588 0.6627 0.0170  0.1601  0.0721  117 ARG A CB    
669  N  N     . GLU A 101 ? 0.7292 0.4128 0.6773 -0.0412 0.1147  0.0071  118 GLU A N     
670  C  CA    . GLU A 101 ? 0.7284 0.4249 0.6778 -0.0741 0.0878  0.0063  118 GLU A CA    
671  C  C     . GLU A 101 ? 0.7255 0.4224 0.5667 -0.0765 0.0545  -0.0194 118 GLU A C     
672  O  O     . GLU A 101 ? 0.7485 0.4327 0.5735 -0.0804 0.0609  -0.0672 118 GLU A O     
673  C  CB    . GLU A 101 ? 0.7019 0.4585 0.7491 -0.0803 0.0620  0.0073  118 GLU A CB    
674  C  CG    . GLU A 101 ? 0.7283 0.5346 0.8396 -0.1038 0.0810  0.0111  118 GLU A CG    
675  C  CD    . GLU A 101 ? 0.7953 0.5835 0.9221 -0.1163 0.0847  0.0151  118 GLU A CD    
676  O  OE1   . GLU A 101 ? 0.8020 0.6585 0.9514 -0.0885 0.0706  0.0191  118 GLU A OE1   
677  O  OE2   . GLU A 101 ? 0.8353 0.6873 0.9380 -0.1344 0.1201  0.0184  118 GLU A OE2   
678  N  N     . LEU A 102 ? 0.6934 0.4040 0.4597 -0.0638 0.0357  -0.0289 119 LEU A N     
679  C  CA    . LEU A 102 ? 0.7043 0.4115 0.4189 -0.0629 0.0423  -0.0346 119 LEU A CA    
680  C  C     . LEU A 102 ? 0.7500 0.4003 0.4142 -0.0585 0.0616  -0.0077 119 LEU A C     
681  O  O     . LEU A 102 ? 0.7663 0.4399 0.3588 -0.0631 0.0801  -0.0007 119 LEU A O     
682  C  CB    . LEU A 102 ? 0.6578 0.4154 0.4236 -0.0528 0.0226  -0.0419 119 LEU A CB    
683  C  CG    . LEU A 102 ? 0.6334 0.4425 0.4738 -0.0447 0.0216  -0.0152 119 LEU A CG    
684  C  CD1   . LEU A 102 ? 0.6084 0.4468 0.4858 -0.0236 0.0154  -0.0208 119 LEU A CD1   
685  C  CD2   . LEU A 102 ? 0.6512 0.4500 0.4729 -0.0449 0.0176  -0.0046 119 LEU A CD2   
686  N  N     . GLN A 103 ? 0.7790 0.3921 0.4434 -0.0514 0.0491  -0.0051 120 GLN A N     
687  C  CA    . GLN A 103 ? 0.8518 0.4240 0.4398 0.0001  0.0295  0.0027  120 GLN A CA    
688  C  C     . GLN A 103 ? 0.9118 0.4274 0.3968 0.0054  0.0439  -0.0187 120 GLN A C     
689  O  O     . GLN A 103 ? 0.9683 0.3726 0.3401 0.0311  0.0412  -0.0329 120 GLN A O     
690  C  CB    . GLN A 103 ? 0.8939 0.4653 0.4484 0.0156  0.0110  0.0059  120 GLN A CB    
691  C  CG    . GLN A 103 ? 0.8619 0.5228 0.4946 -0.0007 -0.0132 0.0030  120 GLN A CG    
692  C  CD    . GLN A 103 ? 0.9054 0.5835 0.5268 0.0245  -0.0335 -0.0143 120 GLN A CD    
693  O  OE1   . GLN A 103 ? 0.9426 0.6093 0.6075 0.0657  0.0254  0.0309  120 GLN A OE1   
694  N  NE2   . GLN A 103 ? 0.9028 0.6295 0.5543 0.0157  -0.0463 -0.0095 120 GLN A NE2   
695  N  N     . ALA A 104 ? 0.9105 0.4207 0.4101 -0.0027 0.0697  -0.0267 121 ALA A N     
696  C  CA    . ALA A 104 ? 0.9670 0.4309 0.4402 -0.0002 0.1016  -0.0236 121 ALA A CA    
697  C  C     . ALA A 104 ? 0.9431 0.4149 0.4709 -0.0028 0.0993  -0.0268 121 ALA A C     
698  O  O     . ALA A 104 ? 0.9526 0.4061 0.5027 0.0037  0.1068  -0.0580 121 ALA A O     
699  C  CB    . ALA A 104 ? 0.9906 0.4413 0.4605 -0.0193 0.1324  -0.0284 121 ALA A CB    
700  N  N     . ASN A 105 ? 0.8927 0.3893 0.4575 -0.0266 0.1034  -0.0100 122 ASN A N     
701  C  CA    . ASN A 105 ? 0.9049 0.3818 0.4566 -0.0376 0.0836  -0.0020 122 ASN A CA    
702  C  C     . ASN A 105 ? 0.8724 0.4034 0.4489 -0.0200 0.0692  -0.0075 122 ASN A C     
703  O  O     . ASN A 105 ? 0.8552 0.4285 0.4295 -0.0353 0.0857  -0.0086 122 ASN A O     
704  C  CB    . ASN A 105 ? 0.8911 0.3790 0.4707 -0.0571 0.0816  -0.0026 122 ASN A CB    
705  C  CG    . ASN A 105 ? 0.9213 0.4027 0.4710 -0.0724 0.0984  -0.0149 122 ASN A CG    
706  O  OD1   . ASN A 105 ? 0.9927 0.4230 0.4315 -0.0757 0.1091  -0.0104 122 ASN A OD1   
707  N  ND2   . ASN A 105 ? 0.8891 0.4273 0.5028 -0.0828 0.0963  -0.0122 122 ASN A ND2   
708  N  N     . SER A 106 ? 0.8610 0.4194 0.4750 -0.0087 0.0710  -0.0059 123 SER A N     
709  C  CA    . SER A 106 ? 0.8629 0.4636 0.4738 -0.0117 0.0549  -0.0126 123 SER A CA    
710  C  C     . SER A 106 ? 0.8159 0.5244 0.5192 0.0250  0.0243  0.0213  123 SER A C     
711  O  O     . SER A 106 ? 0.7153 0.5211 0.5505 0.0553  0.0008  0.0284  123 SER A O     
712  C  CB    . SER A 106 ? 0.8561 0.4717 0.4615 -0.0379 0.0466  -0.0318 123 SER A CB    
713  O  OG    . SER A 106 ? 0.8871 0.4779 0.4121 -0.0390 0.0461  -0.0358 123 SER A OG    
714  N  N     . PRO A 107 ? 0.8731 0.5458 0.5273 0.0171  0.0318  0.0419  124 PRO A N     
715  C  CA    . PRO A 107 ? 0.8912 0.5840 0.4855 0.0379  0.0298  0.0382  124 PRO A CA    
716  C  C     . PRO A 107 ? 0.8522 0.6301 0.5091 0.0344  0.0121  0.0236  124 PRO A C     
717  O  O     . PRO A 107 ? 0.8192 0.6359 0.4867 0.0258  -0.0217 0.0505  124 PRO A O     
718  C  CB    . PRO A 107 ? 0.9560 0.5787 0.4606 0.0612  0.0429  0.0476  124 PRO A CB    
719  C  CG    . PRO A 107 ? 0.9861 0.5763 0.4692 0.0419  0.0711  0.0421  124 PRO A CG    
720  C  CD    . PRO A 107 ? 0.9381 0.5524 0.5162 0.0196  0.0536  0.0395  124 PRO A CD    
721  N  N     . GLU A 108 ? 0.8355 0.6395 0.5442 0.0529  0.0478  0.0117  125 GLU A N     
722  C  CA    . GLU A 108 ? 0.8015 0.6572 0.5669 0.0589  0.0274  -0.0072 125 GLU A CA    
723  C  C     . GLU A 108 ? 0.7364 0.6648 0.5371 0.0650  0.0116  -0.0081 125 GLU A C     
724  O  O     . GLU A 108 ? 0.7485 0.7253 0.5270 0.0757  0.0107  0.0108  125 GLU A O     
725  C  CB    . GLU A 108 ? 0.8415 0.6706 0.5779 0.0537  0.0364  -0.0249 125 GLU A CB    
726  N  N     . THR A 109 ? 0.7128 0.5963 0.5060 0.0425  0.0175  -0.0254 126 THR A N     
727  C  CA    . THR A 109 ? 0.6635 0.5827 0.4893 0.0393  0.0157  -0.0280 126 THR A CA    
728  C  C     . THR A 109 ? 0.6554 0.5896 0.4783 0.0420  0.0164  -0.0312 126 THR A C     
729  O  O     . THR A 109 ? 0.6953 0.5483 0.4918 0.0449  0.0307  -0.0862 126 THR A O     
730  C  CB    . THR A 109 ? 0.6548 0.5563 0.5102 0.0269  0.0153  -0.0123 126 THR A CB    
731  O  OG1   . THR A 109 ? 0.6664 0.5256 0.5171 0.0488  0.0173  -0.0202 126 THR A OG1   
732  C  CG2   . THR A 109 ? 0.6160 0.5559 0.5229 0.0199  0.0071  -0.0095 126 THR A CG2   
733  N  N     . VAL A 110 ? 0.6212 0.5923 0.4322 0.0433  0.0033  -0.0370 127 VAL A N     
734  C  CA    . VAL A 110 ? 0.5828 0.6238 0.4175 0.0399  -0.0100 -0.0596 127 VAL A CA    
735  C  C     . VAL A 110 ? 0.5418 0.6384 0.4510 0.0274  -0.0005 -0.0659 127 VAL A C     
736  O  O     . VAL A 110 ? 0.4882 0.6195 0.4838 0.0373  0.0116  -0.0670 127 VAL A O     
737  C  CB    . VAL A 110 ? 0.5479 0.6382 0.4167 0.0361  -0.0079 -0.0774 127 VAL A CB    
738  C  CG1   . VAL A 110 ? 0.5420 0.6541 0.4520 -0.0076 -0.0090 -0.0723 127 VAL A CG1   
739  C  CG2   . VAL A 110 ? 0.5532 0.6639 0.4010 0.0633  -0.0120 -0.0928 127 VAL A CG2   
740  N  N     . VAL A 111 ? 0.5467 0.6404 0.4839 0.0404  -0.0037 -0.0791 128 VAL A N     
741  C  CA    . VAL A 111 ? 0.5479 0.6020 0.4977 0.0296  -0.0103 -0.0729 128 VAL A CA    
742  C  C     . VAL A 111 ? 0.5377 0.5693 0.4458 0.0198  -0.0170 -0.0794 128 VAL A C     
743  O  O     . VAL A 111 ? 0.5528 0.5009 0.4691 0.0229  -0.0349 -0.1178 128 VAL A O     
744  C  CB    . VAL A 111 ? 0.5907 0.6337 0.5483 0.0491  0.0211  -0.0862 128 VAL A CB    
745  C  CG1   . VAL A 111 ? 0.6005 0.6622 0.5750 0.0516  0.0218  -0.0973 128 VAL A CG1   
746  C  CG2   . VAL A 111 ? 0.6181 0.6152 0.5893 0.0570  0.0337  -0.0748 128 VAL A CG2   
747  N  N     . MET A 112 ? 0.5422 0.5387 0.4378 0.0135  -0.0051 -0.0933 129 MET A N     
748  C  CA    . MET A 112 ? 0.5531 0.5337 0.4578 -0.0009 0.0041  -0.0764 129 MET A CA    
749  C  C     . MET A 112 ? 0.5644 0.5477 0.4735 -0.0203 -0.0090 -0.0559 129 MET A C     
750  O  O     . MET A 112 ? 0.5373 0.5046 0.4317 -0.0409 -0.0185 -0.0947 129 MET A O     
751  C  CB    . MET A 112 ? 0.5364 0.5330 0.4908 -0.0128 0.0183  -0.0746 129 MET A CB    
752  C  CG    . MET A 112 ? 0.5496 0.5526 0.5205 -0.0130 0.0186  -0.0442 129 MET A CG    
753  S  SD    . MET A 112 ? 0.5793 0.5553 0.5564 -0.0334 0.0244  -0.0208 129 MET A SD    
754  C  CE    . MET A 112 ? 0.5912 0.5560 0.5703 -0.0508 -0.0043 -0.0281 129 MET A CE    
755  N  N     . LEU A 113 ? 0.6003 0.5344 0.4903 -0.0296 0.0028  -0.0342 130 LEU A N     
756  C  CA    . LEU A 113 ? 0.5841 0.5203 0.5009 -0.0384 -0.0172 -0.0155 130 LEU A CA    
757  C  C     . LEU A 113 ? 0.5944 0.5281 0.5026 -0.0565 -0.0420 -0.0049 130 LEU A C     
758  O  O     . LEU A 113 ? 0.5781 0.5077 0.5475 -0.0465 -0.0367 0.0104  130 LEU A O     
759  C  CB    . LEU A 113 ? 0.5990 0.5140 0.4796 -0.0398 -0.0251 -0.0298 130 LEU A CB    
760  C  CG    . LEU A 113 ? 0.5970 0.5324 0.4900 -0.0525 -0.0127 -0.0284 130 LEU A CG    
761  C  CD1   . LEU A 113 ? 0.5991 0.5249 0.4994 -0.0488 -0.0079 -0.0267 130 LEU A CD1   
762  C  CD2   . LEU A 113 ? 0.6352 0.5495 0.5115 -0.0536 0.0090  -0.0257 130 LEU A CD2   
763  N  N     . VAL A 114 ? 0.5963 0.5444 0.4852 -0.0796 -0.0574 -0.0114 131 VAL A N     
764  C  CA    . VAL A 114 ? 0.6015 0.5309 0.4973 -0.0715 -0.0615 -0.0050 131 VAL A CA    
765  C  C     . VAL A 114 ? 0.5829 0.5530 0.4682 -0.0695 -0.0729 0.0113  131 VAL A C     
766  O  O     . VAL A 114 ? 0.5986 0.6200 0.4977 -0.0801 -0.0833 0.0352  131 VAL A O     
767  C  CB    . VAL A 114 ? 0.6209 0.5586 0.5024 -0.0557 -0.0636 0.0404  131 VAL A CB    
768  C  CG1   . VAL A 114 ? 0.6500 0.5466 0.5395 -0.0631 -0.0656 0.0458  131 VAL A CG1   
769  C  CG2   . VAL A 114 ? 0.6243 0.5948 0.5116 -0.0519 -0.0437 0.0183  131 VAL A CG2   
770  N  N     . GLY A 115 ? 0.6195 0.5254 0.4316 -0.0566 -0.0467 0.0129  132 GLY A N     
771  C  CA    . GLY A 115 ? 0.6470 0.5101 0.4125 -0.0329 -0.0415 0.0038  132 GLY A CA    
772  C  C     . GLY A 115 ? 0.6915 0.4999 0.4019 -0.0265 -0.0314 -0.0068 132 GLY A C     
773  O  O     . GLY A 115 ? 0.7236 0.4660 0.4205 -0.0321 -0.0195 -0.0327 132 GLY A O     
774  N  N     . ASN A 116 ? 0.7202 0.4796 0.3957 -0.0180 -0.0422 -0.0241 133 ASN A N     
775  C  CA    . ASN A 116 ? 0.7797 0.4542 0.4169 0.0112  -0.0372 -0.0166 133 ASN A CA    
776  C  C     . ASN A 116 ? 0.8418 0.4016 0.4368 0.0201  -0.0285 -0.0331 133 ASN A C     
777  O  O     . ASN A 116 ? 0.8534 0.3198 0.4168 0.0164  -0.0207 -0.0888 133 ASN A O     
778  C  CB    . ASN A 116 ? 0.7777 0.4608 0.3777 0.0267  -0.0531 -0.0019 133 ASN A CB    
779  C  CG    . ASN A 116 ? 0.8146 0.4781 0.3330 0.0383  -0.0719 -0.0112 133 ASN A CG    
780  O  OD1   . ASN A 116 ? 0.8608 0.4644 0.2586 0.0233  -0.0945 0.0362  133 ASN A OD1   
781  N  ND2   . ASN A 116 ? 0.8197 0.4824 0.3352 0.0590  -0.0764 -0.0182 133 ASN A ND2   
782  N  N     . LYS A 117 ? 0.8803 0.4001 0.4628 0.0361  -0.0280 0.0078  134 LYS A N     
783  C  CA    . LYS A 117 ? 0.9144 0.4457 0.4571 0.0757  -0.0371 0.0661  134 LYS A CA    
784  C  C     . LYS A 117 ? 0.9592 0.3723 0.4016 0.0608  -0.0001 0.0643  134 LYS A C     
785  O  O     . LYS A 117 ? 1.0115 0.3749 0.4166 0.0633  0.0017  0.0426  134 LYS A O     
786  C  CB    . LYS A 117 ? 0.9042 0.5178 0.5057 0.1163  -0.0520 0.0850  134 LYS A CB    
787  C  CG    . LYS A 117 ? 0.9096 0.5294 0.5562 0.1464  -0.0755 0.0768  134 LYS A CG    
788  C  CD    . LYS A 117 ? 0.8658 0.5169 0.5846 0.1531  -0.0675 0.0821  134 LYS A CD    
789  C  CE    . LYS A 117 ? 0.8669 0.5695 0.6381 0.1855  -0.0751 0.0762  134 LYS A CE    
790  N  NZ    . LYS A 117 ? 0.8602 0.5978 0.6732 0.2130  -0.0588 0.0627  134 LYS A NZ    
791  N  N     . LYS A 118 ? 0.9593 0.3369 0.3404 0.0228  -0.0032 0.0715  135 LYS A N     
792  C  CA    . LYS A 118 ? 0.9867 0.3823 0.3782 0.0021  -0.0045 0.0544  135 LYS A CA    
793  C  C     . LYS A 118 ? 1.0618 0.4148 0.4518 -0.0063 -0.0065 0.0440  135 LYS A C     
794  O  O     . LYS A 118 ? 1.1323 0.4176 0.5116 -0.0478 -0.0044 0.0272  135 LYS A O     
795  C  CB    . LYS A 118 ? 0.9761 0.3757 0.3998 -0.0144 0.0070  0.0600  135 LYS A CB    
796  C  CG    . LYS A 118 ? 1.0291 0.4237 0.4317 -0.0184 0.0063  0.0617  135 LYS A CG    
797  C  CD    . LYS A 118 ? 1.0236 0.4575 0.4888 -0.0401 -0.0096 0.0500  135 LYS A CD    
798  C  CE    . LYS A 118 ? 1.0322 0.4854 0.5421 -0.0703 -0.0238 0.0461  135 LYS A CE    
799  N  N     . ASP A 119 ? 1.0562 0.4400 0.5169 0.0214  -0.0421 0.0319  136 ASP A N     
800  C  CA    . ASP A 119 ? 1.1166 0.4234 0.5728 0.0340  -0.0333 0.0315  136 ASP A CA    
801  C  C     . ASP A 119 ? 1.1218 0.4821 0.5722 0.0467  -0.0284 0.0060  136 ASP A C     
802  O  O     . ASP A 119 ? 1.1503 0.4739 0.5669 0.0281  -0.0062 -0.0040 136 ASP A O     
803  C  CB    . ASP A 119 ? 1.1645 0.3993 0.5809 0.0751  -0.0413 0.0419  136 ASP A CB    
804  C  CG    . ASP A 119 ? 1.1093 0.4420 0.6390 0.1156  -0.0705 0.0660  136 ASP A CG    
805  O  OD1   . ASP A 119 ? 1.0655 0.4663 0.6891 0.0871  -0.0655 0.1264  136 ASP A OD1   
806  O  OD2   . ASP A 119 ? 1.1726 0.3342 0.6519 0.1917  -0.1120 0.0838  136 ASP A OD2   
807  N  N     . LEU A 120 ? 1.0767 0.5054 0.5872 0.0548  -0.0449 0.0040  137 LEU A N     
808  C  CA    . LEU A 120 ? 1.0958 0.5752 0.5929 0.0780  -0.0556 0.0050  137 LEU A CA    
809  C  C     . LEU A 120 ? 1.0912 0.5969 0.5899 0.0760  -0.0496 0.0127  137 LEU A C     
810  O  O     . LEU A 120 ? 1.0386 0.5928 0.5785 0.1215  -0.0331 0.0178  137 LEU A O     
811  C  CB    . LEU A 120 ? 1.0504 0.5854 0.5815 0.0963  -0.0751 -0.0058 137 LEU A CB    
812  C  CG    . LEU A 120 ? 1.0370 0.6063 0.5682 0.1092  -0.1103 -0.0097 137 LEU A CG    
813  C  CD1   . LEU A 120 ? 0.9845 0.6552 0.5612 0.1209  -0.1278 -0.0399 137 LEU A CD1   
814  C  CD2   . LEU A 120 ? 1.1176 0.6282 0.5673 0.1529  -0.1341 -0.0092 137 LEU A CD2   
815  N  N     . GLU A 121 ? 1.1511 0.6043 0.6031 0.0546  -0.0700 -0.0045 138 GLU A N     
816  C  CA    . GLU A 121 ? 1.1662 0.5873 0.6128 0.0308  -0.0779 0.0109  138 GLU A CA    
817  C  C     . GLU A 121 ? 1.1691 0.5757 0.5862 0.0388  -0.0720 0.0387  138 GLU A C     
818  O  O     . GLU A 121 ? 1.1554 0.5819 0.5854 -0.0181 -0.0829 0.0609  138 GLU A O     
819  C  CB    . GLU A 121 ? 1.2606 0.5443 0.6353 0.0096  -0.0908 0.0161  138 GLU A CB    
820  N  N     . SER A 122 ? 1.2238 0.5776 0.5996 0.0883  -0.0727 0.0196  139 SER A N     
821  C  CA    . SER A 122 ? 1.2586 0.6059 0.6122 0.1185  -0.0659 0.0157  139 SER A CA    
822  C  C     . SER A 122 ? 1.2082 0.5833 0.6222 0.1412  -0.0536 0.0054  139 SER A C     
823  O  O     . SER A 122 ? 1.2165 0.5610 0.6799 0.1222  -0.0256 -0.0068 139 SER A O     
824  C  CB    . SER A 122 ? 1.3512 0.6492 0.6291 0.1687  -0.0895 0.0343  139 SER A CB    
825  O  OG    . SER A 122 ? 1.3650 0.6887 0.6602 0.2257  -0.1154 0.0492  139 SER A OG    
826  N  N     . GLU A 123 ? 1.1438 0.6207 0.6112 0.1562  -0.0528 0.0077  140 GLU A N     
827  C  CA    . GLU A 123 ? 1.0977 0.6517 0.6049 0.1870  -0.0483 0.0051  140 GLU A CA    
828  C  C     . GLU A 123 ? 1.0104 0.5802 0.5270 0.1522  -0.0292 -0.0289 140 GLU A C     
829  O  O     . GLU A 123 ? 0.9869 0.5368 0.4893 0.1705  -0.0212 -0.0538 140 GLU A O     
830  C  CB    . GLU A 123 ? 1.1036 0.7143 0.6410 0.1983  -0.0814 -0.0031 140 GLU A CB    
831  C  CG    . GLU A 123 ? 1.1962 0.7630 0.6648 0.2465  -0.1007 0.0156  140 GLU A CG    
832  C  CD    . GLU A 123 ? 1.2008 0.8390 0.7061 0.2781  -0.1125 0.0037  140 GLU A CD    
833  O  OE2   . GLU A 123 ? 1.2831 0.8762 0.7321 0.2972  -0.0868 0.0213  140 GLU A OE2   
834  N  N     . ARG A 124 ? 0.9815 0.5169 0.4642 0.1210  -0.0347 -0.0256 141 ARG A N     
835  C  CA    . ARG A 124 ? 0.9049 0.5066 0.4730 0.0997  -0.0299 -0.0331 141 ARG A CA    
836  C  C     . ARG A 124 ? 0.8904 0.5520 0.5258 0.0998  -0.0158 -0.0156 141 ARG A C     
837  O  O     . ARG A 124 ? 0.9454 0.6040 0.5451 0.1138  -0.0045 -0.0154 141 ARG A O     
838  C  CB    . ARG A 124 ? 0.9204 0.4738 0.4321 0.0708  -0.0299 -0.0266 141 ARG A CB    
839  C  CG    . ARG A 124 ? 0.8733 0.4717 0.4179 0.0530  -0.0364 -0.0135 141 ARG A CG    
840  C  CD    . ARG A 124 ? 0.8799 0.4704 0.4017 0.0291  -0.0378 0.0080  141 ARG A CD    
841  N  NE    . ARG A 124 ? 0.8399 0.4637 0.3824 -0.0060 -0.0538 0.0465  141 ARG A NE    
842  C  CZ    . ARG A 124 ? 0.7766 0.4872 0.4165 -0.0178 -0.0545 0.0555  141 ARG A CZ    
843  N  NH1   . ARG A 124 ? 0.7339 0.5254 0.4528 -0.0127 -0.0424 0.0581  141 ARG A NH1   
844  N  NH2   . ARG A 124 ? 0.7723 0.4593 0.4282 -0.0290 -0.0615 0.0752  141 ARG A NH2   
845  N  N     . GLN A 125 ? 0.8294 0.5635 0.5458 0.0932  -0.0160 -0.0045 142 GLN A N     
846  C  CA    . GLN A 125 ? 0.8271 0.5452 0.5806 0.0971  0.0097  0.0184  142 GLN A CA    
847  C  C     . GLN A 125 ? 0.8130 0.4505 0.5429 0.0626  0.0261  0.0299  142 GLN A C     
848  O  O     . GLN A 125 ? 0.8184 0.4298 0.5443 0.0597  0.0147  0.0348  142 GLN A O     
849  C  CB    . GLN A 125 ? 0.8111 0.6085 0.6388 0.0957  0.0254  0.0124  142 GLN A CB    
850  C  CG    . GLN A 125 ? 0.8497 0.6750 0.7080 0.1269  0.0275  0.0087  142 GLN A CG    
851  C  CD    . GLN A 125 ? 0.8148 0.7258 0.7834 0.1376  0.0399  0.0081  142 GLN A CD    
852  O  OE1   . GLN A 125 ? 0.8088 0.7031 0.7815 0.0866  0.0595  0.0027  142 GLN A OE1   
853  N  NE2   . GLN A 125 ? 0.8240 0.7670 0.8529 0.1926  0.0464  0.0010  142 GLN A NE2   
854  N  N     . VAL A 126 ? 0.7954 0.3781 0.5102 0.0571  0.0198  0.0282  143 VAL A N     
855  C  CA    . VAL A 126 ? 0.7892 0.4052 0.5048 0.0613  0.0215  0.0346  143 VAL A CA    
856  C  C     . VAL A 126 ? 0.8125 0.3505 0.4702 0.0553  0.0214  0.0349  143 VAL A C     
857  O  O     . VAL A 126 ? 0.8057 0.3054 0.4555 0.0495  -0.0139 0.0508  143 VAL A O     
858  C  CB    . VAL A 126 ? 0.7516 0.4548 0.5320 0.0681  -0.0004 0.0280  143 VAL A CB    
859  C  CG1   . VAL A 126 ? 0.7414 0.4710 0.5332 0.0735  -0.0052 0.0222  143 VAL A CG1   
860  C  CG2   . VAL A 126 ? 0.7326 0.4770 0.5720 0.0739  0.0146  0.0257  143 VAL A CG2   
861  N  N     . SER A 127 ? 0.8445 0.3808 0.4815 0.0659  0.0401  0.0242  144 SER A N     
862  C  CA    . SER A 127 ? 0.8672 0.3911 0.4934 0.0534  0.0408  0.0175  144 SER A CA    
863  C  C     . SER A 127 ? 0.8417 0.3825 0.4876 0.0284  0.0331  -0.0048 144 SER A C     
864  O  O     . SER A 127 ? 0.8169 0.3854 0.4711 0.0024  0.0635  0.0028  144 SER A O     
865  C  CB    . SER A 127 ? 0.9063 0.4302 0.5014 0.0746  0.0412  0.0089  144 SER A CB    
866  O  OG    . SER A 127 ? 0.9097 0.4442 0.5154 0.0628  0.0191  0.0121  144 SER A OG    
867  N  N     . LEU A 128 ? 0.8342 0.3622 0.5005 0.0032  0.0102  -0.0301 145 LEU A N     
868  C  CA    . LEU A 128 ? 0.7993 0.3761 0.5145 -0.0143 -0.0147 -0.0496 145 LEU A CA    
869  C  C     . LEU A 128 ? 0.7806 0.4295 0.4711 -0.0203 -0.0414 -0.0567 145 LEU A C     
870  O  O     . LEU A 128 ? 0.7196 0.4594 0.4575 -0.0008 -0.0566 -0.0234 145 LEU A O     
871  C  CB    . LEU A 128 ? 0.8148 0.3767 0.5585 -0.0385 -0.0216 -0.0803 145 LEU A CB    
872  C  CG    . LEU A 128 ? 0.7997 0.3909 0.6101 -0.0456 -0.0388 -0.1084 145 LEU A CG    
873  C  CD1   . LEU A 128 ? 0.7604 0.3806 0.6245 -0.0642 -0.0422 -0.1003 145 LEU A CD1   
874  C  CD2   . LEU A 128 ? 0.8404 0.4258 0.6408 -0.0659 -0.0442 -0.1181 145 LEU A CD2   
875  N  N     . ALA A 129 ? 0.8202 0.4470 0.4623 -0.0193 -0.0455 -0.0477 146 ALA A N     
876  C  CA    . ALA A 129 ? 0.8481 0.4521 0.4242 -0.0219 -0.0409 -0.0529 146 ALA A CA    
877  C  C     . ALA A 129 ? 0.8529 0.4292 0.3843 0.0038  -0.0337 -0.0600 146 ALA A C     
878  O  O     . ALA A 129 ? 0.8471 0.4546 0.3200 0.0083  -0.0630 -0.0388 146 ALA A O     
879  C  CB    . ALA A 129 ? 0.8945 0.4482 0.4063 -0.0296 -0.0559 -0.0549 146 ALA A CB    
880  N  N     . ASP A 130 ? 0.8674 0.4123 0.4113 0.0074  -0.0076 -0.0507 147 ASP A N     
881  C  CA    . ASP A 130 ? 0.8856 0.4170 0.4517 0.0151  0.0146  -0.0058 147 ASP A CA    
882  C  C     . ASP A 130 ? 0.8145 0.4730 0.4451 0.0242  0.0181  -0.0061 147 ASP A C     
883  O  O     . ASP A 130 ? 0.7940 0.4841 0.4107 0.0573  0.0063  0.0054  147 ASP A O     
884  C  CB    . ASP A 130 ? 0.9176 0.3855 0.5002 0.0025  0.0490  0.0134  147 ASP A CB    
885  C  CG    . ASP A 130 ? 0.9989 0.3917 0.5407 0.0071  0.0813  0.0182  147 ASP A CG    
886  O  OD1   . ASP A 130 ? 1.0551 0.4244 0.5422 -0.0203 0.0605  0.0258  147 ASP A OD1   
887  O  OD2   . ASP A 130 ? 0.9951 0.3719 0.6371 0.0064  0.0866  0.0507  147 ASP A OD2   
888  N  N     . ALA A 131 ? 0.7820 0.5003 0.4749 0.0134  -0.0003 0.0157  148 ALA A N     
889  C  CA    . ALA A 131 ? 0.7309 0.5043 0.4792 0.0204  -0.0020 0.0077  148 ALA A CA    
890  C  C     . ALA A 131 ? 0.7211 0.4845 0.4753 0.0230  -0.0059 -0.0179 148 ALA A C     
891  O  O     . ALA A 131 ? 0.7141 0.4848 0.4421 0.0154  -0.0061 -0.0525 148 ALA A O     
892  C  CB    . ALA A 131 ? 0.7018 0.5302 0.4787 0.0041  -0.0062 0.0115  148 ALA A CB    
893  N  N     . GLN A 132 ? 0.7207 0.4730 0.4899 0.0223  -0.0127 -0.0252 149 GLN A N     
894  C  CA    . GLN A 132 ? 0.7191 0.5127 0.5274 0.0158  -0.0349 -0.0395 149 GLN A CA    
895  C  C     . GLN A 132 ? 0.7241 0.5266 0.5437 0.0470  -0.0483 -0.0390 149 GLN A C     
896  O  O     . GLN A 132 ? 0.7030 0.5537 0.6429 0.0656  -0.0924 -0.0443 149 GLN A O     
897  C  CB    . GLN A 132 ? 0.7507 0.5578 0.5709 -0.0115 -0.0516 -0.0806 149 GLN A CB    
898  C  CG    . GLN A 132 ? 0.7642 0.6059 0.6075 -0.0339 -0.0427 -0.0905 149 GLN A CG    
899  C  CD    . GLN A 132 ? 0.8013 0.6778 0.7269 -0.0635 -0.0489 -0.1182 149 GLN A CD    
900  O  OE1   . GLN A 132 ? 0.8678 0.6452 0.8260 -0.0588 -0.0447 -0.1057 149 GLN A OE1   
901  N  NE2   . GLN A 132 ? 0.7928 0.7574 0.7548 -0.0739 -0.0456 -0.1486 149 GLN A NE2   
902  N  N     . GLN A 133 ? 0.7483 0.4634 0.4896 0.0612  -0.0537 -0.0365 150 GLN A N     
903  C  CA    . GLN A 133 ? 0.7784 0.4591 0.4602 0.0879  -0.0493 -0.0355 150 GLN A CA    
904  C  C     . GLN A 133 ? 0.7959 0.4222 0.3521 0.0884  -0.0184 -0.0144 150 GLN A C     
905  O  O     . GLN A 133 ? 0.8054 0.3879 0.3015 0.0587  -0.0391 -0.0162 150 GLN A O     
906  C  CB    . GLN A 133 ? 0.8263 0.4199 0.4986 0.1091  -0.0416 -0.0356 150 GLN A CB    
907  C  CG    . GLN A 133 ? 0.8841 0.4388 0.5091 0.1277  -0.0249 -0.0234 150 GLN A CG    
908  C  CD    . GLN A 133 ? 0.9519 0.4534 0.5533 0.1554  0.0142  -0.0189 150 GLN A CD    
909  O  OE1   . GLN A 133 ? 0.9837 0.4850 0.5302 0.1023  0.0139  -0.0316 150 GLN A OE1   
910  N  NE2   . GLN A 133 ? 0.9825 0.4878 0.6029 0.1805  0.0564  -0.0078 150 GLN A NE2   
911  N  N     . SER A 134 ? 0.8041 0.4223 0.3391 0.0879  0.0193  -0.0035 151 SER A N     
912  C  CA    . SER A 134 ? 0.8232 0.4401 0.4099 0.0959  0.0462  0.0246  151 SER A CA    
913  C  C     . SER A 134 ? 0.8040 0.4526 0.4631 0.0951  0.0405  0.0041  151 SER A C     
914  O  O     . SER A 134 ? 0.8308 0.4469 0.5761 0.0912  0.0428  -0.0659 151 SER A O     
915  C  CB    . SER A 134 ? 0.7929 0.4593 0.3892 0.0987  0.0902  0.0360  151 SER A CB    
916  O  OG    . SER A 134 ? 0.8413 0.4818 0.3508 0.1060  0.1066  0.0185  151 SER A OG    
917  N  N     . ALA A 135 ? 0.7637 0.4796 0.4847 0.0751  0.0200  0.0023  152 ALA A N     
918  C  CA    . ALA A 135 ? 0.7513 0.4756 0.4944 0.0606  -0.0104 -0.0130 152 ALA A CA    
919  C  C     . ALA A 135 ? 0.7762 0.4572 0.5136 0.0743  -0.0357 0.0040  152 ALA A C     
920  O  O     . ALA A 135 ? 0.7696 0.4449 0.4788 0.0869  -0.0336 -0.0012 152 ALA A O     
921  C  CB    . ALA A 135 ? 0.7305 0.4879 0.5101 0.0309  -0.0131 -0.0132 152 ALA A CB    
922  N  N     . GLY A 136 ? 0.7925 0.4843 0.5461 0.0737  -0.0676 0.0126  153 GLY A N     
923  C  CA    . GLY A 136 ? 0.8158 0.5424 0.5599 0.0747  -0.1070 -0.0056 153 GLY A CA    
924  C  C     . GLY A 136 ? 0.8625 0.5569 0.5845 0.0857  -0.0843 -0.0178 153 GLY A C     
925  O  O     . GLY A 136 ? 0.8603 0.5485 0.5884 0.1099  -0.1102 -0.0534 153 GLY A O     
926  N  N     . GLU A 137 ? 0.8832 0.5395 0.6110 0.0878  -0.0459 -0.0137 154 GLU A N     
927  C  CA    . GLU A 137 ? 0.9403 0.5237 0.6195 0.1097  0.0020  0.0039  154 GLU A CA    
928  C  C     . GLU A 137 ? 0.9335 0.4686 0.5725 0.1046  0.0115  0.0360  154 GLU A C     
929  O  O     . GLU A 137 ? 0.9903 0.4600 0.5756 0.1086  0.0131  0.0180  154 GLU A O     
930  C  CB    . GLU A 137 ? 0.9787 0.5341 0.6663 0.1135  0.0535  0.0131  154 GLU A CB    
931  C  CG    . GLU A 137 ? 1.0408 0.5831 0.7018 0.1418  0.0430  0.0119  154 GLU A CG    
932  C  CD    . GLU A 137 ? 1.0621 0.6128 0.7540 0.1601  0.0949  0.0330  154 GLU A CD    
933  O  OE1   . GLU A 137 ? 0.9818 0.6037 0.8068 0.1815  0.1569  0.0646  154 GLU A OE1   
934  N  N     . MET A 138 ? 0.8757 0.4150 0.5644 0.0886  -0.0006 0.0562  155 MET A N     
935  C  CA    . MET A 138 ? 0.8720 0.4304 0.5511 0.0717  0.0117  0.0678  155 MET A CA    
936  C  C     . MET A 138 ? 0.8520 0.4493 0.5288 0.0880  -0.0302 0.0359  155 MET A C     
937  O  O     . MET A 138 ? 0.8494 0.4457 0.5853 0.1076  -0.0200 0.0009  155 MET A O     
938  C  CB    . MET A 138 ? 0.8464 0.4325 0.5620 0.0555  0.0381  0.0806  155 MET A CB    
939  C  CG    . MET A 138 ? 0.9244 0.4543 0.5931 0.0512  0.0880  0.0953  155 MET A CG    
940  S  SD    . MET A 138 ? 0.9042 0.5474 0.6542 -0.0139 0.0900  0.0422  155 MET A SD    
941  C  CE    . MET A 138 ? 0.9187 0.5398 0.6269 -0.0018 0.0661  0.0479  155 MET A CE    
942  N  N     . GLY A 139 ? 0.8420 0.4845 0.5331 0.1091  -0.0644 0.0248  156 GLY A N     
943  C  CA    . GLY A 139 ? 0.8379 0.5092 0.5500 0.1296  -0.0745 -0.0183 156 GLY A CA    
944  C  C     . GLY A 139 ? 0.7891 0.5552 0.5675 0.1083  -0.0537 -0.0412 156 GLY A C     
945  O  O     . GLY A 139 ? 0.8182 0.6332 0.6263 0.1030  -0.0223 -0.0734 156 GLY A O     
946  N  N     . ALA A 140 ? 0.7402 0.5626 0.5275 0.0798  -0.0561 -0.0341 157 ALA A N     
947  C  CA    . ALA A 140 ? 0.6731 0.5279 0.4841 0.0402  -0.0409 -0.0211 157 ALA A CA    
948  C  C     . ALA A 140 ? 0.6273 0.5474 0.4895 0.0320  -0.0415 -0.0231 157 ALA A C     
949  O  O     . ALA A 140 ? 0.6207 0.5524 0.5234 0.0268  -0.0592 -0.0035 157 ALA A O     
950  C  CB    . ALA A 140 ? 0.6710 0.4863 0.4483 0.0272  -0.0343 -0.0043 157 ALA A CB    
951  N  N     . MET A 141 ? 0.5892 0.5503 0.4896 0.0226  -0.0269 -0.0506 158 MET A N     
952  C  CA    . MET A 141 ? 0.6055 0.5625 0.5177 0.0046  -0.0292 -0.0459 158 MET A CA    
953  C  C     . MET A 141 ? 0.6036 0.5448 0.4990 -0.0188 -0.0208 -0.0287 158 MET A C     
954  O  O     . MET A 141 ? 0.5990 0.5110 0.4653 -0.0275 -0.0343 -0.0186 158 MET A O     
955  C  CB    . MET A 141 ? 0.6257 0.5885 0.5483 0.0007  -0.0146 -0.0266 158 MET A CB    
956  C  CG    . MET A 141 ? 0.6473 0.6313 0.5777 0.0242  -0.0038 -0.0367 158 MET A CG    
957  S  SD    . MET A 141 ? 0.6666 0.6360 0.5788 0.0087  0.0269  -0.0094 158 MET A SD    
958  C  CE    . MET A 141 ? 0.6640 0.6523 0.6152 -0.0267 0.0189  -0.0565 158 MET A CE    
959  N  N     . TYR A 142 ? 0.6241 0.5576 0.5259 -0.0324 -0.0165 -0.0146 159 TYR A N     
960  C  CA    . TYR A 142 ? 0.6312 0.5313 0.4788 -0.0402 -0.0181 -0.0186 159 TYR A CA    
961  C  C     . TYR A 142 ? 0.6517 0.5309 0.4789 -0.0541 -0.0107 -0.0250 159 TYR A C     
962  O  O     . TYR A 142 ? 0.6477 0.5231 0.4795 -0.0415 -0.0265 -0.0335 159 TYR A O     
963  C  CB    . TYR A 142 ? 0.6383 0.5416 0.4474 -0.0534 -0.0315 -0.0126 159 TYR A CB    
964  C  CG    . TYR A 142 ? 0.6175 0.4971 0.3956 -0.0700 -0.0321 0.0009  159 TYR A CG    
965  C  CD1   . TYR A 142 ? 0.6073 0.4922 0.3896 -0.0641 -0.0343 0.0143  159 TYR A CD1   
966  C  CD2   . TYR A 142 ? 0.6168 0.4638 0.3304 -0.0942 -0.0413 -0.0158 159 TYR A CD2   
967  C  CE1   . TYR A 142 ? 0.6193 0.4605 0.3570 -0.0722 -0.0300 0.0110  159 TYR A CE1   
968  C  CE2   . TYR A 142 ? 0.6411 0.4311 0.3104 -0.1006 -0.0372 -0.0160 159 TYR A CE2   
969  C  CZ    . TYR A 142 ? 0.6278 0.4422 0.3019 -0.0732 -0.0341 -0.0047 159 TYR A CZ    
970  O  OH    . TYR A 142 ? 0.6163 0.4122 0.2547 -0.0667 -0.0195 -0.0302 159 TYR A OH    
971  N  N     . HIS A 143 ? 0.6482 0.4751 0.4599 -0.0739 -0.0050 -0.0240 160 HIS A N     
972  C  CA    . HIS A 143 ? 0.6664 0.4478 0.5078 -0.0793 -0.0020 -0.0039 160 HIS A CA    
973  C  C     . HIS A 143 ? 0.6549 0.4274 0.4805 -0.0972 -0.0066 0.0014  160 HIS A C     
974  O  O     . HIS A 143 ? 0.6542 0.3090 0.4268 -0.0949 -0.0010 0.0429  160 HIS A O     
975  C  CB    . HIS A 143 ? 0.6764 0.4876 0.5503 -0.0842 0.0172  -0.0013 160 HIS A CB    
976  C  CG    . HIS A 143 ? 0.7017 0.5549 0.6427 -0.1163 0.0502  0.0073  160 HIS A CG    
977  N  ND1   . HIS A 143 ? 0.7397 0.5918 0.6824 -0.1040 0.0641  0.0334  160 HIS A ND1   
978  C  CD2   . HIS A 143 ? 0.6977 0.6144 0.7028 -0.1063 0.0814  0.0033  160 HIS A CD2   
979  C  CE1   . HIS A 143 ? 0.7674 0.6619 0.7348 -0.1114 0.0970  0.0369  160 HIS A CE1   
980  N  NE2   . HIS A 143 ? 0.7522 0.6742 0.7590 -0.1164 0.1093  0.0164  160 HIS A NE2   
981  N  N     . GLU A 144 ? 0.7083 0.4545 0.5129 -0.0934 -0.0067 0.0162  161 GLU A N     
982  C  CA    . GLU A 144 ? 0.7229 0.4216 0.5084 -0.0811 -0.0087 0.0056  161 GLU A CA    
983  C  C     . GLU A 144 ? 0.7590 0.4167 0.4990 -0.0981 -0.0031 -0.0293 161 GLU A C     
984  O  O     . GLU A 144 ? 0.7921 0.4923 0.5286 -0.1143 0.0215  -0.0529 161 GLU A O     
985  C  CB    . GLU A 144 ? 0.7376 0.4274 0.5142 -0.0720 -0.0161 0.0087  161 GLU A CB    
986  C  CG    . GLU A 144 ? 0.7146 0.4220 0.5135 -0.0501 -0.0337 0.0234  161 GLU A CG    
987  C  CD    . GLU A 144 ? 0.7387 0.4473 0.5365 -0.0309 -0.0454 0.0140  161 GLU A CD    
988  O  OE1   . GLU A 144 ? 0.7466 0.4618 0.5458 -0.0210 -0.0454 0.0040  161 GLU A OE1   
989  O  OE2   . GLU A 144 ? 0.7555 0.4317 0.5715 0.0011  -0.0478 0.0567  161 GLU A OE2   
990  N  N     . THR A 145 ? 0.7558 0.3499 0.4539 -0.0906 -0.0038 -0.0385 162 THR A N     
991  C  CA    . THR A 145 ? 0.7937 0.3055 0.4500 -0.0787 0.0007  -0.0103 162 THR A CA    
992  C  C     . THR A 145 ? 0.8525 0.3065 0.4965 -0.0531 -0.0047 -0.0061 162 THR A C     
993  O  O     . THR A 145 ? 0.8640 0.2385 0.4702 -0.0282 0.0094  0.0044  162 THR A O     
994  C  CB    . THR A 145 ? 0.7669 0.2938 0.3920 -0.0770 -0.0014 -0.0025 162 THR A CB    
995  O  OG1   . THR A 145 ? 0.7309 0.2543 0.3315 -0.0499 -0.0293 -0.0537 162 THR A OG1   
996  C  CG2   . THR A 145 ? 0.7478 0.2733 0.3866 -0.0941 0.0035  -0.0188 162 THR A CG2   
997  N  N     . SER A 146 ? 0.9327 0.3427 0.5239 -0.0574 -0.0143 0.0033  163 SER A N     
998  C  CA    . SER A 146 ? 0.9836 0.3971 0.5144 -0.0168 -0.0392 0.0355  163 SER A CA    
999  C  C     . SER A 146 ? 1.0286 0.4404 0.5197 -0.0146 -0.0373 0.0730  163 SER A C     
1000 O  O     . SER A 146 ? 1.0463 0.4411 0.5930 -0.0709 -0.0182 0.0471  163 SER A O     
1001 C  CB    . SER A 146 ? 1.0519 0.3958 0.5151 0.0175  -0.0456 0.0411  163 SER A CB    
1002 O  OG    . SER A 146 ? 1.1113 0.4594 0.5600 0.0731  -0.0830 -0.0057 163 SER A OG    
1003 N  N     . ALA A 147 ? 1.0107 0.5071 0.5447 0.0101  -0.0462 0.1034  164 ALA A N     
1004 C  CA    . ALA A 147 ? 1.0634 0.5241 0.5680 0.0337  -0.0294 0.0900  164 ALA A CA    
1005 C  C     . ALA A 147 ? 1.1673 0.5557 0.5764 0.0624  -0.0170 0.1412  164 ALA A C     
1006 O  O     . ALA A 147 ? 1.1954 0.5038 0.5704 0.0866  -0.0100 0.1683  164 ALA A O     
1007 C  CB    . ALA A 147 ? 1.0375 0.5108 0.5930 0.0526  -0.0379 0.0776  164 ALA A CB    
1008 N  N     . ARG A 148 ? 1.2080 0.5868 0.5820 0.0800  -0.0183 0.1492  165 ARG A N     
1009 C  CA    . ARG A 148 ? 1.2973 0.6562 0.6409 0.1155  -0.0241 0.1675  165 ARG A CA    
1010 C  C     . ARG A 148 ? 1.3615 0.6221 0.6516 0.0860  0.0031  0.1728  165 ARG A C     
1011 O  O     . ARG A 148 ? 1.4676 0.6133 0.7176 0.0839  0.0130  0.2729  165 ARG A O     
1012 C  CB    . ARG A 148 ? 1.2945 0.7334 0.6611 0.1456  -0.0567 0.1559  165 ARG A CB    
1013 C  CG    . ARG A 148 ? 1.2573 0.8397 0.6838 0.1623  -0.1075 0.1569  165 ARG A CG    
1014 C  CD    . ARG A 148 ? 1.3358 0.9214 0.6739 0.1870  -0.1469 0.1679  165 ARG A CD    
1015 N  NE    . ARG A 148 ? 1.2966 0.9930 0.6678 0.2145  -0.1858 0.1533  165 ARG A NE    
1016 C  CZ    . ARG A 148 ? 1.2228 1.0319 0.6651 0.2021  -0.1833 0.1313  165 ARG A CZ    
1017 N  N     . SER A 149 ? 1.3195 0.5952 0.6244 0.0610  0.0340  0.1098  166 SER A N     
1018 C  CA    . SER A 149 ? 1.3782 0.6026 0.6374 0.0340  0.0664  0.0637  166 SER A CA    
1019 C  C     . SER A 149 ? 1.3636 0.6061 0.5804 -0.0021 0.1072  0.0400  166 SER A C     
1020 O  O     . SER A 149 ? 1.4413 0.6017 0.5611 -0.0285 0.1757  0.0264  166 SER A O     
1021 C  CB    . SER A 149 ? 1.3800 0.6322 0.6788 0.0440  0.0801  0.0316  166 SER A CB    
1022 O  OG    . SER A 149 ? 1.3982 0.7189 0.7803 0.0193  0.0787  0.0009  166 SER A OG    
1023 N  N     . GLY A 150 ? 1.2670 0.6132 0.5097 0.0137  0.0888  0.0422  167 GLY A N     
1024 C  CA    . GLY A 150 ? 1.2207 0.6074 0.4815 -0.0088 0.1003  0.0451  167 GLY A CA    
1025 C  C     . GLY A 150 ? 1.1693 0.6142 0.4948 -0.0424 0.1135  0.0417  167 GLY A C     
1026 O  O     . GLY A 150 ? 1.1272 0.5807 0.4488 -0.0867 0.1180  0.0522  167 GLY A O     
1027 N  N     . ASP A 151 ? 1.1713 0.6052 0.5400 -0.0372 0.1063  0.0285  168 ASP A N     
1028 C  CA    . ASP A 151 ? 1.1380 0.5896 0.5684 -0.0623 0.1207  0.0105  168 ASP A CA    
1029 C  C     . ASP A 151 ? 1.0204 0.5423 0.5422 -0.0536 0.1144  -0.0227 168 ASP A C     
1030 O  O     . ASP A 151 ? 0.9811 0.4194 0.5231 -0.0271 0.1075  -0.0274 168 ASP A O     
1031 C  CB    . ASP A 151 ? 1.1827 0.6255 0.6073 -0.0519 0.1389  -0.0092 168 ASP A CB    
1032 C  CG    . ASP A 151 ? 1.1695 0.7295 0.7262 -0.0788 0.1583  -0.0368 168 ASP A CG    
1033 O  OD1   . ASP A 151 ? 1.1813 0.7723 0.8012 -0.0967 0.2381  -0.0299 168 ASP A OD1   
1034 O  OD2   . ASP A 151 ? 1.2178 0.8609 0.7724 -0.0611 0.1763  -0.0676 168 ASP A OD2   
1035 N  N     . GLY A 152 ? 0.9825 0.5160 0.5514 -0.0847 0.1182  -0.0355 169 GLY A N     
1036 C  CA    . GLY A 152 ? 0.8938 0.5219 0.5398 -0.0801 0.0970  -0.0252 169 GLY A CA    
1037 C  C     . GLY A 152 ? 0.8573 0.5268 0.5172 -0.0591 0.0864  -0.0106 169 GLY A C     
1038 O  O     . GLY A 152 ? 0.8277 0.4682 0.5237 -0.0472 0.0915  -0.0644 169 GLY A O     
1039 N  N     . VAL A 153 ? 0.8831 0.5205 0.4902 -0.0735 0.0914  0.0158  170 VAL A N     
1040 C  CA    . VAL A 153 ? 0.8590 0.4946 0.4860 -0.0730 0.0661  0.0512  170 VAL A CA    
1041 C  C     . VAL A 153 ? 0.8489 0.5100 0.5171 -0.0992 0.0655  0.0407  170 VAL A C     
1042 O  O     . VAL A 153 ? 0.8274 0.5447 0.5252 -0.1055 0.0351  0.0361  170 VAL A O     
1043 C  CB    . VAL A 153 ? 0.9179 0.5120 0.4634 -0.0507 0.0668  0.0800  170 VAL A CB    
1044 C  CG1   . VAL A 153 ? 0.9129 0.5183 0.4306 -0.0291 0.0446  0.0732  170 VAL A CG1   
1045 C  CG2   . VAL A 153 ? 0.9333 0.5350 0.4541 -0.0245 0.0539  0.0945  170 VAL A CG2   
1046 N  N     . ARG A 154 ? 0.8958 0.4703 0.5198 -0.1078 0.0740  0.0331  171 ARG A N     
1047 C  CA    . ARG A 154 ? 0.8665 0.4777 0.5378 -0.1260 0.0950  0.0158  171 ARG A CA    
1048 C  C     . ARG A 154 ? 0.7971 0.5389 0.5592 -0.1297 0.0999  0.0164  171 ARG A C     
1049 O  O     . ARG A 154 ? 0.7547 0.5998 0.5438 -0.1180 0.0848  0.0074  171 ARG A O     
1050 C  CB    . ARG A 154 ? 0.9223 0.4628 0.5672 -0.1628 0.1132  0.0128  171 ARG A CB    
1051 N  N     . ASP A 155 ? 0.8130 0.5351 0.5898 -0.1293 0.1015  0.0252  172 ASP A N     
1052 C  CA    . ASP A 155 ? 0.8006 0.6029 0.6312 -0.1245 0.0837  0.0201  172 ASP A CA    
1053 C  C     . ASP A 155 ? 0.7613 0.6265 0.6118 -0.1051 0.0633  0.0090  172 ASP A C     
1054 O  O     . ASP A 155 ? 0.7432 0.6221 0.5842 -0.1144 0.0474  -0.0030 172 ASP A O     
1055 C  CB    . ASP A 155 ? 0.8458 0.6124 0.6425 -0.1460 0.0650  0.0263  172 ASP A CB    
1056 C  CG    . ASP A 155 ? 0.9257 0.6395 0.6825 -0.1873 0.1095  0.0458  172 ASP A CG    
1057 O  OD1   . ASP A 155 ? 0.9834 0.6113 0.6694 -0.1704 0.1235  0.0763  172 ASP A OD1   
1058 N  N     . ALA A 156 ? 0.7717 0.6203 0.5972 -0.0898 0.0693  0.0241  173 ALA A N     
1059 C  CA    . ALA A 156 ? 0.7582 0.6039 0.5635 -0.0488 0.0677  0.0291  173 ALA A CA    
1060 C  C     . ALA A 156 ? 0.7650 0.6567 0.5736 -0.0377 0.0840  0.0150  173 ALA A C     
1061 O  O     . ALA A 156 ? 0.7384 0.6572 0.6173 -0.0279 0.0814  -0.0014 173 ALA A O     
1062 C  CB    . ALA A 156 ? 0.7561 0.5804 0.5126 -0.0255 0.0559  0.0228  173 ALA A CB    
1063 N  N     . PHE A 157 ? 0.7678 0.6245 0.5518 -0.0449 0.0914  0.0147  174 PHE A N     
1064 C  CA    . PHE A 157 ? 0.7360 0.5947 0.5409 -0.0597 0.0832  0.0188  174 PHE A CA    
1065 C  C     . PHE A 157 ? 0.7100 0.6147 0.5996 -0.0693 0.0922  -0.0053 174 PHE A C     
1066 O  O     . PHE A 157 ? 0.6357 0.6338 0.5913 -0.0741 0.0646  -0.0272 174 PHE A O     
1067 C  CB    . PHE A 157 ? 0.7786 0.5775 0.5236 -0.0592 0.0892  0.0410  174 PHE A CB    
1068 C  CG    . PHE A 157 ? 0.7674 0.5518 0.4856 -0.0432 0.0805  0.0540  174 PHE A CG    
1069 C  CD1   . PHE A 157 ? 0.7813 0.5610 0.4861 -0.0450 0.0708  0.0594  174 PHE A CD1   
1070 C  CD2   . PHE A 157 ? 0.7575 0.5801 0.4803 -0.0361 0.0641  0.0383  174 PHE A CD2   
1071 C  CE1   . PHE A 157 ? 0.7836 0.5568 0.4609 -0.0422 0.0328  0.0660  174 PHE A CE1   
1072 C  CE2   . PHE A 157 ? 0.7489 0.5689 0.4622 -0.0144 0.0382  0.0383  174 PHE A CE2   
1073 C  CZ    . PHE A 157 ? 0.7664 0.5380 0.4389 -0.0194 0.0237  0.0560  174 PHE A CZ    
1074 N  N     . HIS A 158 ? 0.7290 0.6180 0.6638 -0.0824 0.1207  -0.0147 175 HIS A N     
1075 C  CA    . HIS A 158 ? 0.7389 0.6537 0.7525 -0.1053 0.1320  -0.0414 175 HIS A CA    
1076 C  C     . HIS A 158 ? 0.6904 0.6991 0.7462 -0.1208 0.0938  -0.0765 175 HIS A C     
1077 O  O     . HIS A 158 ? 0.6470 0.7557 0.8147 -0.1327 0.0932  -0.1284 175 HIS A O     
1078 C  CB    . HIS A 158 ? 0.7991 0.6473 0.8480 -0.1226 0.1585  -0.0638 175 HIS A CB    
1079 C  CG    . HIS A 158 ? 0.8255 0.6876 0.9635 -0.1157 0.1939  -0.0838 175 HIS A CG    
1080 N  ND1   . HIS A 158 ? 0.8441 0.6835 0.9772 -0.1141 0.1926  -0.0991 175 HIS A ND1   
1081 C  CD2   . HIS A 158 ? 0.8982 0.7257 1.0167 -0.1223 0.2492  -0.0790 175 HIS A CD2   
1082 C  CE1   . HIS A 158 ? 0.8484 0.7449 1.0670 -0.1300 0.2064  -0.1264 175 HIS A CE1   
1083 N  NE2   . HIS A 158 ? 0.8820 0.7708 1.0959 -0.1456 0.2554  -0.0935 175 HIS A NE2   
1084 N  N     . ALA A 159 ? 0.6568 0.6793 0.7162 -0.1170 0.0657  -0.0702 176 ALA A N     
1085 C  CA    . ALA A 159 ? 0.6240 0.6765 0.6977 -0.1125 0.0595  -0.0651 176 ALA A CA    
1086 C  C     . ALA A 159 ? 0.6149 0.6601 0.6256 -0.0783 0.0424  -0.0421 176 ALA A C     
1087 O  O     . ALA A 159 ? 0.5844 0.6798 0.6480 -0.0533 0.0330  -0.0424 176 ALA A O     
1088 C  CB    . ALA A 159 ? 0.6134 0.6427 0.6716 -0.1030 0.0365  -0.0727 176 ALA A CB    
1089 N  N     . VAL A 160 ? 0.6248 0.5940 0.5519 -0.0915 0.0481  -0.0167 177 VAL A N     
1090 C  CA    . VAL A 160 ? 0.6160 0.5707 0.5217 -0.0739 0.0440  0.0044  177 VAL A CA    
1091 C  C     . VAL A 160 ? 0.6381 0.5981 0.5738 -0.0641 0.0494  -0.0094 177 VAL A C     
1092 O  O     . VAL A 160 ? 0.6297 0.6107 0.5933 -0.0326 0.0516  -0.0379 177 VAL A O     
1093 C  CB    . VAL A 160 ? 0.6079 0.5078 0.4627 -0.0794 0.0541  0.0253  177 VAL A CB    
1094 C  CG1   . VAL A 160 ? 0.6110 0.5278 0.4570 -0.0747 0.0482  0.0173  177 VAL A CG1   
1095 C  CG2   . VAL A 160 ? 0.6020 0.4681 0.4440 -0.0816 0.0438  0.0292  177 VAL A CG2   
1096 N  N     . ALA A 161 ? 0.6589 0.6092 0.5979 -0.0776 0.0673  -0.0099 178 ALA A N     
1097 C  CA    . ALA A 161 ? 0.6617 0.6546 0.6619 -0.0529 0.0739  -0.0025 178 ALA A CA    
1098 C  C     . ALA A 161 ? 0.6661 0.7058 0.6982 -0.0640 0.0540  -0.0146 178 ALA A C     
1099 O  O     . ALA A 161 ? 0.6941 0.7641 0.7448 -0.0424 0.0372  0.0200  178 ALA A O     
1100 C  CB    . ALA A 161 ? 0.6996 0.6787 0.6793 -0.0682 0.0985  0.0048  178 ALA A CB    
1101 N  N     . ALA A 162 ? 0.6228 0.7156 0.6871 -0.0644 0.0489  -0.0364 179 ALA A N     
1102 C  CA    . ALA A 162 ? 0.5997 0.7679 0.7465 -0.0633 0.0380  -0.0674 179 ALA A CA    
1103 C  C     . ALA A 162 ? 0.5859 0.7386 0.7277 -0.0229 0.0043  -0.0885 179 ALA A C     
1104 O  O     . ALA A 162 ? 0.6137 0.7624 0.7529 -0.0031 -0.0180 -0.1192 179 ALA A O     
1105 C  CB    . ALA A 162 ? 0.5880 0.7804 0.7771 -0.0897 0.0342  -0.0668 179 ALA A CB    
1106 N  N     . LYS A 163 ? 0.5857 0.7227 0.7172 -0.0219 -0.0106 -0.0627 180 LYS A N     
1107 C  CA    . LYS A 163 ? 0.5994 0.7503 0.7497 0.0093  -0.0377 -0.0442 180 LYS A CA    
1108 C  C     . LYS A 163 ? 0.6263 0.7734 0.6962 0.0155  -0.0261 -0.0621 180 LYS A C     
1109 O  O     . LYS A 163 ? 0.6634 0.7904 0.7528 0.0119  -0.0388 -0.0795 180 LYS A O     
1110 C  CB    . LYS A 163 ? 0.5964 0.7375 0.7445 0.0140  -0.0391 -0.0260 180 LYS A CB    
1111 N  N     . LEU A 164 ? 0.6232 0.7439 0.6497 0.0220  -0.0116 -0.0107 181 LEU A N     
1112 C  CA    . LEU A 164 ? 0.6400 0.7256 0.6402 0.0472  -0.0068 0.0050  181 LEU A CA    
1113 C  C     . LEU A 164 ? 0.6377 0.7853 0.7073 0.0694  0.0027  -0.0152 181 LEU A C     
1114 O  O     . LEU A 164 ? 0.6272 0.8135 0.7310 0.1019  -0.0027 0.0005  181 LEU A O     
1115 C  CB    . LEU A 164 ? 0.6712 0.6875 0.6051 0.0311  -0.0048 0.0132  181 LEU A CB    
1116 C  CG    . LEU A 164 ? 0.6963 0.6597 0.5673 0.0259  -0.0233 0.0057  181 LEU A CG    
1117 C  CD1   . LEU A 164 ? 0.7025 0.6132 0.5914 0.0193  -0.0225 -0.0068 181 LEU A CD1   
1118 C  CD2   . LEU A 164 ? 0.7353 0.6728 0.5261 0.0485  -0.0466 0.0048  181 LEU A CD2   
1119 N  N     . ILE A 165 ? 0.6106 0.7981 0.7531 0.0611  0.0282  -0.0433 182 ILE A N     
1120 C  CA    . ILE A 165 ? 0.6189 0.8628 0.8159 0.0805  0.0608  -0.0547 182 ILE A CA    
1121 C  C     . ILE A 165 ? 0.6244 0.8828 0.8602 0.1040  0.0264  -0.0682 182 ILE A C     
1122 O  O     . ILE A 165 ? 0.6196 0.9319 0.9029 0.1319  0.0174  -0.0580 182 ILE A O     
1123 C  CB    . ILE A 165 ? 0.6001 0.9068 0.8465 0.0595  0.0913  -0.0495 182 ILE A CB    
1124 C  CG1   . ILE A 165 ? 0.6196 0.9102 0.8501 0.0643  0.1173  -0.0297 182 ILE A CG1   
1125 N  N     . GLU A 166 ? 0.6619 0.8835 0.8749 0.0956  0.0170  -0.0811 183 GLU A N     
1126 C  CA    . GLU A 166 ? 0.7414 0.9437 0.8842 0.1175  0.0060  -0.0945 183 GLU A CA    
1127 C  C     . GLU A 166 ? 0.8120 0.9169 0.8289 0.1458  -0.0011 -0.1069 183 GLU A C     
1128 O  O     . GLU A 166 ? 0.8684 0.9685 0.8602 0.1892  -0.0270 -0.1209 183 GLU A O     
1129 C  CB    . GLU A 166 ? 0.7708 0.9569 0.8934 0.0999  0.0011  -0.1023 183 GLU A CB    
1130 C  CG    . GLU A 166 ? 0.8408 1.0069 0.9069 0.1192  -0.0381 -0.1030 183 GLU A CG    
1131 C  CD    . GLU A 166 ? 0.8905 1.0159 0.9109 0.1017  -0.0501 -0.1102 183 GLU A CD    
1132 O  OE1   . GLU A 166 ? 0.8852 1.0172 0.8931 0.0716  -0.0257 -0.0870 183 GLU A OE1   
1133 O  OE2   . GLU A 166 ? 0.9345 1.0529 0.8972 0.1136  -0.0960 -0.1127 183 GLU A OE2   
1134 MG MG    . MG  B .   ? 0.7258 0.6278 0.6497 -0.0982 -0.0548 -0.0122 201 MG  A MG    
1135 P  PB    . GDP C .   ? 0.7908 0.6097 0.5529 0.0214  -0.0612 -0.0635 202 GDP A PB    
1136 O  O1B   . GDP C .   ? 0.7824 0.6098 0.6135 -0.0077 -0.0512 -0.0299 202 GDP A O1B   
1137 O  O2B   . GDP C .   ? 0.7396 0.6180 0.5886 0.0266  -0.1082 -0.0869 202 GDP A O2B   
1138 O  O3B   . GDP C .   ? 0.7574 0.6158 0.5709 -0.0257 -0.0310 -0.0660 202 GDP A O3B   
1139 O  O3A   . GDP C .   ? 0.8301 0.6060 0.6146 0.0591  -0.0294 -0.0916 202 GDP A O3A   
1140 P  PA    . GDP C .   ? 0.9049 0.6346 0.6998 0.1166  -0.0237 -0.0943 202 GDP A PA    
1141 O  O1A   . GDP C .   ? 0.9360 0.6066 0.6792 0.0757  -0.0606 -0.1178 202 GDP A O1A   
1142 O  O2A   . GDP C .   ? 0.8921 0.6116 0.6125 0.1433  -0.0020 -0.0387 202 GDP A O2A   
1143 O  "O5'" . GDP C .   ? 0.9308 0.6467 0.7371 0.1382  -0.0001 -0.0928 202 GDP A "O5'" 
1144 C  "C5'" . GDP C .   ? 0.9193 0.6412 0.7387 0.1392  -0.0088 -0.0659 202 GDP A "C5'" 
1145 C  "C4'" . GDP C .   ? 0.8694 0.6121 0.6872 0.1439  -0.0117 -0.0389 202 GDP A "C4'" 
1146 O  "O4'" . GDP C .   ? 0.8351 0.5779 0.6571 0.1305  -0.0193 -0.0254 202 GDP A "O4'" 
1147 C  "C3'" . GDP C .   ? 0.8441 0.5700 0.6797 0.1498  -0.0011 -0.0228 202 GDP A "C3'" 
1148 O  "O3'" . GDP C .   ? 0.8262 0.6513 0.6987 0.1566  0.0042  -0.0309 202 GDP A "O3'" 
1149 C  "C2'" . GDP C .   ? 0.8078 0.5590 0.6314 0.1679  0.0091  -0.0068 202 GDP A "C2'" 
1150 O  "O2'" . GDP C .   ? 0.8216 0.5754 0.5819 0.1722  0.0412  -0.0135 202 GDP A "O2'" 
1151 C  "C1'" . GDP C .   ? 0.7872 0.5535 0.6314 0.1509  -0.0278 0.0127  202 GDP A "C1'" 
1152 N  N9    . GDP C .   ? 0.8019 0.5751 0.6205 0.1405  -0.0294 0.0408  202 GDP A N9    
1153 C  C8    . GDP C .   ? 0.8383 0.5826 0.6385 0.1428  -0.0464 0.0509  202 GDP A C8    
1154 N  N7    . GDP C .   ? 0.8326 0.5780 0.6188 0.1486  -0.0666 0.0736  202 GDP A N7    
1155 C  C5    . GDP C .   ? 0.8228 0.5374 0.6012 0.1441  -0.0468 0.1014  202 GDP A C5    
1156 C  C6    . GDP C .   ? 0.8271 0.5245 0.5582 0.1789  -0.0397 0.1120  202 GDP A C6    
1157 O  O6    . GDP C .   ? 0.8403 0.5088 0.5357 0.1892  -0.0186 0.1757  202 GDP A O6    
1158 N  N1    . GDP C .   ? 0.8368 0.5783 0.5337 0.1913  -0.0258 0.0564  202 GDP A N1    
1159 C  C2    . GDP C .   ? 0.8291 0.6166 0.5778 0.1698  -0.0367 0.0699  202 GDP A C2    
1160 N  N2    . GDP C .   ? 0.8262 0.6574 0.6059 0.1729  -0.0074 0.0809  202 GDP A N2    
1161 N  N3    . GDP C .   ? 0.8156 0.5076 0.5872 0.1647  -0.0491 0.0656  202 GDP A N3    
1162 C  C4    . GDP C .   ? 0.8211 0.5163 0.6103 0.1498  -0.0295 0.0679  202 GDP A C4    
1163 O  O     . HOH D .   ? 1.0608 0.3951 0.6165 -0.1603 -0.2093 -0.0744 301 HOH A O     
1164 O  O     . HOH D .   ? 0.6278 0.5793 0.6507 0.1050  0.2258  0.0070  302 HOH A O     
1165 O  O     . HOH D .   ? 0.9170 0.6388 0.5867 -0.3242 0.0453  -0.0031 303 HOH A O     
1166 O  O     . HOH D .   ? 0.8800 0.7425 0.5598 0.1218  -0.3459 -0.1063 304 HOH A O     
1167 O  O     . HOH D .   ? 0.9357 0.2821 0.4157 -0.0872 -0.1144 -0.0257 305 HOH A O     
1168 O  O     . HOH D .   ? 0.9749 0.3193 0.5933 0.1112  0.1028  -0.1482 306 HOH A O     
1169 O  O     . HOH D .   ? 0.3619 0.4388 0.8358 0.0793  0.0206  -0.1562 307 HOH A O     
1170 O  O     . HOH D .   ? 0.8700 1.0210 0.1308 0.4969  -0.0473 -0.1979 308 HOH A O     
1171 O  O     . HOH D .   ? 0.9783 0.7255 0.4726 0.0585  -0.0929 -0.1658 309 HOH A O     
1172 O  O     . HOH D .   ? 0.7555 0.3495 0.3537 -0.0323 0.1043  -0.3253 310 HOH A O     
1173 O  O     . HOH D .   ? 1.0440 0.2666 0.3265 0.0429  0.0518  0.0105  311 HOH A O     
1174 O  O     . HOH D .   ? 0.7223 0.5673 0.7929 0.1620  0.0609  0.0383  312 HOH A O     
1175 O  O     . HOH D .   ? 0.3716 0.3394 0.7927 -0.0300 0.1720  0.1385  313 HOH A O     
1176 O  O     . HOH D .   ? 0.2360 0.6692 0.8407 -0.0304 0.0193  0.0527  314 HOH A O     
1177 O  O     . HOH D .   ? 0.4098 0.5196 0.7598 -0.1127 0.1330  -0.0771 315 HOH A O     
1178 O  O     . HOH D .   ? 0.1594 0.5392 0.5936 -0.0053 0.0103  -0.2202 316 HOH A O     
1179 O  O     . HOH D .   ? 0.8743 0.4256 0.9071 -0.1735 -0.1756 -0.3191 317 HOH A O     
1180 O  O     . HOH D .   ? 1.1554 0.4028 0.0845 0.0147  0.0779  0.1710  318 HOH A O     
1181 O  O     . HOH D .   ? 0.5229 0.2102 1.1159 0.0961  -0.0734 -0.2231 319 HOH A O     
1182 O  O     . HOH D .   ? 0.8644 0.8307 0.4375 -0.1316 -0.0303 -0.3117 320 HOH A O     
1183 O  O     . HOH D .   ? 1.0133 0.2528 0.3948 -0.1126 0.0639  0.1758  321 HOH A O     
1184 O  O     . HOH D .   ? 1.0772 0.7284 0.7600 -0.1049 0.1203  -0.1536 322 HOH A O     
1185 O  O     . HOH D .   ? 0.9235 0.5520 0.4655 -0.1163 0.3506  -0.2172 323 HOH A O     
1186 O  O     . HOH D .   ? 1.7458 0.0238 1.4087 -0.1746 0.0217  -0.0018 324 HOH A O     
1187 O  O     . HOH D .   ? 0.6433 0.6486 0.8182 -0.2328 0.2029  0.0854  325 HOH A O     
1188 O  O     . HOH D .   ? 0.4098 0.7884 0.7703 0.1388  -0.0717 -0.1879 326 HOH A O     
1189 O  O     . HOH D .   ? 0.5465 0.4169 0.8799 0.1610  -0.3436 -0.2032 327 HOH A O     
1190 O  O     . HOH D .   ? 0.4542 0.9047 0.5656 -0.0094 0.0036  0.2688  328 HOH A O     
1191 O  O     . HOH D .   ? 0.8445 0.7503 0.7689 -0.2492 -0.1750 0.0264  329 HOH A O     
1192 O  O     . HOH D .   ? 0.7929 0.7279 0.6275 -0.0741 0.0367  0.0899  330 HOH A O     
1193 O  O     . HOH D .   ? 0.6453 0.5309 0.9792 0.1903  -0.1781 -0.1015 331 HOH A O     
1194 O  O     . HOH D .   ? 0.0749 0.8286 1.0409 0.1048  -0.1790 -0.2369 332 HOH A O     
1195 O  O     . HOH D .   ? 0.2346 0.9520 0.7283 0.1511  -0.1427 -0.0864 333 HOH A O     
# 
