data_8YLJ
# 
_entry.id   8YLJ 
# 
_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   8YLJ         pdb_00008ylj 10.2210/pdb8ylj/pdb 
WWPDB D_1300045756 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2024-11-13 
2 'Structure model' 1 1 2024-12-04 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.page_first'     
3 2 'Structure model' '_citation.page_last'      
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YLJ 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-06 
_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              sungil@kangwon.ac.kr 
_pdbx_contact_author.name_first         Sung-il 
_pdbx_contact_author.name_last          Yoon 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0777-0457 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Song, W.S.' 1 0000-0002-8104-8027 
'Yoon, S.I.' 2 0000-0003-0777-0457 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nucleic Acids Res.' 
_citation.journal_id_ASTM           NARHAD 
_citation.journal_id_CSD            0389 
_citation.journal_id_ISSN           1362-4962 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            52 
_citation.language                  ? 
_citation.page_first                13192 
_citation.page_last                 13205 
_citation.title                     'Structural basis of transcriptional regulation by UrtR in response to uric acid.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1093/nar/gkae922 
_citation.pdbx_database_id_PubMed   39484741 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Song, W.S.' 1 ?                   
primary 'Ki, D.U.'   2 ?                   
primary 'Cho, H.Y.'  3 ?                   
primary 'Kwon, O.H.' 4 ?                   
primary 'Cho, H.'    5 ?                   
primary 'Yoon, S.I.' 6 0000-0003-0777-0457 
# 
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 'Regulatory protein' 19064.773 1  ? ? ? ? 
2 non-polymer syn 'URIC ACID'          168.110   1  ? ? ? ? 
3 water       nat water                18.015    37 ? ? ? ? 
# 
_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       
;SAKDLDAVDAILEQWRRERPDLDASPMGPIGRLRRCAVLMDQRLESCFSRFDLSSWEFDMLATLRRAGAPHCLSPTELFS
TLMVTSGTMTHRLKRLETRGFIERVQNELDARSTLVQLTSSGLELINRAVEAHIENERQVLSVLPAEVLAALDTNLAALL
RGLESHNKGN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SAKDLDAVDAILEQWRRERPDLDASPMGPIGRLRRCAVLMDQRLESCFSRFDLSSWEFDMLATLRRAGAPHCLSPTELFS
TLMVTSGTMTHRLKRLETRGFIERVQNELDARSTLVQLTSSGLELINRAVEAHIENERQVLSVLPAEVLAALDTNLAALL
RGLESHNKGN
;
_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 'URIC ACID' URC 
3 water       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   ALA n 
1 3   LYS n 
1 4   ASP n 
1 5   LEU n 
1 6   ASP n 
1 7   ALA n 
1 8   VAL n 
1 9   ASP n 
1 10  ALA n 
1 11  ILE n 
1 12  LEU n 
1 13  GLU n 
1 14  GLN n 
1 15  TRP n 
1 16  ARG n 
1 17  ARG n 
1 18  GLU n 
1 19  ARG n 
1 20  PRO n 
1 21  ASP n 
1 22  LEU n 
1 23  ASP n 
1 24  ALA n 
1 25  SER n 
1 26  PRO n 
1 27  MET n 
1 28  GLY n 
1 29  PRO n 
1 30  ILE n 
1 31  GLY n 
1 32  ARG n 
1 33  LEU n 
1 34  ARG n 
1 35  ARG n 
1 36  CYS n 
1 37  ALA n 
1 38  VAL n 
1 39  LEU n 
1 40  MET n 
1 41  ASP n 
1 42  GLN n 
1 43  ARG n 
1 44  LEU n 
1 45  GLU n 
1 46  SER n 
1 47  CYS n 
1 48  PHE n 
1 49  SER n 
1 50  ARG n 
1 51  PHE n 
1 52  ASP n 
1 53  LEU n 
1 54  SER n 
1 55  SER n 
1 56  TRP n 
1 57  GLU n 
1 58  PHE n 
1 59  ASP n 
1 60  MET n 
1 61  LEU n 
1 62  ALA n 
1 63  THR n 
1 64  LEU n 
1 65  ARG n 
1 66  ARG n 
1 67  ALA n 
1 68  GLY n 
1 69  ALA n 
1 70  PRO n 
1 71  HIS n 
1 72  CYS n 
1 73  LEU n 
1 74  SER n 
1 75  PRO n 
1 76  THR n 
1 77  GLU n 
1 78  LEU n 
1 79  PHE n 
1 80  SER n 
1 81  THR n 
1 82  LEU n 
1 83  MET n 
1 84  VAL n 
1 85  THR n 
1 86  SER n 
1 87  GLY n 
1 88  THR n 
1 89  MET n 
1 90  THR n 
1 91  HIS n 
1 92  ARG n 
1 93  LEU n 
1 94  LYS n 
1 95  ARG n 
1 96  LEU n 
1 97  GLU n 
1 98  THR n 
1 99  ARG n 
1 100 GLY n 
1 101 PHE n 
1 102 ILE n 
1 103 GLU n 
1 104 ARG n 
1 105 VAL n 
1 106 GLN n 
1 107 ASN n 
1 108 GLU n 
1 109 LEU n 
1 110 ASP n 
1 111 ALA n 
1 112 ARG n 
1 113 SER n 
1 114 THR n 
1 115 LEU n 
1 116 VAL n 
1 117 GLN n 
1 118 LEU n 
1 119 THR n 
1 120 SER n 
1 121 SER n 
1 122 GLY n 
1 123 LEU n 
1 124 GLU n 
1 125 LEU n 
1 126 ILE n 
1 127 ASN n 
1 128 ARG n 
1 129 ALA n 
1 130 VAL n 
1 131 GLU n 
1 132 ALA n 
1 133 HIS n 
1 134 ILE n 
1 135 GLU n 
1 136 ASN n 
1 137 GLU n 
1 138 ARG n 
1 139 GLN n 
1 140 VAL n 
1 141 LEU n 
1 142 SER n 
1 143 VAL n 
1 144 LEU n 
1 145 PRO n 
1 146 ALA n 
1 147 GLU n 
1 148 VAL n 
1 149 LEU n 
1 150 ALA n 
1 151 ALA n 
1 152 LEU n 
1 153 ASP n 
1 154 THR n 
1 155 ASN n 
1 156 LEU n 
1 157 ALA n 
1 158 ALA n 
1 159 LEU n 
1 160 LEU n 
1 161 ARG n 
1 162 GLY n 
1 163 LEU n 
1 164 GLU n 
1 165 SER n 
1 166 HIS n 
1 167 ASN n 
1 168 LYS n 
1 169 GLY n 
1 170 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                   170 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'pecS, ECA2036' 
_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      'Pectobacterium atrosepticum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     29471 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                                        'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ?                                        'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                                        'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                                        'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ?                                        'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                                        'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                                        'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                                        'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ?                                        'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                                        'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                                        'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                                        'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                                        'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                                        'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                                        'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                                        'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                                        'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ?                                        'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                                        'C11 H12 N2 O2'  204.225 
URC non-polymer         . 'URIC ACID'     '7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE' 'C5 H4 N4 O3'    168.110 
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   SER 1   10  ?   ?   ?   A . n 
A 1 2   ALA 2   11  ?   ?   ?   A . n 
A 1 3   LYS 3   12  ?   ?   ?   A . n 
A 1 4   ASP 4   13  ?   ?   ?   A . n 
A 1 5   LEU 5   14  14  LEU LEU A . n 
A 1 6   ASP 6   15  15  ASP ASP A . n 
A 1 7   ALA 7   16  16  ALA ALA A . n 
A 1 8   VAL 8   17  17  VAL VAL A . n 
A 1 9   ASP 9   18  18  ASP ASP A . n 
A 1 10  ALA 10  19  19  ALA ALA A . n 
A 1 11  ILE 11  20  20  ILE ILE A . n 
A 1 12  LEU 12  21  21  LEU LEU A . n 
A 1 13  GLU 13  22  22  GLU GLU A . n 
A 1 14  GLN 14  23  23  GLN GLN A . n 
A 1 15  TRP 15  24  24  TRP TRP A . n 
A 1 16  ARG 16  25  25  ARG ARG A . n 
A 1 17  ARG 17  26  26  ARG ARG A . n 
A 1 18  GLU 18  27  27  GLU GLU A . n 
A 1 19  ARG 19  28  28  ARG ARG A . n 
A 1 20  PRO 20  29  29  PRO PRO A . n 
A 1 21  ASP 21  30  30  ASP ASP A . n 
A 1 22  LEU 22  31  31  LEU LEU A . n 
A 1 23  ASP 23  32  32  ASP ASP A . n 
A 1 24  ALA 24  33  33  ALA ALA A . n 
A 1 25  SER 25  34  34  SER SER A . n 
A 1 26  PRO 26  35  35  PRO PRO A . n 
A 1 27  MET 27  36  36  MET MET A . n 
A 1 28  GLY 28  37  37  GLY GLY A . n 
A 1 29  PRO 29  38  38  PRO PRO A . n 
A 1 30  ILE 30  39  39  ILE ILE A . n 
A 1 31  GLY 31  40  40  GLY GLY A . n 
A 1 32  ARG 32  41  41  ARG ARG A . n 
A 1 33  LEU 33  42  42  LEU LEU A . n 
A 1 34  ARG 34  43  43  ARG ARG A . n 
A 1 35  ARG 35  44  44  ARG ARG A . n 
A 1 36  CYS 36  45  45  CYS CYS A . n 
A 1 37  ALA 37  46  46  ALA ALA A . n 
A 1 38  VAL 38  47  47  VAL VAL A . n 
A 1 39  LEU 39  48  48  LEU LEU A . n 
A 1 40  MET 40  49  49  MET MET A . n 
A 1 41  ASP 41  50  50  ASP ASP A . n 
A 1 42  GLN 42  51  51  GLN GLN A . n 
A 1 43  ARG 43  52  52  ARG ARG A . n 
A 1 44  LEU 44  53  53  LEU LEU A . n 
A 1 45  GLU 45  54  54  GLU GLU A . n 
A 1 46  SER 46  55  55  SER SER A . n 
A 1 47  CYS 47  56  56  CYS CYS A . n 
A 1 48  PHE 48  57  57  PHE PHE A . n 
A 1 49  SER 49  58  58  SER SER A . n 
A 1 50  ARG 50  59  59  ARG ARG A . n 
A 1 51  PHE 51  60  60  PHE PHE A . n 
A 1 52  ASP 52  61  61  ASP ASP A . n 
A 1 53  LEU 53  62  62  LEU LEU A . n 
A 1 54  SER 54  63  63  SER SER A . n 
A 1 55  SER 55  64  64  SER SER A . n 
A 1 56  TRP 56  65  65  TRP TRP A . n 
A 1 57  GLU 57  66  66  GLU GLU A . n 
A 1 58  PHE 58  67  67  PHE PHE A . n 
A 1 59  ASP 59  68  68  ASP ASP A . n 
A 1 60  MET 60  69  69  MET MET A . n 
A 1 61  LEU 61  70  70  LEU LEU A . n 
A 1 62  ALA 62  71  71  ALA ALA A . n 
A 1 63  THR 63  72  72  THR THR A . n 
A 1 64  LEU 64  73  73  LEU LEU A . n 
A 1 65  ARG 65  74  74  ARG ARG A . n 
A 1 66  ARG 66  75  75  ARG ARG A . n 
A 1 67  ALA 67  76  76  ALA ALA A . n 
A 1 68  GLY 68  77  77  GLY GLY A . n 
A 1 69  ALA 69  78  78  ALA ALA A . n 
A 1 70  PRO 70  79  79  PRO PRO A . n 
A 1 71  HIS 71  80  80  HIS HIS A . n 
A 1 72  CYS 72  81  81  CYS CYS A . n 
A 1 73  LEU 73  82  82  LEU LEU A . n 
A 1 74  SER 74  83  83  SER SER A . n 
A 1 75  PRO 75  84  84  PRO PRO A . n 
A 1 76  THR 76  85  85  THR THR A . n 
A 1 77  GLU 77  86  86  GLU GLU A . n 
A 1 78  LEU 78  87  87  LEU LEU A . n 
A 1 79  PHE 79  88  88  PHE PHE A . n 
A 1 80  SER 80  89  89  SER SER A . n 
A 1 81  THR 81  90  90  THR THR A . n 
A 1 82  LEU 82  91  91  LEU LEU A . n 
A 1 83  MET 83  92  92  MET MET A . n 
A 1 84  VAL 84  93  93  VAL VAL A . n 
A 1 85  THR 85  94  94  THR THR A . n 
A 1 86  SER 86  95  95  SER SER A . n 
A 1 87  GLY 87  96  96  GLY GLY A . n 
A 1 88  THR 88  97  97  THR THR A . n 
A 1 89  MET 89  98  98  MET MET A . n 
A 1 90  THR 90  99  99  THR THR A . n 
A 1 91  HIS 91  100 100 HIS HIS A . n 
A 1 92  ARG 92  101 101 ARG ARG A . n 
A 1 93  LEU 93  102 102 LEU LEU A . n 
A 1 94  LYS 94  103 103 LYS LYS A . n 
A 1 95  ARG 95  104 104 ARG ARG A . n 
A 1 96  LEU 96  105 105 LEU LEU A . n 
A 1 97  GLU 97  106 106 GLU GLU A . n 
A 1 98  THR 98  107 107 THR THR A . n 
A 1 99  ARG 99  108 108 ARG ARG A . n 
A 1 100 GLY 100 109 109 GLY GLY A . n 
A 1 101 PHE 101 110 110 PHE PHE A . n 
A 1 102 ILE 102 111 111 ILE ILE A . n 
A 1 103 GLU 103 112 112 GLU GLU A . n 
A 1 104 ARG 104 113 113 ARG ARG A . n 
A 1 105 VAL 105 114 114 VAL VAL A . n 
A 1 106 GLN 106 115 115 GLN GLN A . n 
A 1 107 ASN 107 116 116 ASN ASN A . n 
A 1 108 GLU 108 117 117 GLU GLU A . n 
A 1 109 LEU 109 118 118 LEU LEU A . n 
A 1 110 ASP 110 119 119 ASP ASP A . n 
A 1 111 ALA 111 120 120 ALA ALA A . n 
A 1 112 ARG 112 121 121 ARG ARG A . n 
A 1 113 SER 113 122 122 SER SER A . n 
A 1 114 THR 114 123 123 THR THR A . n 
A 1 115 LEU 115 124 124 LEU LEU A . n 
A 1 116 VAL 116 125 125 VAL VAL A . n 
A 1 117 GLN 117 126 126 GLN GLN A . n 
A 1 118 LEU 118 127 127 LEU LEU A . n 
A 1 119 THR 119 128 128 THR THR A . n 
A 1 120 SER 120 129 129 SER SER A . n 
A 1 121 SER 121 130 130 SER SER A . n 
A 1 122 GLY 122 131 131 GLY GLY A . n 
A 1 123 LEU 123 132 132 LEU LEU A . n 
A 1 124 GLU 124 133 133 GLU GLU A . n 
A 1 125 LEU 125 134 134 LEU LEU A . n 
A 1 126 ILE 126 135 135 ILE ILE A . n 
A 1 127 ASN 127 136 136 ASN ASN A . n 
A 1 128 ARG 128 137 137 ARG ARG A . n 
A 1 129 ALA 129 138 138 ALA ALA A . n 
A 1 130 VAL 130 139 139 VAL VAL A . n 
A 1 131 GLU 131 140 140 GLU GLU A . n 
A 1 132 ALA 132 141 141 ALA ALA A . n 
A 1 133 HIS 133 142 142 HIS HIS A . n 
A 1 134 ILE 134 143 143 ILE ILE A . n 
A 1 135 GLU 135 144 144 GLU GLU A . n 
A 1 136 ASN 136 145 145 ASN ASN A . n 
A 1 137 GLU 137 146 146 GLU GLU A . n 
A 1 138 ARG 138 147 147 ARG ARG A . n 
A 1 139 GLN 139 148 148 GLN GLN A . n 
A 1 140 VAL 140 149 149 VAL VAL A . n 
A 1 141 LEU 141 150 150 LEU LEU A . n 
A 1 142 SER 142 151 151 SER SER A . n 
A 1 143 VAL 143 152 152 VAL VAL A . n 
A 1 144 LEU 144 153 153 LEU LEU A . n 
A 1 145 PRO 145 154 154 PRO PRO A . n 
A 1 146 ALA 146 155 155 ALA ALA A . n 
A 1 147 GLU 147 156 156 GLU GLU A . n 
A 1 148 VAL 148 157 157 VAL VAL A . n 
A 1 149 LEU 149 158 158 LEU LEU A . n 
A 1 150 ALA 150 159 159 ALA ALA A . n 
A 1 151 ALA 151 160 160 ALA ALA A . n 
A 1 152 LEU 152 161 161 LEU LEU A . n 
A 1 153 ASP 153 162 162 ASP ASP A . n 
A 1 154 THR 154 163 163 THR THR A . n 
A 1 155 ASN 155 164 164 ASN ASN A . n 
A 1 156 LEU 156 165 165 LEU LEU A . n 
A 1 157 ALA 157 166 166 ALA ALA A . n 
A 1 158 ALA 158 167 167 ALA ALA A . n 
A 1 159 LEU 159 168 168 LEU LEU A . n 
A 1 160 LEU 160 169 169 LEU LEU A . n 
A 1 161 ARG 161 170 170 ARG ARG A . n 
A 1 162 GLY 162 171 171 GLY GLY A . n 
A 1 163 LEU 163 172 172 LEU LEU A . n 
A 1 164 GLU 164 173 173 GLU GLU A . n 
A 1 165 SER 165 174 174 SER SER A . n 
A 1 166 HIS 166 175 175 HIS HIS A . n 
A 1 167 ASN 167 176 ?   ?   ?   A . n 
A 1 168 LYS 168 177 ?   ?   ?   A . n 
A 1 169 GLY 169 178 ?   ?   ?   A . n 
A 1 170 ASN 170 179 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        URC 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   URC 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 URC 1  201 1  URC URC A . 
C 3 HOH 1  301 11 HOH HOH A . 
C 3 HOH 2  302 46 HOH HOH A . 
C 3 HOH 3  303 26 HOH HOH A . 
C 3 HOH 4  304 30 HOH HOH A . 
C 3 HOH 5  305 39 HOH HOH A . 
C 3 HOH 6  306 28 HOH HOH A . 
C 3 HOH 7  307 9  HOH HOH A . 
C 3 HOH 8  308 24 HOH HOH A . 
C 3 HOH 9  309 38 HOH HOH A . 
C 3 HOH 10 310 37 HOH HOH A . 
C 3 HOH 11 311 5  HOH HOH A . 
C 3 HOH 12 312 7  HOH HOH A . 
C 3 HOH 13 313 13 HOH HOH A . 
C 3 HOH 14 314 18 HOH HOH A . 
C 3 HOH 15 315 21 HOH HOH A . 
C 3 HOH 16 316 1  HOH HOH A . 
C 3 HOH 17 317 6  HOH HOH A . 
C 3 HOH 18 318 15 HOH HOH A . 
C 3 HOH 19 319 19 HOH HOH A . 
C 3 HOH 20 320 2  HOH HOH A . 
C 3 HOH 21 321 10 HOH HOH A . 
C 3 HOH 22 322 12 HOH HOH A . 
C 3 HOH 23 323 14 HOH HOH A . 
C 3 HOH 24 324 4  HOH HOH A . 
C 3 HOH 25 325 3  HOH HOH A . 
C 3 HOH 26 326 29 HOH HOH A . 
C 3 HOH 27 327 47 HOH HOH A . 
C 3 HOH 28 328 58 HOH HOH A . 
C 3 HOH 29 329 50 HOH HOH A . 
C 3 HOH 30 330 56 HOH HOH A . 
C 3 HOH 31 331 17 HOH HOH A . 
C 3 HOH 32 332 40 HOH HOH A . 
C 3 HOH 33 333 44 HOH HOH A . 
C 3 HOH 34 334 22 HOH HOH A . 
C 3 HOH 35 335 57 HOH HOH A . 
C 3 HOH 36 336 45 HOH HOH A . 
C 3 HOH 37 337 51 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 LEU 14  ? CG  ? A LEU 5   CG  
2  1 Y 1 A LEU 14  ? CD1 ? A LEU 5   CD1 
3  1 Y 1 A LEU 14  ? CD2 ? A LEU 5   CD2 
4  1 Y 1 A ARG 25  ? NE  ? A ARG 16  NE  
5  1 Y 1 A ARG 25  ? CZ  ? A ARG 16  CZ  
6  1 Y 1 A ARG 25  ? NH1 ? A ARG 16  NH1 
7  1 Y 1 A ARG 25  ? NH2 ? A ARG 16  NH2 
8  1 Y 1 A SER 55  ? OG  ? A SER 46  OG  
9  1 Y 1 A SER 95  ? OG  ? A SER 86  OG  
10 1 Y 1 A LYS 103 ? CG  ? A LYS 94  CG  
11 1 Y 1 A LYS 103 ? CD  ? A LYS 94  CD  
12 1 Y 1 A LYS 103 ? CE  ? A LYS 94  CE  
13 1 Y 1 A LYS 103 ? NZ  ? A LYS 94  NZ  
14 1 Y 1 A GLU 112 ? CG  ? A GLU 103 CG  
15 1 Y 1 A GLU 112 ? CD  ? A GLU 103 CD  
16 1 Y 1 A GLU 112 ? OE1 ? A GLU 103 OE1 
17 1 Y 1 A GLU 112 ? OE2 ? A GLU 103 OE2 
18 1 Y 1 A ARG 113 ? CZ  ? A ARG 104 CZ  
19 1 Y 1 A ARG 113 ? NH1 ? A ARG 104 NH1 
20 1 Y 1 A ARG 113 ? NH2 ? A ARG 104 NH2 
21 1 Y 1 A GLU 117 ? CG  ? A GLU 108 CG  
22 1 Y 1 A GLU 117 ? CD  ? A GLU 108 CD  
23 1 Y 1 A GLU 117 ? OE1 ? A GLU 108 OE1 
24 1 Y 1 A GLU 117 ? OE2 ? A GLU 108 OE2 
25 1 Y 1 A SER 122 ? OG  ? A SER 113 OG  
26 1 Y 1 A THR 123 ? OG1 ? A THR 114 OG1 
27 1 Y 1 A THR 123 ? CG2 ? A THR 114 CG2 
28 1 Y 1 A SER 130 ? OG  ? A SER 121 OG  
29 1 Y 1 A GLU 133 ? CD  ? A GLU 124 CD  
30 1 Y 1 A GLU 133 ? OE1 ? A GLU 124 OE1 
31 1 Y 1 A GLU 133 ? OE2 ? A GLU 124 OE2 
32 1 Y 1 A GLU 144 ? CG  ? A GLU 135 CG  
33 1 Y 1 A GLU 144 ? CD  ? A GLU 135 CD  
34 1 Y 1 A GLU 144 ? OE1 ? A GLU 135 OE1 
35 1 Y 1 A GLU 144 ? OE2 ? A GLU 135 OE2 
36 1 Y 1 A GLU 156 ? CG  ? A GLU 147 CG  
37 1 Y 1 A GLU 156 ? CD  ? A GLU 147 CD  
38 1 Y 1 A GLU 156 ? OE1 ? A GLU 147 OE1 
39 1 Y 1 A GLU 156 ? OE2 ? A GLU 147 OE2 
40 1 Y 1 A SER 174 ? OG  ? A SER 165 OG  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.19.2_4158 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YLJ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     52.528 
_cell.length_a_esd                 ? 
_cell.length_b                     78.796 
_cell.length_b_esd                 ? 
_cell.length_c                     39.878 
_cell.length_c_esd                 ? 
_cell.volume                       165054.894 
_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                         8YLJ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                18 
_symmetry.space_group_name_Hall            'P 2 2ab' 
_symmetry.space_group_name_H-M             'P 21 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8YLJ 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.16 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.17 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 6000, Hepes, lithium chloride' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_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                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'ADSC QUANTUM 270' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-10-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9793 
_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                        'PAL/PLS BEAMLINE 7A (6B, 6C1)' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9793 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   '7A (6B, 6C1)' 
_diffrn_source.pdbx_synchrotron_site       PAL/PLS 
# 
_reflns.B_iso_Wilson_estimate                          30.96 
_reflns.entry_id                                       8YLJ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.05 
_reflns.d_resolution_low                               30.00 
_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                                     10908 
_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                                4.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          25.8 
_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                                   0.989 
_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                                    2.05 
_reflns_shell.d_res_low                                     2.09 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.9 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             529 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               5.2 
_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                                  0.675 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               41.71 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8YLJ 
_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                            2.05 
_refine.ls_d_res_low                             26.26 
_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                     10862 
_refine.ls_number_reflns_R_free                  539 
_refine.ls_number_reflns_R_work                  10323 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.76 
_refine.ls_percent_reflns_R_free                 4.96 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2289 
_refine.ls_R_factor_R_free                       0.2737 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2267 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      8YLF 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 24.9712 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.1984 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.05 
_refine_hist.d_res_low                        26.26 
_refine_hist.number_atoms_solvent             37 
_refine_hist.number_atoms_total               1284 
_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        1235 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         12 
_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' ? 0.0017  ? 1266 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.4309  ? 1719 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0326  ? 204  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0039  ? 222  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 12.0509 ? 461  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.05 2.26  . . 116 2534 99.62  . . . . 0.2692 . . . . . . . . . . . 0.2853 
'X-RAY DIFFRACTION' 2.26 2.58  . . 154 2516 100.00 . . . . 0.2529 . . . . . . . . . . . 0.3084 
'X-RAY DIFFRACTION' 2.58 3.25  . . 146 2563 100.00 . . . . 0.2456 . . . . . . . . . . . 0.2898 
'X-RAY DIFFRACTION' 3.25 26.26 . . 123 2710 99.47  . . . . 0.2030 . . . . . . . . . . . 0.2488 
# 
_struct.entry_id                     8YLJ 
_struct.title                        'Crystal structure of Pectobacterium atrosepticum PecS in complex with uric acid' 
_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        8YLJ 
_struct_keywords.text            'Transcription factor, TRANSCRIPTION' 
_struct_keywords.pdbx_keywords   TRANSCRIPTION 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q6D5K4_PECAS 
_struct_ref.pdbx_db_accession          Q6D5K4 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;DAVDAILEQWRRERPDLDASPMGPIGRLRRCAVLMDQRLESCFSRFDLSSWEFDMLATLRRAGAPHCLSPTELFSTLMVT
SGTMTHRLKRLETRGFIERVQNELDARSTLVQLTSSGLELINRAVEAHIENERQVLSVLPAEVLAALDTNLAALLRGLES
HNKGN
;
_struct_ref.pdbx_align_begin           15 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8YLJ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 6 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 170 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q6D5K4 
_struct_ref_seq.db_align_beg                  15 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  179 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       15 
_struct_ref_seq.pdbx_auth_seq_align_end       179 
# 
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 8YLJ SER A 1 ? UNP Q6D5K4 ? ? 'expression tag' 10 1 
1 8YLJ ALA A 2 ? UNP Q6D5K4 ? ? 'expression tag' 11 2 
1 8YLJ LYS A 3 ? UNP Q6D5K4 ? ? 'expression tag' 12 3 
1 8YLJ ASP A 4 ? UNP Q6D5K4 ? ? 'expression tag' 13 4 
1 8YLJ LEU A 5 ? UNP Q6D5K4 ? ? 'expression tag' 14 5 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 7950  ? 
1 MORE         -55   ? 
1 'SSA (A^2)'  14940 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000   0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_455 -x-1,-y,z -1.0000000000 0.0000000000 0.0000000000 -52.5280000000 0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 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 ASP A 6   ? ARG A 19  ? ASP A 15  ARG A 28  1 ? 14 
HELX_P HELX_P2 AA2 PRO A 26  ? SER A 49  ? PRO A 35  SER A 58  1 ? 24 
HELX_P HELX_P3 AA3 ARG A 50  ? ASP A 52  ? ARG A 59  ASP A 61  5 ? 3  
HELX_P HELX_P4 AA4 SER A 54  ? ALA A 67  ? SER A 63  ALA A 76  1 ? 14 
HELX_P HELX_P5 AA5 SER A 74  ? THR A 81  ? SER A 83  THR A 90  1 ? 8  
HELX_P HELX_P6 AA6 MET A 89  ? ARG A 99  ? MET A 98  ARG A 108 1 ? 11 
HELX_P HELX_P7 AA7 THR A 119 ? SER A 142 ? THR A 128 SER A 151 1 ? 24 
HELX_P HELX_P8 AA8 PRO A 145 ? SER A 165 ? PRO A 154 SER A 174 1 ? 21 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ALA 
_struct_mon_prot_cis.label_seq_id           69 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           ALA 
_struct_mon_prot_cis.auth_seq_id            78 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    70 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     79 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       0.41 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
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 CYS A 72  ? LEU A 73  ? CYS A 81  LEU A 82  
AA1 2 THR A 114 ? LEU A 118 ? THR A 123 LEU A 127 
AA1 3 ILE A 102 ? GLN A 106 ? ILE A 111 GLN A 115 
# 
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 LEU A 73  ? N LEU A 82  O VAL A 116 ? O VAL A 125 
AA1 2 3 O LEU A 115 ? O LEU A 124 N VAL A 105 ? N VAL A 114 
# 
_pdbx_entry_details.entry_id                   8YLJ 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
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 15 ? ? -123.76 -169.72 
2 1 SER A 95 ? ? -157.36 -153.73 
# 
_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     323 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x+1/2,y+1/2,-z 
4 -x,-y,z         
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -35.1745931892 -2.56002328552 -6.95645128876 0.15470126329  ? 0.0595756349492  ? 0.0352868183802  
? 0.205702134488 ? 0.011646802791  ? 0.162477102743 ? 5.53863613554 ? -0.285280422874 ? 0.572331764072  ? 2.7660211009  ? 
-0.691209848616 ? 2.33348300295 ? -0.0295544372384 ? 0.11556647894   ? 0.0688268766026 ? 0.222811950856  ? -0.0216361056201 ? 
0.0179571882801 ? -0.0524346717801 ? -0.229621804523 ? -0.107228943144  ? 
2 'X-RAY DIFFRACTION' ? refined -8.52604295582 7.59939313303  -20.8785870515 0.330264094954 ? -0.0821796767167 ? -0.0184491049888 
? 0.590848680097 ? 0.199314728468  ? 0.316433076756 ? 2.21470157042 ? -0.52228777026  ? 0.109914278928  ? 2.87018573473 ? 
-1.15814984554  ? 2.41957630075 ? -0.0509978187619 ? 1.20288699293   ? 0.513451373814  ? -0.466925579614 ? 0.236852936358   ? 
0.0992669213737 ? 0.0573675936963  ? -0.129151532405 ? -0.0617870055094 ? 
3 'X-RAY DIFFRACTION' ? refined -20.1956302628 9.31322615028  -4.05416112865 0.284651156277 ? 0.00911281203024 ? 0.0104602382178  
? 0.20347932432  ? 0.0254974231231 ? 0.384412178202 ? 4.90526557074 ? 2.54320644448   ? -0.646887998352 ? 3.4346921173  ? 
-0.934790512622 ? 2.02234423809 ? 0.134109636398   ? -0.232580602194 ? 1.01826838043   ? 0.0839676145247 ? -0.256136656058  ? 
0.0691973749482 ? -0.270536303605  ? 0.0244121945556 ? 0.00469734368893 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 14  ? A 47  A 60  ? ? 
;chain 'A' and (resid 14 through 60 )
;
2 'X-RAY DIFFRACTION' 2 A 48  A 61  ? A 115 A 128 ? ? 
;chain 'A' and (resid 61 through 128 )
;
3 'X-RAY DIFFRACTION' 3 A 116 A 129 ? A 162 A 175 ? ? 
;chain 'A' and (resid 129 through 175 )
;
# 
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 SER 10  ? A SER 1   
2 1 Y 1 A ALA 11  ? A ALA 2   
3 1 Y 1 A LYS 12  ? A LYS 3   
4 1 Y 1 A ASP 13  ? A ASP 4   
5 1 Y 1 A ASN 176 ? A ASN 167 
6 1 Y 1 A LYS 177 ? A LYS 168 
7 1 Y 1 A GLY 178 ? A GLY 169 
8 1 Y 1 A ASN 179 ? A ASN 170 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
URC N1   N Y N 348 
URC C2   C Y N 349 
URC C6   C Y N 350 
URC N3   N Y N 351 
URC O11  O N N 352 
URC C4   C Y N 353 
URC C5   C Y N 354 
URC N9   N Y N 355 
URC O13  O N N 356 
URC N7   N Y N 357 
URC C8   C Y N 358 
URC O24  O N N 359 
URC HN1  H N N 360 
URC HN3  H N N 361 
URC HN9  H N N 362 
URC HN7  H N N 363 
VAL N    N N N 364 
VAL CA   C N S 365 
VAL C    C N N 366 
VAL O    O N N 367 
VAL CB   C N N 368 
VAL CG1  C N N 369 
VAL CG2  C N N 370 
VAL OXT  O N N 371 
VAL H    H N N 372 
VAL H2   H N N 373 
VAL HA   H N N 374 
VAL HB   H N N 375 
VAL HG11 H N N 376 
VAL HG12 H N N 377 
VAL HG13 H N N 378 
VAL HG21 H N N 379 
VAL HG22 H N N 380 
VAL HG23 H N N 381 
VAL HXT  H N N 382 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
URC N1  C2   sing Y N 334 
URC N1  C6   sing Y N 335 
URC N1  HN1  sing N N 336 
URC C2  N3   sing Y N 337 
URC C2  O11  doub N N 338 
URC C6  C5   sing Y N 339 
URC C6  O13  doub N N 340 
URC N3  C4   sing Y N 341 
URC N3  HN3  sing N N 342 
URC C4  C5   doub Y N 343 
URC C4  N9   sing Y N 344 
URC C5  N7   sing Y N 345 
URC N9  C8   sing Y N 346 
URC N9  HN9  sing N N 347 
URC N7  C8   sing Y N 348 
URC N7  HN7  sing N N 349 
URC C8  O24  doub N N 350 
VAL N   CA   sing N N 351 
VAL N   H    sing N N 352 
VAL N   H2   sing N N 353 
VAL CA  C    sing N N 354 
VAL CA  CB   sing N N 355 
VAL CA  HA   sing N N 356 
VAL C   O    doub N N 357 
VAL C   OXT  sing N N 358 
VAL CB  CG1  sing N N 359 
VAL CB  CG2  sing N N 360 
VAL CB  HB   sing N N 361 
VAL CG1 HG11 sing N N 362 
VAL CG1 HG12 sing N N 363 
VAL CG1 HG13 sing N N 364 
VAL CG2 HG21 sing N N 365 
VAL CG2 HG22 sing N N 366 
VAL CG2 HG23 sing N N 367 
VAL OXT HXT  sing N N 368 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Research Foundation (NRF, Korea)' 'Korea, Republic Of' RS-2023-00208153    1 
'National Research Foundation (NRF, Korea)' 'Korea, Republic Of' 2022R1I1A1A01068105 2 
# 
_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   8YLF 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 21 21 2' 
_space_group.name_Hall        'P 2 2ab' 
_space_group.IT_number        18 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    8YLJ 
_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]   0.019037 
_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]   0.012691 
_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]   0.025076 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . LEU A 1 5   ? -44.13900 0.08100   3.48500   1.000 46.41453 ? 14  LEU A N   1 
ATOM   2    C CA  . LEU A 1 5   ? -43.55100 -0.80900  2.49100   1.000 42.50508 ? 14  LEU A CA  1 
ATOM   3    C C   . LEU A 1 5   ? -43.15500 -0.03700  1.23600   1.000 43.56902 ? 14  LEU A C   1 
ATOM   4    O O   . LEU A 1 5   ? -43.62200 1.08100   1.01600   1.000 44.66074 ? 14  LEU A O   1 
ATOM   5    C CB  . LEU A 1 5   ? -44.52700 -1.93200  2.13400   1.000 40.83900 ? 14  LEU A CB  1 
ATOM   6    N N   . ASP A 1 6   ? -42.29300 -0.63400  0.41800   1.000 36.95444 ? 15  ASP A N   1 
ATOM   7    C CA  . ASP A 1 6   ? -41.84800 -0.03100  -0.83200  1.000 36.84785 ? 15  ASP A CA  1 
ATOM   8    C C   . ASP A 1 6   ? -42.14100 -0.98100  -1.99400  1.000 33.22000 ? 15  ASP A C   1 
ATOM   9    O O   . ASP A 1 6   ? -42.83400 -1.99200  -1.84100  1.000 35.06134 ? 15  ASP A O   1 
ATOM   10   C CB  . ASP A 1 6   ? -40.36300 0.34900   -0.75400  1.000 32.43721 ? 15  ASP A CB  1 
ATOM   11   C CG  . ASP A 1 6   ? -39.44900 -0.84400  -0.48300  1.000 34.38061 ? 15  ASP A CG  1 
ATOM   12   O OD1 . ASP A 1 6   ? -39.88200 -2.00900  -0.62200  1.000 34.53022 ? 15  ASP A OD1 1 
ATOM   13   O OD2 . ASP A 1 6   ? -38.27600 -0.60700  -0.12400  1.000 32.61596 ? 15  ASP A OD2 1 
ATOM   14   N N   . ALA A 1 7   ? -41.59500 -0.65000  -3.16600  1.000 29.72909 ? 16  ALA A N   1 
ATOM   15   C CA  . ALA A 1 7   ? -41.86500 -1.44600  -4.35800  1.000 31.41409 ? 16  ALA A CA  1 
ATOM   16   C C   . ALA A 1 7   ? -41.18100 -2.80600  -4.30400  1.000 27.69798 ? 16  ALA A C   1 
ATOM   17   O O   . ALA A 1 7   ? -41.66200 -3.76000  -4.92500  1.000 28.07993 ? 16  ALA A O   1 
ATOM   18   C CB  . ALA A 1 7   ? -41.43100 -0.68300  -5.60800  1.000 31.47054 ? 16  ALA A CB  1 
ATOM   19   N N   . VAL A 1 8   ? -40.06500 -2.91400  -3.58100  1.000 25.45459 ? 17  VAL A N   1 
ATOM   20   C CA  . VAL A 1 8   ? -39.39000 -4.20100  -3.45200  1.000 26.56262 ? 17  VAL A CA  1 
ATOM   21   C C   . VAL A 1 8   ? -40.12900 -5.10000  -2.46400  1.000 29.51450 ? 17  VAL A C   1 
ATOM   22   O O   . VAL A 1 8   ? -40.17000 -6.32300  -2.64300  1.000 28.45412 ? 17  VAL A O   1 
ATOM   23   C CB  . VAL A 1 8   ? -37.91900 -3.98800  -3.05100  1.000 27.00037 ? 17  VAL A CB  1 
ATOM   24   C CG1 . VAL A 1 8   ? -37.19000 -5.31700  -2.92700  1.000 29.12121 ? 17  VAL A CG1 1 
ATOM   25   C CG2 . VAL A 1 8   ? -37.22200 -3.09600  -4.07100  1.000 28.00806 ? 17  VAL A CG2 1 
ATOM   26   N N   . ASP A 1 9   ? -40.72600 -4.52200  -1.41900  1.000 28.96903 ? 18  ASP A N   1 
ATOM   27   C CA  . ASP A 1 9   ? -41.59200 -5.30300  -0.54100  1.000 31.65237 ? 18  ASP A CA  1 
ATOM   28   C C   . ASP A 1 9   ? -42.79300 -5.84700  -1.30300  1.000 32.05889 ? 18  ASP A C   1 
ATOM   29   O O   . ASP A 1 9   ? -43.23400 -6.97600  -1.05800  1.000 32.42537 ? 18  ASP A O   1 
ATOM   30   C CB  . ASP A 1 9   ? -42.05500 -4.44900  0.64000   1.000 34.46532 ? 18  ASP A CB  1 
ATOM   31   C CG  . ASP A 1 9   ? -40.93700 -4.14100  1.61500   1.000 36.09441 ? 18  ASP A CG  1 
ATOM   32   O OD1 . ASP A 1 9   ? -40.20700 -5.07700  2.00100   1.000 36.80671 ? 18  ASP A OD1 1 
ATOM   33   O OD2 . ASP A 1 9   ? -40.78700 -2.96100  1.99300   1.000 39.90350 ? 18  ASP A OD2 1 
ATOM   34   N N   . ALA A 1 10  ? -43.34000 -5.05600  -2.22900  1.000 30.14409 ? 19  ALA A N   1 
ATOM   35   C CA  . ALA A 1 10  ? -44.46400 -5.52800  -3.02800  1.000 34.79991 ? 19  ALA A CA  1 
ATOM   36   C C   . ALA A 1 10  ? -44.05100 -6.68500  -3.92900  1.000 29.18312 ? 19  ALA A C   1 
ATOM   37   O O   . ALA A 1 10  ? -44.82100 -7.63200  -4.12600  1.000 28.78133 ? 19  ALA A O   1 
ATOM   38   C CB  . ALA A 1 10  ? -45.04100 -4.37800  -3.85400  1.000 31.56023 ? 19  ALA A CB  1 
ATOM   39   N N   . ILE A 1 11  ? -42.83500 -6.62900  -4.47600  1.000 27.49495 ? 20  ILE A N   1 
ATOM   40   C CA  . ILE A 1 11  ? -42.34000 -7.71600  -5.31400  1.000 29.69077 ? 20  ILE A CA  1 
ATOM   41   C C   . ILE A 1 11  ? -42.12900 -8.97800  -4.48500  1.000 32.54336 ? 20  ILE A C   1 
ATOM   42   O O   . ILE A 1 11  ? -42.49300 -10.08300 -4.90700  1.000 31.57530 ? 20  ILE A O   1 
ATOM   43   C CB  . ILE A 1 11  ? -41.05000 -7.28000  -6.03400  1.000 27.21779 ? 20  ILE A CB  1 
ATOM   44   C CG1 . ILE A 1 11  ? -41.37400 -6.28700  -7.15400  1.000 26.37259 ? 20  ILE A CG1 1 
ATOM   45   C CG2 . ILE A 1 11  ? -40.28800 -8.48700  -6.56500  1.000 28.76288 ? 20  ILE A CG2 1 
ATOM   46   C CD1 . ILE A 1 11  ? -40.15200 -5.72800  -7.85000  1.000 25.09184 ? 20  ILE A CD1 1 
ATOM   47   N N   . LEU A 1 12  ? -41.54500 -8.83600  -3.29200  1.000 32.23265 ? 21  LEU A N   1 
ATOM   48   C CA  . LEU A 1 12  ? -41.38800 -9.98300  -2.40300  1.000 33.16204 ? 21  LEU A CA  1 
ATOM   49   C C   . LEU A 1 12  ? -42.73500 -10.57000 -2.00800  1.000 31.50160 ? 21  LEU A C   1 
ATOM   50   O O   . LEU A 1 12  ? -42.85900 -11.79100 -1.85300  1.000 30.13565 ? 21  LEU A O   1 
ATOM   51   C CB  . LEU A 1 12  ? -40.59600 -9.57600  -1.16000  1.000 29.29101 ? 21  LEU A CB  1 
ATOM   52   C CG  . LEU A 1 12  ? -39.13400 -9.19100  -1.39200  1.000 33.06959 ? 21  LEU A CG  1 
ATOM   53   C CD1 . LEU A 1 12  ? -38.55100 -8.50400  -0.16400  1.000 32.95517 ? 21  LEU A CD1 1 
ATOM   54   C CD2 . LEU A 1 12  ? -38.31600 -10.41900 -1.76600  1.000 34.57363 ? 21  LEU A CD2 1 
ATOM   55   N N   . GLU A 1 13  ? -43.75500 -9.72300  -1.85300  1.000 31.36713 ? 22  GLU A N   1 
ATOM   56   C CA  . GLU A 1 13  ? -45.09200 -10.22400 -1.55600  1.000 34.27768 ? 22  GLU A CA  1 
ATOM   57   C C   . GLU A 1 13  ? -45.69800 -10.94400 -2.75400  1.000 32.12002 ? 22  GLU A C   1 
ATOM   58   O O   . GLU A 1 13  ? -46.46200 -11.90100 -2.57900  1.000 34.00410 ? 22  GLU A O   1 
ATOM   59   C CB  . GLU A 1 13  ? -45.99600 -9.07200  -1.11100  1.000 35.79374 ? 22  GLU A CB  1 
ATOM   60   C CG  . GLU A 1 13  ? -47.16000 -9.49700  -0.23300  1.000 42.30664 ? 22  GLU A CG  1 
ATOM   61   C CD  . GLU A 1 13  ? -46.72600 -9.86400  1.17600   1.000 47.60595 ? 22  GLU A CD  1 
ATOM   62   O OE1 . GLU A 1 13  ? -45.57500 -9.54900  1.55200   1.000 47.95528 ? 22  GLU A OE1 1 
ATOM   63   O OE2 . GLU A 1 13  ? -47.53700 -10.46600 1.91000   1.000 53.29400 ? 22  GLU A OE2 1 
ATOM   64   N N   . GLN A 1 14  ? -45.37800 -10.49800 -3.97200  1.000 30.44225 ? 23  GLN A N   1 
ATOM   65   C CA  . GLN A 1 14  ? -45.82900 -11.21300 -5.16100  1.000 29.94241 ? 23  GLN A CA  1 
ATOM   66   C C   . GLN A 1 14  ? -45.23200 -12.61400 -5.22000  1.000 34.63033 ? 23  GLN A C   1 
ATOM   67   O O   . GLN A 1 14  ? -45.90800 -13.56900 -5.61900  1.000 35.79700 ? 23  GLN A O   1 
ATOM   68   C CB  . GLN A 1 14  ? -45.46700 -10.42600 -6.42100  1.000 32.72027 ? 23  GLN A CB  1 
ATOM   69   C CG  . GLN A 1 14  ? -46.34300 -9.21100  -6.68900  1.000 36.00537 ? 23  GLN A CG  1 
ATOM   70   C CD  . GLN A 1 14  ? -45.95100 -8.49100  -7.96800  1.000 31.78736 ? 23  GLN A CD  1 
ATOM   71   O OE1 . GLN A 1 14  ? -44.79100 -8.12800  -8.15700  1.000 29.77098 ? 23  GLN A OE1 1 
ATOM   72   N NE2 . GLN A 1 14  ? -46.91700 -8.29000  -8.85700  1.000 31.50122 ? 23  GLN A NE2 1 
ATOM   73   N N   . TRP A 1 15  ? -43.96500 -12.75700 -4.82600  1.000 30.24487 ? 24  TRP A N   1 
ATOM   74   C CA  . TRP A 1 15  ? -43.33300 -14.07200 -4.83800  1.000 34.98718 ? 24  TRP A CA  1 
ATOM   75   C C   . TRP A 1 15  ? -43.80500 -14.95000 -3.68700  1.000 36.38476 ? 24  TRP A C   1 
ATOM   76   O O   . TRP A 1 15  ? -43.75300 -16.18000 -3.79400  1.000 40.13173 ? 24  TRP A O   1 
ATOM   77   C CB  . TRP A 1 15  ? -41.81100 -13.93700 -4.79600  1.000 32.86402 ? 24  TRP A CB  1 
ATOM   78   C CG  . TRP A 1 15  ? -41.20500 -13.54200 -6.10500  1.000 32.62633 ? 24  TRP A CG  1 
ATOM   79   C CD1 . TRP A 1 15  ? -40.42000 -12.45500 -6.34800  1.000 34.02628 ? 24  TRP A CD1 1 
ATOM   80   C CD2 . TRP A 1 15  ? -41.33800 -14.22800 -7.35700  1.000 32.76999 ? 24  TRP A CD2 1 
ATOM   81   N NE1 . TRP A 1 15  ? -40.05100 -12.42300 -7.67000  1.000 30.11894 ? 24  TRP A NE1 1 
ATOM   82   C CE2 . TRP A 1 15  ? -40.60200 -13.50100 -8.31100  1.000 29.57073 ? 24  TRP A CE2 1 
ATOM   83   C CE3 . TRP A 1 15  ? -42.00600 -15.38900 -7.76100  1.000 35.66051 ? 24  TRP A CE3 1 
ATOM   84   C CZ2 . TRP A 1 15  ? -40.51600 -13.89400 -9.64400  1.000 31.09654 ? 24  TRP A CZ2 1 
ATOM   85   C CZ3 . TRP A 1 15  ? -41.92000 -15.77600 -9.08500  1.000 37.75933 ? 24  TRP A CZ3 1 
ATOM   86   C CH2 . TRP A 1 15  ? -41.18100 -15.03100 -10.01100 1.000 36.51536 ? 24  TRP A CH2 1 
ATOM   87   N N   . ARG A 1 16  ? -44.25200 -14.34900 -2.58100  1.000 36.96552 ? 25  ARG A N   1 
ATOM   88   C CA  . ARG A 1 16  ? -44.85900 -15.14200 -1.51800  1.000 35.26401 ? 25  ARG A CA  1 
ATOM   89   C C   . ARG A 1 16  ? -46.15100 -15.79600 -1.98800  1.000 39.15425 ? 25  ARG A C   1 
ATOM   90   O O   . ARG A 1 16  ? -46.52900 -16.85900 -1.48300  1.000 42.87928 ? 25  ARG A O   1 
ATOM   91   C CB  . ARG A 1 16  ? -45.12500 -14.27500 -0.28600  1.000 36.17402 ? 25  ARG A CB  1 
ATOM   92   C CG  . ARG A 1 16  ? -43.88400 -13.92400 0.51900   1.000 41.89350 ? 25  ARG A CG  1 
ATOM   93   C CD  . ARG A 1 16  ? -44.24900 -13.19800 1.80500   1.000 42.88053 ? 25  ARG A CD  1 
ATOM   94   N N   . ARG A 1 17  ? -46.83600 -15.18100 -2.95300  1.000 37.77138 ? 26  ARG A N   1 
ATOM   95   C CA  . ARG A 1 17  ? -48.08500 -15.71000 -3.48300  1.000 40.80332 ? 26  ARG A CA  1 
ATOM   96   C C   . ARG A 1 17  ? -47.86700 -16.66300 -4.65400  1.000 39.56584 ? 26  ARG A C   1 
ATOM   97   O O   . ARG A 1 17  ? -48.53600 -17.69800 -4.73900  1.000 40.18302 ? 26  ARG A O   1 
ATOM   98   C CB  . ARG A 1 17  ? -48.99900 -14.56000 -3.92400  1.000 39.88385 ? 26  ARG A CB  1 
ATOM   99   C CG  . ARG A 1 17  ? -50.32700 -15.01800 -4.51300  1.000 45.28101 ? 26  ARG A CG  1 
ATOM   100  C CD  . ARG A 1 17  ? -51.11800 -13.87500 -5.15100  1.000 44.42558 ? 26  ARG A CD  1 
ATOM   101  N NE  . ARG A 1 17  ? -50.47500 -13.35700 -6.35300  1.000 44.32990 ? 26  ARG A NE  1 
ATOM   102  C CZ  . ARG A 1 17  ? -50.02000 -12.11800 -6.48900  1.000 46.25756 ? 26  ARG A CZ  1 
ATOM   103  N NH1 . ARG A 1 17  ? -50.15800 -11.22100 -5.52600  1.000 47.31282 ? 26  ARG A NH1 1 
ATOM   104  N NH2 . ARG A 1 17  ? -49.41700 -11.76900 -7.62300  1.000 40.18459 ? 26  ARG A NH2 1 
ATOM   105  N N   . GLU A 1 18  ? -46.94000 -16.33700 -5.55600  1.000 37.00404 ? 27  GLU A N   1 
ATOM   106  C CA  . GLU A 1 18  ? -46.79800 -17.06500 -6.81200  1.000 42.56588 ? 27  GLU A CA  1 
ATOM   107  C C   . GLU A 1 18  ? -45.91600 -18.30300 -6.69600  1.000 41.20527 ? 27  GLU A C   1 
ATOM   108  O O   . GLU A 1 18  ? -46.19300 -19.31700 -7.34700  1.000 41.89982 ? 27  GLU A O   1 
ATOM   109  C CB  . GLU A 1 18  ? -46.24600 -16.13400 -7.89500  1.000 39.61463 ? 27  GLU A CB  1 
ATOM   110  C CG  . GLU A 1 18  ? -47.25900 -15.11400 -8.37200  1.000 39.18764 ? 27  GLU A CG  1 
ATOM   111  C CD  . GLU A 1 18  ? -48.56600 -15.75800 -8.79200  1.000 42.95416 ? 27  GLU A CD  1 
ATOM   112  O OE1 . GLU A 1 18  ? -48.52300 -16.77900 -9.51200  1.000 40.27035 ? 27  GLU A OE1 1 
ATOM   113  O OE2 . GLU A 1 18  ? -49.63700 -15.25000 -8.39600  1.000 40.93346 ? 27  GLU A OE2 1 
ATOM   114  N N   . ARG A 1 19  ? -44.85400 -18.24600 -5.89700  1.000 40.22487 ? 28  ARG A N   1 
ATOM   115  C CA  . ARG A 1 19  ? -43.96600 -19.38800 -5.67700  1.000 41.98302 ? 28  ARG A CA  1 
ATOM   116  C C   . ARG A 1 19  ? -43.77300 -19.59800 -4.18100  1.000 40.15645 ? 28  ARG A C   1 
ATOM   117  O O   . ARG A 1 19  ? -42.69100 -19.34400 -3.63900  1.000 41.12445 ? 28  ARG A O   1 
ATOM   118  C CB  . ARG A 1 19  ? -42.62300 -19.18300 -6.37800  1.000 40.65821 ? 28  ARG A CB  1 
ATOM   119  C CG  . ARG A 1 19  ? -42.71600 -19.09000 -7.89000  1.000 42.75221 ? 28  ARG A CG  1 
ATOM   120  C CD  . ARG A 1 19  ? -43.23800 -20.38200 -8.49400  1.000 42.64734 ? 28  ARG A CD  1 
ATOM   121  N NE  . ARG A 1 19  ? -42.40500 -21.52300 -8.13300  1.000 43.70596 ? 28  ARG A NE  1 
ATOM   122  C CZ  . ARG A 1 19  ? -41.31200 -21.88800 -8.78800  1.000 48.52471 ? 28  ARG A CZ  1 
ATOM   123  N NH1 . ARG A 1 19  ? -40.88800 -21.22400 -9.85100  1.000 48.67862 ? 28  ARG A NH1 1 
ATOM   124  N NH2 . ARG A 1 19  ? -40.62300 -22.94400 -8.36300  1.000 49.63494 ? 28  ARG A NH2 1 
ATOM   125  N N   . PRO A 1 20  ? -44.80700 -20.07200 -3.47900  1.000 42.46956 ? 29  PRO A N   1 
ATOM   126  C CA  . PRO A 1 20  ? -44.66100 -20.30600 -2.03300  1.000 45.06483 ? 29  PRO A CA  1 
ATOM   127  C C   . PRO A 1 20  ? -43.67200 -21.40700 -1.69500  1.000 44.89071 ? 29  PRO A C   1 
ATOM   128  O O   . PRO A 1 20  ? -43.25500 -21.50500 -0.53400  1.000 47.09811 ? 29  PRO A O   1 
ATOM   129  C CB  . PRO A 1 20  ? -46.08100 -20.67800 -1.59200  1.000 42.82367 ? 29  PRO A CB  1 
ATOM   130  C CG  . PRO A 1 20  ? -46.71500 -21.23900 -2.82200  1.000 45.39134 ? 29  PRO A CG  1 
ATOM   131  C CD  . PRO A 1 20  ? -46.14200 -20.45800 -3.97000  1.000 41.96959 ? 29  PRO A CD  1 
ATOM   132  N N   . ASP A 1 21  ? -43.28700 -22.23700 -2.66500  1.000 43.44513 ? 30  ASP A N   1 
ATOM   133  C CA  . ASP A 1 21  ? -42.27100 -23.25600 -2.43600  1.000 45.09901 ? 30  ASP A CA  1 
ATOM   134  C C   . ASP A 1 21  ? -40.86200 -22.68000 -2.39500  1.000 44.80802 ? 30  ASP A C   1 
ATOM   135  O O   . ASP A 1 21  ? -39.94800 -23.34900 -1.90100  1.000 46.87289 ? 30  ASP A O   1 
ATOM   136  C CB  . ASP A 1 21  ? -42.35400 -24.33100 -3.52200  1.000 46.22668 ? 30  ASP A CB  1 
ATOM   137  C CG  . ASP A 1 21  ? -42.16100 -23.76600 -4.91800  1.000 50.46381 ? 30  ASP A CG  1 
ATOM   138  O OD1 . ASP A 1 21  ? -42.56800 -22.60800 -5.15700  1.000 43.58810 ? 30  ASP A OD1 1 
ATOM   139  O OD2 . ASP A 1 21  ? -41.59700 -24.47900 -5.77500  1.000 55.94081 ? 30  ASP A OD2 1 
ATOM   140  N N   . LEU A 1 22  ? -40.66700 -21.46300 -2.89500  1.000 44.86634 ? 31  LEU A N   1 
ATOM   141  C CA  . LEU A 1 22  ? -39.36100 -20.82600 -2.93400  1.000 43.97703 ? 31  LEU A CA  1 
ATOM   142  C C   . LEU A 1 22  ? -39.26500 -19.74500 -1.86600  1.000 40.15796 ? 31  LEU A C   1 
ATOM   143  O O   . LEU A 1 22  ? -40.26600 -19.12900 -1.48900  1.000 40.69254 ? 31  LEU A O   1 
ATOM   144  C CB  . LEU A 1 22  ? -39.08700 -20.20800 -4.30900  1.000 40.74662 ? 31  LEU A CB  1 
ATOM   145  C CG  . LEU A 1 22  ? -39.26500 -21.08900 -5.54400  1.000 46.31895 ? 31  LEU A CG  1 
ATOM   146  C CD1 . LEU A 1 22  ? -38.86000 -20.32200 -6.79500  1.000 44.85900 ? 31  LEU A CD1 1 
ATOM   147  C CD2 . LEU A 1 22  ? -38.46400 -22.37500 -5.41400  1.000 46.72037 ? 31  LEU A CD2 1 
ATOM   148  N N   . ASP A 1 23  ? -38.04800 -19.52200 -1.38400  1.000 39.19265 ? 32  ASP A N   1 
ATOM   149  C CA  . ASP A 1 23  ? -37.72900 -18.42100 -0.47700  1.000 43.85426 ? 32  ASP A CA  1 
ATOM   150  C C   . ASP A 1 23  ? -36.95700 -17.38000 -1.28500  1.000 40.90585 ? 32  ASP A C   1 
ATOM   151  O O   . ASP A 1 23  ? -35.77700 -17.56800 -1.59000  1.000 45.37156 ? 32  ASP A O   1 
ATOM   152  C CB  . ASP A 1 23  ? -36.92600 -18.91800 0.72200   1.000 39.67302 ? 32  ASP A CB  1 
ATOM   153  C CG  . ASP A 1 23  ? -36.37400 -17.78600 1.57400   1.000 47.18681 ? 32  ASP A CG  1 
ATOM   154  O OD1 . ASP A 1 23  ? -36.88700 -16.64700 1.49400   1.000 40.59368 ? 32  ASP A OD1 1 
ATOM   155  O OD2 . ASP A 1 23  ? -35.41100 -18.04000 2.32700   1.000 47.69726 ? 32  ASP A OD2 1 
ATOM   156  N N   . ALA A 1 24  ? -37.62600 -16.27900 -1.62200  1.000 42.66591 ? 33  ALA A N   1 
ATOM   157  C CA  . ALA A 1 24  ? -37.05000 -15.23400 -2.45700  1.000 39.43531 ? 33  ALA A CA  1 
ATOM   158  C C   . ALA A 1 24  ? -36.48100 -14.07700 -1.64300  1.000 35.59840 ? 33  ALA A C   1 
ATOM   159  O O   . ALA A 1 24  ? -36.31600 -12.97500 -2.17600  1.000 36.52242 ? 33  ALA A O   1 
ATOM   160  C CB  . ALA A 1 24  ? -38.09600 -14.72100 -3.44800  1.000 38.26615 ? 33  ALA A CB  1 
ATOM   161  N N   . SER A 1 25  ? -36.17300 -14.30700 -0.36700  1.000 38.37142 ? 34  SER A N   1 
ATOM   162  C CA  . SER A 1 25  ? -35.64400 -13.23500 0.47100   1.000 40.60751 ? 34  SER A CA  1 
ATOM   163  C C   . SER A 1 25  ? -34.32800 -12.62900 -0.02200  1.000 35.69817 ? 34  SER A C   1 
ATOM   164  O O   . SER A 1 25  ? -34.13200 -11.42200 0.20200   1.000 34.68170 ? 34  SER A O   1 
ATOM   165  C CB  . SER A 1 25  ? -35.49500 -13.73800 1.91600   1.000 40.66301 ? 34  SER A CB  1 
ATOM   166  O OG  . SER A 1 25  ? -34.73900 -14.93300 1.98300   1.000 42.22207 ? 34  SER A OG  1 
ATOM   167  N N   . PRO A 1 26  ? -33.40500 -13.35700 -0.66300  1.000 36.89240 ? 35  PRO A N   1 
ATOM   168  C CA  . PRO A 1 26  ? -32.21300 -12.67900 -1.20200  1.000 36.66795 ? 35  PRO A CA  1 
ATOM   169  C C   . PRO A 1 26  ? -32.52800 -11.63100 -2.26100  1.000 34.85023 ? 35  PRO A C   1 
ATOM   170  O O   . PRO A 1 26  ? -31.67100 -10.78200 -2.53500  1.000 33.12543 ? 35  PRO A O   1 
ATOM   171  C CB  . PRO A 1 26  ? -31.37300 -13.83100 -1.77800  1.000 35.78703 ? 35  PRO A CB  1 
ATOM   172  C CG  . PRO A 1 26  ? -32.30000 -14.99000 -1.88200  1.000 40.60104 ? 35  PRO A CG  1 
ATOM   173  C CD  . PRO A 1 26  ? -33.26400 -14.82200 -0.75800  1.000 42.34072 ? 35  PRO A CD  1 
ATOM   174  N N   . MET A 1 27  ? -33.72600 -11.65600 -2.85600  1.000 34.99419 ? 36  MET A N   1 
ATOM   175  C CA  . MET A 1 27  ? -34.11400 -10.62800 -3.81800  1.000 34.70935 ? 36  MET A CA  1 
ATOM   176  C C   . MET A 1 27  ? -34.23800 -9.25300  -3.17800  1.000 31.14051 ? 36  MET A C   1 
ATOM   177  O O   . MET A 1 27  ? -34.10500 -8.24400  -3.88000  1.000 31.52420 ? 36  MET A O   1 
ATOM   178  C CB  . MET A 1 27  ? -35.44600 -10.97900 -4.48300  1.000 32.03594 ? 36  MET A CB  1 
ATOM   179  C CG  . MET A 1 27  ? -35.41100 -12.13900 -5.45400  1.000 32.30482 ? 36  MET A CG  1 
ATOM   180  S SD  . MET A 1 27  ? -37.06300 -12.43200 -6.11500  1.000 34.84063 ? 36  MET A SD  1 
ATOM   181  C CE  . MET A 1 27  ? -36.72000 -13.62000 -7.40600  1.000 35.14103 ? 36  MET A CE  1 
ATOM   182  N N   . GLY A 1 28  ? -34.49800 -9.19200  -1.87400  1.000 30.94570 ? 37  GLY A N   1 
ATOM   183  C CA  . GLY A 1 28  ? -34.72200 -7.94200  -1.18700  1.000 29.39739 ? 37  GLY A CA  1 
ATOM   184  C C   . GLY A 1 28  ? -33.53900 -6.99700  -1.23900  1.000 30.67243 ? 37  GLY A C   1 
ATOM   185  O O   . GLY A 1 28  ? -33.60100 -5.92700  -1.85300  1.000 28.29455 ? 37  GLY A O   1 
ATOM   186  N N   . PRO A 1 29  ? -32.43700 -7.37000  -0.57900  1.000 29.49228 ? 38  PRO A N   1 
ATOM   187  C CA  . PRO A 1 29  ? -31.27100 -6.46900  -0.55000  1.000 26.00609 ? 38  PRO A CA  1 
ATOM   188  C C   . PRO A 1 29  ? -30.71200 -6.15700  -1.92600  1.000 25.62492 ? 38  PRO A C   1 
ATOM   189  O O   . PRO A 1 29  ? -30.34600 -5.00700  -2.19600  1.000 25.50227 ? 38  PRO A O   1 
ATOM   190  C CB  . PRO A 1 29  ? -30.26100 -7.23900  0.31200   1.000 29.16442 ? 38  PRO A CB  1 
ATOM   191  C CG  . PRO A 1 29  ? -31.09100 -8.15700  1.14400   1.000 35.16762 ? 38  PRO A CG  1 
ATOM   192  C CD  . PRO A 1 29  ? -32.24300 -8.55500  0.27300   1.000 29.19862 ? 38  PRO A CD  1 
ATOM   193  N N   . ILE A 1 30  ? -30.63500 -7.15300  -2.80900  1.000 24.36889 ? 39  ILE A N   1 
ATOM   194  C CA  . ILE A 1 30  ? -30.06700 -6.92500  -4.13200  1.000 25.30588 ? 39  ILE A CA  1 
ATOM   195  C C   . ILE A 1 30  ? -31.00200 -6.06900  -4.97700  1.000 24.81633 ? 39  ILE A C   1 
ATOM   196  O O   . ILE A 1 30  ? -30.55500 -5.18300  -5.71600  1.000 25.32678 ? 39  ILE A O   1 
ATOM   197  C CB  . ILE A 1 30  ? -29.74700 -8.27200  -4.80500  1.000 27.83653 ? 39  ILE A CB  1 
ATOM   198  C CG1 . ILE A 1 30  ? -28.70100 -9.02500  -3.98100  1.000 30.83770 ? 39  ILE A CG1 1 
ATOM   199  C CG2 . ILE A 1 30  ? -29.26800 -8.06400  -6.23300  1.000 29.98621 ? 39  ILE A CG2 1 
ATOM   200  C CD1 . ILE A 1 30  ? -28.40200 -10.41400 -4.48700  1.000 30.20749 ? 39  ILE A CD1 1 
ATOM   201  N N   . GLY A 1 31  ? -32.31100 -6.30500  -4.87300  1.000 25.74452 ? 40  GLY A N   1 
ATOM   202  C CA  . GLY A 1 31  ? -33.25900 -5.48800  -5.61400  1.000 24.28195 ? 40  GLY A CA  1 
ATOM   203  C C   . GLY A 1 31  ? -33.19600 -4.01900  -5.23600  1.000 26.82472 ? 40  GLY A C   1 
ATOM   204  O O   . GLY A 1 31  ? -33.22700 -3.14400  -6.10400  1.000 23.28587 ? 40  GLY A O   1 
ATOM   205  N N   . ARG A 1 32  ? -33.10200 -3.72600  -3.93800  1.000 22.02273 ? 41  ARG A N   1 
ATOM   206  C CA  . ARG A 1 32  ? -33.01300 -2.33200  -3.50900  1.000 20.82646 ? 41  ARG A CA  1 
ATOM   207  C C   . ARG A 1 32  ? -31.69400 -1.70100  -3.93300  1.000 22.23431 ? 41  ARG A C   1 
ATOM   208  O O   . ARG A 1 32  ? -31.66000 -0.52700  -4.32400  1.000 24.20625 ? 41  ARG A O   1 
ATOM   209  C CB  . ARG A 1 32  ? -33.19700 -2.23500  -1.99700  1.000 24.53952 ? 41  ARG A CB  1 
ATOM   210  C CG  . ARG A 1 32  ? -34.61400 -2.52800  -1.54200  1.000 26.30933 ? 41  ARG A CG  1 
ATOM   211  C CD  . ARG A 1 32  ? -34.79500 -2.23600  -0.06700  1.000 28.63368 ? 41  ARG A CD  1 
ATOM   212  N NE  . ARG A 1 32  ? -36.16700 -2.48000  0.36100   1.000 32.15464 ? 41  ARG A NE  1 
ATOM   213  C CZ  . ARG A 1 32  ? -36.60400 -3.63000  0.85500   1.000 30.89360 ? 41  ARG A CZ  1 
ATOM   214  N NH1 . ARG A 1 32  ? -35.79700 -4.66700  1.01300   1.000 30.69754 ? 41  ARG A NH1 1 
ATOM   215  N NH2 . ARG A 1 32  ? -37.88300 -3.74200  1.19800   1.000 32.37244 ? 41  ARG A NH2 1 
ATOM   216  N N   . LEU A 1 33  ? -30.59900 -2.46200  -3.85700  1.000 20.59815 ? 42  LEU A N   1 
ATOM   217  C CA  . LEU A 1 33  ? -29.31000 -1.97000  -4.33300  1.000 23.42254 ? 42  LEU A CA  1 
ATOM   218  C C   . LEU A 1 33  ? -29.38100 -1.56700  -5.80100  1.000 22.86196 ? 42  LEU A C   1 
ATOM   219  O O   . LEU A 1 33  ? -28.98500 -0.45600  -6.17300  1.000 21.03923 ? 42  LEU A O   1 
ATOM   220  C CB  . LEU A 1 33  ? -28.23800 -3.03900  -4.12300  1.000 24.96232 ? 42  LEU A CB  1 
ATOM   221  C CG  . LEU A 1 33  ? -26.82800 -2.70500  -4.61500  1.000 25.39807 ? 42  LEU A CG  1 
ATOM   222  C CD1 . LEU A 1 33  ? -26.12400 -1.79600  -3.62200  1.000 25.69982 ? 42  LEU A CD1 1 
ATOM   223  C CD2 . LEU A 1 33  ? -26.02100 -3.97700  -4.85300  1.000 25.10159 ? 42  LEU A CD2 1 
ATOM   224  N N   . ARG A 1 34  ? -29.88400 -2.46300  -6.65500  1.000 19.50343 ? 43  ARG A N   1 
ATOM   225  C CA  . ARG A 1 34  ? -29.94000 -2.16300  -8.08300  1.000 24.08572 ? 43  ARG A CA  1 
ATOM   226  C C   . ARG A 1 34  ? -30.97300 -1.08700  -8.39300  1.000 24.91656 ? 43  ARG A C   1 
ATOM   227  O O   . ARG A 1 34  ? -30.76500 -0.27100  -9.29900  1.000 20.72558 ? 43  ARG A O   1 
ATOM   228  C CB  . ARG A 1 34  ? -30.23900 -3.43500  -8.87700  1.000 26.32431 ? 43  ARG A CB  1 
ATOM   229  C CG  . ARG A 1 34  ? -29.15000 -4.49300  -8.77000  1.000 27.32270 ? 43  ARG A CG  1 
ATOM   230  C CD  . ARG A 1 34  ? -29.45800 -5.70700  -9.63400  1.000 31.14098 ? 43  ARG A CD  1 
ATOM   231  N NE  . ARG A 1 34  ? -29.59100 -5.35900  -11.04500 1.000 33.45374 ? 43  ARG A NE  1 
ATOM   232  C CZ  . ARG A 1 34  ? -30.73100 -5.39200  -11.72200 1.000 33.68558 ? 43  ARG A CZ  1 
ATOM   233  N NH1 . ARG A 1 34  ? -31.86300 -5.77200  -11.15200 1.000 35.43464 ? 43  ARG A NH1 1 
ATOM   234  N NH2 . ARG A 1 34  ? -30.73500 -5.04200  -13.00500 1.000 33.85735 ? 43  ARG A NH2 1 
ATOM   235  N N   . ARG A 1 35  ? -32.08300 -1.06700  -7.65500  1.000 23.01155 ? 44  ARG A N   1 
ATOM   236  C CA  . ARG A 1 35  ? -33.08700 -0.03200  -7.86800  1.000 23.84023 ? 44  ARG A CA  1 
ATOM   237  C C   . ARG A 1 35  ? -32.55400 1.33900   -7.47000  1.000 26.28938 ? 44  ARG A C   1 
ATOM   238  O O   . ARG A 1 35  ? -32.78100 2.32700   -8.17900  1.000 24.61336 ? 44  ARG A O   1 
ATOM   239  C CB  . ARG A 1 35  ? -34.35700 -0.37400  -7.08700  1.000 25.25609 ? 44  ARG A CB  1 
ATOM   240  C CG  . ARG A 1 35  ? -35.55500 0.48800   -7.42600  1.000 27.54029 ? 44  ARG A CG  1 
ATOM   241  C CD  . ARG A 1 35  ? -36.77400 0.06600   -6.62600  1.000 28.06265 ? 44  ARG A CD  1 
ATOM   242  N NE  . ARG A 1 35  ? -37.94900 0.85500   -6.97300  1.000 32.48679 ? 44  ARG A NE  1 
ATOM   243  C CZ  . ARG A 1 35  ? -38.93000 0.43200   -7.76000  1.000 37.01536 ? 44  ARG A CZ  1 
ATOM   244  N NH1 . ARG A 1 35  ? -38.92400 -0.78600  -8.27900  1.000 33.84319 ? 44  ARG A NH1 1 
ATOM   245  N NH2 . ARG A 1 35  ? -39.94400 1.24900   -8.02800  1.000 34.46059 ? 44  ARG A NH2 1 
ATOM   246  N N   . CYS A 1 36  ? -31.83700 1.41500   -6.34400  1.000 23.75959 ? 45  CYS A N   1 
ATOM   247  C CA  . CYS A 1 36  ? -31.22600 2.67300   -5.92500  1.000 20.15690 ? 45  CYS A CA  1 
ATOM   248  C C   . CYS A 1 36  ? -30.16800 3.13300   -6.91700  1.000 23.74171 ? 45  CYS A C   1 
ATOM   249  O O   . CYS A 1 36  ? -30.05800 4.33100   -7.20200  1.000 22.75341 ? 45  CYS A O   1 
ATOM   250  C CB  . CYS A 1 36  ? -30.60000 2.52600   -4.53900  1.000 23.08400 ? 45  CYS A CB  1 
ATOM   251  S SG  . CYS A 1 36  ? -31.76200 2.48900   -3.16700  1.000 28.39524 ? 45  CYS A SG  1 
ATOM   252  N N   . ALA A 1 37  ? -29.37100 2.19900   -7.44000  1.000 20.78941 ? 46  ALA A N   1 
ATOM   253  C CA  . ALA A 1 37  ? -28.27700 2.57600   -8.32700  1.000 24.43079 ? 46  ALA A CA  1 
ATOM   254  C C   . ALA A 1 37  ? -28.79500 3.15500   -9.63700  1.000 24.36249 ? 46  ALA A C   1 
ATOM   255  O O   . ALA A 1 37  ? -28.19600 4.08500   -10.18900 1.000 27.92806 ? 46  ALA A O   1 
ATOM   256  C CB  . ALA A 1 37  ? -27.37600 1.37000   -8.58600  1.000 22.85534 ? 46  ALA A CB  1 
ATOM   257  N N   . VAL A 1 38  ? -29.90800 2.62500   -10.14800 1.000 24.66761 ? 47  VAL A N   1 
ATOM   258  C CA  . VAL A 1 38  ? -30.48900 3.16100   -11.37600 1.000 27.79084 ? 47  VAL A CA  1 
ATOM   259  C C   . VAL A 1 38  ? -31.05700 4.55500   -11.13500 1.000 28.16291 ? 47  VAL A C   1 
ATOM   260  O O   . VAL A 1 38  ? -30.84100 5.47900   -11.93000 1.000 27.70317 ? 47  VAL A O   1 
ATOM   261  C CB  . VAL A 1 38  ? -31.55700 2.20100   -11.92800 1.000 29.81280 ? 47  VAL A CB  1 
ATOM   262  C CG1 . VAL A 1 38  ? -32.32700 2.85800   -13.05900 1.000 34.32146 ? 47  VAL A CG1 1 
ATOM   263  C CG2 . VAL A 1 38  ? -30.91000 0.91000   -12.40500 1.000 31.39731 ? 47  VAL A CG2 1 
ATOM   264  N N   . LEU A 1 39  ? -31.79600 4.73100   -10.03600 1.000 26.65027 ? 48  LEU A N   1 
ATOM   265  C CA  . LEU A 1 39  ? -32.33300 6.05100   -9.72000  1.000 28.32840 ? 48  LEU A CA  1 
ATOM   266  C C   . LEU A 1 39  ? -31.21700 7.03800   -9.40400  1.000 28.22631 ? 48  LEU A C   1 
ATOM   267  O O   . LEU A 1 39  ? -31.31900 8.22500   -9.73400  1.000 30.20016 ? 48  LEU A O   1 
ATOM   268  C CB  . LEU A 1 39  ? -33.31300 5.95800   -8.55200  1.000 28.35946 ? 48  LEU A CB  1 
ATOM   269  C CG  . LEU A 1 39  ? -34.60400 5.17700   -8.80700  1.000 28.75964 ? 48  LEU A CG  1 
ATOM   270  C CD1 . LEU A 1 39  ? -35.33200 4.93600   -7.50100  1.000 32.11246 ? 48  LEU A CD1 1 
ATOM   271  C CD2 . LEU A 1 39  ? -35.50000 5.91900   -9.79100  1.000 27.76304 ? 48  LEU A CD2 1 
ATOM   272  N N   . MET A 1 40  ? -30.14600 6.56700   -8.76100  1.000 26.47473 ? 49  MET A N   1 
ATOM   273  C CA  . MET A 1 40  ? -29.00000 7.43500   -8.50500  1.000 29.73190 ? 49  MET A CA  1 
ATOM   274  C C   . MET A 1 40  ? -28.34200 7.86700   -9.81000  1.000 28.79056 ? 49  MET A C   1 
ATOM   275  O O   . MET A 1 40  ? -27.94100 9.02800   -9.95800  1.000 30.83613 ? 49  MET A O   1 
ATOM   276  C CB  . MET A 1 40  ? -27.99300 6.72100   -7.60000  1.000 23.05034 ? 49  MET A CB  1 
ATOM   277  C CG  . MET A 1 40  ? -26.74600 7.53100   -7.28900  1.000 30.79538 ? 49  MET A CG  1 
ATOM   278  S SD  . MET A 1 40  ? -27.07800 8.93200   -6.20500  1.000 35.53048 ? 49  MET A SD  1 
ATOM   279  C CE  . MET A 1 40  ? -27.36200 8.09200   -4.64800  1.000 29.80407 ? 49  MET A CE  1 
ATOM   280  N N   . ASP A 1 41  ? -28.24300 6.94900   -10.77500 1.000 28.41042 ? 50  ASP A N   1 
ATOM   281  C CA  . ASP A 1 41  ? -27.63900 7.27900   -12.06300 1.000 31.05427 ? 50  ASP A CA  1 
ATOM   282  C C   . ASP A 1 41  ? -28.42800 8.35900   -12.79200 1.000 32.01211 ? 50  ASP A C   1 
ATOM   283  O O   . ASP A 1 41  ? -27.84100 9.23500   -13.43700 1.000 34.35019 ? 50  ASP A O   1 
ATOM   284  C CB  . ASP A 1 41  ? -27.52500 6.02300   -12.92500 1.000 29.08588 ? 50  ASP A CB  1 
ATOM   285  C CG  . ASP A 1 41  ? -26.32500 5.17600   -12.55800 1.000 36.97298 ? 50  ASP A CG  1 
ATOM   286  O OD1 . ASP A 1 41  ? -25.46000 5.67300   -11.80500 1.000 38.06538 ? 50  ASP A OD1 1 
ATOM   287  O OD2 . ASP A 1 41  ? -26.24500 4.01600   -13.01800 1.000 38.61463 ? 50  ASP A OD2 1 
ATOM   288  N N   . GLN A 1 42  ? -29.76200 8.31600   -12.70600 1.000 33.57860 ? 51  GLN A N   1 
ATOM   289  C CA  . GLN A 1 42  ? -30.57200 9.35000   -13.34300 1.000 33.13156 ? 51  GLN A CA  1 
ATOM   290  C C   . GLN A 1 42  ? -30.31500 10.71400  -12.71600 1.000 33.40998 ? 51  GLN A C   1 
ATOM   291  O O   . GLN A 1 42  ? -30.29300 11.73500  -13.41500 1.000 33.41342 ? 51  GLN A O   1 
ATOM   292  C CB  . GLN A 1 42  ? -32.05600 8.98800   -13.25300 1.000 35.36182 ? 51  GLN A CB  1 
ATOM   293  C CG  . GLN A 1 42  ? -32.43300 7.70800   -13.98700 1.000 37.55650 ? 51  GLN A CG  1 
ATOM   294  C CD  . GLN A 1 42  ? -33.90300 7.35800   -13.83300 1.000 41.75267 ? 51  GLN A CD  1 
ATOM   295  O OE1 . GLN A 1 42  ? -34.64500 8.04300   -13.12900 1.000 43.16562 ? 51  GLN A OE1 1 
ATOM   296  N NE2 . GLN A 1 42  ? -34.32900 6.28500   -14.49000 1.000 42.09301 ? 51  GLN A NE2 1 
ATOM   297  N N   . ARG A 1 43  ? -30.11900 10.75200  -11.39700 1.000 32.49061 ? 52  ARG A N   1 
ATOM   298  C CA  . ARG A 1 43  ? -29.81500 12.01300  -10.72800 1.000 31.60862 ? 52  ARG A CA  1 
ATOM   299  C C   . ARG A 1 43  ? -28.43600 12.52900  -11.12200 1.000 35.29587 ? 52  ARG A C   1 
ATOM   300  O O   . ARG A 1 43  ? -28.23500 13.74200  -11.25800 1.000 34.87451 ? 52  ARG A O   1 
ATOM   301  C CB  . ARG A 1 43  ? -29.90800 11.83500  -9.21300  1.000 35.88783 ? 52  ARG A CB  1 
ATOM   302  C CG  . ARG A 1 43  ? -31.29400 11.46300  -8.71400  1.000 34.25871 ? 52  ARG A CG  1 
ATOM   303  C CD  . ARG A 1 43  ? -32.26300 12.63100  -8.84500  1.000 36.66119 ? 52  ARG A CD  1 
ATOM   304  N NE  . ARG A 1 43  ? -31.84100 13.77800  -8.04900  1.000 38.49830 ? 52  ARG A NE  1 
ATOM   305  C CZ  . ARG A 1 43  ? -32.06600 13.91400  -6.74900  1.000 41.26656 ? 52  ARG A CZ  1 
ATOM   306  N NH1 . ARG A 1 43  ? -32.70100 12.98200  -6.05700  1.000 40.64799 ? 52  ARG A NH1 1 
ATOM   307  N NH2 . ARG A 1 43  ? -31.64300 15.01100  -6.12800  1.000 46.05480 ? 52  ARG A NH2 1 
ATOM   308  N N   . LEU A 1 44  ? -27.47400 11.62300  -11.31200 1.000 33.64019 ? 53  LEU A N   1 
ATOM   309  C CA  . LEU A 1 44  ? -26.12700 12.04300  -11.68200 1.000 36.05315 ? 53  LEU A CA  1 
ATOM   310  C C   . LEU A 1 44  ? -26.07900 12.52100  -13.12700 1.000 37.21568 ? 53  LEU A C   1 
ATOM   311  O O   . LEU A 1 44  ? -25.50600 13.57500  -13.42500 1.000 38.65332 ? 53  LEU A O   1 
ATOM   312  C CB  . LEU A 1 44  ? -25.13900 10.89500  -11.46200 1.000 37.63639 ? 53  LEU A CB  1 
ATOM   313  C CG  . LEU A 1 44  ? -24.98400 10.37400  -10.03200 1.000 35.03318 ? 53  LEU A CG  1 
ATOM   314  C CD1 . LEU A 1 44  ? -23.97300 9.24000   -9.98400  1.000 31.09128 ? 53  LEU A CD1 1 
ATOM   315  C CD2 . LEU A 1 44  ? -24.56900 11.49600  -9.10200  1.000 37.06357 ? 53  LEU A CD2 1 
ATOM   316  N N   . GLU A 1 45  ? -26.68100 11.75900  -14.04300 1.000 38.07086 ? 54  GLU A N   1 
ATOM   317  C CA  . GLU A 1 45  ? -26.61200 12.11600  -15.45400 1.000 40.97431 ? 54  GLU A CA  1 
ATOM   318  C C   . GLU A 1 45  ? -27.45200 13.34300  -15.78100 1.000 39.43296 ? 54  GLU A C   1 
ATOM   319  O O   . GLU A 1 45  ? -27.24900 13.95100  -16.83700 1.000 43.56509 ? 54  GLU A O   1 
ATOM   320  C CB  . GLU A 1 45  ? -27.03000 10.92600  -16.32100 1.000 38.79688 ? 54  GLU A CB  1 
ATOM   321  C CG  . GLU A 1 45  ? -26.21200 9.67000   -16.04400 1.000 45.17929 ? 54  GLU A CG  1 
ATOM   322  C CD  . GLU A 1 45  ? -26.05300 8.77000   -17.25600 1.000 55.19625 ? 54  GLU A CD  1 
ATOM   323  O OE1 . GLU A 1 45  ? -25.37300 9.18100   -18.22300 1.000 50.80961 ? 54  GLU A OE1 1 
ATOM   324  O OE2 . GLU A 1 45  ? -26.60200 7.64800   -17.23600 1.000 54.97430 ? 54  GLU A OE2 1 
ATOM   325  N N   . SER A 1 46  ? -28.38100 13.72600  -14.90000 1.000 39.53254 ? 55  SER A N   1 
ATOM   326  C CA  . SER A 1 46  ? -29.08100 14.99300  -15.06500 1.000 41.76731 ? 55  SER A CA  1 
ATOM   327  C C   . SER A 1 46  ? -28.14500 16.18000  -14.87200 1.000 47.23213 ? 55  SER A C   1 
ATOM   328  O O   . SER A 1 46  ? -28.44000 17.27700  -15.35900 1.000 48.97645 ? 55  SER A O   1 
ATOM   329  C CB  . SER A 1 46  ? -30.25500 15.08000  -14.08800 1.000 37.69005 ? 55  SER A CB  1 
ATOM   330  N N   . CYS A 1 47  ? -27.02200 15.97900  -14.18100 1.000 44.33812 ? 56  CYS A N   1 
ATOM   331  C CA  . CYS A 1 47  ? -25.96700 16.97600  -14.05500 1.000 43.93840 ? 56  CYS A CA  1 
ATOM   332  C C   . CYS A 1 47  ? -24.87800 16.80800  -15.10500 1.000 47.43639 ? 56  CYS A C   1 
ATOM   333  O O   . CYS A 1 47  ? -24.35700 17.80600  -15.61200 1.000 48.86711 ? 56  CYS A O   1 
ATOM   334  C CB  . CYS A 1 47  ? -25.34400 16.90400  -12.65700 1.000 43.31693 ? 56  CYS A CB  1 
ATOM   335  S SG  . CYS A 1 47  ? -24.01800 18.08200  -12.35700 1.000 50.50704 ? 56  CYS A SG  1 
ATOM   336  N N   . PHE A 1 48  ? -24.52200 15.56300  -15.44300 1.000 44.86737 ? 57  PHE A N   1 
ATOM   337  C CA  . PHE A 1 48  ? -23.50700 15.33100  -16.46700 1.000 45.15999 ? 57  PHE A CA  1 
ATOM   338  C C   . PHE A 1 48  ? -23.95700 15.84000  -17.82800 1.000 47.85424 ? 57  PHE A C   1 
ATOM   339  O O   . PHE A 1 48  ? -23.12600 16.27000  -18.63600 1.000 49.25510 ? 57  PHE A O   1 
ATOM   340  C CB  . PHE A 1 48  ? -23.17400 13.84100  -16.56800 1.000 41.22480 ? 57  PHE A CB  1 
ATOM   341  C CG  . PHE A 1 48  ? -22.55200 13.26500  -15.33000 1.000 43.67924 ? 57  PHE A CG  1 
ATOM   342  C CD1 . PHE A 1 48  ? -21.75600 14.04300  -14.50600 1.000 40.92887 ? 57  PHE A CD1 1 
ATOM   343  C CD2 . PHE A 1 48  ? -22.76100 11.93600  -14.99400 1.000 36.96470 ? 57  PHE A CD2 1 
ATOM   344  C CE1 . PHE A 1 48  ? -21.18500 13.50700  -13.37000 1.000 39.47970 ? 57  PHE A CE1 1 
ATOM   345  C CE2 . PHE A 1 48  ? -22.19200 11.39500  -13.86000 1.000 39.19759 ? 57  PHE A CE2 1 
ATOM   346  C CZ  . PHE A 1 48  ? -21.40500 12.18000  -13.04600 1.000 38.42029 ? 57  PHE A CZ  1 
ATOM   347  N N   . SER A 1 49  ? -25.26300 15.79200  -18.10300 1.000 47.87811 ? 58  SER A N   1 
ATOM   348  C CA  . SER A 1 49  ? -25.77100 16.17700  -19.41400 1.000 47.88199 ? 58  SER A CA  1 
ATOM   349  C C   . SER A 1 49  ? -25.54300 17.65100  -19.71400 1.000 53.14736 ? 58  SER A C   1 
ATOM   350  O O   . SER A 1 49  ? -25.46400 18.02600  -20.88900 1.000 56.17352 ? 58  SER A O   1 
ATOM   351  C CB  . SER A 1 49  ? -27.26000 15.84200  -19.51700 1.000 49.77225 ? 58  SER A CB  1 
ATOM   352  O OG  . SER A 1 49  ? -27.99100 16.44300  -18.46300 1.000 52.10879 ? 58  SER A OG  1 
ATOM   353  N N   . ARG A 1 50  ? -25.42800 18.49400  -18.68400 1.000 53.00284 ? 59  ARG A N   1 
ATOM   354  C CA  . ARG A 1 50  ? -25.13500 19.90400  -18.90700 1.000 57.43875 ? 59  ARG A CA  1 
ATOM   355  C C   . ARG A 1 50  ? -23.76900 20.11300  -19.54400 1.000 60.10231 ? 59  ARG A C   1 
ATOM   356  O O   . ARG A 1 50  ? -23.51000 21.19200  -20.08800 1.000 64.32614 ? 59  ARG A O   1 
ATOM   357  C CB  . ARG A 1 50  ? -25.21700 20.67300  -17.58800 1.000 57.97554 ? 59  ARG A CB  1 
ATOM   358  C CG  . ARG A 1 50  ? -26.54800 20.52900  -16.87700 1.000 61.40944 ? 59  ARG A CG  1 
ATOM   359  C CD  . ARG A 1 50  ? -26.72600 21.60000  -15.81500 1.000 64.26334 ? 59  ARG A CD  1 
ATOM   360  N NE  . ARG A 1 50  ? -28.03300 21.51100  -15.17500 1.000 61.70555 ? 59  ARG A NE  1 
ATOM   361  C CZ  . ARG A 1 50  ? -28.49700 22.38100  -14.28900 1.000 62.20273 ? 59  ARG A CZ  1 
ATOM   362  N NH1 . ARG A 1 50  ? -27.78900 23.43600  -13.92000 1.000 61.74530 ? 59  ARG A NH1 1 
ATOM   363  N NH2 . ARG A 1 50  ? -29.70200 22.18900  -13.76000 1.000 68.93106 ? 59  ARG A NH2 1 
ATOM   364  N N   . PHE A 1 51  ? -22.89700 19.10800  -19.49200 1.000 58.02357 ? 60  PHE A N   1 
ATOM   365  C CA  . PHE A 1 51  ? -21.56200 19.18400  -20.06900 1.000 60.49127 ? 60  PHE A CA  1 
ATOM   366  C C   . PHE A 1 51  ? -21.40000 18.27200  -21.27900 1.000 60.15887 ? 60  PHE A C   1 
ATOM   367  O O   . PHE A 1 51  ? -20.27100 18.06600  -21.73800 1.000 61.74054 ? 60  PHE A O   1 
ATOM   368  C CB  . PHE A 1 51  ? -20.51200 18.84200  -19.00800 1.000 59.19022 ? 60  PHE A CB  1 
ATOM   369  C CG  . PHE A 1 51  ? -20.60500 19.68400  -17.76500 1.000 59.80850 ? 60  PHE A CG  1 
ATOM   370  C CD1 . PHE A 1 51  ? -21.46800 19.33500  -16.73700 1.000 56.65477 ? 60  PHE A CD1 1 
ATOM   371  C CD2 . PHE A 1 51  ? -19.82600 20.82000  -17.62200 1.000 63.90852 ? 60  PHE A CD2 1 
ATOM   372  C CE1 . PHE A 1 51  ? -21.55700 20.10600  -15.59400 1.000 57.63263 ? 60  PHE A CE1 1 
ATOM   373  C CE2 . PHE A 1 51  ? -19.90900 21.59500  -16.48000 1.000 64.90359 ? 60  PHE A CE2 1 
ATOM   374  C CZ  . PHE A 1 51  ? -20.77700 21.23700  -15.46500 1.000 61.78248 ? 60  PHE A CZ  1 
ATOM   375  N N   . ASP A 1 52  ? -22.50100 17.72400  -21.80100 1.000 51.90558 ? 61  ASP A N   1 
ATOM   376  C CA  . ASP A 1 52  ? -22.47500 16.80100  -22.93900 1.000 52.60743 ? 61  ASP A CA  1 
ATOM   377  C C   . ASP A 1 52  ? -21.62300 15.57100  -22.63000 1.000 53.52058 ? 61  ASP A C   1 
ATOM   378  O O   . ASP A 1 52  ? -20.87500 15.07800  -23.47800 1.000 49.91337 ? 61  ASP A O   1 
ATOM   379  C CB  . ASP A 1 52  ? -21.98900 17.50000  -24.21300 1.000 62.51328 ? 61  ASP A CB  1 
ATOM   380  C CG  . ASP A 1 52  ? -22.52000 16.84900  -25.47900 1.000 56.97765 ? 61  ASP A CG  1 
ATOM   381  O OD1 . ASP A 1 52  ? -23.55100 16.14900  -25.40800 1.000 63.06656 ? 61  ASP A OD1 1 
ATOM   382  O OD2 . ASP A 1 52  ? -21.89900 17.03600  -26.54700 1.000 62.18340 ? 61  ASP A OD2 1 
ATOM   383  N N   . LEU A 1 53  ? -21.73700 15.07300  -21.40200 1.000 52.87643 ? 62  LEU A N   1 
ATOM   384  C CA  . LEU A 1 53  ? -20.99500 13.90700  -20.94500 1.000 50.25428 ? 62  LEU A CA  1 
ATOM   385  C C   . LEU A 1 53  ? -21.96000 12.81600  -20.50800 1.000 45.13545 ? 62  LEU A C   1 
ATOM   386  O O   . LEU A 1 53  ? -22.99900 13.09800  -19.90200 1.000 46.40497 ? 62  LEU A O   1 
ATOM   387  C CB  . LEU A 1 53  ? -20.06200 14.25800  -19.77800 1.000 45.61298 ? 62  LEU A CB  1 
ATOM   388  C CG  . LEU A 1 53  ? -18.92700 15.25100  -20.03700 1.000 46.29028 ? 62  LEU A CG  1 
ATOM   389  C CD1 . LEU A 1 53  ? -18.16700 15.53200  -18.75100 1.000 47.65789 ? 62  LEU A CD1 1 
ATOM   390  C CD2 . LEU A 1 53  ? -17.98900 14.72500  -21.11000 1.000 43.20507 ? 62  LEU A CD2 1 
ATOM   391  N N   . SER A 1 54  ? -21.61400 11.57100  -20.82400 1.000 44.31847 ? 63  SER A N   1 
ATOM   392  C CA  . SER A 1 54  ? -22.29500 10.41900  -20.25900 1.000 44.57633 ? 63  SER A CA  1 
ATOM   393  C C   . SER A 1 54  ? -21.64200 10.06100  -18.92600 1.000 40.89953 ? 63  SER A C   1 
ATOM   394  O O   . SER A 1 54  ? -20.72100 10.73600  -18.45900 1.000 42.20539 ? 63  SER A O   1 
ATOM   395  C CB  . SER A 1 54  ? -22.26000 9.24200   -21.23100 1.000 44.57831 ? 63  SER A CB  1 
ATOM   396  O OG  . SER A 1 54  ? -20.93000 8.79700   -21.44000 1.000 45.48132 ? 63  SER A OG  1 
ATOM   397  N N   . SER A 1 55  ? -22.11900 8.98300   -18.30000 1.000 40.19605 ? 64  SER A N   1 
ATOM   398  C CA  . SER A 1 55  ? -21.51900 8.54900   -17.04200 1.000 42.45641 ? 64  SER A CA  1 
ATOM   399  C C   . SER A 1 55  ? -20.11700 7.99300   -17.25800 1.000 36.92048 ? 64  SER A C   1 
ATOM   400  O O   . SER A 1 55  ? -19.20600 8.26900   -16.46800 1.000 37.58384 ? 64  SER A O   1 
ATOM   401  C CB  . SER A 1 55  ? -22.40500 7.51000   -16.35800 1.000 42.61846 ? 64  SER A CB  1 
ATOM   402  O OG  . SER A 1 55  ? -23.44300 8.13300   -15.62300 1.000 50.84420 ? 64  SER A OG  1 
ATOM   403  N N   . TRP A 1 56  ? -19.92200 7.20200   -18.31600 1.000 37.70094 ? 65  TRP A N   1 
ATOM   404  C CA  . TRP A 1 56  ? -18.59800 6.64100   -18.56800 1.000 40.24091 ? 65  TRP A CA  1 
ATOM   405  C C   . TRP A 1 56  ? -17.62500 7.70400   -19.06100 1.000 40.45336 ? 65  TRP A C   1 
ATOM   406  O O   . TRP A 1 56  ? -16.42000 7.60400   -18.80400 1.000 34.13662 ? 65  TRP A O   1 
ATOM   407  C CB  . TRP A 1 56  ? -18.68700 5.48500   -19.56800 1.000 38.16610 ? 65  TRP A CB  1 
ATOM   408  C CG  . TRP A 1 56  ? -19.18300 5.86200   -20.93800 1.000 43.07390 ? 65  TRP A CG  1 
ATOM   409  C CD1 . TRP A 1 56  ? -20.46700 5.78400   -21.39500 1.000 46.55323 ? 65  TRP A CD1 1 
ATOM   410  C CD2 . TRP A 1 56  ? -18.39700 6.35200   -22.03200 1.000 41.55575 ? 65  TRP A CD2 1 
ATOM   411  N NE1 . TRP A 1 56  ? -20.53100 6.20500   -22.70300 1.000 48.62854 ? 65  TRP A NE1 1 
ATOM   412  C CE2 . TRP A 1 56  ? -19.27300 6.56000   -23.11600 1.000 47.92998 ? 65  TRP A CE2 1 
ATOM   413  C CE3 . TRP A 1 56  ? -17.03900 6.64300   -22.19600 1.000 46.05129 ? 65  TRP A CE3 1 
ATOM   414  C CZ2 . TRP A 1 56  ? -18.83400 7.04300   -24.34800 1.000 49.02002 ? 65  TRP A CZ2 1 
ATOM   415  C CZ3 . TRP A 1 56  ? -16.60600 7.12400   -23.41900 1.000 48.91583 ? 65  TRP A CZ3 1 
ATOM   416  C CH2 . TRP A 1 56  ? -17.50100 7.31700   -24.47900 1.000 50.24030 ? 65  TRP A CH2 1 
ATOM   417  N N   . GLU A 1 57  ? -18.12600 8.72400   -19.76200 1.000 40.07499 ? 66  GLU A N   1 
ATOM   418  C CA  . GLU A 1 57  ? -17.26800 9.82400   -20.19000 1.000 38.50070 ? 66  GLU A CA  1 
ATOM   419  C C   . GLU A 1 57  ? -16.75200 10.61300  -18.99400 1.000 35.94590 ? 66  GLU A C   1 
ATOM   420  O O   . GLU A 1 57  ? -15.56500 10.95000  -18.92600 1.000 38.28638 ? 66  GLU A O   1 
ATOM   421  C CB  . GLU A 1 57  ? -18.02900 10.73800  -21.14900 1.000 41.62501 ? 66  GLU A CB  1 
ATOM   422  C CG  . GLU A 1 57  ? -18.04100 10.24900  -22.58200 1.000 49.33914 ? 66  GLU A CG  1 
ATOM   423  C CD  . GLU A 1 57  ? -19.01500 11.01700  -23.44800 1.000 48.20059 ? 66  GLU A CD  1 
ATOM   424  O OE1 . GLU A 1 57  ? -20.06000 11.45200  -22.92000 1.000 48.41969 ? 66  GLU A OE1 1 
ATOM   425  O OE2 . GLU A 1 57  ? -18.73400 11.18800  -24.65200 1.000 50.26462 ? 66  GLU A OE2 1 
ATOM   426  N N   . PHE A 1 58  ? -17.63600 10.92400  -18.04400 1.000 37.04169 ? 67  PHE A N   1 
ATOM   427  C CA  . PHE A 1 58  ? -17.20200 11.58900  -16.82000 1.000 37.73341 ? 67  PHE A CA  1 
ATOM   428  C C   . PHE A 1 58  ? -16.21600 10.72400  -16.04700 1.000 37.49602 ? 67  PHE A C   1 
ATOM   429  O O   . PHE A 1 58  ? -15.21900 11.22800  -15.51500 1.000 37.34364 ? 67  PHE A O   1 
ATOM   430  C CB  . PHE A 1 58  ? -18.41300 11.93200  -15.95200 1.000 39.21075 ? 67  PHE A CB  1 
ATOM   431  C CG  . PHE A 1 58  ? -18.05600 12.55500  -14.63100 1.000 39.17500 ? 67  PHE A CG  1 
ATOM   432  C CD1 . PHE A 1 58  ? -17.84700 13.92200  -14.53100 1.000 38.80862 ? 67  PHE A CD1 1 
ATOM   433  C CD2 . PHE A 1 58  ? -17.93400 11.77700  -13.49000 1.000 36.84373 ? 67  PHE A CD2 1 
ATOM   434  C CE1 . PHE A 1 58  ? -17.51900 14.49900  -13.31800 1.000 35.09602 ? 67  PHE A CE1 1 
ATOM   435  C CE2 . PHE A 1 58  ? -17.60500 12.35000  -12.27600 1.000 35.87295 ? 67  PHE A CE2 1 
ATOM   436  C CZ  . PHE A 1 58  ? -17.39900 13.71400  -12.19200 1.000 34.77660 ? 67  PHE A CZ  1 
ATOM   437  N N   . ASP A 1 59  ? -16.47500 9.41600   -15.97900 1.000 34.76376 ? 68  ASP A N   1 
ATOM   438  C CA  . ASP A 1 59  ? -15.59700 8.52000   -15.23300 1.000 35.87193 ? 68  ASP A CA  1 
ATOM   439  C C   . ASP A 1 59  ? -14.18600 8.53000   -15.81000 1.000 33.73172 ? 68  ASP A C   1 
ATOM   440  O O   . ASP A 1 59  ? -13.20400 8.68200   -15.07500 1.000 32.65117 ? 68  ASP A O   1 
ATOM   441  C CB  . ASP A 1 59  ? -16.17400 7.10300   -15.23400 1.000 36.65549 ? 68  ASP A CB  1 
ATOM   442  C CG  . ASP A 1 59  ? -15.57200 6.22400   -14.15100 1.000 36.78527 ? 68  ASP A CG  1 
ATOM   443  O OD1 . ASP A 1 59  ? -14.74500 6.73100   -13.36400 1.000 33.49739 ? 68  ASP A OD1 1 
ATOM   444  O OD2 . ASP A 1 59  ? -15.93000 5.02900   -14.07900 1.000 30.87230 ? 68  ASP A OD2 1 
ATOM   445  N N   . MET A 1 60  ? -14.06700 8.38800   -17.13200 1.000 36.60450 ? 69  MET A N   1 
ATOM   446  C CA  . MET A 1 60  ? -12.74600 8.34000   -17.75300 1.000 33.70099 ? 69  MET A CA  1 
ATOM   447  C C   . MET A 1 60  ? -12.02400 9.67900   -17.64700 1.000 35.78427 ? 69  MET A C   1 
ATOM   448  O O   . MET A 1 60  ? -10.80300 9.71600   -17.45200 1.000 35.45116 ? 69  MET A O   1 
ATOM   449  C CB  . MET A 1 60  ? -12.86500 7.90900   -19.21400 1.000 38.20673 ? 69  MET A CB  1 
ATOM   450  C CG  . MET A 1 60  ? -13.10800 6.42000   -19.39700 1.000 42.21177 ? 69  MET A CG  1 
ATOM   451  S SD  . MET A 1 60  ? -13.05900 5.92200   -21.12800 1.000 49.50512 ? 69  MET A SD  1 
ATOM   452  C CE  . MET A 1 60  ? -13.18500 4.14300   -20.96500 1.000 48.78678 ? 69  MET A CE  1 
ATOM   453  N N   . LEU A 1 61  ? -12.75400 10.78900  -17.77400 1.000 31.65514 ? 70  LEU A N   1 
ATOM   454  C CA  . LEU A 1 61  ? -12.11200 12.09600  -17.66400 1.000 37.66238 ? 70  LEU A CA  1 
ATOM   455  C C   . LEU A 1 61  ? -11.68900 12.38500  -16.23000 1.000 37.75968 ? 70  LEU A C   1 
ATOM   456  O O   . LEU A 1 61  ? -10.58400 12.88900  -15.99200 1.000 35.21339 ? 70  LEU A O   1 
ATOM   457  C CB  . LEU A 1 61  ? -13.04500 13.19200  -18.18100 1.000 37.61960 ? 70  LEU A CB  1 
ATOM   458  C CG  . LEU A 1 61  ? -13.37100 13.17500  -19.67600 1.000 39.84311 ? 70  LEU A CG  1 
ATOM   459  C CD1 . LEU A 1 61  ? -14.13600 14.43000  -20.06700 1.000 40.27089 ? 70  LEU A CD1 1 
ATOM   460  C CD2 . LEU A 1 61  ? -12.10700 13.02900  -20.51000 1.000 40.92930 ? 70  LEU A CD2 1 
ATOM   461  N N   . ALA A 1 62  ? -12.55300 12.07300  -15.26000 1.000 37.79776 ? 71  ALA A N   1 
ATOM   462  C CA  . ALA A 1 62  ? -12.20800 12.29600  -13.86100 1.000 31.79659 ? 71  ALA A CA  1 
ATOM   463  C C   . ALA A 1 62  ? -11.06300 11.39900  -13.41700 1.000 35.89411 ? 71  ALA A C   1 
ATOM   464  O O   . ALA A 1 62  ? -10.28500 11.78200  -12.53600 1.000 36.63321 ? 71  ALA A O   1 
ATOM   465  C CB  . ALA A 1 62  ? -13.43100 12.07100  -12.97300 1.000 33.42979 ? 71  ALA A CB  1 
ATOM   466  N N   . THR A 1 63  ? -10.94600 10.20700  -14.00800 1.000 34.26415 ? 72  THR A N   1 
ATOM   467  C CA  . THR A 1 63  ? -9.84800  9.31300   -13.65500 1.000 32.23418 ? 72  THR A CA  1 
ATOM   468  C C   . THR A 1 63  ? -8.51100  9.87700   -14.11800 1.000 34.18577 ? 72  THR A C   1 
ATOM   469  O O   . THR A 1 63  ? -7.52700  9.85000   -13.36900 1.000 32.98924 ? 72  THR A O   1 
ATOM   470  C CB  . THR A 1 63  ? -10.08400 7.92600   -14.25300 1.000 32.57704 ? 72  THR A CB  1 
ATOM   471  O OG1 . THR A 1 63  ? -11.31500 7.39100   -13.75200 1.000 31.80921 ? 72  THR A OG1 1 
ATOM   472  C CG2 . THR A 1 63  ? -8.95600  6.99200   -13.87300 1.000 31.79060 ? 72  THR A CG2 1 
ATOM   473  N N   . LEU A 1 64  ? -8.45500  10.39000  -15.35000 1.000 33.68321 ? 73  LEU A N   1 
ATOM   474  C CA  . LEU A 1 64  ? -7.23900  11.04100  -15.82800 1.000 36.09828 ? 73  LEU A CA  1 
ATOM   475  C C   . LEU A 1 64  ? -6.92600  12.28600  -15.00800 1.000 36.43352 ? 73  LEU A C   1 
ATOM   476  O O   . LEU A 1 64  ? -5.75600  12.59100  -14.74700 1.000 37.98941 ? 73  LEU A O   1 
ATOM   477  C CB  . LEU A 1 64  ? -7.38300  11.39900  -17.30700 1.000 35.63763 ? 73  LEU A CB  1 
ATOM   478  C CG  . LEU A 1 64  ? -7.44200  10.23900  -18.30000 1.000 34.70777 ? 73  LEU A CG  1 
ATOM   479  C CD1 . LEU A 1 64  ? -7.91500  10.72800  -19.65700 1.000 43.64561 ? 73  LEU A CD1 1 
ATOM   480  C CD2 . LEU A 1 64  ? -6.07900  9.58200   -18.41800 1.000 36.82208 ? 73  LEU A CD2 1 
ATOM   481  N N   . ARG A 1 65  ? -7.96200  13.01800  -14.59200 1.000 37.44138 ? 74  ARG A N   1 
ATOM   482  C CA  . ARG A 1 65  ? -7.75400  14.20400  -13.76700 1.000 36.63800 ? 74  ARG A CA  1 
ATOM   483  C C   . ARG A 1 65  ? -7.19000  13.83200  -12.40000 1.000 39.71154 ? 74  ARG A C   1 
ATOM   484  O O   . ARG A 1 65  ? -6.30800  14.52400  -11.87700 1.000 38.57209 ? 74  ARG A O   1 
ATOM   485  C CB  . ARG A 1 65  ? -9.06900  14.97300  -13.62400 1.000 35.72758 ? 74  ARG A CB  1 
ATOM   486  C CG  . ARG A 1 65  ? -8.99600  16.17800  -12.70400 1.000 36.11733 ? 74  ARG A CG  1 
ATOM   487  C CD  . ARG A 1 65  ? -7.96600  17.17900  -13.19400 1.000 40.21649 ? 74  ARG A CD  1 
ATOM   488  N NE  . ARG A 1 65  ? -7.79300  18.28500  -12.26000 1.000 41.29953 ? 74  ARG A NE  1 
ATOM   489  C CZ  . ARG A 1 65  ? -6.95100  18.27000  -11.23700 1.000 43.07360 ? 74  ARG A CZ  1 
ATOM   490  N NH1 . ARG A 1 65  ? -6.20000  17.21400  -10.97700 1.000 37.27597 ? 74  ARG A NH1 1 
ATOM   491  N NH2 . ARG A 1 65  ? -6.85700  19.34500  -10.45700 1.000 44.73721 ? 74  ARG A NH2 1 
ATOM   492  N N   . ARG A 1 66  ? -7.67700  12.73500  -11.81500 1.000 32.55608 ? 75  ARG A N   1 
ATOM   493  C CA  . ARG A 1 66  ? -7.20300  12.29700  -10.50600 1.000 33.07022 ? 75  ARG A CA  1 
ATOM   494  C C   . ARG A 1 66  ? -5.74700  11.85400  -10.52300 1.000 32.80295 ? 75  ARG A C   1 
ATOM   495  O O   . ARG A 1 66  ? -5.13000  11.76800  -9.45700  1.000 32.26973 ? 75  ARG A O   1 
ATOM   496  C CB  . ARG A 1 66  ? -8.07100  11.15100  -9.98500  1.000 33.48813 ? 75  ARG A CB  1 
ATOM   497  C CG  . ARG A 1 66  ? -9.40500  11.58900  -9.41500  1.000 35.49428 ? 75  ARG A CG  1 
ATOM   498  C CD  . ARG A 1 66  ? -10.13100 10.43300  -8.73400  1.000 35.24308 ? 75  ARG A CD  1 
ATOM   499  N NE  . ARG A 1 66  ? -11.09900 9.77500   -9.60700  1.000 31.27674 ? 75  ARG A NE  1 
ATOM   500  C CZ  . ARG A 1 66  ? -10.90700 8.60100   -10.19200 1.000 32.69658 ? 75  ARG A CZ  1 
ATOM   501  N NH1 . ARG A 1 66  ? -9.78300  7.92200   -10.02900 1.000 33.68003 ? 75  ARG A NH1 1 
ATOM   502  N NH2 . ARG A 1 66  ? -11.86900 8.09200   -10.95700 1.000 29.86504 ? 75  ARG A NH2 1 
ATOM   503  N N   . ALA A 1 67  ? -5.18900  11.56300  -11.69900 1.000 33.81742 ? 76  ALA A N   1 
ATOM   504  C CA  . ALA A 1 67  ? -3.80900  11.10000  -11.77900 1.000 37.03705 ? 76  ALA A CA  1 
ATOM   505  C C   . ALA A 1 67  ? -2.80500  12.22100  -11.55800 1.000 35.77239 ? 76  ALA A C   1 
ATOM   506  O O   . ALA A 1 67  ? -1.62600  11.94000  -11.31500 1.000 35.41213 ? 76  ALA A O   1 
ATOM   507  C CB  . ALA A 1 67  ? -3.55300  10.44200  -13.13500 1.000 32.93709 ? 76  ALA A CB  1 
ATOM   508  N N   . GLY A 1 68  ? -3.23500  13.47300  -11.63600 1.000 37.32903 ? 77  GLY A N   1 
ATOM   509  C CA  . GLY A 1 68  ? -2.33300  14.59500  -11.51100 1.000 37.48606 ? 77  GLY A CA  1 
ATOM   510  C C   . GLY A 1 68  ? -1.64800  14.93500  -12.82400 1.000 41.73823 ? 77  GLY A C   1 
ATOM   511  O O   . GLY A 1 68  ? -1.61600  14.14900  -13.77000 1.000 41.39085 ? 77  GLY A O   1 
ATOM   512  N N   . ALA A 1 69  ? -1.09400  16.14300  -12.87000 1.000 40.33239 ? 78  ALA A N   1 
ATOM   513  C CA  . ALA A 1 69  ? -0.39300  16.60100  -14.06000 1.000 42.21058 ? 78  ALA A CA  1 
ATOM   514  C C   . ALA A 1 69  ? 0.72700   15.62600  -14.41700 1.000 40.94842 ? 78  ALA A C   1 
ATOM   515  O O   . ALA A 1 69  ? 1.37700   15.07600  -13.52100 1.000 44.33108 ? 78  ALA A O   1 
ATOM   516  C CB  . ALA A 1 69  ? 0.18100   18.00100  -13.83500 1.000 40.76831 ? 78  ALA A CB  1 
ATOM   517  N N   . PRO A 1 70  ? 0.98000   15.38300  -15.71300 1.000 42.75876 ? 79  PRO A N   1 
ATOM   518  C CA  . PRO A 1 70  ? 0.28000   15.97800  -16.85700 1.000 42.11061 ? 79  PRO A CA  1 
ATOM   519  C C   . PRO A 1 70  ? -0.97200  15.21400  -17.30100 1.000 44.01127 ? 79  PRO A C   1 
ATOM   520  O O   . PRO A 1 70  ? -1.30600  15.24400  -18.48800 1.000 44.56673 ? 79  PRO A O   1 
ATOM   521  C CB  . PRO A 1 70  ? 1.34100   15.94600  -17.95500 1.000 44.93548 ? 79  PRO A CB  1 
ATOM   522  C CG  . PRO A 1 70  ? 2.13900   14.72800  -17.64500 1.000 45.93476 ? 79  PRO A CG  1 
ATOM   523  C CD  . PRO A 1 70  ? 2.14400   14.58600  -16.14100 1.000 43.21069 ? 79  PRO A CD  1 
ATOM   524  N N   . HIS A 1 71  ? -1.64000  14.54400  -16.36100 1.000 42.37359 ? 80  HIS A N   1 
ATOM   525  C CA  . HIS A 1 71  ? -2.91300  13.86400  -16.61800 1.000 41.23854 ? 80  HIS A CA  1 
ATOM   526  C C   . HIS A 1 71  ? -2.77500  12.83900  -17.74300 1.000 42.47950 ? 80  HIS A C   1 
ATOM   527  O O   . HIS A 1 71  ? -3.56700  12.80000  -18.68700 1.000 43.74759 ? 80  HIS A O   1 
ATOM   528  C CB  . HIS A 1 71  ? -4.01700  14.87900  -16.92000 1.000 39.36791 ? 80  HIS A CB  1 
ATOM   529  C CG  . HIS A 1 71  ? -4.08600  16.00100  -15.93100 1.000 41.21393 ? 80  HIS A CG  1 
ATOM   530  N ND1 . HIS A 1 71  ? -4.47200  15.81500  -14.62100 1.000 40.91300 ? 80  HIS A ND1 1 
ATOM   531  C CD2 . HIS A 1 71  ? -3.80700  17.32000  -16.05700 1.000 42.42905 ? 80  HIS A CD2 1 
ATOM   532  C CE1 . HIS A 1 71  ? -4.43400  16.97200  -13.98400 1.000 39.94085 ? 80  HIS A CE1 1 
ATOM   533  N NE2 . HIS A 1 71  ? -4.03200  17.90100  -14.83300 1.000 42.69715 ? 80  HIS A NE2 1 
ATOM   534  N N   . CYS A 1 72  ? -1.75000  11.99800  -17.62900 1.000 43.65820 ? 81  CYS A N   1 
ATOM   535  C CA  . CYS A 1 72  ? -1.42900  10.99200  -18.63300 1.000 43.66042 ? 81  CYS A CA  1 
ATOM   536  C C   . CYS A 1 72  ? -1.38600  9.63000   -17.95700 1.000 39.73000 ? 81  CYS A C   1 
ATOM   537  O O   . CYS A 1 72  ? -0.62100  9.43100   -17.00700 1.000 38.20331 ? 81  CYS A O   1 
ATOM   538  C CB  . CYS A 1 72  ? -0.09300  11.30600  -19.31100 1.000 41.22298 ? 81  CYS A CB  1 
ATOM   539  S SG  . CYS A 1 72  ? 0.30500   10.25400  -20.72100 1.000 54.20812 ? 81  CYS A SG  1 
ATOM   540  N N   . LEU A 1 73  ? -2.20500  8.69900   -18.44100 1.000 37.48840 ? 82  LEU A N   1 
ATOM   541  C CA  . LEU A 1 73  ? -2.28300  7.36100   -17.87500 1.000 36.18321 ? 82  LEU A CA  1 
ATOM   542  C C   . LEU A 1 73  ? -2.20300  6.31600   -18.97800 1.000 37.04889 ? 82  LEU A C   1 
ATOM   543  O O   . LEU A 1 73  ? -2.63900  6.54600   -20.10900 1.000 39.28855 ? 82  LEU A O   1 
ATOM   544  C CB  . LEU A 1 73  ? -3.57900  7.15100   -17.07900 1.000 35.44535 ? 82  LEU A CB  1 
ATOM   545  C CG  . LEU A 1 73  ? -3.70100  7.80800   -15.70600 1.000 35.12695 ? 82  LEU A CG  1 
ATOM   546  C CD1 . LEU A 1 73  ? -5.05800  7.49600   -15.09400 1.000 34.33697 ? 82  LEU A CD1 1 
ATOM   547  C CD2 . LEU A 1 73  ? -2.57700  7.34300   -14.79500 1.000 36.54259 ? 82  LEU A CD2 1 
ATOM   548  N N   . SER A 1 74  ? -1.63900  5.16200   -18.63200 1.000 33.75601 ? 83  SER A N   1 
ATOM   549  C CA  . SER A 1 74  ? -1.70200  4.01400   -19.51800 1.000 37.84718 ? 83  SER A CA  1 
ATOM   550  C C   . SER A 1 74  ? -3.10600  3.41100   -19.47400 1.000 33.76984 ? 83  SER A C   1 
ATOM   551  O O   . SER A 1 74  ? -3.83300  3.59000   -18.49300 1.000 32.05354 ? 83  SER A O   1 
ATOM   552  C CB  . SER A 1 74  ? -0.67000  2.96300   -19.11600 1.000 34.83581 ? 83  SER A CB  1 
ATOM   553  O OG  . SER A 1 74  ? -0.99900  2.36800   -17.87200 1.000 33.89541 ? 83  SER A OG  1 
ATOM   554  N N   . PRO A 1 75  ? -3.51800  2.70900   -20.53400 1.000 33.78525 ? 84  PRO A N   1 
ATOM   555  C CA  . PRO A 1 75  ? -4.84500  2.07000   -20.51000 1.000 34.55953 ? 84  PRO A CA  1 
ATOM   556  C C   . PRO A 1 75  ? -5.04500  1.12900   -19.33400 1.000 33.71606 ? 84  PRO A C   1 
ATOM   557  O O   . PRO A 1 75  ? -6.15700  1.05400   -18.79600 1.000 36.29867 ? 84  PRO A O   1 
ATOM   558  C CB  . PRO A 1 75  ? -4.89400  1.32500   -21.85100 1.000 35.64051 ? 84  PRO A CB  1 
ATOM   559  C CG  . PRO A 1 75  ? -3.98500  2.11300   -22.74000 1.000 37.11105 ? 84  PRO A CG  1 
ATOM   560  C CD  . PRO A 1 75  ? -2.87000  2.58700   -21.85200 1.000 35.22226 ? 84  PRO A CD  1 
ATOM   561  N N   . THR A 1 76  ? -4.00100  0.41100   -18.91200 1.000 32.94083 ? 85  THR A N   1 
ATOM   562  C CA  . THR A 1 76  ? -4.12600  -0.45500  -17.74200 1.000 33.38783 ? 85  THR A CA  1 
ATOM   563  C C   . THR A 1 76  ? -4.31500  0.36700   -16.47200 1.000 32.27375 ? 85  THR A C   1 
ATOM   564  O O   . THR A 1 76  ? -5.19200  0.06800   -15.65200 1.000 34.47581 ? 85  THR A O   1 
ATOM   565  C CB  . THR A 1 76  ? -2.90000  -1.36200  -17.62000 1.000 31.76530 ? 85  THR A CB  1 
ATOM   566  O OG1 . THR A 1 76  ? -2.89000  -2.29800  -18.70500 1.000 37.45899 ? 85  THR A OG1 1 
ATOM   567  C CG2 . THR A 1 76  ? -2.92500  -2.12400  -16.30500 1.000 34.39466 ? 85  THR A CG2 1 
ATOM   568  N N   . GLU A 1 77  ? -3.50100  1.41000   -16.29300 1.000 32.84547 ? 86  GLU A N   1 
ATOM   569  C CA  . GLU A 1 77  ? -3.67400  2.29400   -15.14500 1.000 30.58059 ? 86  GLU A CA  1 
ATOM   570  C C   . GLU A 1 77  ? -5.03400  2.97600   -15.17600 1.000 30.91681 ? 86  GLU A C   1 
ATOM   571  O O   . GLU A 1 77  ? -5.68900  3.12000   -14.13700 1.000 28.50014 ? 86  GLU A O   1 
ATOM   572  C CB  . GLU A 1 77  ? -2.55900  3.33900   -15.10800 1.000 36.07892 ? 86  GLU A CB  1 
ATOM   573  C CG  . GLU A 1 77  ? -1.22000  2.82200   -14.61100 1.000 38.09148 ? 86  GLU A CG  1 
ATOM   574  C CD  . GLU A 1 77  ? -0.13500  3.88100   -14.67700 1.000 38.59614 ? 86  GLU A CD  1 
ATOM   575  O OE1 . GLU A 1 77  ? -0.06600  4.59800   -15.69800 1.000 35.26289 ? 86  GLU A OE1 1 
ATOM   576  O OE2 . GLU A 1 77  ? 0.64400   4.00000   -13.70800 1.000 47.58722 ? 86  GLU A OE2 1 
ATOM   577  N N   . LEU A 1 78  ? -5.47400  3.40600   -16.36100 1.000 31.38700 ? 87  LEU A N   1 
ATOM   578  C CA  . LEU A 1 78  ? -6.77500  4.05600   -16.48000 1.000 32.64671 ? 87  LEU A CA  1 
ATOM   579  C C   . LEU A 1 78  ? -7.90100  3.11900   -16.06400 1.000 31.38065 ? 87  LEU A C   1 
ATOM   580  O O   . LEU A 1 78  ? -8.80800  3.51600   -15.32400 1.000 32.61626 ? 87  LEU A O   1 
ATOM   581  C CB  . LEU A 1 78  ? -6.98600  4.54400   -17.91300 1.000 35.35902 ? 87  LEU A CB  1 
ATOM   582  C CG  . LEU A 1 78  ? -8.38700  5.06400   -18.24300 1.000 34.96615 ? 87  LEU A CG  1 
ATOM   583  C CD1 . LEU A 1 78  ? -8.69700  6.30500   -17.43000 1.000 33.47283 ? 87  LEU A CD1 1 
ATOM   584  C CD2 . LEU A 1 78  ? -8.52800  5.34400   -19.73000 1.000 36.15708 ? 87  LEU A CD2 1 
ATOM   585  N N   . PHE A 1 79  ? -7.85600  1.86800   -16.52600 1.000 32.13054 ? 88  PHE A N   1 
ATOM   586  C CA  . PHE A 1 79  ? -8.92100  0.92300   -16.20800 1.000 32.31066 ? 88  PHE A CA  1 
ATOM   587  C C   . PHE A 1 79  ? -8.97300  0.62100   -14.71600 1.000 33.01736 ? 88  PHE A C   1 
ATOM   588  O O   . PHE A 1 79  ? -10.06100 0.52800   -14.13500 1.000 33.97847 ? 88  PHE A O   1 
ATOM   589  C CB  . PHE A 1 79  ? -8.72900  -0.36400  -17.00900 1.000 36.76939 ? 88  PHE A CB  1 
ATOM   590  C CG  . PHE A 1 79  ? -9.82700  -1.37000  -16.81500 1.000 38.40926 ? 88  PHE A CG  1 
ATOM   591  C CD1 . PHE A 1 79  ? -11.01900 -1.25600  -17.51100 1.000 42.12565 ? 88  PHE A CD1 1 
ATOM   592  C CD2 . PHE A 1 79  ? -9.66400  -2.43600  -15.94600 1.000 39.32663 ? 88  PHE A CD2 1 
ATOM   593  C CE1 . PHE A 1 79  ? -12.03100 -2.18100  -17.33900 1.000 43.51320 ? 88  PHE A CE1 1 
ATOM   594  C CE2 . PHE A 1 79  ? -10.67200 -3.36500  -15.76900 1.000 42.18862 ? 88  PHE A CE2 1 
ATOM   595  C CZ  . PHE A 1 79  ? -11.85700 -3.23600  -16.46800 1.000 44.69080 ? 88  PHE A CZ  1 
ATOM   596  N N   . SER A 1 80  ? -7.81100  0.47500   -14.07700 1.000 27.26226 ? 89  SER A N   1 
ATOM   597  C CA  . SER A 1 80  ? -7.78000  0.05700   -12.68100 1.000 33.63552 ? 89  SER A CA  1 
ATOM   598  C C   . SER A 1 80  ? -8.22200  1.15500   -11.72200 1.000 29.00608 ? 89  SER A C   1 
ATOM   599  O O   . SER A 1 80  ? -8.56600  0.85100   -10.57600 1.000 29.08686 ? 89  SER A O   1 
ATOM   600  C CB  . SER A 1 80  ? -6.37600  -0.41800  -12.30500 1.000 33.75435 ? 89  SER A CB  1 
ATOM   601  O OG  . SER A 1 80  ? -5.48300  0.67600   -12.20600 1.000 35.38330 ? 89  SER A OG  1 
ATOM   602  N N   . THR A 1 81  ? -8.22100  2.41700   -12.15100 1.000 28.13617 ? 90  THR A N   1 
ATOM   603  C CA  . THR A 1 81  ? -8.57700  3.52600   -11.27300 1.000 29.91492 ? 90  THR A CA  1 
ATOM   604  C C   . THR A 1 81  ? -9.91400  4.16600   -11.63600 1.000 29.37275 ? 90  THR A C   1 
ATOM   605  O O   . THR A 1 81  ? -10.24900 5.22600   -11.09500 1.000 28.11042 ? 90  THR A O   1 
ATOM   606  C CB  . THR A 1 81  ? -7.46400  4.58000   -11.26300 1.000 27.82415 ? 90  THR A CB  1 
ATOM   607  O OG1 . THR A 1 81  ? -7.04800  4.86500   -12.60300 1.000 31.45927 ? 90  THR A OG1 1 
ATOM   608  C CG2 . THR A 1 81  ? -6.26300  4.07700   -10.46900 1.000 29.54623 ? 90  THR A CG2 1 
ATOM   609  N N   . LEU A 1 82  ? -10.69000 3.54700   -12.52300 1.000 29.29464 ? 91  LEU A N   1 
ATOM   610  C CA  . LEU A 1 82  ? -12.05100 4.00200   -12.77300 1.000 32.46649 ? 91  LEU A CA  1 
ATOM   611  C C   . LEU A 1 82  ? -12.92900 3.73300   -11.55400 1.000 30.75880 ? 91  LEU A C   1 
ATOM   612  O O   . LEU A 1 82  ? -12.68900 2.80200   -10.78200 1.000 28.87065 ? 91  LEU A O   1 
ATOM   613  C CB  . LEU A 1 82  ? -12.64000 3.30000   -13.99800 1.000 30.98599 ? 91  LEU A CB  1 
ATOM   614  C CG  . LEU A 1 82  ? -12.08900 3.63900   -15.38500 1.000 32.73490 ? 91  LEU A CG  1 
ATOM   615  C CD1 . LEU A 1 82  ? -12.67800 2.70400   -16.43100 1.000 32.46002 ? 91  LEU A CD1 1 
ATOM   616  C CD2 . LEU A 1 82  ? -12.38500 5.08600   -15.74300 1.000 31.26458 ? 91  LEU A CD2 1 
ATOM   617  N N   . MET A 1 83  ? -13.95700 4.56500   -11.38200 1.000 31.66114 ? 92  MET A N   1 
ATOM   618  C CA  . MET A 1 83  ? -14.88400 4.36700   -10.27200 1.000 31.74061 ? 92  MET A CA  1 
ATOM   619  C C   . MET A 1 83  ? -15.63800 3.05200   -10.42200 1.000 32.35183 ? 92  MET A C   1 
ATOM   620  O O   . MET A 1 83  ? -15.77100 2.28300   -9.46300  1.000 30.57175 ? 92  MET A O   1 
ATOM   621  C CB  . MET A 1 83  ? -15.85800 5.54100   -10.18400 1.000 31.96979 ? 92  MET A CB  1 
ATOM   622  C CG  . MET A 1 83  ? -16.91900 5.38100   -9.10500  1.000 34.17362 ? 92  MET A CG  1 
ATOM   623  S SD  . MET A 1 83  ? -16.21500 5.38900   -7.44500  1.000 31.81845 ? 92  MET A SD  1 
ATOM   624  C CE  . MET A 1 83  ? -15.75200 7.10800   -7.27900  1.000 35.31966 ? 92  MET A CE  1 
ATOM   625  N N   . VAL A 1 84  ? -16.13900 2.77600   -11.62200 1.000 34.41468 ? 93  VAL A N   1 
ATOM   626  C CA  . VAL A 1 84  ? -16.82100 1.52500   -11.92300 1.000 38.09588 ? 93  VAL A CA  1 
ATOM   627  C C   . VAL A 1 84  ? -16.17400 0.90900   -13.15500 1.000 40.67876 ? 93  VAL A C   1 
ATOM   628  O O   . VAL A 1 84  ? -15.86700 1.61000   -14.12500 1.000 34.77057 ? 93  VAL A O   1 
ATOM   629  C CB  . VAL A 1 84  ? -18.33900 1.72900   -12.13900 1.000 34.44714 ? 93  VAL A CB  1 
ATOM   630  C CG1 . VAL A 1 84  ? -19.01000 2.13000   -10.83600 1.000 31.85881 ? 93  VAL A CG1 1 
ATOM   631  C CG2 . VAL A 1 84  ? -18.60300 2.77400   -13.21500 1.000 36.03406 ? 93  VAL A CG2 1 
ATOM   632  N N   . THR A 1 85  ? -15.95000 -0.40000  -13.10700 1.000 50.52443 ? 94  THR A N   1 
ATOM   633  C CA  . THR A 1 85  ? -15.41200 -1.10700  -14.25500 1.000 52.18491 ? 94  THR A CA  1 
ATOM   634  C C   . THR A 1 85  ? -16.52700 -1.42800  -15.24700 1.000 52.77216 ? 94  THR A C   1 
ATOM   635  O O   . THR A 1 85  ? -17.71800 -1.31500  -14.94800 1.000 53.89986 ? 94  THR A O   1 
ATOM   636  C CB  . THR A 1 85  ? -14.70100 -2.38600  -13.81300 1.000 54.30507 ? 94  THR A CB  1 
ATOM   637  O OG1 . THR A 1 85  ? -15.51800 -3.08300  -12.86400 1.000 56.33347 ? 94  THR A OG1 1 
ATOM   638  C CG2 . THR A 1 85  ? -13.35000 -2.06100  -13.18100 1.000 49.55173 ? 94  THR A CG2 1 
ATOM   639  N N   . SER A 1 86  ? -16.12300 -1.82900  -16.45200 1.000 54.91068 ? 95  SER A N   1 
ATOM   640  C CA  . SER A 1 86  ? -17.08900 -2.16000  -17.49500 1.000 53.34255 ? 95  SER A CA  1 
ATOM   641  C C   . SER A 1 86  ? -16.41100 -3.08800  -18.50400 1.000 54.25091 ? 95  SER A C   1 
ATOM   642  O O   . SER A 1 86  ? -15.46400 -3.79900  -18.15500 1.000 52.49232 ? 95  SER A O   1 
ATOM   643  C CB  . SER A 1 86  ? -17.63700 -0.86100  -18.12200 1.000 54.72534 ? 95  SER A CB  1 
ATOM   644  N N   . GLY A 1 87  ? -16.89000 -3.07100  -19.74300 1.000 55.70772 ? 96  GLY A N   1 
ATOM   645  C CA  . GLY A 1 87  ? -16.30500 -3.86300  -20.80600 1.000 56.87249 ? 96  GLY A CA  1 
ATOM   646  C C   . GLY A 1 87  ? -15.02300 -3.25400  -21.32900 1.000 55.29492 ? 96  GLY A C   1 
ATOM   647  O O   . GLY A 1 87  ? -14.31000 -2.53300  -20.62000 1.000 49.00087 ? 96  GLY A O   1 
ATOM   648  N N   . THR A 1 88  ? -14.72500 -3.54800  -22.59200 1.000 53.44561 ? 97  THR A N   1 
ATOM   649  C CA  . THR A 1 88  ? -13.53900 -3.00500  -23.23100 1.000 51.49259 ? 97  THR A CA  1 
ATOM   650  C C   . THR A 1 88  ? -13.64100 -1.48600  -23.34800 1.000 51.58068 ? 97  THR A C   1 
ATOM   651  O O   . THR A 1 88  ? -14.72900 -0.90400  -23.33000 1.000 53.64692 ? 97  THR A O   1 
ATOM   652  C CB  . THR A 1 88  ? -13.33900 -3.62600  -24.61600 1.000 52.98242 ? 97  THR A CB  1 
ATOM   653  O OG1 . THR A 1 88  ? -12.09500 -3.17700  -25.16600 1.000 56.04167 ? 97  THR A OG1 1 
ATOM   654  C CG2 . THR A 1 88  ? -14.46900 -3.22400  -25.55400 1.000 51.36684 ? 97  THR A CG2 1 
ATOM   655  N N   . MET A 1 89  ? -12.48100 -0.84200  -23.46300 1.000 53.68842 ? 98  MET A N   1 
ATOM   656  C CA  . MET A 1 89  ? -12.40100 0.60600   -23.59000 1.000 51.01598 ? 98  MET A CA  1 
ATOM   657  C C   . MET A 1 89  ? -12.07700 1.05700   -25.00800 1.000 47.02670 ? 98  MET A C   1 
ATOM   658  O O   . MET A 1 89  ? -11.89000 2.25600   -25.23500 1.000 48.06628 ? 98  MET A O   1 
ATOM   659  C CB  . MET A 1 89  ? -11.35200 1.16700   -22.62500 1.000 48.91760 ? 98  MET A CB  1 
ATOM   660  C CG  . MET A 1 89  ? -11.56900 0.80700   -21.16500 1.000 47.17341 ? 98  MET A CG  1 
ATOM   661  S SD  . MET A 1 89  ? -10.37300 1.61700   -20.08100 1.000 47.04579 ? 98  MET A SD  1 
ATOM   662  C CE  . MET A 1 89  ? -8.82900  1.06300   -20.80000 1.000 40.28885 ? 98  MET A CE  1 
ATOM   663  N N   . THR A 1 90  ? -12.01000 0.12400   -25.96300 1.000 50.72438 ? 99  THR A N   1 
ATOM   664  C CA  . THR A 1 90  ? -11.56200 0.44900   -27.31600 1.000 51.89335 ? 99  THR A CA  1 
ATOM   665  C C   . THR A 1 90  ? -12.42400 1.53900   -27.94400 1.000 48.52644 ? 99  THR A C   1 
ATOM   666  O O   . THR A 1 90  ? -11.91900 2.58500   -28.36800 1.000 51.00255 ? 99  THR A O   1 
ATOM   667  C CB  . THR A 1 90  ? -11.57500 -0.81100  -28.18600 1.000 49.00855 ? 99  THR A CB  1 
ATOM   668  O OG1 . THR A 1 90  ? -10.64300 -1.76700  -27.66700 1.000 54.16911 ? 99  THR A OG1 1 
ATOM   669  C CG2 . THR A 1 90  ? -11.19700 -0.47200  -29.61800 1.000 50.44235 ? 99  THR A CG2 1 
ATOM   670  N N   . HIS A 1 91  ? -13.73500 1.31000   -28.00800 1.000 50.21784 ? 100 HIS A N   1 
ATOM   671  C CA  . HIS A 1 91  ? -14.62300 2.26000   -28.66700 1.000 51.35888 ? 100 HIS A CA  1 
ATOM   672  C C   . HIS A 1 91  ? -14.87300 3.49700   -27.81600 1.000 48.48282 ? 100 HIS A C   1 
ATOM   673  O O   . HIS A 1 91  ? -15.04200 4.59400   -28.36000 1.000 49.06962 ? 100 HIS A O   1 
ATOM   674  C CB  . HIS A 1 91  ? -15.94300 1.57200   -29.01000 1.000 53.56501 ? 100 HIS A CB  1 
ATOM   675  C CG  . HIS A 1 91  ? -15.77700 0.16100   -29.48200 1.000 53.00713 ? 100 HIS A CG  1 
ATOM   676  N ND1 . HIS A 1 91  ? -15.58200 -0.16300  -30.80800 1.000 56.16748 ? 100 HIS A ND1 1 
ATOM   677  C CD2 . HIS A 1 91  ? -15.76400 -1.01000  -28.80300 1.000 52.43323 ? 100 HIS A CD2 1 
ATOM   678  C CE1 . HIS A 1 91  ? -15.46300 -1.47300  -30.92500 1.000 56.94742 ? 100 HIS A CE1 1 
ATOM   679  N NE2 . HIS A 1 91  ? -15.57000 -2.01100  -29.72400 1.000 54.35288 ? 100 HIS A NE2 1 
ATOM   680  N N   . ARG A 1 92  ? -14.89300 3.34600   -26.49100 1.000 48.17423 ? 101 ARG A N   1 
ATOM   681  C CA  . ARG A 1 92  ? -15.11900 4.49500   -25.62200 1.000 46.91086 ? 101 ARG A CA  1 
ATOM   682  C C   . ARG A 1 92  ? -13.95200 5.47300   -25.68300 1.000 47.97668 ? 101 ARG A C   1 
ATOM   683  O O   . ARG A 1 92  ? -14.15800 6.69100   -25.73100 1.000 48.83974 ? 101 ARG A O   1 
ATOM   684  C CB  . ARG A 1 92  ? -15.36400 4.02400   -24.18900 1.000 50.07179 ? 101 ARG A CB  1 
ATOM   685  C CG  . ARG A 1 92  ? -16.69600 3.31700   -24.00700 1.000 47.90840 ? 101 ARG A CG  1 
ATOM   686  C CD  . ARG A 1 92  ? -16.93000 2.92500   -22.55900 1.000 48.14234 ? 101 ARG A CD  1 
ATOM   687  N NE  . ARG A 1 92  ? -18.29100 2.44700   -22.34600 1.000 44.83465 ? 101 ARG A NE  1 
ATOM   688  C CZ  . ARG A 1 92  ? -18.79500 2.12300   -21.16400 1.000 45.94277 ? 101 ARG A CZ  1 
ATOM   689  N NH1 . ARG A 1 92  ? -18.07100 2.20100   -20.05900 1.000 45.63305 ? 101 ARG A NH1 1 
ATOM   690  N NH2 . ARG A 1 92  ? -20.05700 1.71300   -21.08700 1.000 52.08142 ? 101 ARG A NH2 1 
ATOM   691  N N   . LEU A 1 93  ? -12.71800 4.95900   -25.68200 1.000 48.40983 ? 102 LEU A N   1 
ATOM   692  C CA  . LEU A 1 93  ? -11.56100 5.83000   -25.85300 1.000 49.36653 ? 102 LEU A CA  1 
ATOM   693  C C   . LEU A 1 93  ? -11.53100 6.45300   -27.24300 1.000 48.73296 ? 102 LEU A C   1 
ATOM   694  O O   . LEU A 1 93  ? -11.09900 7.60100   -27.39700 1.000 48.53200 ? 102 LEU A O   1 
ATOM   695  C CB  . LEU A 1 93  ? -10.27000 5.05000   -25.59100 1.000 45.52678 ? 102 LEU A CB  1 
ATOM   696  C CG  . LEU A 1 93  ? -9.94800  4.71300   -24.13400 1.000 45.51299 ? 102 LEU A CG  1 
ATOM   697  C CD1 . LEU A 1 93  ? -8.83700  3.67800   -24.05300 1.000 47.51662 ? 102 LEU A CD1 1 
ATOM   698  C CD2 . LEU A 1 93  ? -9.55800  5.97200   -23.37800 1.000 45.74447 ? 102 LEU A CD2 1 
ATOM   699  N N   . LYS A 1 94  ? -11.99300 5.71900   -28.25900 1.000 48.23856 ? 103 LYS A N   1 
ATOM   700  C CA  . LYS A 1 94  ? -11.99100 6.24800   -29.61900 1.000 50.03677 ? 103 LYS A CA  1 
ATOM   701  C C   . LYS A 1 94  ? -12.95400 7.41900   -29.77400 1.000 51.09631 ? 103 LYS A C   1 
ATOM   702  O O   . LYS A 1 94  ? -12.68100 8.34300   -30.54800 1.000 52.92202 ? 103 LYS A O   1 
ATOM   703  C CB  . LYS A 1 94  ? -12.33900 5.14000   -30.61100 1.000 52.43111 ? 103 LYS A CB  1 
ATOM   704  N N   . ARG A 1 95  ? -14.07800 7.40200   -29.05400 1.000 50.50199 ? 104 ARG A N   1 
ATOM   705  C CA  . ARG A 1 95  ? -15.01600 8.51700   -29.13400 1.000 51.29259 ? 104 ARG A CA  1 
ATOM   706  C C   . ARG A 1 95  ? -14.48400 9.74200   -28.40000 1.000 51.95053 ? 104 ARG A C   1 
ATOM   707  O O   . ARG A 1 95  ? -14.59700 10.86800  -28.89900 1.000 53.57624 ? 104 ARG A O   1 
ATOM   708  C CB  . ARG A 1 95  ? -16.37700 8.11000   -28.57000 1.000 51.05398 ? 104 ARG A CB  1 
ATOM   709  C CG  . ARG A 1 95  ? -17.41200 9.21800   -28.65600 1.000 56.56441 ? 104 ARG A CG  1 
ATOM   710  C CD  . ARG A 1 95  ? -18.64000 8.92700   -27.81400 1.000 54.48198 ? 104 ARG A CD  1 
ATOM   711  N NE  . ARG A 1 95  ? -19.56800 10.05100  -27.83700 1.000 58.15038 ? 104 ARG A NE  1 
ATOM   712  C CZ  . ARG A 1 95  ? -20.68500 10.12200  -27.12600 1.000 58.50188 ? 104 ARG A CZ  1 
ATOM   713  N NH1 . ARG A 1 95  ? -21.04900 9.14500   -26.31200 1.000 51.68683 ? 104 ARG A NH1 1 
ATOM   714  N NH2 . ARG A 1 95  ? -21.45600 11.20000  -27.23500 1.000 58.30370 ? 104 ARG A NH2 1 
ATOM   715  N N   . LEU A 1 96  ? -13.90800 9.54300   -27.21000 1.000 50.04290 ? 105 LEU A N   1 
ATOM   716  C CA  . LEU A 1 96  ? -13.31500 10.65700  -26.47600 1.000 52.01613 ? 105 LEU A CA  1 
ATOM   717  C C   . LEU A 1 96  ? -12.19600 11.31400  -27.27100 1.000 55.63239 ? 105 LEU A C   1 
ATOM   718  O O   . LEU A 1 96  ? -11.97900 12.52600  -27.15600 1.000 51.15514 ? 105 LEU A O   1 
ATOM   719  C CB  . LEU A 1 96  ? -12.78900 10.17700  -25.12200 1.000 49.12318 ? 105 LEU A CB  1 
ATOM   720  C CG  . LEU A 1 96  ? -13.81700 9.85700   -24.03700 1.000 44.94425 ? 105 LEU A CG  1 
ATOM   721  C CD1 . LEU A 1 96  ? -13.13400 9.25200   -22.82100 1.000 45.14191 ? 105 LEU A CD1 1 
ATOM   722  C CD2 . LEU A 1 96  ? -14.58500 11.10800  -23.64600 1.000 42.75655 ? 105 LEU A CD2 1 
ATOM   723  N N   . GLU A 1 97  ? -11.47900 10.53300  -28.08000 1.000 53.50288 ? 106 GLU A N   1 
ATOM   724  C CA  . GLU A 1 97  ? -10.43500 11.09900  -28.92400 1.000 53.67032 ? 106 GLU A CA  1 
ATOM   725  C C   . GLU A 1 97  ? -11.03100 11.93200  -30.05300 1.000 55.58738 ? 106 GLU A C   1 
ATOM   726  O O   . GLU A 1 97  ? -10.47000 12.96600  -30.43300 1.000 58.81921 ? 106 GLU A O   1 
ATOM   727  C CB  . GLU A 1 97  ? -9.55700  9.97800   -29.48000 1.000 54.54048 ? 106 GLU A CB  1 
ATOM   728  C CG  . GLU A 1 97  ? -8.36000  10.44800  -30.28500 1.000 60.04653 ? 106 GLU A CG  1 
ATOM   729  C CD  . GLU A 1 97  ? -7.52700  9.29200   -30.80400 1.000 66.42384 ? 106 GLU A CD  1 
ATOM   730  O OE1 . GLU A 1 97  ? -7.95000  8.12900   -30.63000 1.000 63.75596 ? 106 GLU A OE1 1 
ATOM   731  O OE2 . GLU A 1 97  ? -6.44900  9.54300   -31.38200 1.000 68.34647 ? 106 GLU A OE2 1 
ATOM   732  N N   . THR A 1 98  ? -12.17200 11.50100  -30.59700 1.000 54.34894 ? 107 THR A N   1 
ATOM   733  C CA  . THR A 1 98  ? -12.81700 12.25500  -31.66800 1.000 59.85024 ? 107 THR A CA  1 
ATOM   734  C C   . THR A 1 98  ? -13.35200 13.58800  -31.15900 1.000 59.21363 ? 107 THR A C   1 
ATOM   735  O O   . THR A 1 98  ? -13.28800 14.60200  -31.86400 1.000 59.26000 ? 107 THR A O   1 
ATOM   736  C CB  . THR A 1 98  ? -13.94300 11.42400  -32.28600 1.000 58.81018 ? 107 THR A CB  1 
ATOM   737  O OG1 . THR A 1 98  ? -13.40300 10.20600  -32.81300 1.000 62.47205 ? 107 THR A OG1 1 
ATOM   738  C CG2 . THR A 1 98  ? -14.63400 12.19200  -33.40400 1.000 62.31538 ? 107 THR A CG2 1 
ATOM   739  N N   . ARG A 1 99  ? -13.87400 13.60500  -29.93500 1.000 57.86089 ? 108 ARG A N   1 
ATOM   740  C CA  . ARG A 1 99  ? -14.38900 14.82200  -29.32100 1.000 54.50620 ? 108 ARG A CA  1 
ATOM   741  C C   . ARG A 1 99  ? -13.28700 15.76700  -28.86500 1.000 53.68003 ? 108 ARG A C   1 
ATOM   742  O O   . ARG A 1 99  ? -13.59300 16.87900  -28.42100 1.000 53.93948 ? 108 ARG A O   1 
ATOM   743  C CB  . ARG A 1 99  ? -15.28900 14.46500  -28.13400 1.000 55.47823 ? 108 ARG A CB  1 
ATOM   744  C CG  . ARG A 1 99  ? -16.45200 13.55200  -28.49400 1.000 54.36252 ? 108 ARG A CG  1 
ATOM   745  C CD  . ARG A 1 99  ? -17.45100 13.44800  -27.35300 1.000 55.97145 ? 108 ARG A CD  1 
ATOM   746  N NE  . ARG A 1 99  ? -18.00100 14.75100  -26.99900 1.000 53.19734 ? 108 ARG A NE  1 
ATOM   747  C CZ  . ARG A 1 99  ? -18.85800 14.96200  -26.01000 1.000 57.73208 ? 108 ARG A CZ  1 
ATOM   748  N NH1 . ARG A 1 99  ? -19.29300 13.97100  -25.24700 1.000 54.18815 ? 108 ARG A NH1 1 
ATOM   749  N NH2 . ARG A 1 99  ? -19.28900 16.19900  -25.77800 1.000 57.88117 ? 108 ARG A NH2 1 
ATOM   750  N N   . GLY A 1 100 ? -12.02400 15.35900  -28.95900 1.000 54.84687 ? 109 GLY A N   1 
ATOM   751  C CA  . GLY A 1 100 ? -10.92200 16.21100  -28.56600 1.000 56.46590 ? 109 GLY A CA  1 
ATOM   752  C C   . GLY A 1 100 ? -10.65800 16.27900  -27.08000 1.000 55.08712 ? 109 GLY A C   1 
ATOM   753  O O   . GLY A 1 100 ? -9.89300  17.14700  -26.64300 1.000 49.37679 ? 109 GLY A O   1 
ATOM   754  N N   . PHE A 1 101 ? -11.26400 15.39300  -26.28800 1.000 53.11619 ? 110 PHE A N   1 
ATOM   755  C CA  . PHE A 1 101 ? -11.05500 15.42200  -24.84500 1.000 50.23959 ? 110 PHE A CA  1 
ATOM   756  C C   . PHE A 1 101 ? -9.78900  14.68300  -24.43400 1.000 50.57758 ? 110 PHE A C   1 
ATOM   757  O O   . PHE A 1 101 ? -9.17700  15.03200  -23.41900 1.000 49.28975 ? 110 PHE A O   1 
ATOM   758  C CB  . PHE A 1 101 ? -12.26900 14.83100  -24.12600 1.000 51.86167 ? 110 PHE A CB  1 
ATOM   759  C CG  . PHE A 1 101 ? -13.52900 15.63200  -24.30500 1.000 52.15209 ? 110 PHE A CG  1 
ATOM   760  C CD1 . PHE A 1 101 ? -13.47100 16.99000  -24.57800 1.000 55.36862 ? 110 PHE A CD1 1 
ATOM   761  C CD2 . PHE A 1 101 ? -14.77000 15.02900  -24.20000 1.000 52.44767 ? 110 PHE A CD2 1 
ATOM   762  C CE1 . PHE A 1 101 ? -14.62800 17.73000  -24.74400 1.000 54.30985 ? 110 PHE A CE1 1 
ATOM   763  C CE2 . PHE A 1 101 ? -15.93000 15.76400  -24.36300 1.000 53.10504 ? 110 PHE A CE2 1 
ATOM   764  C CZ  . PHE A 1 101 ? -15.85800 17.11500  -24.63700 1.000 55.40025 ? 110 PHE A CZ  1 
ATOM   765  N N   . ILE A 1 102 ? -9.38300  13.66600  -25.19500 1.000 53.54065 ? 111 ILE A N   1 
ATOM   766  C CA  . ILE A 1 102 ? -8.16400  12.91900  -24.91100 1.000 52.62591 ? 111 ILE A CA  1 
ATOM   767  C C   . ILE A 1 102 ? -7.39500  12.71700  -26.20900 1.000 51.99030 ? 111 ILE A C   1 
ATOM   768  O O   . ILE A 1 102 ? -7.96800  12.71900  -27.30300 1.000 52.69703 ? 111 ILE A O   1 
ATOM   769  C CB  . ILE A 1 102 ? -8.45100  11.55400  -24.23800 1.000 50.15531 ? 111 ILE A CB  1 
ATOM   770  C CG1 . ILE A 1 102 ? -9.22800  10.63300  -25.18100 1.000 53.85645 ? 111 ILE A CG1 1 
ATOM   771  C CG2 . ILE A 1 102 ? -9.20600  11.73800  -22.92700 1.000 47.41374 ? 111 ILE A CG2 1 
ATOM   772  C CD1 . ILE A 1 102 ? -8.42900  9.44700   -25.67300 1.000 53.25176 ? 111 ILE A CD1 1 
ATOM   773  N N   . GLU A 1 103 ? -6.08300  12.53800  -26.07800 1.000 52.17979 ? 112 GLU A N   1 
ATOM   774  C CA  . GLU A 1 103 ? -5.21000  12.20700  -27.19400 1.000 52.25298 ? 112 GLU A CA  1 
ATOM   775  C C   . GLU A 1 103 ? -4.36400  10.99900  -26.82000 1.000 51.81116 ? 112 GLU A C   1 
ATOM   776  O O   . GLU A 1 103 ? -3.93700  10.86400  -25.66900 1.000 53.22516 ? 112 GLU A O   1 
ATOM   777  C CB  . GLU A 1 103 ? -4.30800  13.38900  -27.57000 1.000 56.57348 ? 112 GLU A CB  1 
ATOM   778  N N   . ARG A 1 104 ? -4.13200  10.11800  -27.79000 1.000 55.50177 ? 113 ARG A N   1 
ATOM   779  C CA  . ARG A 1 104 ? -3.31400  8.92400   -27.58500 1.000 52.76286 ? 113 ARG A CA  1 
ATOM   780  C C   . ARG A 1 104 ? -1.88900  9.23700   -28.03000 1.000 53.70843 ? 113 ARG A C   1 
ATOM   781  O O   . ARG A 1 104 ? -1.59800  9.30000   -29.22700 1.000 53.19139 ? 113 ARG A O   1 
ATOM   782  C CB  . ARG A 1 104 ? -3.88900  7.72600   -28.33300 1.000 56.01557 ? 113 ARG A CB  1 
ATOM   783  C CG  . ARG A 1 104 ? -4.89600  6.92100   -27.52300 1.000 58.00194 ? 113 ARG A CG  1 
ATOM   784  C CD  . ARG A 1 104 ? -5.22000  5.59600   -28.19700 1.000 57.62132 ? 113 ARG A CD  1 
ATOM   785  N NE  . ARG A 1 104 ? -5.97700  4.70800   -27.32300 1.000 52.93795 ? 113 ARG A NE  1 
ATOM   786  N N   . VAL A 1 105 ? -1.00300  9.43300   -27.05900 1.000 51.62032 ? 114 VAL A N   1 
ATOM   787  C CA  . VAL A 1 105 ? 0.39900   9.73100   -27.31900 1.000 52.72832 ? 114 VAL A CA  1 
ATOM   788  C C   . VAL A 1 105 ? 1.20200   8.44300   -27.21300 1.000 51.04697 ? 114 VAL A C   1 
ATOM   789  O O   . VAL A 1 105 ? 0.82400   7.50100   -26.50600 1.000 48.96997 ? 114 VAL A O   1 
ATOM   790  C CB  . VAL A 1 105 ? 0.93200   10.80600  -26.34800 1.000 51.73694 ? 114 VAL A CB  1 
ATOM   791  C CG1 . VAL A 1 105 ? 0.06600   12.05400  -26.41500 1.000 53.20706 ? 114 VAL A CG1 1 
ATOM   792  C CG2 . VAL A 1 105 ? 0.98300   10.26600  -24.92800 1.000 47.61140 ? 114 VAL A CG2 1 
ATOM   793  N N   . GLN A 1 106 ? 2.32400   8.39800   -27.92500 1.000 50.36328 ? 115 GLN A N   1 
ATOM   794  C CA  . GLN A 1 106 ? 3.17000   7.21300   -27.92200 1.000 53.22774 ? 115 GLN A CA  1 
ATOM   795  C C   . GLN A 1 106 ? 3.99900   7.16100   -26.64500 1.000 51.58224 ? 115 GLN A C   1 
ATOM   796  O O   . GLN A 1 106 ? 4.56500   8.17300   -26.21800 1.000 50.53843 ? 115 GLN A O   1 
ATOM   797  C CB  . GLN A 1 106 ? 4.08200   7.20100   -29.14800 1.000 52.18206 ? 115 GLN A CB  1 
ATOM   798  C CG  . GLN A 1 106 ? 5.17900   6.14800   -29.08900 1.000 54.92109 ? 115 GLN A CG  1 
ATOM   799  C CD  . GLN A 1 106 ? 5.88800   5.96400   -30.41600 1.000 61.62356 ? 115 GLN A CD  1 
ATOM   800  O OE1 . GLN A 1 106 ? 7.10100   6.15000   -30.51800 1.000 60.08687 ? 115 GLN A OE1 1 
ATOM   801  N NE2 . GLN A 1 106 ? 5.13300   5.58800   -31.44200 1.000 62.90480 ? 115 GLN A NE2 1 
ATOM   802  N N   . ASN A 1 107 ? 4.05900   5.98200   -26.03000 1.000 53.06378 ? 116 ASN A N   1 
ATOM   803  C CA  . ASN A 1 107 ? 4.88900   5.79400   -24.84900 1.000 54.07467 ? 116 ASN A CA  1 
ATOM   804  C C   . ASN A 1 107 ? 6.35600   5.94500   -25.22600 1.000 53.18507 ? 116 ASN A C   1 
ATOM   805  O O   . ASN A 1 107 ? 6.84500   5.27600   -26.14100 1.000 56.03996 ? 116 ASN A O   1 
ATOM   806  C CB  . ASN A 1 107 ? 4.63200   4.41800   -24.23400 1.000 50.82455 ? 116 ASN A CB  1 
ATOM   807  C CG  . ASN A 1 107 ? 5.15400   4.30300   -22.81200 1.000 52.23588 ? 116 ASN A CG  1 
ATOM   808  O OD1 . ASN A 1 107 ? 6.09600   4.99300   -22.42100 1.000 53.04583 ? 116 ASN A OD1 1 
ATOM   809  N ND2 . ASN A 1 107 ? 4.54200   3.42200   -22.03100 1.000 49.70994 ? 116 ASN A ND2 1 
ATOM   810  N N   . GLU A 1 108 ? 7.05900   6.83700   -24.52600 1.000 53.29671 ? 117 GLU A N   1 
ATOM   811  C CA  . GLU A 1 108 ? 8.47200   7.04800   -24.82100 1.000 54.46313 ? 117 GLU A CA  1 
ATOM   812  C C   . GLU A 1 108 ? 9.31700   5.84500   -24.42500 1.000 57.62375 ? 117 GLU A C   1 
ATOM   813  O O   . GLU A 1 108 ? 10.39600  5.63400   -24.99200 1.000 54.38300 ? 117 GLU A O   1 
ATOM   814  C CB  . GLU A 1 108 ? 8.97500   8.30700   -24.11400 1.000 51.98020 ? 117 GLU A CB  1 
ATOM   815  N N   . LEU A 1 109 ? 8.85200   5.05300   -23.45800 1.000 55.51589 ? 118 LEU A N   1 
ATOM   816  C CA  . LEU A 1 109 ? 9.55900   3.85700   -23.02200 1.000 53.85019 ? 118 LEU A CA  1 
ATOM   817  C C   . LEU A 1 109 ? 9.20700   2.62600   -23.84600 1.000 53.02980 ? 118 LEU A C   1 
ATOM   818  O O   . LEU A 1 109 ? 9.85600   1.58600   -23.68600 1.000 50.28957 ? 118 LEU A O   1 
ATOM   819  C CB  . LEU A 1 109 ? 9.26400   3.58200   -21.54200 1.000 55.85969 ? 118 LEU A CB  1 
ATOM   820  C CG  . LEU A 1 109 ? 9.45700   4.76400   -20.58800 1.000 56.24606 ? 118 LEU A CG  1 
ATOM   821  C CD1 . LEU A 1 109 ? 9.18700   4.34600   -19.15100 1.000 52.37420 ? 118 LEU A CD1 1 
ATOM   822  C CD2 . LEU A 1 109 ? 10.85100  5.35600   -20.72500 1.000 51.55230 ? 118 LEU A CD2 1 
ATOM   823  N N   . ASP A 1 110 ? 8.19900   2.71500   -24.71300 1.000 53.04883 ? 119 ASP A N   1 
ATOM   824  C CA  . ASP A 1 110 ? 7.83600   1.60400   -25.59100 1.000 54.13137 ? 119 ASP A CA  1 
ATOM   825  C C   . ASP A 1 110 ? 7.10700   2.18900   -26.79300 1.000 56.11163 ? 119 ASP A C   1 
ATOM   826  O O   . ASP A 1 110 ? 5.98100   2.67600   -26.65400 1.000 56.76641 ? 119 ASP A O   1 
ATOM   827  C CB  . ASP A 1 110 ? 6.96800   0.58600   -24.86100 1.000 52.63337 ? 119 ASP A CB  1 
ATOM   828  C CG  . ASP A 1 110 ? 6.62900   -0.61600  -25.72400 1.000 54.25435 ? 119 ASP A CG  1 
ATOM   829  O OD1 . ASP A 1 110 ? 7.32200   -0.83600  -26.73800 1.000 59.06691 ? 119 ASP A OD1 1 
ATOM   830  O OD2 . ASP A 1 110 ? 5.66400   -1.33700  -25.39500 1.000 54.16550 ? 119 ASP A OD2 1 
ATOM   831  N N   . ALA A 1 111 ? 7.74400   2.13000   -27.96600 1.000 56.48068 ? 120 ALA A N   1 
ATOM   832  C CA  . ALA A 1 111 ? 7.16800   2.75000   -29.15600 1.000 58.31339 ? 120 ALA A CA  1 
ATOM   833  C C   . ALA A 1 111 ? 5.87000   2.06800   -29.57200 1.000 59.97338 ? 120 ALA A C   1 
ATOM   834  O O   . ALA A 1 111 ? 4.93700   2.73000   -30.04200 1.000 61.20323 ? 120 ALA A O   1 
ATOM   835  C CB  . ALA A 1 111 ? 8.18000   2.72400   -30.30100 1.000 59.98867 ? 120 ALA A CB  1 
ATOM   836  N N   . ARG A 1 112 ? 5.79100   0.74700   -29.41000 1.000 60.30148 ? 121 ARG A N   1 
ATOM   837  C CA  . ARG A 1 112 ? 4.59600   -0.01300  -29.75400 1.000 58.97999 ? 121 ARG A CA  1 
ATOM   838  C C   . ARG A 1 112 ? 3.52700   0.03600   -28.66800 1.000 60.37086 ? 121 ARG A C   1 
ATOM   839  O O   . ARG A 1 112 ? 2.61500   -0.80000  -28.67300 1.000 63.30509 ? 121 ARG A O   1 
ATOM   840  C CB  . ARG A 1 112 ? 4.96900   -1.46600  -30.06800 1.000 61.33625 ? 121 ARG A CB  1 
ATOM   841  C CG  . ARG A 1 112 ? 5.51400   -1.66600  -31.47700 1.000 66.67997 ? 121 ARG A CG  1 
ATOM   842  C CD  . ARG A 1 112 ? 6.37700   -2.91500  -31.58800 1.000 69.44989 ? 121 ARG A CD  1 
ATOM   843  N NE  . ARG A 1 112 ? 5.62500   -4.14200  -31.35700 1.000 69.38872 ? 121 ARG A NE  1 
ATOM   844  C CZ  . ARG A 1 112 ? 5.18200   -4.94300  -32.31700 1.000 68.39532 ? 121 ARG A CZ  1 
ATOM   845  N NH1 . ARG A 1 112 ? 5.39400   -4.67300  -33.59400 1.000 75.39481 ? 121 ARG A NH1 1 
ATOM   846  N NH2 . ARG A 1 112 ? 4.51400   -6.04500  -31.98700 1.000 66.01271 ? 121 ARG A NH2 1 
ATOM   847  N N   . SER A 1 113 ? 3.61700   0.99100   -27.74500 1.000 59.91856 ? 122 SER A N   1 
ATOM   848  C CA  . SER A 1 113 ? 2.61700   1.19300   -26.70900 1.000 57.95464 ? 122 SER A CA  1 
ATOM   849  C C   . SER A 1 113 ? 2.06300   2.60800   -26.80500 1.000 55.26436 ? 122 SER A C   1 
ATOM   850  O O   . SER A 1 113 ? 2.72600   3.52000   -27.30800 1.000 56.54266 ? 122 SER A O   1 
ATOM   851  C CB  . SER A 1 113 ? 3.20100   0.95300   -25.31000 1.000 50.39708 ? 122 SER A CB  1 
ATOM   852  N N   . THR A 1 114 ? 0.83800   2.78400   -26.32000 1.000 53.59004 ? 123 THR A N   1 
ATOM   853  C CA  . THR A 1 114 ? 0.15500   4.06700   -26.37000 1.000 51.54151 ? 123 THR A CA  1 
ATOM   854  C C   . THR A 1 114 ? -0.25500  4.49500   -24.96800 1.000 45.95566 ? 123 THR A C   1 
ATOM   855  O O   . THR A 1 114 ? -0.50400  3.66100   -24.09200 1.000 50.41897 ? 123 THR A O   1 
ATOM   856  C CB  . THR A 1 114 ? -1.08400  4.00800   -27.27400 1.000 51.45745 ? 123 THR A CB  1 
ATOM   857  N N   . LEU A 1 115 ? -0.32000  5.80700   -24.76400 1.000 49.07691 ? 124 LEU A N   1 
ATOM   858  C CA  . LEU A 1 115 ? -0.75600  6.38900   -23.50500 1.000 45.99020 ? 124 LEU A CA  1 
ATOM   859  C C   . LEU A 1 115 ? -1.92300  7.33400   -23.76000 1.000 47.87190 ? 124 LEU A C   1 
ATOM   860  O O   . LEU A 1 115 ? -2.06800  7.88600   -24.85400 1.000 50.90173 ? 124 LEU A O   1 
ATOM   861  C CB  . LEU A 1 115 ? 0.38900   7.13800   -22.80900 1.000 44.59666 ? 124 LEU A CB  1 
ATOM   862  C CG  . LEU A 1 115 ? 1.62500   6.30300   -22.46500 1.000 46.38459 ? 124 LEU A CG  1 
ATOM   863  C CD1 . LEU A 1 115 ? 2.68900   7.16100   -21.80100 1.000 42.11936 ? 124 LEU A CD1 1 
ATOM   864  C CD2 . LEU A 1 115 ? 1.24700   5.12900   -21.57500 1.000 41.08558 ? 124 LEU A CD2 1 
ATOM   865  N N   . VAL A 1 116 ? -2.75800  7.51100   -22.74100 1.000 44.08145 ? 125 VAL A N   1 
ATOM   866  C CA  . VAL A 1 116 ? -3.93900  8.36200   -22.82700 1.000 47.44268 ? 125 VAL A CA  1 
ATOM   867  C C   . VAL A 1 116 ? -3.65000  9.65200   -22.07500 1.000 44.55058 ? 125 VAL A C   1 
ATOM   868  O O   . VAL A 1 116 ? -3.39600  9.63200   -20.86500 1.000 38.63635 ? 125 VAL A O   1 
ATOM   869  C CB  . VAL A 1 116 ? -5.18200  7.65900   -22.26100 1.000 42.73454 ? 125 VAL A CB  1 
ATOM   870  C CG1 . VAL A 1 116 ? -6.40100  8.55900   -22.38000 1.000 46.51904 ? 125 VAL A CG1 1 
ATOM   871  C CG2 . VAL A 1 116 ? -5.41500  6.33800   -22.97600 1.000 45.23059 ? 125 VAL A CG2 1 
ATOM   872  N N   . GLN A 1 117 ? -3.69100  10.77600  -22.78500 1.000 45.80688 ? 126 GLN A N   1 
ATOM   873  C CA  . GLN A 1 117 ? -3.40700  12.08100  -22.20500 1.000 49.87593 ? 126 GLN A CA  1 
ATOM   874  C C   . GLN A 1 117 ? -4.63900  12.96800  -22.30300 1.000 48.48130 ? 126 GLN A C   1 
ATOM   875  O O   . GLN A 1 117 ? -5.19700  13.14900  -23.39000 1.000 48.20830 ? 126 GLN A O   1 
ATOM   876  C CB  . GLN A 1 117 ? -2.22100  12.75500  -22.89900 1.000 48.92925 ? 126 GLN A CB  1 
ATOM   877  C CG  . GLN A 1 117 ? -2.05700  14.22200  -22.52900 1.000 54.18674 ? 126 GLN A CG  1 
ATOM   878  C CD  . GLN A 1 117 ? -0.63100  14.57900  -22.17000 1.000 49.90072 ? 126 GLN A CD  1 
ATOM   879  O OE1 . GLN A 1 117 ? 0.23600   14.67600  -23.03800 1.000 58.55118 ? 126 GLN A OE1 1 
ATOM   880  N NE2 . GLN A 1 117 ? -0.38000  14.77700  -20.88100 1.000 45.62754 ? 126 GLN A NE2 1 
ATOM   881  N N   . LEU A 1 118 ? -5.05300  13.51800  -21.16500 1.000 45.46076 ? 127 LEU A N   1 
ATOM   882  C CA  . LEU A 1 118 ? -6.15500  14.47000  -21.13200 1.000 46.13515 ? 127 LEU A CA  1 
ATOM   883  C C   . LEU A 1 118 ? -5.73600  15.76100  -21.82500 1.000 49.82769 ? 127 LEU A C   1 
ATOM   884  O O   . LEU A 1 118 ? -4.74100  16.38400  -21.43900 1.000 47.97535 ? 127 LEU A O   1 
ATOM   885  C CB  . LEU A 1 118 ? -6.55900  14.73500  -19.68400 1.000 44.42535 ? 127 LEU A CB  1 
ATOM   886  C CG  . LEU A 1 118 ? -7.73700  15.66100  -19.38700 1.000 48.00963 ? 127 LEU A CG  1 
ATOM   887  C CD1 . LEU A 1 118 ? -9.02400  15.10500  -19.97400 1.000 48.94784 ? 127 LEU A CD1 1 
ATOM   888  C CD2 . LEU A 1 118 ? -7.86800  15.85000  -17.88500 1.000 44.44537 ? 127 LEU A CD2 1 
ATOM   889  N N   . THR A 1 119 ? -6.48400  16.16100  -22.85100 1.000 50.31495 ? 128 THR A N   1 
ATOM   890  C CA  . THR A 1 119 ? -6.16100  17.39400  -23.55100 1.000 51.24746 ? 128 THR A CA  1 
ATOM   891  C C   . THR A 1 119 ? -6.53400  18.60200  -22.69500 1.000 52.47204 ? 128 THR A C   1 
ATOM   892  O O   . THR A 1 119 ? -7.18100  18.48700  -21.64900 1.000 50.04839 ? 128 THR A O   1 
ATOM   893  C CB  . THR A 1 119 ? -6.88200  17.46600  -24.89800 1.000 52.90116 ? 128 THR A CB  1 
ATOM   894  O OG1 . THR A 1 119 ? -8.28800  17.64300  -24.68500 1.000 53.49862 ? 128 THR A OG1 1 
ATOM   895  C CG2 . THR A 1 119 ? -6.64800  16.19400  -25.70200 1.000 53.66479 ? 128 THR A CG2 1 
ATOM   896  N N   . SER A 1 120 ? -6.11000  19.78100  -23.15400 1.000 56.58263 ? 129 SER A N   1 
ATOM   897  C CA  . SER A 1 120 ? -6.44800  21.01400  -22.45600 1.000 57.00471 ? 129 SER A CA  1 
ATOM   898  C C   . SER A 1 120 ? -7.94000  21.31300  -22.50700 1.000 56.97631 ? 129 SER A C   1 
ATOM   899  O O   . SER A 1 120 ? -8.44900  22.01500  -21.62700 1.000 56.48403 ? 129 SER A O   1 
ATOM   900  C CB  . SER A 1 120 ? -5.65700  22.18400  -23.04400 1.000 60.48528 ? 129 SER A CB  1 
ATOM   901  O OG  . SER A 1 120 ? -5.86800  23.36900  -22.29700 1.000 61.15137 ? 129 SER A OG  1 
ATOM   902  N N   . SER A 1 121 ? -8.64900  20.79700  -23.51400 1.000 57.81743 ? 130 SER A N   1 
ATOM   903  C CA  . SER A 1 121 ? -10.09700 20.96500  -23.56400 1.000 57.87451 ? 130 SER A CA  1 
ATOM   904  C C   . SER A 1 121 ? -10.78300 20.07700  -22.53500 1.000 54.17739 ? 130 SER A C   1 
ATOM   905  O O   . SER A 1 121 ? -11.64900 20.53500  -21.78000 1.000 53.47947 ? 130 SER A O   1 
ATOM   906  C CB  . SER A 1 121 ? -10.61200 20.65900  -24.97100 1.000 60.27195 ? 130 SER A CB  1 
ATOM   907  N N   . GLY A 1 122 ? -10.40400 18.79800  -22.48600 1.000 52.95720 ? 131 GLY A N   1 
ATOM   908  C CA  . GLY A 1 122 ? -10.97500 17.90100  -21.49800 1.000 52.05504 ? 131 GLY A CA  1 
ATOM   909  C C   . GLY A 1 122 ? -10.61300 18.27400  -20.07500 1.000 49.08743 ? 131 GLY A C   1 
ATOM   910  O O   . GLY A 1 122 ? -11.38100 18.00500  -19.14700 1.000 51.48493 ? 131 GLY A O   1 
ATOM   911  N N   . LEU A 1 123 ? -9.44900  18.89700  -19.88100 1.000 51.21553 ? 132 LEU A N   1 
ATOM   912  C CA  . LEU A 1 123 ? -9.04600  19.31300  -18.54100 1.000 50.37531 ? 132 LEU A CA  1 
ATOM   913  C C   . LEU A 1 123 ? -9.93100  20.44000  -18.02400 1.000 48.64433 ? 132 LEU A C   1 
ATOM   914  O O   . LEU A 1 123 ? -10.36400 20.41500  -16.86500 1.000 51.54914 ? 132 LEU A O   1 
ATOM   915  C CB  . LEU A 1 123 ? -7.57800  19.73800  -18.54300 1.000 48.51285 ? 132 LEU A CB  1 
ATOM   916  C CG  . LEU A 1 123 ? -7.01700  20.25600  -17.21800 1.000 47.54678 ? 132 LEU A CG  1 
ATOM   917  C CD1 . LEU A 1 123 ? -7.19500  19.22300  -16.12100 1.000 44.56521 ? 132 LEU A CD1 1 
ATOM   918  C CD2 . LEU A 1 123 ? -5.55100  20.63300  -17.36900 1.000 49.20451 ? 132 LEU A CD2 1 
ATOM   919  N N   . GLU A 1 124 ? -10.20900 21.44000  -18.86500 1.000 51.65986 ? 133 GLU A N   1 
ATOM   920  C CA  . GLU A 1 124 ? -11.09200 22.52500  -18.45200 1.000 52.11156 ? 133 GLU A CA  1 
ATOM   921  C C   . GLU A 1 124 ? -12.52400 22.04000  -18.26900 1.000 52.17328 ? 133 GLU A C   1 
ATOM   922  O O   . GLU A 1 124 ? -13.24300 22.54100  -17.39700 1.000 50.83884 ? 133 GLU A O   1 
ATOM   923  C CB  . GLU A 1 124 ? -11.03900 23.66300  -19.47300 1.000 57.11908 ? 133 GLU A CB  1 
ATOM   924  C CG  . GLU A 1 124 ? -11.82900 24.89900  -19.07500 1.000 61.47419 ? 133 GLU A CG  1 
ATOM   925  N N   . LEU A 1 125 ? -12.95400 21.06600  -19.07300 1.000 53.53014 ? 134 LEU A N   1 
ATOM   926  C CA  . LEU A 1 125 ? -14.30200 20.53100  -18.92500 1.000 52.02269 ? 134 LEU A CA  1 
ATOM   927  C C   . LEU A 1 125 ? -14.43900 19.73500  -17.63200 1.000 47.15402 ? 134 LEU A C   1 
ATOM   928  O O   . LEU A 1 125 ? -15.39800 19.92600  -16.87500 1.000 48.93692 ? 134 LEU A O   1 
ATOM   929  C CB  . LEU A 1 125 ? -14.65800 19.66100  -20.13100 1.000 53.22497 ? 134 LEU A CB  1 
ATOM   930  C CG  . LEU A 1 125 ? -15.99900 18.93100  -20.03900 1.000 49.49439 ? 134 LEU A CG  1 
ATOM   931  C CD1 . LEU A 1 125 ? -17.14100 19.92500  -19.91400 1.000 53.57316 ? 134 LEU A CD1 1 
ATOM   932  C CD2 . LEU A 1 125 ? -16.20400 18.02300  -21.23800 1.000 51.17817 ? 134 LEU A CD2 1 
ATOM   933  N N   . ILE A 1 126 ? -13.48300 18.84400  -17.35700 1.000 49.51714 ? 135 ILE A N   1 
ATOM   934  C CA  . ILE A 1 126 ? -13.62300 17.95800  -16.20500 1.000 45.97638 ? 135 ILE A CA  1 
ATOM   935  C C   . ILE A 1 126 ? -13.45100 18.72500  -14.90000 1.000 43.35023 ? 135 ILE A C   1 
ATOM   936  O O   . ILE A 1 126 ? -13.99800 18.32800  -13.86600 1.000 40.75090 ? 135 ILE A O   1 
ATOM   937  C CB  . ILE A 1 126 ? -12.63800 16.77600  -16.30400 1.000 47.02836 ? 135 ILE A CB  1 
ATOM   938  C CG1 . ILE A 1 126 ? -13.04400 15.66300  -15.33500 1.000 43.16359 ? 135 ILE A CG1 1 
ATOM   939  C CG2 . ILE A 1 126 ? -11.21200 17.22500  -16.01400 1.000 42.66868 ? 135 ILE A CG2 1 
ATOM   940  C CD1 . ILE A 1 126 ? -14.48400 15.22300  -15.48000 1.000 40.95018 ? 135 ILE A CD1 1 
ATOM   941  N N   . ASN A 1 127 ? -12.70700 19.83400  -14.91600 1.000 45.33841 ? 136 ASN A N   1 
ATOM   942  C CA  . ASN A 1 127 ? -12.58500 20.63500  -13.70300 1.000 43.78417 ? 136 ASN A CA  1 
ATOM   943  C C   . ASN A 1 127 ? -13.89200 21.34100  -13.36800 1.000 48.50196 ? 136 ASN A C   1 
ATOM   944  O O   . ASN A 1 127 ? -14.21300 21.51800  -12.18800 1.000 48.28946 ? 136 ASN A O   1 
ATOM   945  C CB  . ASN A 1 127 ? -11.44900 21.64600  -13.84800 1.000 50.13556 ? 136 ASN A CB  1 
ATOM   946  C CG  . ASN A 1 127 ? -10.08800 21.03100  -13.58300 1.000 48.05286 ? 136 ASN A CG  1 
ATOM   947  O OD1 . ASN A 1 127 ? -9.92200  20.24000  -12.65400 1.000 43.26176 ? 136 ASN A OD1 1 
ATOM   948  N ND2 . ASN A 1 127 ? -9.10800  21.38700  -14.40300 1.000 51.15929 ? 136 ASN A ND2 1 
ATOM   949  N N   . ARG A 1 128 ? -14.65800 21.74500  -14.38400 1.000 48.21437 ? 137 ARG A N   1 
ATOM   950  C CA  . ARG A 1 128 ? -15.96200 22.34400  -14.13000 1.000 48.16453 ? 137 ARG A CA  1 
ATOM   951  C C   . ARG A 1 128 ? -17.00800 21.28100  -13.82000 1.000 45.30938 ? 137 ARG A C   1 
ATOM   952  O O   . ARG A 1 128 ? -17.88000 21.49400  -12.97200 1.000 47.08871 ? 137 ARG A O   1 
ATOM   953  C CB  . ARG A 1 128 ? -16.39900 23.19300  -15.32900 1.000 53.79593 ? 137 ARG A CB  1 
ATOM   954  C CG  . ARG A 1 128 ? -15.50900 24.39800  -15.59400 1.000 53.72659 ? 137 ARG A CG  1 
ATOM   955  C CD  . ARG A 1 128 ? -16.07300 25.30600  -16.68400 1.000 63.75755 ? 137 ARG A CD  1 
ATOM   956  N NE  . ARG A 1 128 ? -16.11100 24.65900  -17.99000 1.000 64.28862 ? 137 ARG A NE  1 
ATOM   957  C CZ  . ARG A 1 128 ? -17.22000 24.25400  -18.59600 1.000 67.40328 ? 137 ARG A CZ  1 
ATOM   958  N NH1 . ARG A 1 128 ? -18.41200 24.43200  -18.04900 1.000 65.56234 ? 137 ARG A NH1 1 
ATOM   959  N NH2 . ARG A 1 128 ? -17.13100 23.66100  -19.78300 1.000 66.96233 ? 137 ARG A NH2 1 
ATOM   960  N N   . ALA A 1 129 ? -16.92800 20.13000  -14.49000 1.000 45.56074 ? 138 ALA A N   1 
ATOM   961  C CA  . ALA A 1 129 ? -17.92000 19.08100  -14.28100 1.000 45.45233 ? 138 ALA A CA  1 
ATOM   962  C C   . ALA A 1 129 ? -17.80300 18.46900  -12.89000 1.000 42.83215 ? 138 ALA A C   1 
ATOM   963  O O   . ALA A 1 129 ? -18.81900 18.16700  -12.25500 1.000 41.12031 ? 138 ALA A O   1 
ATOM   964  C CB  . ALA A 1 129 ? -17.78000 18.00200  -15.35500 1.000 47.89713 ? 138 ALA A CB  1 
ATOM   965  N N   . VAL A 1 130 ? -16.57500 18.27700  -12.39700 1.000 43.08922 ? 139 VAL A N   1 
ATOM   966  C CA  . VAL A 1 130 ? -16.40900 17.64900  -11.09000 1.000 38.99752 ? 139 VAL A CA  1 
ATOM   967  C C   . VAL A 1 130 ? -16.94100 18.55200  -9.98300  1.000 37.99044 ? 139 VAL A C   1 
ATOM   968  O O   . VAL A 1 130 ? -17.42900 18.06400  -8.95600  1.000 38.26789 ? 139 VAL A O   1 
ATOM   969  C CB  . VAL A 1 130 ? -14.93400 17.26200  -10.85500 1.000 37.47809 ? 139 VAL A CB  1 
ATOM   970  C CG1 . VAL A 1 130 ? -14.06000 18.49700  -10.69100 1.000 45.31340 ? 139 VAL A CG1 1 
ATOM   971  C CG2 . VAL A 1 130 ? -14.80800 16.35900  -9.64200  1.000 37.43644 ? 139 VAL A CG2 1 
ATOM   972  N N   . GLU A 1 131 ? -16.87800 19.87200  -10.17100 1.000 41.25864 ? 140 GLU A N   1 
ATOM   973  C CA  . GLU A 1 131 ? -17.40600 20.78800  -9.16500  1.000 42.01759 ? 140 GLU A CA  1 
ATOM   974  C C   . GLU A 1 131 ? -18.92300 20.68200  -9.07200  1.000 42.33543 ? 140 GLU A C   1 
ATOM   975  O O   . GLU A 1 131 ? -19.48200 20.57400  -7.97400  1.000 42.20235 ? 140 GLU A O   1 
ATOM   976  C CB  . GLU A 1 131 ? -16.97900 22.22100  -9.48600  1.000 46.95264 ? 140 GLU A CB  1 
ATOM   977  C CG  . GLU A 1 131 ? -15.48500 22.46200  -9.34300  1.000 45.41802 ? 140 GLU A CG  1 
ATOM   978  C CD  . GLU A 1 131 ? -15.04900 23.79100  -9.92500  1.000 50.17172 ? 140 GLU A CD  1 
ATOM   979  O OE1 . GLU A 1 131 ? -15.81100 24.37000  -10.72700 1.000 50.96460 ? 140 GLU A OE1 1 
ATOM   980  O OE2 . GLU A 1 131 ? -13.94200 24.25800  -9.58000  1.000 51.16720 ? 140 GLU A OE2 1 
ATOM   981  N N   . ALA A 1 132 ? -19.60700 20.70800  -10.21900 1.000 43.04281 ? 141 ALA A N   1 
ATOM   982  C CA  . ALA A 1 132 ? -21.06000 20.56500  -10.21500 1.000 43.54569 ? 141 ALA A CA  1 
ATOM   983  C C   . ALA A 1 132 ? -21.48300 19.15800  -9.81600  1.000 40.41708 ? 141 ALA A C   1 
ATOM   984  O O   . ALA A 1 132 ? -22.53000 18.98300  -9.18200  1.000 40.50983 ? 141 ALA A O   1 
ATOM   985  C CB  . ALA A 1 132 ? -21.62800 20.92100  -11.58900 1.000 45.42447 ? 141 ALA A CB  1 
ATOM   986  N N   . HIS A 1 133 ? -20.68600 18.14900  -10.17700 1.000 39.28572 ? 142 HIS A N   1 
ATOM   987  C CA  . HIS A 1 133 ? -21.00300 16.77200  -9.81000  1.000 39.88885 ? 142 HIS A CA  1 
ATOM   988  C C   . HIS A 1 133 ? -20.96500 16.58100  -8.29900  1.000 39.80985 ? 142 HIS A C   1 
ATOM   989  O O   . HIS A 1 133 ? -21.83200 15.91000  -7.72800  1.000 36.99096 ? 142 HIS A O   1 
ATOM   990  C CB  . HIS A 1 133 ? -20.02800 15.81900  -10.50300 1.000 36.58685 ? 142 HIS A CB  1 
ATOM   991  C CG  . HIS A 1 133 ? -20.06900 14.41600  -9.98300  1.000 36.91047 ? 142 HIS A CG  1 
ATOM   992  N ND1 . HIS A 1 133 ? -21.15800 13.59000  -10.15000 1.000 35.22187 ? 142 HIS A ND1 1 
ATOM   993  C CD2 . HIS A 1 133 ? -19.14400 13.68700  -9.31300  1.000 37.68428 ? 142 HIS A CD2 1 
ATOM   994  C CE1 . HIS A 1 133 ? -20.90700 12.41500  -9.60200  1.000 37.85932 ? 142 HIS A CE1 1 
ATOM   995  N NE2 . HIS A 1 133 ? -19.69100 12.44700  -9.08700  1.000 35.50519 ? 142 HIS A NE2 1 
ATOM   996  N N   . ILE A 1 134 ? -19.96700 17.16800  -7.63600  1.000 35.31817 ? 143 ILE A N   1 
ATOM   997  C CA  . ILE A 1 134 ? -19.85000 17.04100  -6.18700  1.000 34.78653 ? 143 ILE A CA  1 
ATOM   998  C C   . ILE A 1 134 ? -21.02900 17.71500  -5.49600  1.000 40.28315 ? 143 ILE A C   1 
ATOM   999  O O   . ILE A 1 134 ? -21.64300 17.14800  -4.58300  1.000 40.28506 ? 143 ILE A O   1 
ATOM   1000 C CB  . ILE A 1 134 ? -18.50600 17.62100  -5.71000  1.000 42.34234 ? 143 ILE A CB  1 
ATOM   1001 C CG1 . ILE A 1 134 ? -17.35400 16.68700  -6.09000  1.000 39.99992 ? 143 ILE A CG1 1 
ATOM   1002 C CG2 . ILE A 1 134 ? -18.52700 17.86700  -4.21300  1.000 44.01010 ? 143 ILE A CG2 1 
ATOM   1003 C CD1 . ILE A 1 134 ? -15.98200 17.27700  -5.83500  1.000 39.34553 ? 143 ILE A CD1 1 
ATOM   1004 N N   . GLU A 1 135 ? -21.36500 18.93600  -5.92100  1.000 40.45745 ? 144 GLU A N   1 
ATOM   1005 C CA  . GLU A 1 135 ? -22.50400 19.63300  -5.33300  1.000 41.96809 ? 144 GLU A CA  1 
ATOM   1006 C C   . GLU A 1 135 ? -23.80000 18.87600  -5.58600  1.000 41.69745 ? 144 GLU A C   1 
ATOM   1007 O O   . GLU A 1 135 ? -24.67900 18.82500  -4.71700  1.000 42.52210 ? 144 GLU A O   1 
ATOM   1008 C CB  . GLU A 1 135 ? -22.59200 21.05500  -5.88700  1.000 45.43621 ? 144 GLU A CB  1 
ATOM   1009 N N   . ASN A 1 136 ? -23.93500 18.27300  -6.77100  1.000 41.95922 ? 145 ASN A N   1 
ATOM   1010 C CA  . ASN A 1 136 ? -25.13000 17.49200  -7.07400  1.000 41.69137 ? 145 ASN A CA  1 
ATOM   1011 C C   . ASN A 1 136 ? -25.24500 16.28400  -6.15400  1.000 40.70066 ? 145 ASN A C   1 
ATOM   1012 O O   . ASN A 1 136 ? -26.32800 15.99200  -5.63300  1.000 40.27384 ? 145 ASN A O   1 
ATOM   1013 C CB  . ASN A 1 136 ? -25.10700 17.04900  -8.53700  1.000 40.74029 ? 145 ASN A CB  1 
ATOM   1014 C CG  . ASN A 1 136 ? -26.34100 16.26000  -8.92500  1.000 40.71103 ? 145 ASN A CG  1 
ATOM   1015 O OD1 . ASN A 1 136 ? -27.45100 16.56200  -8.48200  1.000 39.08716 ? 145 ASN A OD1 1 
ATOM   1016 N ND2 . ASN A 1 136 ? -26.15400 15.24000  -9.75600  1.000 35.53282 ? 145 ASN A ND2 1 
ATOM   1017 N N   . GLU A 1 137 ? -24.13500 15.57200  -5.94000  1.000 37.16966 ? 146 GLU A N   1 
ATOM   1018 C CA  . GLU A 1 137 ? -24.15200 14.40900  -5.06100  1.000 38.93447 ? 146 GLU A CA  1 
ATOM   1019 C C   . GLU A 1 137 ? -24.46100 14.79100  -3.62000  1.000 36.24936 ? 146 GLU A C   1 
ATOM   1020 O O   . GLU A 1 137 ? -25.10400 14.01600  -2.90100  1.000 36.98346 ? 146 GLU A O   1 
ATOM   1021 C CB  . GLU A 1 137 ? -22.81300 13.67700  -5.13500  1.000 35.14673 ? 146 GLU A CB  1 
ATOM   1022 C CG  . GLU A 1 137 ? -22.57000 12.98900  -6.46300  1.000 34.23301 ? 146 GLU A CG  1 
ATOM   1023 C CD  . GLU A 1 137 ? -21.43100 11.99600  -6.40200  1.000 39.00256 ? 146 GLU A CD  1 
ATOM   1024 O OE1 . GLU A 1 137 ? -20.36800 12.34500  -5.84800  1.000 39.67917 ? 146 GLU A OE1 1 
ATOM   1025 O OE2 . GLU A 1 137 ? -21.60200 10.86400  -6.90400  1.000 33.42431 ? 146 GLU A OE2 1 
ATOM   1026 N N   . ARG A 1 138 ? -24.01000 15.96800  -3.18200  1.000 37.10754 ? 147 ARG A N   1 
ATOM   1027 C CA  . ARG A 1 138 ? -24.31900 16.41900  -1.82900  1.000 41.78206 ? 147 ARG A CA  1 
ATOM   1028 C C   . ARG A 1 138 ? -25.81300 16.66700  -1.65900  1.000 40.34037 ? 147 ARG A C   1 
ATOM   1029 O O   . ARG A 1 138 ? -26.38500 16.34400  -0.61200  1.000 40.90347 ? 147 ARG A O   1 
ATOM   1030 C CB  . ARG A 1 138 ? -23.52400 17.68400  -1.50300  1.000 43.16291 ? 147 ARG A CB  1 
ATOM   1031 C CG  . ARG A 1 138 ? -23.58600 18.09400  -0.04100  1.000 45.77273 ? 147 ARG A CG  1 
ATOM   1032 C CD  . ARG A 1 138 ? -22.76700 19.34900  0.21900   1.000 49.87033 ? 147 ARG A CD  1 
ATOM   1033 N NE  . ARG A 1 138 ? -21.45800 19.29400  -0.42400  1.000 57.44208 ? 147 ARG A NE  1 
ATOM   1034 C CZ  . ARG A 1 138 ? -20.39700 18.67500  0.07700   1.000 53.13771 ? 147 ARG A CZ  1 
ATOM   1035 N NH1 . ARG A 1 138 ? -20.45200 18.02900  1.23000   1.000 49.96190 ? 147 ARG A NH1 1 
ATOM   1036 N NH2 . ARG A 1 138 ? -19.25100 18.70500  -0.59700  1.000 50.50496 ? 147 ARG A NH2 1 
ATOM   1037 N N   . GLN A 1 139 ? -26.46100 17.23900  -2.67800  1.000 40.43882 ? 148 GLN A N   1 
ATOM   1038 C CA  . GLN A 1 139 ? -27.89700 17.49100  -2.59100  1.000 42.47263 ? 148 GLN A CA  1 
ATOM   1039 C C   . GLN A 1 139 ? -28.68600 16.18900  -2.55100  1.000 41.50833 ? 148 GLN A C   1 
ATOM   1040 O O   . GLN A 1 139 ? -29.71100 16.09900  -1.86500  1.000 42.72480 ? 148 GLN A O   1 
ATOM   1041 C CB  . GLN A 1 139 ? -28.35400 18.35000  -3.76900  1.000 44.86096 ? 148 GLN A CB  1 
ATOM   1042 C CG  . GLN A 1 139 ? -27.69700 19.71400  -3.84300  1.000 51.15646 ? 148 GLN A CG  1 
ATOM   1043 C CD  . GLN A 1 139 ? -28.10300 20.48100  -5.08500  1.000 60.38051 ? 148 GLN A CD  1 
ATOM   1044 O OE1 . GLN A 1 139 ? -27.60700 21.57900  -5.34100  1.000 57.76140 ? 148 GLN A OE1 1 
ATOM   1045 N NE2 . GLN A 1 139 ? -29.00900 19.90300  -5.86600  1.000 55.66003 ? 148 GLN A NE2 1 
ATOM   1046 N N   . VAL A 1 140 ? -28.22700 15.17200  -3.28500  1.000 39.37507 ? 149 VAL A N   1 
ATOM   1047 C CA  . VAL A 1 140 ? -28.92600 13.89000  -3.30300  1.000 40.72302 ? 149 VAL A CA  1 
ATOM   1048 C C   . VAL A 1 140 ? -28.88500 13.24600  -1.92400  1.000 40.19313 ? 149 VAL A C   1 
ATOM   1049 O O   . VAL A 1 140 ? -29.91500 12.82600  -1.38300  1.000 38.38836 ? 149 VAL A O   1 
ATOM   1050 C CB  . VAL A 1 140 ? -28.32200 12.96600  -4.37600  1.000 39.63121 ? 149 VAL A CB  1 
ATOM   1051 C CG1 . VAL A 1 140 ? -28.94800 11.58000  -4.30000  1.000 38.82578 ? 149 VAL A CG1 1 
ATOM   1052 C CG2 . VAL A 1 140 ? -28.51400 13.56600  -5.76000  1.000 38.66811 ? 149 VAL A CG2 1 
ATOM   1053 N N   . LEU A 1 141 ? -27.69600 13.17100  -1.32900  1.000 36.65152 ? 150 LEU A N   1 
ATOM   1054 C CA  . LEU A 1 141 ? -27.53500 12.55400  -0.02000  1.000 41.26494 ? 150 LEU A CA  1 
ATOM   1055 C C   . LEU A 1 141 ? -28.03800 13.42900  1.12000   1.000 41.72083 ? 150 LEU A C   1 
ATOM   1056 O O   . LEU A 1 141 ? -28.15200 12.93600  2.24700   1.000 43.25212 ? 150 LEU A O   1 
ATOM   1057 C CB  . LEU A 1 141 ? -26.06200 12.20800  0.22000   1.000 36.01016 ? 150 LEU A CB  1 
ATOM   1058 C CG  . LEU A 1 141 ? -25.39900 11.25400  -0.77400  1.000 37.44364 ? 150 LEU A CG  1 
ATOM   1059 C CD1 . LEU A 1 141 ? -23.90400 11.12800  -0.48300  1.000 32.81380 ? 150 LEU A CD1 1 
ATOM   1060 C CD2 . LEU A 1 141 ? -26.07000 9.89300   -0.73900  1.000 34.69784 ? 150 LEU A CD2 1 
ATOM   1061 N N   . SER A 1 142 ? -28.34700 14.70200  0.85500   1.000 43.15870 ? 151 SER A N   1 
ATOM   1062 C CA  . SER A 1 142 ? -28.72300 15.62400  1.92200   1.000 42.97035 ? 151 SER A CA  1 
ATOM   1063 C C   . SER A 1 142 ? -30.02500 15.23400  2.61000   1.000 44.28447 ? 151 SER A C   1 
ATOM   1064 O O   . SER A 1 142 ? -30.24200 15.62600  3.76200   1.000 46.35055 ? 151 SER A O   1 
ATOM   1065 C CB  . SER A 1 142 ? -28.84500 17.04600  1.37200   1.000 46.87977 ? 151 SER A CB  1 
ATOM   1066 O OG  . SER A 1 142 ? -29.88200 17.13200  0.41100   1.000 45.91563 ? 151 SER A OG  1 
ATOM   1067 N N   . VAL A 1 143 ? -30.89400 14.47600  1.93700   1.000 46.51685 ? 152 VAL A N   1 
ATOM   1068 C CA  . VAL A 1 143 ? -32.18200 14.12500  2.52900   1.000 44.83407 ? 152 VAL A CA  1 
ATOM   1069 C C   . VAL A 1 143 ? -32.05900 13.03900  3.58900   1.000 47.57020 ? 152 VAL A C   1 
ATOM   1070 O O   . VAL A 1 143 ? -32.99200 12.85200  4.38100   1.000 51.42164 ? 152 VAL A O   1 
ATOM   1071 C CB  . VAL A 1 143 ? -33.18400 13.68300  1.44900   1.000 42.67276 ? 152 VAL A CB  1 
ATOM   1072 C CG1 . VAL A 1 143 ? -33.43200 14.81300  0.46000   1.000 45.44750 ? 152 VAL A CG1 1 
ATOM   1073 C CG2 . VAL A 1 143 ? -32.68700 12.43500  0.73300   1.000 42.42730 ? 152 VAL A CG2 1 
ATOM   1074 N N   . LEU A 1 144 ? -30.92800 12.31300  3.63400   1.000 46.31211 ? 153 LEU A N   1 
ATOM   1075 C CA  . LEU A 1 144 ? -30.77600 11.24300  4.60700   1.000 47.63407 ? 153 LEU A CA  1 
ATOM   1076 C C   . LEU A 1 144 ? -30.17800 11.76900  5.90700   1.000 47.39908 ? 153 LEU A C   1 
ATOM   1077 O O   . LEU A 1 144 ? -29.37900 12.71200  5.89500   1.000 48.29659 ? 153 LEU A O   1 
ATOM   1078 C CB  . LEU A 1 144 ? -29.88000 10.13900  4.05300   1.000 45.02946 ? 153 LEU A CB  1 
ATOM   1079 C CG  . LEU A 1 144 ? -30.42900 9.32200   2.88500   1.000 42.78609 ? 153 LEU A CG  1 
ATOM   1080 C CD1 . LEU A 1 144 ? -29.42100 8.26900   2.45800   1.000 42.95765 ? 153 LEU A CD1 1 
ATOM   1081 C CD2 . LEU A 1 144 ? -31.75600 8.68000   3.26200   1.000 41.91462 ? 153 LEU A CD2 1 
ATOM   1082 N N   . PRO A 1 145 ? -30.55400 11.17900  7.04200   1.000 46.47344 ? 154 PRO A N   1 
ATOM   1083 C CA  . PRO A 1 145 ? -29.89100 11.52800  8.30200   1.000 49.81213 ? 154 PRO A CA  1 
ATOM   1084 C C   . PRO A 1 145 ? -28.41900 11.15200  8.25400   1.000 51.20628 ? 154 PRO A C   1 
ATOM   1085 O O   . PRO A 1 145 ? -28.01800 10.21600  7.55800   1.000 48.15056 ? 154 PRO A O   1 
ATOM   1086 C CB  . PRO A 1 145 ? -30.64900 10.70100  9.34800   1.000 50.62581 ? 154 PRO A CB  1 
ATOM   1087 C CG  . PRO A 1 145 ? -31.95900 10.36600  8.70200   1.000 52.66889 ? 154 PRO A CG  1 
ATOM   1088 C CD  . PRO A 1 145 ? -31.65400 10.22100  7.24200   1.000 51.91143 ? 154 PRO A CD  1 
ATOM   1089 N N   . ALA A 1 146 ? -27.60900 11.90300  9.00400   1.000 51.46410 ? 155 ALA A N   1 
ATOM   1090 C CA  . ALA A 1 146 ? -26.16900 11.66200  9.00000   1.000 48.92822 ? 155 ALA A CA  1 
ATOM   1091 C C   . ALA A 1 146 ? -25.84100 10.25600  9.48600   1.000 48.33765 ? 155 ALA A C   1 
ATOM   1092 O O   . ALA A 1 146 ? -24.96000 9.58800   8.93000   1.000 45.35521 ? 155 ALA A O   1 
ATOM   1093 C CB  . ALA A 1 146 ? -25.46100 12.70900  9.86000   1.000 53.93467 ? 155 ALA A CB  1 
ATOM   1094 N N   . GLU A 1 147 ? -26.55200 9.78300   10.51300  1.000 50.13762 ? 156 GLU A N   1 
ATOM   1095 C CA  . GLU A 1 147 ? -26.28900 8.45200   11.04900  1.000 50.23332 ? 156 GLU A CA  1 
ATOM   1096 C C   . GLU A 1 147 ? -26.65600 7.35600   10.05600  1.000 44.88728 ? 156 GLU A C   1 
ATOM   1097 O O   . GLU A 1 147 ? -26.00800 6.30400   10.03100  1.000 44.93387 ? 156 GLU A O   1 
ATOM   1098 C CB  . GLU A 1 147 ? -27.04800 8.25500   12.36200  1.000 50.74252 ? 156 GLU A CB  1 
ATOM   1099 N N   . VAL A 1 148 ? -27.68300 7.57800   9.23300   1.000 46.80117 ? 157 VAL A N   1 
ATOM   1100 C CA  . VAL A 1 148 ? -28.07600 6.56700   8.25600   1.000 44.86297 ? 157 VAL A CA  1 
ATOM   1101 C C   . VAL A 1 148 ? -27.09400 6.53800   7.09100   1.000 41.01743 ? 157 VAL A C   1 
ATOM   1102 O O   . VAL A 1 148 ? -26.72300 5.46500   6.60100   1.000 40.67248 ? 157 VAL A O   1 
ATOM   1103 C CB  . VAL A 1 148 ? -29.51900 6.81500   7.77800   1.000 48.46457 ? 157 VAL A CB  1 
ATOM   1104 C CG1 . VAL A 1 148 ? -29.91900 5.78500   6.73200   1.000 41.10237 ? 157 VAL A CG1 1 
ATOM   1105 C CG2 . VAL A 1 148 ? -30.47800 6.78000   8.95500   1.000 50.04732 ? 157 VAL A CG2 1 
ATOM   1106 N N   . LEU A 1 149 ? -26.65700 7.71200   6.62800   1.000 39.36041 ? 158 LEU A N   1 
ATOM   1107 C CA  . LEU A 1 149 ? -25.71700 7.75400   5.51300   1.000 42.50739 ? 158 LEU A CA  1 
ATOM   1108 C C   . LEU A 1 149 ? -24.37700 7.13700   5.89500   1.000 40.84661 ? 158 LEU A C   1 
ATOM   1109 O O   . LEU A 1 149 ? -23.76500 6.42100   5.09300   1.000 37.39176 ? 158 LEU A O   1 
ATOM   1110 C CB  . LEU A 1 149 ? -25.53200 9.19400   5.03500   1.000 42.72648 ? 158 LEU A CB  1 
ATOM   1111 C CG  . LEU A 1 149 ? -24.58600 9.37800   3.84600   1.000 37.44349 ? 158 LEU A CG  1 
ATOM   1112 C CD1 . LEU A 1 149 ? -25.03500 8.52200   2.67100   1.000 40.44077 ? 158 LEU A CD1 1 
ATOM   1113 C CD2 . LEU A 1 149 ? -24.50900 10.84200  3.44500   1.000 43.06444 ? 158 LEU A CD2 1 
ATOM   1114 N N   . ALA A 1 150 ? -23.90800 7.39800   7.11600   1.000 41.88816 ? 159 ALA A N   1 
ATOM   1115 C CA  . ALA A 1 150 ? -22.64700 6.81500   7.56200   1.000 39.99251 ? 159 ALA A CA  1 
ATOM   1116 C C   . ALA A 1 150 ? -22.74800 5.29900   7.67500   1.000 36.99586 ? 159 ALA A C   1 
ATOM   1117 O O   . ALA A 1 150 ? -21.80500 4.57900   7.32600   1.000 35.52236 ? 159 ALA A O   1 
ATOM   1118 C CB  . ALA A 1 150 ? -22.22800 7.43100   8.89700   1.000 41.22264 ? 159 ALA A CB  1 
ATOM   1119 N N   . ALA A 1 151 ? -23.88900 4.79500   8.15300   1.000 39.96102 ? 160 ALA A N   1 
ATOM   1120 C CA  . ALA A 1 151 ? -24.06300 3.35100   8.26500   1.000 35.03388 ? 160 ALA A CA  1 
ATOM   1121 C C   . ALA A 1 151 ? -24.17600 2.70200   6.89100   1.000 36.73655 ? 160 ALA A C   1 
ATOM   1122 O O   . ALA A 1 151 ? -23.63200 1.61500   6.66600   1.000 35.32213 ? 160 ALA A O   1 
ATOM   1123 C CB  . ALA A 1 151 ? -25.29500 3.03300   9.11300   1.000 40.12284 ? 160 ALA A CB  1 
ATOM   1124 N N   . LEU A 1 152 ? -24.88000 3.35400   5.96200   1.000 37.42321 ? 161 LEU A N   1 
ATOM   1125 C CA  . LEU A 1 152 ? -24.98700 2.82500   4.60500   1.000 36.62865 ? 161 LEU A CA  1 
ATOM   1126 C C   . LEU A 1 152 ? -23.63000 2.80300   3.91500   1.000 30.29265 ? 161 LEU A C   1 
ATOM   1127 O O   . LEU A 1 152 ? -23.31800 1.86600   3.17100   1.000 27.89576 ? 161 LEU A O   1 
ATOM   1128 C CB  . LEU A 1 152 ? -25.98900 3.65400   3.80000   1.000 30.92471 ? 161 LEU A CB  1 
ATOM   1129 C CG  . LEU A 1 152 ? -26.23200 3.25900   2.34200   1.000 33.21780 ? 161 LEU A CG  1 
ATOM   1130 C CD1 . LEU A 1 152 ? -26.47900 1.77100   2.22900   1.000 31.82910 ? 161 LEU A CD1 1 
ATOM   1131 C CD2 . LEU A 1 152 ? -27.41400 4.03000   1.78200   1.000 32.87552 ? 161 LEU A CD2 1 
ATOM   1132 N N   . ASP A 1 153 ? -22.80900 3.82600   4.15300   1.000 33.26233 ? 162 ASP A N   1 
ATOM   1133 C CA  . ASP A 1 153 ? -21.47400 3.85900   3.56800   1.000 30.83234 ? 162 ASP A CA  1 
ATOM   1134 C C   . ASP A 1 153 ? -20.61500 2.71600   4.09300   1.000 32.36992 ? 162 ASP A C   1 
ATOM   1135 O O   . ASP A 1 153 ? -19.85100 2.10500   3.33600   1.000 34.77067 ? 162 ASP A O   1 
ATOM   1136 C CB  . ASP A 1 153 ? -20.81600 5.20800   3.86200   1.000 32.59643 ? 162 ASP A CB  1 
ATOM   1137 C CG  . ASP A 1 153 ? -19.61800 5.48100   2.97700   1.000 33.27027 ? 162 ASP A CG  1 
ATOM   1138 O OD1 . ASP A 1 153 ? -19.36500 4.68700   2.04900   1.000 33.46683 ? 162 ASP A OD1 1 
ATOM   1139 O OD2 . ASP A 1 153 ? -18.93100 6.49800   3.21100   1.000 41.09748 ? 162 ASP A OD2 1 
ATOM   1140 N N   . THR A 1 154 ? -20.73100 2.40800   5.38500   1.000 32.08224 ? 163 THR A N   1 
ATOM   1141 C CA  . THR A 1 154 ? -19.93600 1.33100   5.96500   1.000 33.31677 ? 163 THR A CA  1 
ATOM   1142 C C   . THR A 1 154 ? -20.43700 -0.03200  5.50800   1.000 31.31531 ? 163 THR A C   1 
ATOM   1143 O O   . THR A 1 154 ? -19.63700 -0.92700  5.21200   1.000 29.67105 ? 163 THR A O   1 
ATOM   1144 C CB  . THR A 1 154 ? -19.95900 1.42500   7.49000   1.000 36.71979 ? 163 THR A CB  1 
ATOM   1145 O OG1 . THR A 1 154 ? -19.72700 2.78200   7.88800   1.000 38.67033 ? 163 THR A OG1 1 
ATOM   1146 C CG2 . THR A 1 154 ? -18.88200 0.53600   8.09800   1.000 40.12235 ? 163 THR A CG2 1 
ATOM   1147 N N   . ASN A 1 155 ? -21.76000 -0.20800  5.44000   1.000 29.39326 ? 164 ASN A N   1 
ATOM   1148 C CA  . ASN A 1 155 ? -22.31300 -1.48800  5.01200   1.000 31.13219 ? 164 ASN A CA  1 
ATOM   1149 C C   . ASN A 1 155 ? -22.06600 -1.74100  3.53200   1.000 28.30517 ? 164 ASN A C   1 
ATOM   1150 O O   . ASN A 1 155 ? -21.92300 -2.89700  3.12100   1.000 26.10292 ? 164 ASN A O   1 
ATOM   1151 C CB  . ASN A 1 155 ? -23.81000 -1.54700  5.32200   1.000 29.77029 ? 164 ASN A CB  1 
ATOM   1152 C CG  . ASN A 1 155 ? -24.09100 -1.57500  6.81000   1.000 37.61326 ? 164 ASN A CG  1 
ATOM   1153 O OD1 . ASN A 1 155 ? -23.25800 -2.01400  7.60000   1.000 38.88582 ? 164 ASN A OD1 1 
ATOM   1154 N ND2 . ASN A 1 155 ? -25.26800 -1.10500  7.20000   1.000 37.43454 ? 164 ASN A ND2 1 
ATOM   1155 N N   . LEU A 1 156 ? -22.01300 -0.68200  2.72000   1.000 27.33604 ? 165 LEU A N   1 
ATOM   1156 C CA  . LEU A 1 156 ? -21.67400 -0.85500  1.31200   1.000 29.67177 ? 165 LEU A CA  1 
ATOM   1157 C C   . LEU A 1 156 ? -20.20900 -1.22700  1.13100   1.000 29.62577 ? 165 LEU A C   1 
ATOM   1158 O O   . LEU A 1 156 ? -19.87000 -1.96400  0.19800   1.000 26.17467 ? 165 LEU A O   1 
ATOM   1159 C CB  . LEU A 1 156 ? -21.99700 0.41300   0.52300   1.000 25.04901 ? 165 LEU A CB  1 
ATOM   1160 C CG  . LEU A 1 156 ? -23.46500 0.63600   0.16000   1.000 28.32626 ? 165 LEU A CG  1 
ATOM   1161 C CD1 . LEU A 1 156 ? -23.65000 1.98200   -0.51900  1.000 24.78857 ? 165 LEU A CD1 1 
ATOM   1162 C CD2 . LEU A 1 156 ? -23.96900 -0.49400  -0.73100  1.000 23.55349 ? 165 LEU A CD2 1 
ATOM   1163 N N   . ALA A 1 157 ? -19.32900 -0.72300  2.00200   1.000 27.39921 ? 166 ALA A N   1 
ATOM   1164 C CA  . ALA A 1 157 ? -17.92800 -1.12700  1.94700   1.000 31.97413 ? 166 ALA A CA  1 
ATOM   1165 C C   . ALA A 1 157 ? -17.77100 -2.60200  2.28800   1.000 31.20872 ? 166 ALA A C   1 
ATOM   1166 O O   . ALA A 1 157 ? -16.91800 -3.29000  1.71500   1.000 30.57985 ? 166 ALA A O   1 
ATOM   1167 C CB  . ALA A 1 157 ? -17.09200 -0.26400  2.89100   1.000 33.37857 ? 166 ALA A CB  1 
ATOM   1168 N N   . ALA A 1 158 ? -18.58800 -3.10400  3.21900   1.000 34.22947 ? 167 ALA A N   1 
ATOM   1169 C CA  . ALA A 1 158 ? -18.56600 -4.52800  3.53100   1.000 30.44099 ? 167 ALA A CA  1 
ATOM   1170 C C   . ALA A 1 158 ? -19.04900 -5.35800  2.34900   1.000 29.31724 ? 167 ALA A C   1 
ATOM   1171 O O   . ALA A 1 158 ? -18.45600 -6.39500  2.02800   1.000 30.09850 ? 167 ALA A O   1 
ATOM   1172 C CB  . ALA A 1 158 ? -19.41700 -4.80800  4.76900   1.000 34.53207 ? 167 ALA A CB  1 
ATOM   1173 N N   . LEU A 1 159 ? -20.12200 -4.91900  1.68600   1.000 31.22423 ? 168 LEU A N   1 
ATOM   1174 C CA  . LEU A 1 159 ? -20.58900 -5.62600  0.49700   1.000 29.96189 ? 168 LEU A CA  1 
ATOM   1175 C C   . LEU A 1 159 ? -19.54300 -5.58900  -0.60800  1.000 29.75664 ? 168 LEU A C   1 
ATOM   1176 O O   . LEU A 1 159 ? -19.27500 -6.60800  -1.25400  1.000 27.82762 ? 168 LEU A O   1 
ATOM   1177 C CB  . LEU A 1 159 ? -21.90600 -5.02500  0.00300   1.000 29.21751 ? 168 LEU A CB  1 
ATOM   1178 C CG  . LEU A 1 159 ? -22.43100 -5.61300  -1.31000  1.000 31.99449 ? 168 LEU A CG  1 
ATOM   1179 C CD1 . LEU A 1 159 ? -22.75600 -7.09100  -1.14100  1.000 23.26175 ? 168 LEU A CD1 1 
ATOM   1180 C CD2 . LEU A 1 159 ? -23.64200 -4.84700  -1.81800  1.000 28.03578 ? 168 LEU A CD2 1 
ATOM   1181 N N   . LEU A 1 160 ? -18.93900 -4.42200  -0.83600  1.000 30.35483 ? 169 LEU A N   1 
ATOM   1182 C CA  . LEU A 1 160 ? -17.90600 -4.30700  -1.86000  1.000 32.28623 ? 169 LEU A CA  1 
ATOM   1183 C C   . LEU A 1 160 ? -16.73100 -5.23000  -1.56300  1.000 31.44998 ? 169 LEU A C   1 
ATOM   1184 O O   . LEU A 1 160 ? -16.13400 -5.80300  -2.48300  1.000 25.31294 ? 169 LEU A O   1 
ATOM   1185 C CB  . LEU A 1 160 ? -17.44000 -2.85700  -1.96500  1.000 30.12045 ? 169 LEU A CB  1 
ATOM   1186 C CG  . LEU A 1 160 ? -16.45100 -2.50900  -3.07900  1.000 31.36327 ? 169 LEU A CG  1 
ATOM   1187 C CD1 . LEU A 1 160 ? -17.02400 -2.85700  -4.44400  1.000 30.18264 ? 169 LEU A CD1 1 
ATOM   1188 C CD2 . LEU A 1 160 ? -16.09000 -1.03500  -3.01000  1.000 31.34570 ? 169 LEU A CD2 1 
ATOM   1189 N N   . ARG A 1 161 ? -16.39200 -5.39200  -0.28100  1.000 36.58124 ? 170 ARG A N   1 
ATOM   1190 C CA  . ARG A 1 161 ? -15.27900 -6.25900  0.09600   1.000 36.04837 ? 170 ARG A CA  1 
ATOM   1191 C C   . ARG A 1 161 ? -15.52100 -7.69700  -0.34500  1.000 38.05832 ? 170 ARG A C   1 
ATOM   1192 O O   . ARG A 1 161 ? -14.60700 -8.36500  -0.84100  1.000 41.99079 ? 170 ARG A O   1 
ATOM   1193 C CB  . ARG A 1 161 ? -15.05600 -6.19800  1.60700   1.000 38.34790 ? 170 ARG A CB  1 
ATOM   1194 C CG  . ARG A 1 161 ? -13.69800 -5.65300  2.02100   1.000 47.10740 ? 170 ARG A CG  1 
ATOM   1195 C CD  . ARG A 1 161 ? -13.83200 -4.36000  2.81600   1.000 48.88453 ? 170 ARG A CD  1 
ATOM   1196 N NE  . ARG A 1 161 ? -14.64500 -4.53000  4.01500   1.000 50.12047 ? 170 ARG A NE  1 
ATOM   1197 C CZ  . ARG A 1 161 ? -14.88600 -3.57000  4.89900   1.000 47.69489 ? 170 ARG A CZ  1 
ATOM   1198 N NH1 . ARG A 1 161 ? -14.37600 -2.35700  4.75700   1.000 49.34259 ? 170 ARG A NH1 1 
ATOM   1199 N NH2 . ARG A 1 161 ? -15.65600 -3.83500  5.95000   1.000 44.98203 ? 170 ARG A NH2 1 
ATOM   1200 N N   . GLY A 1 162 ? -16.74700 -8.19300  -0.17300  1.000 35.40113 ? 171 GLY A N   1 
ATOM   1201 C CA  . GLY A 1 162 ? -17.03400 -9.56600  -0.55400  1.000 33.40593 ? 171 GLY A CA  1 
ATOM   1202 C C   . GLY A 1 162 ? -17.12400 -9.75100  -2.05600  1.000 38.35371 ? 171 GLY A C   1 
ATOM   1203 O O   . GLY A 1 162 ? -16.69300 -10.77800 -2.59000  1.000 39.71220 ? 171 GLY A O   1 
ATOM   1204 N N   . LEU A 1 163 ? -17.68200 -8.76200  -2.75900  1.000 29.32065 ? 172 LEU A N   1 
ATOM   1205 C CA  . LEU A 1 163 ? -17.81700 -8.86900  -4.20800  1.000 33.32069 ? 172 LEU A CA  1 
ATOM   1206 C C   . LEU A 1 163 ? -16.45600 -8.90300  -4.89200  1.000 35.41557 ? 172 LEU A C   1 
ATOM   1207 O O   . LEU A 1 163 ? -16.23100 -9.71300  -5.79900  1.000 38.78964 ? 172 LEU A O   1 
ATOM   1208 C CB  . LEU A 1 163 ? -18.66300 -7.71100  -4.74300  1.000 33.86764 ? 172 LEU A CB  1 
ATOM   1209 C CG  . LEU A 1 163 ? -20.16500 -7.80400  -4.45400  1.000 32.35074 ? 172 LEU A CG  1 
ATOM   1210 C CD1 . LEU A 1 163 ? -20.87900 -6.52500  -4.84900  1.000 28.91610 ? 172 LEU A CD1 1 
ATOM   1211 C CD2 . LEU A 1 163 ? -20.76900 -8.99600  -5.18100  1.000 32.20093 ? 172 LEU A CD2 1 
ATOM   1212 N N   . GLU A 1 164 ? -15.53100 -8.04400  -4.46400  1.000 32.66922 ? 173 GLU A N   1 
ATOM   1213 C CA  . GLU A 1 164 ? -14.20800 -8.00600  -5.07500  1.000 36.12316 ? 173 GLU A CA  1 
ATOM   1214 C C   . GLU A 1 164 ? -13.29700 -9.12200  -4.58100  1.000 39.34803 ? 173 GLU A C   1 
ATOM   1215 O O   . GLU A 1 164 ? -12.34800 -9.48300  -5.28500  1.000 46.47832 ? 173 GLU A O   1 
ATOM   1216 C CB  . GLU A 1 164 ? -13.55900 -6.64200  -4.82900  1.000 35.47272 ? 173 GLU A CB  1 
ATOM   1217 C CG  . GLU A 1 164 ? -14.13300 -5.54200  -5.70300  1.000 36.39229 ? 173 GLU A CG  1 
ATOM   1218 C CD  . GLU A 1 164 ? -13.63300 -4.15900  -5.33000  1.000 38.37456 ? 173 GLU A CD  1 
ATOM   1219 O OE1 . GLU A 1 164 ? -13.31400 -3.94000  -4.14200  1.000 45.26123 ? 173 GLU A OE1 1 
ATOM   1220 O OE2 . GLU A 1 164 ? -13.56100 -3.29200  -6.22700  1.000 35.66809 ? 173 GLU A OE2 1 
ATOM   1221 N N   . SER A 1 165 ? -13.56100 -9.68100  -3.39800  1.000 39.58592 ? 174 SER A N   1 
ATOM   1222 C CA  . SER A 1 165 ? -12.80400 -10.84200 -2.94600  1.000 41.59747 ? 174 SER A CA  1 
ATOM   1223 C C   . SER A 1 165 ? -13.18100 -12.11100 -3.69700  1.000 44.46611 ? 174 SER A C   1 
ATOM   1224 O O   . SER A 1 165 ? -12.52100 -13.13800 -3.51100  1.000 46.61550 ? 174 SER A O   1 
ATOM   1225 C CB  . SER A 1 165 ? -13.00400 -11.05700 -1.44500  1.000 40.82899 ? 174 SER A CB  1 
ATOM   1226 N N   . HIS A 1 166 ? -14.21300 -12.06500 -4.53400  1.000 44.58460 ? 175 HIS A N   1 
ATOM   1227 C CA  . HIS A 1 166 ? -14.64500 -13.22700 -5.30100  1.000 44.39898 ? 175 HIS A CA  1 
ATOM   1228 C C   . HIS A 1 166 ? -13.81400 -13.38600 -6.57100  1.000 44.66024 ? 175 HIS A C   1 
ATOM   1229 O O   . HIS A 1 166 ? -13.61600 -12.42600 -7.31800  1.000 48.01578 ? 175 HIS A O   1 
ATOM   1230 C CB  . HIS A 1 166 ? -16.12900 -13.10700 -5.65300  1.000 43.63982 ? 175 HIS A CB  1 
ATOM   1231 C CG  . HIS A 1 166 ? -16.67300 -14.28700 -6.39500  1.000 43.23552 ? 175 HIS A CG  1 
ATOM   1232 N ND1 . HIS A 1 166 ? -16.83700 -15.52400 -5.80900  1.000 45.67369 ? 175 HIS A ND1 1 
ATOM   1233 C CD2 . HIS A 1 166 ? -17.08900 -14.41900 -7.67700  1.000 40.79912 ? 175 HIS A CD2 1 
ATOM   1234 C CE1 . HIS A 1 166 ? -17.33300 -16.36600 -6.69800  1.000 46.21526 ? 175 HIS A CE1 1 
ATOM   1235 N NE2 . HIS A 1 166 ? -17.49400 -15.72100 -7.83900  1.000 47.59067 ? 175 HIS A NE2 1 
HETATM 1236 N N1  . URC B 2 .   ? -15.65400 10.55300  -8.82300  1.000 34.81522 ? 201 URC A N1  1 
HETATM 1237 C C2  . URC B 2 .   ? -14.60900 10.23700  -9.62200  1.000 27.78591 ? 201 URC A C2  1 
HETATM 1238 C C6  . URC B 2 .   ? -16.86000 10.07600  -9.08700  1.000 35.34276 ? 201 URC A C6  1 
HETATM 1239 N N3  . URC B 2 .   ? -14.78900 9.43200   -10.69100 1.000 33.93185 ? 201 URC A N3  1 
HETATM 1240 O O11 . URC B 2 .   ? -13.53400 10.66300  -9.38200  1.000 29.96629 ? 201 URC A O11 1 
HETATM 1241 C C4  . URC B 2 .   ? -16.01200 8.94600   -10.96300 1.000 33.52410 ? 201 URC A C4  1 
HETATM 1242 C C5  . URC B 2 .   ? -17.04800 9.25500   -10.17800 1.000 36.18679 ? 201 URC A C5  1 
HETATM 1243 N N9  . URC B 2 .   ? -16.45900 8.14900   -11.94000 1.000 35.72677 ? 201 URC A N9  1 
HETATM 1244 O O13 . URC B 2 .   ? -17.77500 10.35300  -8.38500  1.000 32.34482 ? 201 URC A O13 1 
HETATM 1245 N N7  . URC B 2 .   ? -18.13600 8.64400   -10.67100 1.000 37.34155 ? 201 URC A N7  1 
HETATM 1246 C C8  . URC B 2 .   ? -17.76800 7.96000   -11.75700 1.000 37.47463 ? 201 URC A C8  1 
HETATM 1247 O O24 . URC B 2 .   ? -18.47600 7.30100   -12.44200 1.000 43.41559 ? 201 URC A O24 1 
HETATM 1248 O O   . HOH C 3 .   ? -19.91200 8.46300   -13.82900 1.000 38.55085 ? 301 HOH A O   1 
HETATM 1249 O O   . HOH C 3 .   ? -23.95000 7.89200   -13.28700 1.000 37.65496 ? 302 HOH A O   1 
HETATM 1250 O O   . HOH C 3 .   ? -41.15700 -17.19300 -2.68600  1.000 40.57662 ? 303 HOH A O   1 
HETATM 1251 O O   . HOH C 3 .   ? -23.98100 3.20300   -13.54900 1.000 37.57306 ? 304 HOH A O   1 
HETATM 1252 O O   . HOH C 3 .   ? -45.21600 -1.88800  -1.13800  1.000 43.50197 ? 305 HOH A O   1 
HETATM 1253 O O   . HOH C 3 .   ? -16.67200 3.68500   -16.12700 1.000 35.07161 ? 306 HOH A O   1 
HETATM 1254 O O   . HOH C 3 .   ? -25.33900 15.29000  1.51600   1.000 36.87701 ? 307 HOH A O   1 
HETATM 1255 O O   . HOH C 3 .   ? -23.50000 14.51600  -10.91500 1.000 37.96518 ? 308 HOH A O   1 
HETATM 1256 O O   . HOH C 3 .   ? -39.52400 -0.76400  2.72300   1.000 36.88281 ? 309 HOH A O   1 
HETATM 1257 O O   . HOH C 3 .   ? -15.003   -2.387    -10.352   1.000 42.46318 ? 310 HOH A O   1 
HETATM 1258 O O   . HOH C 3 .   ? -17.15800 -1.68000  6.36400   1.000 40.19221 ? 311 HOH A O   1 
HETATM 1259 O O   . HOH C 3 .   ? -19.46300 8.93600   -6.88100  1.000 29.21895 ? 312 HOH A O   1 
HETATM 1260 O O   . HOH C 3 .   ? -18.31800 -10.28600 -7.38900  1.000 30.66984 ? 313 HOH A O   1 
HETATM 1261 O O   . HOH C 3 .   ? -41.835   0.936     -9.957    1.000 40.45213 ? 314 HOH A O   1 
HETATM 1262 O O   . HOH C 3 .   ? -36.027   -7.234    1.900     1.000 33.96455 ? 315 HOH A O   1 
HETATM 1263 O O   . HOH C 3 .   ? -45.09200 -5.42300  -7.69100  1.000 26.91199 ? 316 HOH A O   1 
HETATM 1264 O O   . HOH C 3 .   ? -43.18700 -3.25900  -7.17800  1.000 25.20476 ? 317 HOH A O   1 
HETATM 1265 O O   . HOH C 3 .   ? -31.31300 11.98400  -16.00200 1.000 43.11181 ? 318 HOH A O   1 
HETATM 1266 O O   . HOH C 3 .   ? -40.27000 -15.98700 -0.75000  1.000 38.06730 ? 319 HOH A O   1 
HETATM 1267 O O   . HOH C 3 .   ? -10.731   1.810     -9.041    1.000 31.04304 ? 320 HOH A O   1 
HETATM 1268 O O   . HOH C 3 .   ? -14.64200 -2.32100  0.35100   1.000 32.13861 ? 321 HOH A O   1 
HETATM 1269 O O   . HOH C 3 .   ? -13.45600 -3.46800  -1.34300  1.000 35.44024 ? 322 HOH A O   1 
HETATM 1270 O O   . HOH C 3 .   ? 0.00000   -0.00000  -16.56900 0.500 35.50411 ? 323 HOH A O   1 
HETATM 1271 O O   . HOH C 3 .   ? -46.270   -7.715    -11.683   1.000 28.24918 ? 324 HOH A O   1 
HETATM 1272 O O   . HOH C 3 .   ? -34.03000 9.50500   -10.14200 1.000 33.88606 ? 325 HOH A O   1 
HETATM 1273 O O   . HOH C 3 .   ? 0.17400   11.58700  -14.98900 1.000 38.36480 ? 326 HOH A O   1 
HETATM 1274 O O   . HOH C 3 .   ? -31.92200 -4.77600  -15.87400 1.000 42.89556 ? 327 HOH A O   1 
HETATM 1275 O O   . HOH C 3 .   ? -1.53100  -0.31400  -20.72200 1.000 32.00176 ? 328 HOH A O   1 
HETATM 1276 O O   . HOH C 3 .   ? -3.57100  0.70000   -9.71300  1.000 38.32996 ? 329 HOH A O   1 
HETATM 1277 O O   . HOH C 3 .   ? -13.561   -4.321    -9.221    1.000 37.65813 ? 330 HOH A O   1 
HETATM 1278 O O   . HOH C 3 .   ? -17.515   -2.029    -10.560   1.000 30.90694 ? 331 HOH A O   1 
HETATM 1279 O O   . HOH C 3 .   ? -24.54400 1.61800   -11.25800 1.000 33.21966 ? 332 HOH A O   1 
HETATM 1280 O O   . HOH C 3 .   ? -46.08700 -4.95700  -0.12800  1.000 38.82250 ? 333 HOH A O   1 
HETATM 1281 O O   . HOH C 3 .   ? -48.930   -7.065    -11.488   1.000 39.79469 ? 334 HOH A O   1 
HETATM 1282 O O   . HOH C 3 .   ? -47.42600 -4.93700  -6.89100  1.000 30.78154 ? 335 HOH A O   1 
HETATM 1283 O O   . HOH C 3 .   ? -7.054    1.580     -6.515    1.000 32.54407 ? 336 HOH A O   1 
HETATM 1284 O O   . HOH C 3 .   ? -47.97000 -5.48900  -1.83800  1.000 38.54651 ? 337 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   . LEU A 5   ? 0.56988 0.71108 0.48257 0.11387  0.13499  -0.03085 14  LEU A N   
2    C CA  . LEU A 5   ? 0.51829 0.65366 0.44305 0.10341  0.12652  -0.01548 14  LEU A CA  
3    C C   . LEU A 5   ? 0.53062 0.64886 0.47594 0.10871  0.11569  -0.02202 14  LEU A C   
4    O O   . LEU A 5   ? 0.54078 0.65583 0.50029 0.11925  0.11583  -0.03343 14  LEU A O   
5    C CB  . LEU A 5   ? 0.48042 0.64131 0.42996 0.09217  0.13436  0.00359  14  LEU A CB  
6    N N   . ASP A 6   ? 0.44912 0.55723 0.39775 0.10186  0.10691  -0.01346 15  ASP A N   
7    C CA  . ASP A 6   ? 0.44584 0.53988 0.41432 0.10323  0.09512  -0.01524 15  ASP A CA  
8    C C   . ASP A 6   ? 0.38759 0.49521 0.37941 0.09157  0.09204  -0.00190 15  ASP A C   
9    O O   . ASP A 6   ? 0.40213 0.52907 0.40097 0.08369  0.09950  0.00701  15  ASP A O   
10   C CB  . ASP A 6   ? 0.40549 0.46873 0.35825 0.10083  0.08056  -0.02114 15  ASP A CB  
11   C CG  . ASP A 6   ? 0.43710 0.49401 0.37520 0.08788  0.07490  -0.01187 15  ASP A CG  
12   O OD1 . ASP A 6   ? 0.43191 0.50316 0.37692 0.07919  0.08012  0.00008  15  ASP A OD1 
13   O OD2 . ASP A 6   ? 0.42628 0.46318 0.34980 0.08634  0.06404  -0.01627 15  ASP A OD2 
14   N N   . ALA A 7   ? 0.34222 0.44070 0.34665 0.08998  0.08057  -0.00077 16  ALA A N   
15   C CA  . ALA A 7   ? 0.35237 0.46574 0.37549 0.08057  0.07630  0.00702  16  ALA A CA  
16   C C   . ALA A 7   ? 0.31031 0.41595 0.32614 0.06726  0.07298  0.01067  16  ALA A C   
17   O O   . ALA A 7   ? 0.30553 0.42473 0.33665 0.05816  0.07227  0.01402  16  ALA A O   
18   C CB  . ALA A 7   ? 0.35039 0.46090 0.38445 0.08373  0.06614  0.00852  16  ALA A CB  
19   N N   . VAL A 8   ? 0.29584 0.37961 0.29170 0.06613  0.06949  0.00945  17  VAL A N   
20   C CA  . VAL A 8   ? 0.31370 0.38876 0.30680 0.05560  0.06611  0.01470  17  VAL A CA  
21   C C   . VAL A 8   ? 0.34840 0.43317 0.33985 0.05006  0.07551  0.02338  17  VAL A C   
22   O O   . VAL A 8   ? 0.33064 0.41536 0.33513 0.03962  0.07451  0.03031  17  VAL A O   
23   C CB  . VAL A 8   ? 0.33224 0.38459 0.30906 0.05673  0.05753  0.01320  17  VAL A CB  
24   C CG1 . VAL A 8   ? 0.36141 0.40472 0.34034 0.04816  0.05359  0.01996  17  VAL A CG1 
25   C CG2 . VAL A 8   ? 0.34447 0.39130 0.32842 0.06062  0.04974  0.00869  17  VAL A CG2 
26   N N   . ASP A 9   ? 0.34308 0.43712 0.32050 0.05706  0.08526  0.02337  18  ASP A N   
27   C CA  . ASP A 9   ? 0.37078 0.48292 0.34895 0.05201  0.09732  0.03526  18  ASP A CA  
28   C C   . ASP A 9   ? 0.35732 0.49204 0.36872 0.04496  0.10207  0.04022  18  ASP A C   
29   O O   . ASP A 9   ? 0.35424 0.49749 0.38028 0.03326  0.10612  0.05337  18  ASP A O   
30   C CB  . ASP A 9   ? 0.41018 0.53418 0.36516 0.06363  0.10901  0.03095  18  ASP A CB  
31   C CG  . ASP A 9   ? 0.44872 0.55436 0.36834 0.06764  0.10305  0.02657  18  ASP A CG  
32   O OD1 . ASP A 9   ? 0.46348 0.56010 0.37491 0.05886  0.09738  0.03891  18  ASP A OD1 
33   O OD2 . ASP A 9   ? 0.50454 0.60450 0.40711 0.07965  0.10261  0.01040  18  ASP A OD2 
34   N N   . ALA A 10  ? 0.32442 0.46986 0.35106 0.05122  0.10021  0.03141  19  ALA A N   
35   C CA  . ALA A 10  ? 0.36422 0.53445 0.42357 0.04412  0.10125  0.03495  19  ALA A CA  
36   C C   . ALA A 10  ? 0.29142 0.45164 0.36576 0.02984  0.08962  0.03479  19  ALA A C   
37   O O   . ALA A 10  ? 0.27299 0.44735 0.37322 0.01763  0.09030  0.04047  19  ALA A O   
38   C CB  . ALA A 10  ? 0.31431 0.49910 0.38573 0.05530  0.09912  0.02751  19  ALA A CB  
39   N N   . ILE A 11  ? 0.28236 0.41892 0.34341 0.03124  0.07903  0.02719  20  ILE A N   
40   C CA  . ILE A 11  ? 0.30954 0.43556 0.38301 0.02067  0.06917  0.02273  20  ILE A CA  
41   C C   . ILE A 11  ? 0.34826 0.46049 0.42776 0.01022  0.07143  0.03311  20  ILE A C   
42   O O   . ILE A 11  ? 0.32745 0.43979 0.43248 -0.00189 0.06751  0.03290  20  ILE A O   
43   C CB  . ILE A 11  ? 0.28894 0.39792 0.34729 0.02691  0.06030  0.01347  20  ILE A CB  
44   C CG1 . ILE A 11  ? 0.27159 0.39818 0.33227 0.03374  0.05620  0.00726  20  ILE A CG1 
45   C CG2 . ILE A 11  ? 0.31075 0.40438 0.37774 0.01904  0.05303  0.00760  20  ILE A CG2 
46   C CD1 . ILE A 11  ? 0.26338 0.37904 0.31096 0.03973  0.04976  0.00281  20  ILE A CD1 
47   N N   . LEU A 12  ? 0.35559 0.45587 0.41324 0.01441  0.07644  0.04283  21  LEU A N   
48   C CA  . LEU A 12  ? 0.36880 0.45929 0.43191 0.00522  0.07880  0.05896  21  LEU A CA  
49   C C   . LEU A 12  ? 0.33228 0.44553 0.41911 -0.00487 0.08856  0.07265  21  LEU A C   
50   O O   . LEU A 12  ? 0.30937 0.41549 0.42016 -0.01780 0.08712  0.08482  21  LEU A O   
51   C CB  . LEU A 12  ? 0.33380 0.41499 0.36413 0.01263  0.08150  0.06781  21  LEU A CB  
52   C CG  . LEU A 12  ? 0.39492 0.45332 0.40825 0.01963  0.07035  0.05860  21  LEU A CG  
53   C CD1 . LEU A 12  ? 0.40570 0.46137 0.38508 0.02732  0.07137  0.06322  21  LEU A CD1 
54   C CD2 . LEU A 12  ? 0.41446 0.45245 0.44673 0.01279  0.06152  0.06219  21  LEU A CD2 
55   N N   . GLU A 13  ? 0.32169 0.46281 0.40731 0.00085  0.09854  0.07186  22  GLU A N   
56   C CA  . GLU A 13  ? 0.33963 0.50926 0.45351 -0.00875 0.10883  0.08554  22  GLU A CA  
57   C C   . GLU A 13  ? 0.29710 0.47209 0.45122 -0.02182 0.09884  0.07830  22  GLU A C   
58   O O   . GLU A 13  ? 0.30619 0.49223 0.49359 -0.03693 0.10149  0.09169  22  GLU A O   
59   C CB  . GLU A 13  ? 0.35147 0.55213 0.45640 0.00375  0.12275  0.08440  22  GLU A CB  
60   C CG  . GLU A 13  ? 0.41675 0.65092 0.53980 -0.00266 0.13983  0.10478  22  GLU A CG  
61   C CD  . GLU A 13  ? 0.49506 0.72380 0.58995 -0.00290 0.14865  0.12209  22  GLU A CD  
62   O OE1 . GLU A 13  ? 0.51886 0.72473 0.57849 0.00515  0.14416  0.11758  22  GLU A OE1 
63   O OE2 . GLU A 13  ? 0.55787 0.80295 0.66411 -0.01136 0.15647  0.13850  22  GLU A OE2 
64   N N   . GLN A 14  ? 0.27836 0.44775 0.43056 -0.01700 0.08677  0.05774  23  GLN A N   
65   C CA  . GLN A 14  ? 0.25970 0.43413 0.44384 -0.02904 0.07448  0.04634  23  GLN A CA  
66   C C   . GLN A 14  ? 0.32304 0.46858 0.52417 -0.04225 0.06643  0.04640  23  GLN A C   
67   O O   . GLN A 14  ? 0.32395 0.47379 0.56238 -0.05792 0.06033  0.04514  23  GLN A O   
68   C CB  . GLN A 14  ? 0.29852 0.47535 0.46935 -0.01955 0.06374  0.02606  23  GLN A CB  
69   C CG  . GLN A 14  ? 0.32955 0.53816 0.50033 -0.00930 0.06749  0.02619  23  GLN A CG  
70   C CD  . GLN A 14  ? 0.27887 0.49113 0.43778 -0.00106 0.05594  0.01173  23  GLN A CD  
71   O OE1 . GLN A 14  ? 0.26907 0.45960 0.40249 0.00670  0.05317  0.00616  23  GLN A OE1 
72   N NE2 . GLN A 14  ? 0.25818 0.50160 0.43712 -0.00322 0.04879  0.00790  23  GLN A NE2 
73   N N   . TRP A 15  ? 0.28509 0.40058 0.46350 -0.03612 0.06518  0.04752  24  TRP A N   
74   C CA  . TRP A 15  ? 0.34853 0.43417 0.54665 -0.04578 0.05770  0.04855  24  TRP A CA  
75   C C   . TRP A 15  ? 0.35951 0.44350 0.57945 -0.05793 0.06535  0.07688  24  TRP A C   
76   O O   . TRP A 15  ? 0.40236 0.46619 0.65627 -0.07070 0.05849  0.08036  24  TRP A O   
77   C CB  . TRP A 15  ? 0.33965 0.39774 0.51129 -0.03418 0.05356  0.04282  24  TRP A CB  
78   C CG  . TRP A 15  ? 0.34064 0.39649 0.50252 -0.02636 0.04465  0.01623  24  TRP A CG  
79   C CD1 . TRP A 15  ? 0.36809 0.42598 0.49878 -0.01243 0.04503  0.00957  24  TRP A CD1 
80   C CD2 . TRP A 15  ? 0.33589 0.38992 0.51930 -0.03241 0.03421  -0.00680 24  TRP A CD2 
81   N NE1 . TRP A 15  ? 0.31770 0.37827 0.44841 -0.00924 0.03730  -0.01237 24  TRP A NE1 
82   C CE2 . TRP A 15  ? 0.30158 0.36071 0.46126 -0.02051 0.03053  -0.02478 24  TRP A CE2 
83   C CE3 . TRP A 15  ? 0.36147 0.41068 0.58279 -0.04730 0.02701  -0.01473 24  TRP A CE3 
84   C CZ2 . TRP A 15  ? 0.31713 0.38067 0.48374 -0.02145 0.02130  -0.05085 24  TRP A CZ2 
85   C CZ3 . TRP A 15  ? 0.38514 0.43470 0.61484 -0.04860 0.01571  -0.04461 24  TRP A CZ3 
86   C CH2 . TRP A 15  ? 0.37644 0.43502 0.57596 -0.03498 0.01361  -0.06268 24  TRP A CH2 
87   N N   . ARG A 16  ? 0.36578 0.47096 0.56778 -0.05379 0.07976  0.09756  25  ARG A N   
88   C CA  . ARG A 16  ? 0.33438 0.44810 0.55739 -0.06612 0.08945  0.12844  25  ARG A CA  
89   C C   . ARG A 16  ? 0.36045 0.49364 0.63360 -0.08385 0.08871  0.13142  25  ARG A C   
90   O O   . ARG A 16  ? 0.39704 0.52681 0.70537 -0.09994 0.09064  0.15470  25  ARG A O   
91   C CB  . ARG A 16  ? 0.34869 0.48855 0.53721 -0.05599 0.10683  0.14614  25  ARG A CB  
92   C CG  . ARG A 16  ? 0.44206 0.56317 0.58654 -0.04356 0.10640  0.15089  25  ARG A CG  
93   C CD  . ARG A 16  ? 0.45640 0.60601 0.56685 -0.03500 0.12335  0.16646  25  ARG A CD  
94   N N   . ARG A 17  ? 0.33338 0.48820 0.61356 -0.08198 0.08464  0.11016  26  ARG A N   
95   C CA  . ARG A 17  ? 0.34767 0.52582 0.67685 -0.09898 0.08097  0.11019  26  ARG A CA  
96   C C   . ARG A 17  ? 0.33017 0.48299 0.69016 -0.11129 0.06032  0.08675  26  ARG A C   
97   O O   . ARG A 17  ? 0.32166 0.47390 0.73121 -0.13152 0.05462  0.09353  26  ARG A O   
98   C CB  . ARG A 17  ? 0.32408 0.54323 0.64810 -0.09008 0.08536  0.10043  26  ARG A CB  
99   C CG  . ARG A 17  ? 0.36457 0.61461 0.74129 -0.10732 0.07957  0.10015  26  ARG A CG  
100  C CD  . ARG A 17  ? 0.34169 0.63094 0.71533 -0.09638 0.07952  0.08833  26  ARG A CD  
101  N NE  . ARG A 17  ? 0.35318 0.62926 0.70189 -0.08620 0.06343  0.05958  26  ARG A NE  
102  C CZ  . ARG A 17  ? 0.39006 0.66823 0.69928 -0.06524 0.06707  0.05222  26  ARG A CZ  
103  N NH1 . ARG A 17  ? 0.40580 0.69653 0.69533 -0.05094 0.08494  0.06607  26  ARG A NH1 
104  N NH2 . ARG A 17  ? 0.32280 0.59107 0.61296 -0.05851 0.05251  0.03017  26  ARG A NH2 
105  N N   . GLU A 18  ? 0.31334 0.44633 0.64631 -0.09962 0.04923  0.05861  27  GLU A N   
106  C CA  . GLU A 18  ? 0.38176 0.49873 0.73682 -0.10775 0.03039  0.02896  27  GLU A CA  
107  C C   . GLU A 18  ? 0.37348 0.44492 0.74721 -0.11397 0.02322  0.02686  27  GLU A C   
108  O O   . GLU A 18  ? 0.37368 0.43086 0.78747 -0.12855 0.00960  0.01065  27  GLU A O   
109  C CB  . GLU A 18  ? 0.35472 0.47830 0.67215 -0.09154 0.02355  0.00094  27  GLU A CB  
110  C CG  . GLU A 18  ? 0.33603 0.50361 0.64932 -0.08804 0.02415  -0.00161 27  GLU A CG  
111  C CD  . GLU A 18  ? 0.35947 0.55138 0.72121 -0.10760 0.01499  -0.00423 27  GLU A CD  
112  O OE1 . GLU A 18  ? 0.32234 0.49781 0.70994 -0.12074 -0.00068 -0.02459 27  GLU A OE1 
113  O OE2 . GLU A 18  ? 0.31681 0.54497 0.69351 -0.10972 0.02311  0.01280  27  GLU A OE2 
114  N N   . ARG A 19  ? 0.37737 0.42538 0.72561 -0.10285 0.03058  0.04156  28  ARG A N   
115  C CA  . ARG A 19  ? 0.40709 0.41227 0.77580 -0.10605 0.02442  0.04436  28  ARG A CA  
116  C C   . ARG A 19  ? 0.38669 0.38596 0.75312 -0.10714 0.03637  0.08598  28  ARG A C   
117  O O   . ARG A 19  ? 0.41419 0.39833 0.75002 -0.09353 0.03938  0.09425  28  ARG A O   
118  C CB  . ARG A 19  ? 0.40714 0.39029 0.74739 -0.08890 0.01808  0.01782  28  ARG A CB  
119  C CG  . ARG A 19  ? 0.43141 0.42213 0.77085 -0.08722 0.00646  -0.02310 28  ARG A CG  
120  C CD  . ARG A 19  ? 0.41883 0.39182 0.80976 -0.10446 -0.00718 -0.04127 28  ARG A CD  
121  N NE  . ARG A 19  ? 0.43790 0.36582 0.85691 -0.10521 -0.01091 -0.03785 28  ARG A NE  
122  C CZ  . ARG A 19  ? 0.50904 0.41148 0.92320 -0.09274 -0.01684 -0.06503 28  ARG A CZ  
123  N NH1 . ARG A 19  ? 0.51691 0.43621 0.89644 -0.07953 -0.01891 -0.09690 28  ARG A NH1 
124  N NH2 . ARG A 19  ? 0.52597 0.38724 0.97269 -0.09271 -0.02001 -0.05813 28  ARG A NH2 
125  N N   . PRO A 20  ? 0.39995 0.41464 0.79906 -0.12373 0.04305  0.11450  29  PRO A N   
126  C CA  . PRO A 20  ? 0.43434 0.44938 0.82854 -0.12514 0.05533  0.15765  29  PRO A CA  
127  C C   . PRO A 20  ? 0.44186 0.41370 0.85008 -0.12406 0.04619  0.16778  29  PRO A C   
128  O O   . PRO A 20  ? 0.47713 0.44919 0.86320 -0.11786 0.05243  0.19777  29  PRO A O   
129  C CB  . PRO A 20  ? 0.38790 0.43153 0.80767 -0.13958 0.06150  0.17719  29  PRO A CB  
130  C CG  . PRO A 20  ? 0.40815 0.44581 0.87070 -0.15291 0.04653  0.14859  29  PRO A CG  
131  C CD  . PRO A 20  ? 0.37153 0.40719 0.81593 -0.14288 0.03916  0.11060  29  PRO A CD  
132  N N   . ASP A 21  ? 0.42439 0.36262 0.86370 -0.12672 0.03053  0.14025  30  ASP A N   
133  C CA  . ASP A 21  ? 0.45446 0.35359 0.90552 -0.12009 0.02138  0.14446  30  ASP A CA  
134  C C   . ASP A 21  ? 0.46662 0.35072 0.88516 -0.10196 0.02161  0.13875  30  ASP A C   
135  O O   . ASP A 21  ? 0.49945 0.36102 0.92048 -0.09351 0.01658  0.15092  30  ASP A O   
136  C CB  . ASP A 21  ? 0.46409 0.33518 0.95713 -0.12592 0.00563  0.11224  30  ASP A CB  
137  C CG  . ASP A 21  ? 0.52018 0.39072 1.00649 -0.12167 -0.00103 0.06516  30  ASP A CG  
138  O OD1 . ASP A 21  ? 0.43036 0.33179 0.89400 -0.12232 0.00592  0.05902  30  ASP A OD1 
139  O OD2 . ASP A 21  ? 0.59343 0.43681 1.09525 -0.11609 -0.01274 0.03356  30  ASP A OD2 
140  N N   . LEU A 22  ? 0.47400 0.37714 0.85358 -0.09165 0.02587  0.11758  31  LEU A N   
141  C CA  . LEU A 22  ? 0.47830 0.37455 0.81808 -0.07145 0.02487  0.10710  31  LEU A CA  
142  C C   . LEU A 22  ? 0.43739 0.36046 0.72796 -0.06343 0.03587  0.13085  31  LEU A C   
143  O O   . LEU A 22  ? 0.43857 0.39252 0.71504 -0.06871 0.04585  0.14061  31  LEU A O   
144  C CB  . LEU A 22  ? 0.44127 0.34336 0.76356 -0.06164 0.02015  0.06289  31  LEU A CB  
145  C CG  . LEU A 22  ? 0.50525 0.38884 0.86582 -0.06779 0.00908  0.02877  31  LEU A CG  
146  C CD1 . LEU A 22  ? 0.49192 0.38990 0.82262 -0.05512 0.00667  -0.00990 31  LEU A CD1 
147  C CD2 . LEU A 22  ? 0.51111 0.35178 0.91227 -0.06700 0.00124  0.03129  31  LEU A CD2 
148  N N   . ASP A 23  ? 0.43680 0.34903 0.70330 -0.05006 0.03339  0.13819  32  ASP A N   
149  C CA  . ASP A 23  ? 0.50533 0.43963 0.72130 -0.04034 0.04009  0.15189  32  ASP A CA  
150  C C   . ASP A 23  ? 0.47676 0.41441 0.66306 -0.02591 0.03685  0.12064  32  ASP A C   
151  O O   . ASP A 23  ? 0.53840 0.45784 0.72767 -0.01656 0.02901  0.11198  32  ASP A O   
152  C CB  . ASP A 23  ? 0.45731 0.38095 0.66914 -0.03763 0.03712  0.18593  32  ASP A CB  
153  C CG  . ASP A 23  ? 0.56387 0.50755 0.72146 -0.02632 0.03973  0.19268  32  ASP A CG  
154  O OD1 . ASP A 23  ? 0.48324 0.45045 0.60868 -0.02279 0.04731  0.17783  32  ASP A OD1 
155  O OD2 . ASP A 23  ? 0.57584 0.51119 0.72525 -0.02067 0.03272  0.21227  32  ASP A OD2 
156  N N   . ALA A 24  ? 0.49899 0.46164 0.66047 -0.02386 0.04331  0.10619  33  ALA A N   
157  C CA  . ALA A 24  ? 0.46411 0.43257 0.60169 -0.01218 0.04091  0.08012  33  ALA A CA  
158  C C   . ALA A 24  ? 0.42587 0.40462 0.52208 -0.00210 0.04314  0.08721  33  ALA A C   
159  O O   . ALA A 24  ? 0.44094 0.42968 0.51707 0.00555  0.04341  0.07027  33  ALA A O   
160  C CB  . ALA A 24  ? 0.44170 0.42982 0.58242 -0.01547 0.04397  0.06006  33  ALA A CB  
161  N N   . SER A 25  ? 0.46568 0.44254 0.54973 -0.00235 0.04353  0.11219  34  SER A N   
162  C CA  . SER A 25  ? 0.50419 0.49111 0.54760 0.00639  0.04339  0.11559  34  SER A CA  
163  C C   . SER A 25  ? 0.44822 0.42537 0.48277 0.01624  0.03360  0.10004  34  SER A C   
164  O O   . SER A 25  ? 0.44173 0.42838 0.44763 0.02248  0.03344  0.09150  34  SER A O   
165  C CB  . SER A 25  ? 0.50819 0.49792 0.53890 0.00390  0.04354  0.14625  34  SER A CB  
166  O OG  . SER A 25  ? 0.52561 0.49420 0.58444 0.00150  0.03461  0.16188  34  SER A OG  
167  N N   . PRO A 26  ? 0.46068 0.42047 0.52060 0.01839  0.02581  0.09556  35  PRO A N   
168  C CA  . PRO A 26  ? 0.46042 0.41823 0.51457 0.02755  0.01899  0.08147  35  PRO A CA  
169  C C   . PRO A 26  ? 0.43622 0.40587 0.48206 0.03039  0.02319  0.05914  35  PRO A C   
170  O O   . PRO A 26  ? 0.41637 0.38921 0.45303 0.03660  0.01902  0.05175  35  PRO A O   
171  C CB  . PRO A 26  ? 0.44333 0.38366 0.53275 0.03011  0.01337  0.07986  35  PRO A CB  
172  C CG  . PRO A 26  ? 0.49892 0.42896 0.61478 0.02140  0.01699  0.08479  35  PRO A CG  
173  C CD  . PRO A 26  ? 0.52367 0.46463 0.62046 0.01379  0.02243  0.10579  35  PRO A CD  
174  N N   . MET A 27  ? 0.43331 0.41143 0.48488 0.02544  0.03034  0.05077  36  MET A N   
175  C CA  . MET A 27  ? 0.42760 0.42014 0.47106 0.02853  0.03337  0.03413  36  MET A CA  
176  C C   . MET A 27  ? 0.38862 0.38999 0.40459 0.03296  0.03499  0.03625  36  MET A C   
177  O O   . MET A 27  ? 0.39282 0.40137 0.40359 0.03764  0.03450  0.02624  36  MET A O   
178  C CB  . MET A 27  ? 0.38561 0.38882 0.44278 0.02184  0.03852  0.02695  36  MET A CB  
179  C CG  . MET A 27  ? 0.38230 0.37789 0.46724 0.01776  0.03525  0.01494  36  MET A CG  
180  S SD  . MET A 27  ? 0.40351 0.41569 0.50458 0.00755  0.03795  0.00648  36  MET A SD  
181  C CE  . MET A 27  ? 0.40187 0.40340 0.52993 0.00519  0.03080  -0.01705 36  MET A CE  
182  N N   . GLY A 28  ? 0.39174 0.39330 0.39075 0.03191  0.03690  0.04891  37  GLY A N   
183  C CA  . GLY A 28  ? 0.37849 0.38740 0.35108 0.03705  0.03888  0.04622  37  GLY A CA  
184  C C   . GLY A 28  ? 0.40030 0.40172 0.36340 0.04269  0.02939  0.03919  37  GLY A C   
185  O O   . GLY A 28  ? 0.36932 0.37373 0.33202 0.04669  0.02938  0.02862  37  GLY A O   
186  N N   . PRO A 29  ? 0.38967 0.38227 0.34864 0.04255  0.02011  0.04728  38  PRO A N   
187  C CA  . PRO A 29  ? 0.34871 0.33636 0.30304 0.04600  0.00928  0.04165  38  PRO A CA  
188  C C   . PRO A 29  ? 0.33613 0.32465 0.31285 0.04750  0.00836  0.03399  38  PRO A C   
189  O O   . PRO A 29  ? 0.33483 0.32373 0.31041 0.04951  0.00454  0.02764  38  PRO A O   
190  C CB  . PRO A 29  ? 0.39089 0.37331 0.34391 0.04482  -0.00106 0.05507  38  PRO A CB  
191  C CG  . PRO A 29  ? 0.46911 0.45451 0.41259 0.04161  0.00525  0.06896  38  PRO A CG  
192  C CD  . PRO A 29  ? 0.38700 0.37565 0.34677 0.03888  0.01794  0.06462  38  PRO A CD  
193  N N   . ILE A 30  ? 0.31278 0.30245 0.31068 0.04662  0.01191  0.03438  39  ILE A N   
194  C CA  . ILE A 30  ? 0.31654 0.31313 0.33183 0.04915  0.01275  0.02709  39  ILE A CA  
195  C C   . ILE A 30  ? 0.30793 0.31551 0.31946 0.04977  0.01921  0.01961  39  ILE A C   
196  O O   . ILE A 30  ? 0.31028 0.32535 0.32667 0.05198  0.01821  0.01811  39  ILE A O   
197  C CB  . ILE A 30  ? 0.34181 0.33711 0.37874 0.04985  0.01497  0.02496  39  ILE A CB  
198  C CG1 . ILE A 30  ? 0.38020 0.36494 0.42656 0.05126  0.00712  0.03557  39  ILE A CG1 
199  C CG2 . ILE A 30  ? 0.36013 0.36922 0.40999 0.05377  0.01861  0.01521  39  ILE A CG2 
200  C CD1 . ILE A 30  ? 0.36570 0.34386 0.43819 0.05368  0.00883  0.03310  39  ILE A CD1 
201  N N   . GLY A 31  ? 0.32038 0.33141 0.32638 0.04762  0.02555  0.01773  40  GLY A N   
202  C CA  . GLY A 31  ? 0.29786 0.32180 0.30294 0.04919  0.03025  0.01277  40  GLY A CA  
203  C C   . GLY A 31  ? 0.33411 0.35524 0.32987 0.05331  0.02777  0.01341  40  GLY A C   
204  O O   . GLY A 31  ? 0.28438 0.31347 0.28690 0.05601  0.02763  0.01322  40  GLY A O   
205  N N   . ARG A 32  ? 0.28205 0.29200 0.26271 0.05400  0.02512  0.01418  41  ARG A N   
206  C CA  . ARG A 32  ? 0.27164 0.27457 0.24510 0.05824  0.02118  0.00981  41  ARG A CA  
207  C C   . ARG A 32  ? 0.28757 0.28444 0.27279 0.05716  0.01164  0.01195  41  ARG A C   
208  O O   . ARG A 32  ? 0.31055 0.30478 0.30440 0.05938  0.00909  0.01107  41  ARG A O   
209  C CB  . ARG A 32  ? 0.32893 0.32428 0.27918 0.05965  0.02014  0.00622  41  ARG A CB  
210  C CG  . ARG A 32  ? 0.35082 0.35717 0.29165 0.06187  0.03218  0.00543  41  ARG A CG  
211  C CD  . ARG A 32  ? 0.39008 0.39433 0.30353 0.06535  0.03307  0.00057  41  ARG A CD  
212  N NE  . ARG A 32  ? 0.43139 0.45197 0.33838 0.06816  0.04741  0.00159  41  ARG A NE  
213  C CZ  . ARG A 32  ? 0.41319 0.44492 0.31570 0.06278  0.05441  0.01406  41  ARG A CZ  
214  N NH1 . ARG A 32  ? 0.41256 0.43783 0.31598 0.05551  0.04776  0.02610  41  ARG A NH1 
215  N NH2 . ARG A 32  ? 0.42593 0.47663 0.32744 0.06492  0.06857  0.01631  41  ARG A NH2 
216  N N   . LEU A 33  ? 0.26561 0.26106 0.25597 0.05379  0.00625  0.01668  42  LEU A N   
217  C CA  . LEU A 33  ? 0.29551 0.29143 0.30301 0.05210  -0.00142 0.02104  42  LEU A CA  
218  C C   . LEU A 33  ? 0.27791 0.28847 0.30227 0.05323  0.00460  0.02518  42  LEU A C   
219  O O   . LEU A 33  ? 0.25074 0.26125 0.28740 0.05251  0.00075  0.02995  42  LEU A O   
220  C CB  . LEU A 33  ? 0.31200 0.30935 0.32711 0.05038  -0.00591 0.02623  42  LEU A CB  
221  C CG  . LEU A 33  ? 0.30752 0.31169 0.34580 0.04884  -0.01242 0.03248  42  LEU A CG  
222  C CD1 . LEU A 33  ? 0.31541 0.30869 0.35237 0.04496  -0.02715 0.03222  42  LEU A CD1 
223  C CD2 . LEU A 33  ? 0.29642 0.30821 0.34912 0.05084  -0.01124 0.03663  42  LEU A CD2 
224  N N   . ARG A 34  ? 0.23034 0.25460 0.25611 0.05448  0.01321  0.02400  43  ARG A N   
225  C CA  . ARG A 34  ? 0.27821 0.32252 0.31442 0.05602  0.01856  0.02785  43  ARG A CA  
226  C C   . ARG A 34  ? 0.28833 0.33567 0.32271 0.05812  0.02001  0.03057  43  ARG A C   
227  O O   . ARG A 34  ? 0.22744 0.28717 0.27287 0.05893  0.02031  0.04048  43  ARG A O   
228  C CB  . ARG A 34  ? 0.30206 0.36027 0.33788 0.05697  0.02534  0.02083  43  ARG A CB  
229  C CG  . ARG A 34  ? 0.31242 0.36834 0.35738 0.05754  0.02472  0.01823  43  ARG A CG  
230  C CD  . ARG A 34  ? 0.35630 0.42290 0.40401 0.05946  0.03088  0.00664  43  ARG A CD  
231  N NE  . ARG A 34  ? 0.37694 0.47045 0.42371 0.06205  0.03640  0.00453  43  ARG A NE  
232  C CZ  . ARG A 34  ? 0.37864 0.48472 0.41654 0.06123  0.03843  -0.00166 43  ARG A CZ  
233  N NH1 . ARG A 34  ? 0.40617 0.50056 0.43962 0.05746  0.03660  -0.00666 43  ARG A NH1 
234  N NH2 . ARG A 34  ? 0.37243 0.50740 0.40660 0.06401  0.04219  -0.00122 43  ARG A NH2 
235  N N   . ARG A 35  ? 0.27087 0.30942 0.29405 0.05967  0.02149  0.02419  44  ARG A N   
236  C CA  . ARG A 35  ? 0.27947 0.32077 0.30558 0.06399  0.02290  0.02639  44  ARG A CA  
237  C C   . ARG A 35  ? 0.31299 0.33752 0.34837 0.06543  0.01595  0.03018  44  ARG A C   
238  O O   . ARG A 35  ? 0.28532 0.31453 0.33534 0.06819  0.01507  0.03960  44  ARG A O   
239  C CB  . ARG A 35  ? 0.30173 0.34097 0.31691 0.06627  0.02789  0.01820  44  ARG A CB  
240  C CG  . ARG A 35  ? 0.32511 0.37336 0.34793 0.07263  0.03092  0.02010  44  ARG A CG  
241  C CD  . ARG A 35  ? 0.33297 0.38491 0.34838 0.07487  0.03796  0.01290  44  ARG A CD  
242  N NE  . ARG A 35  ? 0.38071 0.44508 0.40856 0.08251  0.04119  0.01509  44  ARG A NE  
243  C CZ  . ARG A 35  ? 0.42663 0.51592 0.46386 0.08188  0.04389  0.01868  44  ARG A CZ  
244  N NH1 . ARG A 35  ? 0.38309 0.48501 0.41779 0.07336  0.04383  0.01738  44  ARG A NH1 
245  N NH2 . ARG A 35  ? 0.38515 0.48683 0.43736 0.09028  0.04547  0.02262  44  ARG A NH2 
246  N N   . CYS A 36  ? 0.28959 0.29460 0.31857 0.06313  0.00942  0.02354  45  CYS A N   
247  C CA  . CYS A 36  ? 0.24630 0.23271 0.28686 0.06256  -0.00015 0.02341  45  CYS A CA  
248  C C   . CYS A 36  ? 0.28075 0.27536 0.34596 0.05755  -0.00403 0.03930  45  CYS A C   
249  O O   . CYS A 36  ? 0.26419 0.25052 0.34982 0.05739  -0.00890 0.04697  45  CYS A O   
250  C CB  . CYS A 36  ? 0.29413 0.26299 0.31997 0.05989  -0.00871 0.01157  45  CYS A CB  
251  S SG  . CYS A 36  ? 0.37431 0.33368 0.37090 0.06682  -0.00454 -0.00633 45  CYS A SG  
252  N N   . ALA A 37  ? 0.23725 0.24872 0.30393 0.05385  -0.00134 0.04524  46  ALA A N   
253  C CA  . ALA A 37  ? 0.27080 0.29622 0.36123 0.04940  -0.00269 0.06131  46  ALA A CA  
254  C C   . ALA A 37  ? 0.25986 0.30513 0.36067 0.05191  0.00395  0.07676  46  ALA A C   
255  O O   . ALA A 37  ? 0.29543 0.34548 0.42022 0.04832  0.00118  0.09434  46  ALA A O   
256  C CB  . ALA A 37  ? 0.24544 0.28761 0.33536 0.04797  0.00103  0.06150  46  ALA A CB  
257  N N   . VAL A 38  ? 0.26440 0.32344 0.34942 0.05722  0.01166  0.07261  47  VAL A N   
258  C CA  . VAL A 38  ? 0.29409 0.37597 0.38587 0.06020  0.01591  0.08821  47  VAL A CA  
259  C C   . VAL A 38  ? 0.29934 0.36300 0.40772 0.06288  0.01002  0.09658  47  VAL A C   
260  O O   . VAL A 38  ? 0.28344 0.35640 0.41275 0.06209  0.00858  0.11870  47  VAL A O   
261  C CB  . VAL A 38  ? 0.31941 0.42173 0.39161 0.06422  0.02258  0.07908  47  VAL A CB  
262  C CG1 . VAL A 38  ? 0.36670 0.49338 0.44398 0.06800  0.02381  0.09522  47  VAL A CG1 
263  C CG2 . VAL A 38  ? 0.33685 0.45718 0.39892 0.06248  0.02811  0.07094  47  VAL A CG2 
264  N N   . LEU A 39  ? 0.29106 0.32943 0.39210 0.06687  0.00717  0.07983  48  LEU A N   
265  C CA  . LEU A 39  ? 0.31318 0.33053 0.43264 0.07188  0.00184  0.08274  48  LEU A CA  
266  C C   . LEU A 39  ? 0.31115 0.30576 0.45556 0.06555  -0.00825 0.08937  48  LEU A C   
267  O O   . LEU A 39  ? 0.33033 0.31424 0.50289 0.06703  -0.01318 0.10349  48  LEU A O   
268  C CB  . LEU A 39  ? 0.32480 0.32394 0.42879 0.07899  0.00324  0.05979  48  LEU A CB  
269  C CG  . LEU A 39  ? 0.32759 0.34869 0.41646 0.08469  0.01235  0.05529  48  LEU A CG  
270  C CD1 . LEU A 39  ? 0.38020 0.38719 0.45274 0.08982  0.01590  0.03390  48  LEU A CD1 
271  C CD2 . LEU A 39  ? 0.30324 0.34036 0.41127 0.09174  0.01307  0.07175  48  LEU A CD2 
272  N N   . MET A 40  ? 0.29344 0.28035 0.43213 0.05800  -0.01281 0.08052  49  MET A N   
273  C CA  . MET A 40  ? 0.33122 0.30069 0.49777 0.04942  -0.02431 0.08725  49  MET A CA  
274  C C   . MET A 40  ? 0.30192 0.29488 0.49711 0.04370  -0.02181 0.11894  49  MET A C   
275  O O   . MET A 40  ? 0.32092 0.29976 0.55096 0.03869  -0.02986 0.13402  49  MET A O   
276  C CB  . MET A 40  ? 0.25232 0.21628 0.40721 0.04270  -0.03056 0.07323  49  MET A CB  
277  C CG  . MET A 40  ? 0.34478 0.29428 0.53102 0.03181  -0.04482 0.07881  49  MET A CG  
278  S SD  . MET A 40  ? 0.41556 0.31920 0.61523 0.03246  -0.06065 0.05914  49  MET A SD  
279  C CE  . MET A 40  ? 0.36245 0.25466 0.51530 0.03723  -0.06402 0.02460  49  MET A CE  
280  N N   . ASP A 41  ? 0.28927 0.31913 0.47107 0.04447  -0.01045 0.12939  50  ASP A N   
281  C CA  . ASP A 41  ? 0.30534 0.36640 0.50818 0.04031  -0.00518 0.16020  50  ASP A CA  
282  C C   . ASP A 41  ? 0.31113 0.37399 0.53119 0.04367  -0.00555 0.18163  50  ASP A C   
283  O O   . ASP A 41  ? 0.32847 0.40053 0.57615 0.03504  -0.00613 0.20417  50  ASP A O   
284  C CB  . ASP A 41  ? 0.27511 0.37640 0.45362 0.04326  0.00783  0.16002  50  ASP A CB  
285  C CG  . ASP A 41  ? 0.37307 0.48031 0.55142 0.03865  0.00890  0.15107  50  ASP A CG  
286  O OD1 . ASP A 41  ? 0.38609 0.47342 0.58680 0.03116  -0.00112 0.15168  50  ASP A OD1 
287  O OD2 . ASP A 41  ? 0.39235 0.52396 0.55087 0.04282  0.01856  0.14252  50  ASP A OD2 
288  N N   . GLN A 42  ? 0.33845 0.39591 0.54147 0.05341  -0.00400 0.17070  51  GLN A N   
289  C CA  . GLN A 42  ? 0.32777 0.38675 0.54433 0.05489  -0.00444 0.18450  51  GLN A CA  
290  C C   . GLN A 42  ? 0.33288 0.35407 0.58247 0.05009  -0.01510 0.18420  51  GLN A C   
291  O O   . GLN A 42  ? 0.32243 0.34885 0.59828 0.04563  -0.01656 0.20536  51  GLN A O   
292  C CB  . GLN A 42  ? 0.36212 0.42360 0.55787 0.06683  -0.00165 0.17130  51  GLN A CB  
293  C CG  . GLN A 42  ? 0.38646 0.48767 0.55285 0.07066  0.00685  0.17052  51  GLN A CG  
294  C CD  . GLN A 42  ? 0.44294 0.54839 0.59508 0.08041  0.00814  0.15727  51  GLN A CD  
295  O OE1 . GLN A 42  ? 0.46571 0.54534 0.62905 0.08611  0.00456  0.14861  51  GLN A OE1 
296  N NE2 . GLN A 42  ? 0.44326 0.58339 0.57269 0.08255  0.01312  0.15404  51  GLN A NE2 
297  N N   . ARG A 43  ? 0.33357 0.31781 0.58312 0.05115  -0.02331 0.15953  52  ARG A N   
298  C CA  . ARG A 43  ? 0.32468 0.27184 0.60447 0.04648  -0.03524 0.15338  52  ARG A CA  
299  C C   . ARG A 43  ? 0.35813 0.31228 0.67067 0.03065  -0.04057 0.17347  52  ARG A C   
300  O O   . ARG A 43  ? 0.34542 0.28637 0.69329 0.02462  -0.04782 0.18358  52  ARG A O   
301  C CB  . ARG A 43  ? 0.39551 0.30595 0.66212 0.05171  -0.04305 0.11864  52  ARG A CB  
302  C CG  . ARG A 43  ? 0.38516 0.29018 0.62633 0.06807  -0.03667 0.09841  52  ARG A CG  
303  C CD  . ARG A 43  ? 0.41446 0.30536 0.67314 0.07585  -0.03737 0.09865  52  ARG A CD  
304  N NE  . ARG A 43  ? 0.44277 0.29514 0.72486 0.07242  -0.04938 0.08363  52  ARG A NE  
305  C CZ  . ARG A 43  ? 0.49180 0.31421 0.76193 0.07939  -0.05405 0.04921  52  ARG A CZ  
306  N NH1 . ARG A 43  ? 0.49365 0.32049 0.73030 0.09026  -0.04678 0.02793  52  ARG A NH1 
307  N NH2 . ARG A 43  ? 0.55578 0.34602 0.84808 0.07510  -0.06609 0.03492  52  ARG A NH2 
308  N N   . LEU A 44  ? 0.33188 0.30912 0.63718 0.02433  -0.03693 0.18016  53  LEU A N   
309  C CA  . LEU A 44  ? 0.34634 0.33694 0.68657 0.00977  -0.04079 0.20054  53  LEU A CA  
310  C C   . LEU A 44  ? 0.34186 0.37129 0.70088 0.00660  -0.03132 0.23503  53  LEU A C   
311  O O   . LEU A 44  ? 0.34610 0.37618 0.74637 -0.00266 -0.03742 0.25317  53  LEU A O   
312  C CB  . LEU A 44  ? 0.36458 0.37187 0.69356 0.00617  -0.03854 0.19811  53  LEU A CB  
313  C CG  . LEU A 44  ? 0.34791 0.32189 0.66130 0.00800  -0.05009 0.16740  53  LEU A CG  
314  C CD1 . LEU A 44  ? 0.29270 0.29291 0.59572 0.00395  -0.04628 0.16601  53  LEU A CD1 
315  C CD2 . LEU A 44  ? 0.37684 0.31214 0.71926 -0.00103 -0.06888 0.15408  53  LEU A CD2 
316  N N   . GLU A 45  ? 0.35068 0.41523 0.68061 0.01463  -0.01746 0.24414  54  GLU A N   
317  C CA  . GLU A 45  ? 0.36855 0.47686 0.71142 0.01282  -0.00852 0.27619  54  GLU A CA  
318  C C   . GLU A 45  ? 0.34594 0.44226 0.71007 0.01435  -0.01339 0.28763  54  GLU A C   
319  O O   . GLU A 45  ? 0.38018 0.50800 0.76710 0.01090  -0.00994 0.31750  54  GLU A O   
320  C CB  . GLU A 45  ? 0.34015 0.49090 0.64306 0.02161  0.00565  0.27828  54  GLU A CB  
321  C CG  . GLU A 45  ? 0.42312 0.58679 0.70670 0.02213  0.01134  0.26751  54  GLU A CG  
322  C CD  . GLU A 45  ? 0.53910 0.75884 0.79927 0.02815  0.02582  0.27860  54  GLU A CD  
323  O OE1 . GLU A 45  ? 0.46487 0.72161 0.74406 0.02569  0.03014  0.30258  54  GLU A OE1 
324  O OE2 . GLU A 45  ? 0.54644 0.77374 0.76859 0.03693  0.03125  0.26095  54  GLU A OE2 
325  N N   . SER A 46  ? 0.36314 0.41693 0.72199 0.02091  -0.02120 0.26521  55  SER A N   
326  C CA  . SER A 46  ? 0.38796 0.42464 0.77437 0.02296  -0.02725 0.27469  55  SER A CA  
327  C C   . SER A 46  ? 0.44602 0.46528 0.88330 0.01118  -0.03815 0.28650  55  SER A C   
328  O O   . SER A 46  ? 0.45781 0.47521 0.92786 0.01030  -0.04189 0.30582  55  SER A O   
329  C CB  . SER A 46  ? 0.35501 0.35233 0.72471 0.03531  -0.03199 0.24478  55  SER A CB  
330  N N   . CYS A 47  ? 0.40982 0.41771 0.85712 0.00203  -0.04447 0.27618  56  CYS A N   
331  C CA  . CYS A 47  ? 0.39088 0.38969 0.88889 -0.01081 -0.05597 0.28852  56  CYS A CA  
332  C C   . CYS A 47  ? 0.41162 0.46099 0.92977 -0.01953 -0.04880 0.32265  56  CYS A C   
333  O O   . CYS A 47  ? 0.41124 0.47024 0.97525 -0.02704 -0.05391 0.34866  56  CYS A O   
334  C CB  . CYS A 47  ? 0.39537 0.35495 0.89553 -0.01579 -0.06981 0.25671  56  CYS A CB  
335  S SG  . CYS A 47  ? 0.46985 0.41612 1.03307 -0.03207 -0.08787 0.26654  56  CYS A SG  
336  N N   . PHE A 48  ? 0.37854 0.46169 0.86452 -0.01720 -0.03684 0.32315  57  PHE A N   
337  C CA  . PHE A 48  ? 0.35972 0.49549 0.86066 -0.02144 -0.02814 0.35349  57  PHE A CA  
338  C C   . PHE A 48  ? 0.37817 0.55285 0.88722 -0.01756 -0.01980 0.38613  57  PHE A C   
339  O O   . PHE A 48  ? 0.37407 0.58397 0.91343 -0.02206 -0.01791 0.41695  57  PHE A O   
340  C CB  . PHE A 48  ? 0.31405 0.47738 0.77492 -0.01609 -0.01599 0.34381  57  PHE A CB  
341  C CG  . PHE A 48  ? 0.35644 0.49006 0.81311 -0.02070 -0.02403 0.31782  57  PHE A CG  
342  C CD1 . PHE A 48  ? 0.31813 0.42267 0.81430 -0.03184 -0.04079 0.31339  57  PHE A CD1 
343  C CD2 . PHE A 48  ? 0.28483 0.42075 0.69891 -0.01375 -0.01624 0.29798  57  PHE A CD2 
344  C CE1 . PHE A 48  ? 0.30953 0.38966 0.80086 -0.03623 -0.05037 0.28937  57  PHE A CE1 
345  C CE2 . PHE A 48  ? 0.32252 0.43286 0.73395 -0.01783 -0.02469 0.27651  57  PHE A CE2 
346  C CZ  . PHE A 48  ? 0.30908 0.39244 0.75827 -0.02932 -0.04217 0.27201  57  PHE A CZ  
347  N N   . SER A 49  ? 0.38866 0.55953 0.87096 -0.00857 -0.01551 0.38096  58  SER A N   
348  C CA  . SER A 49  ? 0.37414 0.58554 0.85961 -0.00430 -0.00845 0.41127  58  SER A CA  
349  C C   . SER A 49  ? 0.42411 0.62950 0.96575 -0.01165 -0.01754 0.43973  58  SER A C   
350  O O   . SER A 49  ? 0.44320 0.69229 0.99885 -0.01115 -0.01228 0.47399  58  SER A O   
351  C CB  . SER A 49  ? 0.41285 0.61740 0.86086 0.00658  -0.00486 0.39774  58  SER A CB  
352  O OG  . SER A 49  ? 0.45864 0.60630 0.91496 0.00822  -0.01560 0.37607  58  SER A OG  
353  N N   . ARG A 50  ? 0.42876 0.58201 1.00309 -0.01789 -0.03187 0.42601  59  ARG A N   
354  C CA  . ARG A 50  ? 0.46833 0.61263 1.10145 -0.02541 -0.04212 0.45182  59  ARG A CA  
355  C C   . ARG A 50  ? 0.47736 0.66065 1.14560 -0.03461 -0.04122 0.48346  59  ARG A C   
356  O O   . ARG A 50  ? 0.51170 0.70401 1.22839 -0.04021 -0.04656 0.51551  59  ARG A O   
357  C CB  . ARG A 50  ? 0.48849 0.56770 1.14661 -0.02913 -0.05896 0.42390  59  ARG A CB  
358  C CG  . ARG A 50  ? 0.55632 0.59580 1.18116 -0.01748 -0.06011 0.39152  59  ARG A CG  
359  C CD  . ARG A 50  ? 0.60121 0.58179 1.25872 -0.01846 -0.07673 0.36988  59  ARG A CD  
360  N NE  . ARG A 50  ? 0.59029 0.53693 1.21731 -0.00426 -0.07654 0.34020  59  ARG A NE  
361  C CZ  . ARG A 50  ? 0.60666 0.50361 1.25316 0.00050  -0.08817 0.31709  59  ARG A CZ  
362  N NH1 . ARG A 50  ? 0.59247 0.46397 1.28960 -0.00886 -0.10250 0.31868  59  ARG A NH1 
363  N NH2 . ARG A 50  ? 0.70986 0.58363 1.32558 0.01594  -0.08541 0.29102  59  ARG A NH2 
364  N N   . PHE A 51  ? 0.45043 0.65727 1.09692 -0.03530 -0.03464 0.47650  60  PHE A N   
365  C CA  . PHE A 51  ? 0.45924 0.70477 1.13439 -0.04145 -0.03268 0.50500  60  PHE A CA  
366  C C   . PHE A 51  ? 0.44584 0.75493 1.08499 -0.03231 -0.01489 0.52331  60  PHE A C   
367  O O   . PHE A 51  ? 0.45081 0.79425 1.10081 -0.03417 -0.01041 0.54223  60  PHE A O   
368  C CB  . PHE A 51  ? 0.44777 0.66877 1.13242 -0.04894 -0.04136 0.48331  60  PHE A CB  
369  C CG  . PHE A 51  ? 0.46610 0.62516 1.18119 -0.05717 -0.06088 0.45983  60  PHE A CG  
370  C CD1 . PHE A 51  ? 0.45222 0.56609 1.13431 -0.05265 -0.06535 0.41955  60  PHE A CD1 
371  C CD2 . PHE A 51  ? 0.50215 0.64841 1.27768 -0.06851 -0.07528 0.47702  60  PHE A CD2 
372  C CE1 . PHE A 51  ? 0.47560 0.53359 1.18059 -0.05781 -0.08360 0.39456  60  PHE A CE1 
373  C CE2 . PHE A 51  ? 0.52527 0.61414 1.32664 -0.07488 -0.09455 0.45150  60  PHE A CE2 
374  C CZ  . PHE A 51  ? 0.51274 0.55789 1.27683 -0.06883 -0.09857 0.40902  60  PHE A CZ  
375  N N   . ASP A 52  ? 0.40676 0.81888 0.74654 -0.00122 -0.04121 0.46067  61  ASP A N   
376  C CA  . ASP A 52  ? 0.41077 0.85901 0.72907 -0.02038 -0.05805 0.46311  61  ASP A CA  
377  C C   . ASP A 52  ? 0.43738 0.87157 0.72458 -0.03074 -0.06204 0.43750  61  ASP A C   
378  O O   . ASP A 52  ? 0.39883 0.84283 0.65483 -0.04331 -0.07055 0.43098  61  ASP A O   
379  C CB  . ASP A 52  ? 0.53497 0.99918 0.84106 -0.02498 -0.06340 0.47692  61  ASP A CB  
380  C CG  . ASP A 52  ? 0.45529 0.96327 0.74633 -0.04105 -0.08071 0.48765  61  ASP A CG  
381  O OD1 . ASP A 52  ? 0.52202 1.05134 0.82288 -0.04719 -0.08895 0.49148  61  ASP A OD1 
382  O OD2 . ASP A 52  ? 0.52516 1.04472 0.79280 -0.04773 -0.08614 0.49203  61  ASP A OD2 
383  N N   . LEU A 53  ? 0.43491 0.84519 0.72896 -0.02446 -0.05482 0.42292  62  LEU A N   
384  C CA  . LEU A 53  ? 0.41627 0.80973 0.68343 -0.03226 -0.05751 0.39911  62  LEU A CA  
385  C C   . LEU A 53  ? 0.34371 0.75185 0.61938 -0.03834 -0.06368 0.39747  62  LEU A C   
386  O O   . LEU A 53  ? 0.34769 0.76025 0.65523 -0.02896 -0.05718 0.40882  62  LEU A O   
387  C CB  . LEU A 53  ? 0.37537 0.71943 0.63829 -0.01941 -0.04310 0.38080  62  LEU A CB  
388  C CG  . LEU A 53  ? 0.39448 0.71653 0.64781 -0.01544 -0.03705 0.37938  62  LEU A CG  
389  C CD1 . LEU A 53  ? 0.43000 0.70103 0.67975 -0.00435 -0.02455 0.36037  62  LEU A CD1 
390  C CD2 . LEU A 53  ? 0.36013 0.69892 0.58254 -0.03062 -0.04592 0.37561  62  LEU A CD2 
391  N N   . SER A 54  ? 0.34081 0.75599 0.58711 -0.05423 -0.07570 0.38345  63  SER A N   
392  C CA  . SER A 54  ? 0.34120 0.76122 0.59128 -0.06106 -0.08185 0.37725  63  SER A CA  
393  C C   . SER A 54  ? 0.30965 0.68907 0.55527 -0.05084 -0.07004 0.35787  63  SER A C   
394  O O   . SER A 54  ? 0.33922 0.68601 0.57838 -0.03915 -0.05770 0.34884  63  SER A O   
395  C CB  . SER A 54  ? 0.34493 0.78710 0.56174 -0.08322 -0.10177 0.36788  63  SER A CB  
396  O OG  . SER A 54  ? 0.37591 0.79975 0.55242 -0.08818 -0.10231 0.34638  63  SER A OG  
397  N N   . SER A 55  ? 0.29992 0.67918 0.54817 -0.05581 -0.07440 0.35108  64  SER A N   
398  C CA  . SER A 55  ? 0.34438 0.68372 0.58506 -0.04628 -0.06344 0.33305  64  SER A CA  
399  C C   . SER A 55  ? 0.29592 0.61403 0.49285 -0.05453 -0.06704 0.31186  64  SER A C   
400  O O   . SER A 55  ? 0.32120 0.59889 0.50793 -0.04412 -0.05304 0.29814  64  SER A O   
401  C CB  . SER A 55  ? 0.33849 0.68557 0.59525 -0.04983 -0.06757 0.33358  64  SER A CB  
402  O OG  . SER A 55  ? 0.42855 0.77786 0.72544 -0.03448 -0.05315 0.34906  64  SER A OG  
403  N N   . TRP A 56  ? 0.30690 0.64920 0.47636 -0.07364 -0.08372 0.30338  65  TRP A N   
404  C CA  . TRP A 56  ? 0.35996 0.68082 0.48819 -0.08095 -0.08152 0.27410  65  TRP A CA  
405  C C   . TRP A 56  ? 0.36738 0.68382 0.48584 -0.07485 -0.07444 0.28403  65  TRP A C   
406  O O   . TRP A 56  ? 0.30329 0.59233 0.40142 -0.07316 -0.06485 0.26364  65  TRP A O   
407  C CB  . TRP A 56  ? 0.33615 0.67995 0.43404 -0.10149 -0.09961 0.25928  65  TRP A CB  
408  C CG  . TRP A 56  ? 0.38570 0.77255 0.47836 -0.11088 -0.11586 0.28145  65  TRP A CG  
409  C CD1 . TRP A 56  ? 0.41356 0.82821 0.52705 -0.11847 -0.12695 0.29523  65  TRP A CD1 
410  C CD2 . TRP A 56  ? 0.37280 0.76725 0.43888 -0.11305 -0.11393 0.28201  65  TRP A CD2 
411  N NE1 . TRP A 56  ? 0.43714 0.87448 0.53604 -0.12479 -0.13335 0.30422  65  TRP A NE1 
412  C CE2 . TRP A 56  ? 0.44155 0.86768 0.51189 -0.12112 -0.12517 0.29637  65  TRP A CE2 
413  C CE3 . TRP A 56  ? 0.44355 0.82174 0.48445 -0.10874 -0.10292 0.27306  65  TRP A CE3 
414  C CZ2 . TRP A 56  ? 0.45759 0.89893 0.50602 -0.12383 -0.12618 0.30173  65  TRP A CZ2 
415  C CZ3 . TRP A 56  ? 0.48005 0.87562 0.50291 -0.11176 -0.10278 0.27893  65  TRP A CZ3 
416  C CH2 . TRP A 56  ? 0.48572 0.91197 0.51122 -0.11872 -0.11447 0.29302  65  TRP A CH2 
417  N N   . GLU A 57  ? 0.34822 0.68820 0.48625 -0.07165 -0.07592 0.30735  66  GLU A N   
418  C CA  . GLU A 57  ? 0.33126 0.66362 0.46797 -0.06540 -0.06687 0.31251  66  GLU A CA  
419  C C   . GLU A 57  ? 0.30720 0.59743 0.46115 -0.04891 -0.05065 0.30760  66  GLU A C   
420  O O   . GLU A 57  ? 0.34831 0.61713 0.48927 -0.04743 -0.04343 0.29906  66  GLU A O   
421  C CB  . GLU A 57  ? 0.35381 0.71761 0.51014 -0.06505 -0.07130 0.33575  66  GLU A CB  
422  C CG  . GLU A 57  ? 0.44949 0.84745 0.57772 -0.08087 -0.08492 0.33763  66  GLU A CG  
423  C CD  . GLU A 57  ? 0.41767 0.84724 0.56649 -0.08118 -0.09090 0.36206  66  GLU A CD  
424  O OE1 . GLU A 57  ? 0.40688 0.84098 0.59187 -0.07358 -0.08894 0.37617  66  GLU A OE1 
425  O OE2 . GLU A 57  ? 0.44401 0.89368 0.57213 -0.08814 -0.09646 0.36751  66  GLU A OE2 
426  N N   . PHE A 58  ? 0.31567 0.59345 0.49829 -0.03655 -0.04450 0.31198  67  PHE A N   
427  C CA  . PHE A 58  ? 0.33642 0.56905 0.52823 -0.02062 -0.02967 0.30190  67  PHE A CA  
428  C C   . PHE A 58  ? 0.35244 0.55258 0.51965 -0.02306 -0.02603 0.27919  67  PHE A C   
429  O O   . PHE A 58  ? 0.36381 0.53021 0.52487 -0.01737 -0.01803 0.26840  67  PHE A O   
430  C CB  . PHE A 58  ? 0.34710 0.57455 0.56818 -0.00659 -0.02218 0.30842  67  PHE A CB  
431  C CG  . PHE A 58  ? 0.36256 0.54092 0.58499 0.00990  -0.00712 0.29414  67  PHE A CG  
432  C CD1 . PHE A 58  ? 0.36139 0.52111 0.59205 0.01983  0.00025  0.29823  67  PHE A CD1 
433  C CD2 . PHE A 58  ? 0.34623 0.49539 0.55828 0.01465  -0.00114 0.27602  67  PHE A CD2 
434  C CE1 . PHE A 58  ? 0.33202 0.44456 0.55691 0.03298  0.01171  0.28289  67  PHE A CE1 
435  C CE2 . PHE A 58  ? 0.35105 0.45423 0.55773 0.02903  0.01136  0.26064  67  PHE A CE2 
436  C CZ  . PHE A 58  ? 0.34172 0.42658 0.55305 0.03752  0.01691  0.26340  67  PHE A CZ  
437  N N   . ASP A 59  ? 0.31934 0.52902 0.47250 -0.03282 -0.03268 0.27229  68  ASP A N   
438  C CA  . ASP A 59  ? 0.35125 0.52939 0.48233 -0.03470 -0.02778 0.24048  68  ASP A CA  
439  C C   . ASP A 59  ? 0.33335 0.50754 0.44077 -0.04204 -0.02744 0.22770  68  ASP A C   
440  O O   . ASP A 59  ? 0.33260 0.47328 0.43471 -0.03639 -0.01948 0.21218  68  ASP A O   
441  C CB  . ASP A 59  ? 0.36034 0.55083 0.48157 -0.04519 -0.03532 0.22425  68  ASP A CB  
442  C CG  . ASP A 59  ? 0.37963 0.53226 0.48579 -0.04206 -0.02802 0.19376  68  ASP A CG  
443  O OD1 . ASP A 59  ? 0.35030 0.46854 0.45391 -0.03134 -0.01819 0.18529  68  ASP A OD1 
444  O OD2 . ASP A 59  ? 0.30665 0.46279 0.40356 -0.05072 -0.03319 0.17882  68  ASP A OD2 
445  N N   . MET A 60  ? 0.36268 0.57225 0.45588 -0.05425 -0.03606 0.23517  69  MET A N   
446  C CA  . MET A 60  ? 0.33294 0.54375 0.40379 -0.06044 -0.03343 0.22470  69  MET A CA  
447  C C   . MET A 60  ? 0.35858 0.55584 0.44522 -0.05352 -0.02523 0.24116  69  MET A C   
448  O O   . MET A 60  ? 0.36231 0.54295 0.44173 -0.05406 -0.01887 0.22786  69  MET A O   
449  C CB  . MET A 60  ? 0.38419 0.63556 0.43193 -0.07347 -0.04349 0.23031  69  MET A CB  
450  C CG  . MET A 60  ? 0.44178 0.69830 0.46378 -0.08328 -0.05174 0.20493  69  MET A CG  
451  S SD  . MET A 60  ? 0.53332 0.83008 0.51757 -0.09773 -0.06360 0.20682  69  MET A SD  
452  C CE  . MET A 60  ? 0.53822 0.82206 0.49339 -0.10707 -0.07118 0.16983  69  MET A CE  
453  N N   . LEU A 61  ? 0.29616 0.49931 0.40728 -0.04643 -0.02567 0.26600  70  LEU A N   
454  C CA  . LEU A 61  ? 0.37287 0.55758 0.50054 -0.03922 -0.01893 0.27221  70  LEU A CA  
455  C C   . LEU A 61  ? 0.38743 0.52383 0.52344 -0.02899 -0.01131 0.25816  70  LEU A C   
456  O O   . LEU A 61  ? 0.36187 0.47735 0.49872 -0.02963 -0.00724 0.25341  70  LEU A O   
457  C CB  . LEU A 61  ? 0.35914 0.56025 0.50998 -0.03282 -0.02094 0.29260  70  LEU A CB  
458  C CG  . LEU A 61  ? 0.37430 0.62123 0.51834 -0.04215 -0.02910 0.30871  70  LEU A CG  
459  C CD1 . LEU A 61  ? 0.36747 0.62473 0.53792 -0.03455 -0.02904 0.32985  70  LEU A CD1 
460  C CD2 . LEU A 61  ? 0.39192 0.64954 0.51366 -0.05185 -0.02753 0.30615  70  LEU A CD2 
461  N N   . ALA A 62  ? 0.39182 0.51047 0.53386 -0.01969 -0.00959 0.25123  71  ALA A N   
462  C CA  . ALA A 62  ? 0.33131 0.40208 0.47474 -0.00864 -0.00263 0.23472  71  ALA A CA  
463  C C   . ALA A 62  ? 0.39545 0.44765 0.52071 -0.01508 -0.00230 0.21677  71  ALA A C   
464  O O   . ALA A 62  ? 0.41737 0.43185 0.54268 -0.00975 0.00080  0.20474  71  ALA A O   
465  C CB  . ALA A 62  ? 0.35304 0.41323 0.50391 0.00338  0.00119  0.23095  71  ALA A CB  
466  N N   . THR A 63  ? 0.37202 0.45058 0.47929 -0.02558 -0.00644 0.20276  72  THR A N   
467  C CA  . THR A 63  ? 0.35695 0.42196 0.44584 -0.02959 -0.00559 0.17402  72  THR A CA  
468  C C   . THR A 63  ? 0.38026 0.44784 0.47081 -0.03534 -0.00398 0.17603  72  THR A C   
469  O O   . THR A 63  ? 0.37416 0.41514 0.46415 -0.03314 -0.00221 0.15973  72  THR A O   
470  C CB  . THR A 63  ? 0.35984 0.45000 0.42795 -0.03864 -0.01004 0.15931  72  THR A CB  
471  O OG1 . THR A 63  ? 0.34985 0.43745 0.42131 -0.03502 -0.01191 0.15858  72  THR A OG1 
472  C CG2 . THR A 63  ? 0.36108 0.43568 0.41113 -0.04025 -0.00804 0.13038  72  THR A CG2 
473  N N   . LEU A 64  ? 0.36171 0.46278 0.45532 -0.04295 -0.00485 0.19737  73  LEU A N   
474  C CA  . LEU A 64  ? 0.38826 0.49489 0.48842 -0.04868 -0.00152 0.20479  73  LEU A CA  
475  C C   . LEU A 64  ? 0.39673 0.46745 0.52013 -0.04296 -0.00018 0.21439  73  LEU A C   
476  O O   . LEU A 64  ? 0.41825 0.47587 0.54930 -0.04653 0.00107  0.20855  73  LEU A O   
477  C CB  . LEU A 64  ? 0.36928 0.51849 0.46630 -0.05668 -0.00175 0.22945  73  LEU A CB  
478  C CG  . LEU A 64  ? 0.35555 0.53971 0.42348 -0.06400 -0.00370 0.21910  73  LEU A CG  
479  C CD1 . LEU A 64  ? 0.45766 0.68039 0.52028 -0.06969 -0.00625 0.24704  73  LEU A CD1 
480  C CD2 . LEU A 64  ? 0.38573 0.57251 0.44083 -0.06747 0.00254  0.19886  73  LEU A CD2 
481  N N   . ARG A 65  ? 0.41115 0.46520 0.54625 -0.03358 -0.00089 0.22758  74  ARG A N   
482  C CA  . ARG A 65  ? 0.40909 0.42483 0.55816 -0.02515 -0.00031 0.22400  74  ARG A CA  
483  C C   . ARG A 65  ? 0.46466 0.43704 0.60716 -0.02030 -0.00090 0.20081  74  ARG A C   
484  O O   . ARG A 65  ? 0.45709 0.40266 0.60581 -0.02118 -0.00295 0.19383  74  ARG A O   
485  C CB  . ARG A 65  ? 0.39641 0.40802 0.55305 -0.01324 0.00092  0.23145  74  ARG A CB  
486  C CG  . ARG A 65  ? 0.41359 0.38307 0.57563 -0.00401 0.00263  0.22482  74  ARG A CG  
487  C CD  . ARG A 65  ? 0.46234 0.42953 0.63617 -0.01229 0.00079  0.23433  74  ARG A CD  
488  N NE  . ARG A 65  ? 0.49103 0.41355 0.66461 -0.00565 0.00051  0.22567  74  ARG A NE  
489  C CZ  . ARG A 65  ? 0.52889 0.41477 0.69294 -0.00613 -0.00269 0.20607  74  ARG A CZ  
490  N NH1 . ARG A 65  ? 0.45650 0.34462 0.61520 -0.01193 -0.00522 0.19349  74  ARG A NH1 
491  N NH2 . ARG A 65  ? 0.56558 0.41092 0.72331 -0.00069 -0.00416 0.19881  74  ARG A NH2 
492  N N   . ARG A 66  ? 0.38082 0.34635 0.50981 -0.01552 -0.00029 0.18742  75  ARG A N   
493  C CA  . ARG A 66  ? 0.40426 0.33006 0.52219 -0.00883 -0.00132 0.16099  75  ARG A CA  
494  C C   . ARG A 66  ? 0.40109 0.32955 0.51572 -0.01811 -0.00479 0.14415  75  ARG A C   
495  O O   . ARG A 66  ? 0.40766 0.30131 0.51713 -0.01377 -0.00824 0.12567  75  ARG A O   
496  C CB  . ARG A 66  ? 0.41510 0.34042 0.51687 -0.00175 0.00101  0.14614  75  ARG A CB  
497  C CG  . ARG A 66  ? 0.44420 0.35601 0.54841 0.01176  0.00573  0.15334  75  ARG A CG  
498  C CD  . ARG A 66  ? 0.44694 0.35241 0.53973 0.01838  0.00904  0.14183  75  ARG A CD  
499  N NE  . ARG A 66  ? 0.38109 0.32872 0.47856 0.01217  0.00850  0.15318  75  ARG A NE  
500  C CZ  . ARG A 66  ? 0.39449 0.36806 0.47977 0.00065  0.00437  0.14089  75  ARG A CZ  
501  N NH1 . ARG A 66  ? 0.41528 0.37948 0.48493 -0.00425 0.00237  0.11849  75  ARG A NH1 
502  N NH2 . ARG A 66  ? 0.34560 0.35453 0.43460 -0.00583 0.00145  0.15128  75  ARG A NH2 
503  N N   . ALA A 67  ? 0.39945 0.36919 0.51627 -0.02972 -0.00378 0.15060  76  ALA A N   
504  C CA  . ALA A 67  ? 0.43741 0.41546 0.55437 -0.03692 -0.00484 0.13655  76  ALA A CA  
505  C C   . ALA A 67  ? 0.41927 0.38095 0.55897 -0.04224 -0.00832 0.14550  76  ALA A C   
506  O O   . ALA A 67  ? 0.41281 0.37453 0.55816 -0.04685 -0.01093 0.13313  76  ALA A O   
507  C CB  . ALA A 67  ? 0.37163 0.39875 0.48108 -0.04562 -0.00024 0.14113  76  ALA A CB  
508  N N   . GLY A 68  ? 0.43866 0.38628 0.59339 -0.04196 -0.00900 0.16728  77  GLY A N   
509  C CA  . GLY A 68  ? 0.43855 0.36912 0.61663 -0.04939 -0.01336 0.17809  77  GLY A CA  
510  C C   . GLY A 68  ? 0.47208 0.44628 0.66751 -0.06272 -0.00862 0.20010  77  GLY A C   
511  O O   . GLY A 68  ? 0.45679 0.47406 0.64182 -0.06587 -0.00216 0.20127  77  GLY A O   
512  N N   . ALA A 69  ? 0.45122 0.41549 0.66574 -0.06727 -0.01191 0.20971  78  ALA A N   
513  C CA  . ALA A 69  ? 0.45629 0.45942 0.68811 -0.07827 -0.00690 0.23072  78  ALA A CA  
514  C C   . ALA A 69  ? 0.42699 0.46287 0.66600 -0.08872 -0.00209 0.22776  78  ALA A C   
515  O O   . ALA A 69  ? 0.47516 0.49364 0.71558 -0.08827 -0.00785 0.20566  78  ALA A O   
516  C CB  . ALA A 69  ? 0.43838 0.41960 0.69103 -0.08213 -0.01285 0.23710  78  ALA A CB  
517  N N   . PRO A 70  ? 0.43410 0.51933 0.67121 -0.09375 0.00826  0.24259  79  PRO A N   
518  C CA  . PRO A 70  ? 0.42101 0.52943 0.64957 -0.09104 0.01270  0.26253  79  PRO A CA  
519  C C   . PRO A 70  ? 0.44976 0.57351 0.64896 -0.08419 0.01506  0.26128  79  PRO A C   
520  O O   . PRO A 70  ? 0.44950 0.60710 0.63674 -0.08421 0.01950  0.27471  79  PRO A O   
521  C CB  . PRO A 70  ? 0.43977 0.59133 0.67624 -0.09874 0.02203  0.27457  79  PRO A CB  
522  C CG  . PRO A 70  ? 0.44791 0.61473 0.68267 -0.10200 0.02707  0.25767  79  PRO A CG  
523  C CD  . PRO A 70  ? 0.42582 0.54730 0.66868 -0.10005 0.01576  0.23711  79  PRO A CD  
524  N N   . HIS A 71  ? 0.44133 0.53974 0.62894 -0.07853 0.01103  0.24530  80  HIS A N   
525  C CA  . HIS A 71  ? 0.43190 0.54051 0.59447 -0.07161 0.01055  0.24173  80  HIS A CA  
526  C C   . HIS A 71  ? 0.44057 0.59454 0.57892 -0.07531 0.01625  0.23751  80  HIS A C   
527  O O   . HIS A 71  ? 0.45243 0.63324 0.57654 -0.07618 0.01668  0.25239  80  HIS A O   
528  C CB  . HIS A 71  ? 0.40817 0.51206 0.57557 -0.06460 0.00704  0.25822  80  HIS A CB  
529  C CG  . HIS A 71  ? 0.44033 0.49992 0.62569 -0.05806 0.00262  0.25595  80  HIS A CG  
530  N ND1 . HIS A 71  ? 0.45153 0.47037 0.63261 -0.04945 -0.00077 0.23790  80  HIS A ND1 
531  C CD2 . HIS A 71  ? 0.45339 0.50175 0.65697 -0.05856 0.00140  0.26754  80  HIS A CD2 
532  C CE1 . HIS A 71  ? 0.44693 0.43176 0.63888 -0.04461 -0.00367 0.23642  80  HIS A CE1 
533  N NE2 . HIS A 71  ? 0.47130 0.47269 0.67830 -0.05087 -0.00274 0.25480  80  HIS A NE2 
534  N N   . CYS A 72  ? 0.45505 0.61632 0.58745 -0.07673 0.02007  0.21660  81  CYS A N   
535  C CA  . CYS A 72  ? 0.45101 0.64990 0.55799 -0.07846 0.02724  0.20896  81  CYS A CA  
536  C C   . CYS A 72  ? 0.41271 0.59736 0.49949 -0.07226 0.02514  0.17424  81  CYS A C   
537  O O   . CYS A 72  ? 0.39652 0.55921 0.49582 -0.06953 0.02388  0.15763  81  CYS A O   
538  C CB  . CYS A 72  ? 0.40613 0.63266 0.52750 -0.08462 0.03775  0.22098  81  CYS A CB  
539  S SG  . CYS A 72  ? 0.56660 0.84054 0.65252 -0.08431 0.05025  0.21628  81  CYS A SG  
540  N N   . LEU A 73  ? 0.39079 0.58691 0.44668 -0.07065 0.02348  0.16399  82  LEU A N   
541  C CA  . LEU A 73  ? 0.38630 0.56724 0.42126 -0.06548 0.02131  0.13253  82  LEU A CA  
542  C C   . LEU A 73  ? 0.39935 0.60848 0.39985 -0.06696 0.02604  0.12226  82  LEU A C   
543  O O   . LEU A 73  ? 0.42337 0.66041 0.40901 -0.07175 0.02670  0.13872  82  LEU A O   
544  C CB  . LEU A 73  ? 0.38692 0.54164 0.41820 -0.06190 0.01201  0.12607  82  LEU A CB  
545  C CG  . LEU A 73  ? 0.38817 0.50389 0.44260 -0.05615 0.00798  0.12529  82  LEU A CG  
546  C CD1 . LEU A 73  ? 0.38644 0.48383 0.43438 -0.05139 0.00227  0.12116  82  LEU A CD1 
547  C CD2 . LEU A 73  ? 0.41179 0.50608 0.47059 -0.05205 0.00911  0.10325  82  LEU A CD2 
548  N N   . SER A 74  ? 0.36589 0.56523 0.35145 -0.06196 0.02890  0.09460  83  SER A N   
549  C CA  . SER A 74  ? 0.42528 0.64026 0.37248 -0.06170 0.03194  0.07893  83  SER A CA  
550  C C   . SER A 74  ? 0.38428 0.58793 0.31090 -0.06497 0.02000  0.07117  83  SER A C   
551  O O   . SER A 74  ? 0.36520 0.54456 0.30814 -0.06403 0.01233  0.07095  83  SER A O   
552  C CB  . SER A 74  ? 0.39325 0.59772 0.33263 -0.05373 0.03904  0.05209  83  SER A CB  
553  O OG  . SER A 74  ? 0.39207 0.56038 0.33542 -0.04938 0.03148  0.03269  83  SER A OG  
554  N N   . PRO A 75  ? 0.39057 0.61184 0.28128 -0.06905 0.01805  0.06550  84  PRO A N   
555  C CA  . PRO A 75  ? 0.40895 0.62117 0.28298 -0.07463 0.00447  0.05803  84  PRO A CA  
556  C C   . PRO A 75  ? 0.40946 0.58600 0.28560 -0.07077 0.00080  0.03336  84  PRO A C   
557  O O   . PRO A 75  ? 0.44343 0.60771 0.32804 -0.07418 -0.00905 0.03563  84  PRO A O   
558  C CB  . PRO A 75  ? 0.43056 0.66364 0.25997 -0.07917 0.00354  0.04984  84  PRO A CB  
559  C CG  . PRO A 75  ? 0.43955 0.70218 0.26832 -0.07711 0.01597  0.06821  84  PRO A CG  
560  C CD  . PRO A 75  ? 0.40750 0.65935 0.27144 -0.06955 0.02736  0.06900  84  PRO A CD  
561  N N   . THR A 76  ? 0.40683 0.56771 0.27706 -0.06300 0.00913  0.01165  85  THR A N   
562  C CA  . THR A 76  ? 0.42359 0.54902 0.29597 -0.05820 0.00617  -0.00986 85  THR A CA  
563  C C   . THR A 76  ? 0.40437 0.51017 0.31172 -0.05420 0.00432  0.00070  85  THR A C   
564  O O   . THR A 76  ? 0.43812 0.52186 0.34994 -0.05417 -0.00196 -0.00337 85  THR A O   
565  C CB  . THR A 76  ? 0.41094 0.52590 0.27010 -0.04897 0.01567  -0.03327 85  THR A CB  
566  O OG1 . THR A 76  ? 0.49310 0.61725 0.31292 -0.05110 0.01706  -0.04763 85  THR A OG1 
567  C CG2 . THR A 76  ? 0.45490 0.53219 0.31975 -0.04257 0.01296  -0.05196 85  THR A CG2 
568  N N   . GLU A 77  ? 0.40133 0.51372 0.33293 -0.05087 0.00994  0.01455  86  GLU A N   
569  C CA  . GLU A 77  ? 0.37035 0.46078 0.33080 -0.04711 0.00719  0.02429  86  GLU A CA  
570  C C   . GLU A 77  ? 0.37078 0.46388 0.34004 -0.05129 0.00077  0.04376  86  GLU A C   
571  O O   . GLU A 77  ? 0.34496 0.41269 0.32523 -0.04673 -0.00230 0.04367  86  GLU A O   
572  C CB  . GLU A 77  ? 0.42929 0.52745 0.41409 -0.04575 0.01232  0.03695  86  GLU A CB  
573  C CG  . GLU A 77  ? 0.45625 0.54606 0.44499 -0.03933 0.01698  0.01953  86  GLU A CG  
574  C CD  . GLU A 77  ? 0.44873 0.55153 0.46622 -0.04102 0.02064  0.03484  86  GLU A CD  
575  O OE1 . GLU A 77  ? 0.39492 0.52706 0.41785 -0.04745 0.02522  0.05538  86  GLU A OE1 
576  O OE2 . GLU A 77  ? 0.56310 0.64689 0.59811 -0.03664 0.01806  0.02735  86  GLU A OE2 
577  N N   . LEU A 78  ? 0.36792 0.49256 0.33208 -0.05870 -0.00073 0.06172  87  LEU A N   
578  C CA  . LEU A 78  ? 0.37767 0.50989 0.35287 -0.06190 -0.00738 0.08275  87  LEU A CA  
579  C C   . LEU A 78  ? 0.36833 0.48932 0.33468 -0.06350 -0.01444 0.07161  87  LEU A C   
580  O O   . LEU A 78  ? 0.38194 0.49064 0.36668 -0.05991 -0.01672 0.08151  87  LEU A O   
581  C CB  . LEU A 78  ? 0.40199 0.57252 0.36897 -0.06967 -0.00916 0.10330  87  LEU A CB  
582  C CG  . LEU A 78  ? 0.38884 0.57460 0.36511 -0.07350 -0.01807 0.12589  87  LEU A CG  
583  C CD1 . LEU A 78  ? 0.36404 0.53381 0.37396 -0.06616 -0.01582 0.14562  87  LEU A CD1 
584  C CD2 . LEU A 78  ? 0.39637 0.62075 0.35668 -0.08137 -0.02154 0.14343  87  LEU A CD2 
585  N N   . PHE A 79  ? 0.38602 0.51003 0.32477 -0.06858 -0.01726 0.05143  88  PHE A N   
586  C CA  . PHE A 79  ? 0.39395 0.50799 0.32571 -0.07303 -0.02514 0.04168  88  PHE A CA  
587  C C   . PHE A 79  ? 0.41087 0.48838 0.35525 -0.06412 -0.02132 0.03051  88  PHE A C   
588  O O   . PHE A 79  ? 0.42133 0.49158 0.37811 -0.06449 -0.02479 0.03676  88  PHE A O   
589  C CB  . PHE A 79  ? 0.46077 0.57901 0.35728 -0.08046 -0.02925 0.01993  88  PHE A CB  
590  C CG  . PHE A 79  ? 0.48697 0.59579 0.37661 -0.08861 -0.03951 0.01061  88  PHE A CG  
591  C CD1 . PHE A 79  ? 0.52498 0.65868 0.41692 -0.10022 -0.05210 0.02600  88  PHE A CD1 
592  C CD2 . PHE A 79  ? 0.51183 0.58790 0.39451 -0.08538 -0.03742 -0.01205 88  PHE A CD2 
593  C CE1 . PHE A 79  ? 0.54528 0.67246 0.43556 -0.11001 -0.06284 0.01893  88  PHE A CE1 
594  C CE2 . PHE A 79  ? 0.55232 0.61920 0.43145 -0.09457 -0.04672 -0.01888 88  PHE A CE2 
595  C CZ  . PHE A 79  ? 0.57357 0.66663 0.45784 -0.10770 -0.05967 -0.00342 88  PHE A CZ  
596  N N   . SER A 80  ? 0.34596 0.40192 0.28796 -0.05558 -0.01405 0.01544  89  SER A N   
597  C CA  . SER A 80  ? 0.43709 0.45689 0.38402 -0.04664 -0.01135 0.00275  89  SER A CA  
598  C C   . SER A 80  ? 0.37524 0.38048 0.34638 -0.03857 -0.00902 0.01905  89  SER A C   
599  O O   . SER A 80  ? 0.38500 0.36190 0.35826 -0.03117 -0.00701 0.01259  89  SER A O   
600  C CB  . SER A 80  ? 0.44727 0.45048 0.38476 -0.03943 -0.00620 -0.01720 89  SER A CB  
601  O OG  . SER A 80  ? 0.46103 0.46831 0.41506 -0.03499 -0.00261 -0.00734 89  SER A OG  
602  N N   . THR A 81  ? 0.35344 0.37486 0.34075 -0.03888 -0.00851 0.04012  90  THR A N   
603  C CA  . THR A 81  ? 0.37535 0.37823 0.38306 -0.02977 -0.00579 0.05458  90  THR A CA  
604  C C   . THR A 81  ? 0.35707 0.37852 0.38045 -0.03133 -0.00764 0.07893  90  THR A C   
605  O O   . THR A 81  ? 0.33961 0.34830 0.38016 -0.02272 -0.00433 0.09405  90  THR A O   
606  C CB  . THR A 81  ? 0.34697 0.34515 0.36507 -0.02712 -0.00372 0.06017  90  THR A CB  
607  O OG1 . THR A 81  ? 0.38140 0.41482 0.39909 -0.03649 -0.00442 0.07080  90  THR A OG1 
608  C CG2 . THR A 81  ? 0.37977 0.35297 0.38988 -0.02198 -0.00263 0.03791  90  THR A CG2 
609  N N   . LEU A 82  ? 0.34839 0.39847 0.36621 -0.04161 -0.01359 0.08299  91  LEU A N   
610  C CA  . LEU A 82  ? 0.37584 0.44587 0.41187 -0.04289 -0.01689 0.10618  91  LEU A CA  
611  C C   . LEU A 82  ? 0.35808 0.40532 0.40530 -0.03389 -0.01215 0.10533  91  LEU A C   
612  O O   . LEU A 82  ? 0.34649 0.36930 0.38117 -0.03173 -0.00954 0.08498  91  LEU A O   
613  C CB  . LEU A 82  ? 0.34858 0.45451 0.37424 -0.05793 -0.02758 0.10877  91  LEU A CB  
614  C CG  . LEU A 82  ? 0.36501 0.50103 0.37773 -0.06650 -0.03222 0.11597  91  LEU A CG  
615  C CD1 . LEU A 82  ? 0.35893 0.52186 0.35254 -0.08108 -0.04447 0.11170  91  LEU A CD1 
616  C CD2 . LEU A 82  ? 0.33349 0.48600 0.36842 -0.06230 -0.03117 0.14644  91  LEU A CD2 
617  N N   . MET A 83  ? 0.35866 0.41442 0.42991 -0.02731 -0.00984 0.12918  92  MET A N   
618  C CA  . MET A 83  ? 0.36121 0.39984 0.44494 -0.01715 -0.00268 0.13212  92  MET A CA  
619  C C   . MET A 83  ? 0.36459 0.41824 0.44640 -0.02881 -0.00851 0.12545  92  MET A C   
620  O O   . MET A 83  ? 0.35179 0.38133 0.42847 -0.02458 -0.00280 0.11276  92  MET A O   
621  C CB  . MET A 83  ? 0.35118 0.40040 0.46312 -0.00643 0.00208  0.16115  92  MET A CB  
622  C CG  . MET A 83  ? 0.37796 0.41514 0.50534 0.00588  0.01215  0.16797  92  MET A CG  
623  S SD  . MET A 83  ? 0.37458 0.35211 0.48227 0.02426  0.02583  0.14714  92  MET A SD  
624  C CE  . MET A 83  ? 0.42454 0.38029 0.53716 0.03893  0.03073  0.15861  92  MET A CE  
625  N N   . VAL A 84  ? 0.37689 0.46902 0.46169 -0.04424 -0.02082 0.13427  93  VAL A N   
626  C CA  . VAL A 84  ? 0.41962 0.52623 0.50161 -0.05918 -0.03024 0.12721  93  VAL A CA  
627  C C   . VAL A 84  ? 0.45652 0.57839 0.51070 -0.07523 -0.04283 0.11267  93  VAL A C   
628  O O   . VAL A 84  ? 0.37568 0.51990 0.42555 -0.07811 -0.04760 0.12287  93  VAL A O   
629  C CB  . VAL A 84  ? 0.35086 0.49168 0.46630 -0.06310 -0.03543 0.15430  93  VAL A CB  
630  C CG1 . VAL A 84  ? 0.31557 0.43910 0.45582 -0.04546 -0.01980 0.16634  93  VAL A CG1 
631  C CG2 . VAL A 84  ? 0.35502 0.53171 0.48241 -0.06513 -0.04318 0.17836  93  VAL A CG2 
632  N N   . THR A 85  ? 0.59296 0.70047 0.62628 -0.08449 -0.04707 0.08905  94  THR A N   
633  C CA  . THR A 85  ? 0.62068 0.73878 0.62333 -0.09847 -0.05822 0.07287  94  THR A CA  
634  C C   . THR A 85  ? 0.61457 0.76815 0.62239 -0.11624 -0.07587 0.08482  94  THR A C   
635  O O   . THR A 85  ? 0.61330 0.78275 0.65190 -0.11902 -0.07956 0.10372  94  THR A O   
636  C CB  . THR A 85  ? 0.66748 0.75175 0.64412 -0.09985 -0.05575 0.04197  94  THR A CB  
637  O OG1 . THR A 85  ? 0.69351 0.76159 0.68532 -0.10092 -0.05424 0.04123  94  THR A OG1 
638  C CG2 . THR A 85  ? 0.62005 0.67678 0.58592 -0.08442 -0.04243 0.02895  94  THR A CG2 
639  N N   . SER A 86  ? 0.64751 0.81455 0.62430 -0.12801 -0.08709 0.07402  95  SER A N   
640  C CA  . SER A 86  ? 0.61756 0.81708 0.59214 -0.14641 -0.10743 0.08283  95  SER A CA  
641  C C   . SER A 86  ? 0.64721 0.84061 0.57347 -0.15769 -0.11689 0.05669  95  SER A C   
642  O O   . SER A 86  ? 0.64398 0.80446 0.54603 -0.15262 -0.10789 0.03037  95  SER A O   
643  C CB  . SER A 86  ? 0.61461 0.85356 0.61115 -0.14405 -0.11176 0.11580  95  SER A CB  
644  N N   . GLY A 87  ? 0.66046 0.88479 0.57139 -0.17153 -0.13482 0.06418  96  GLY A N   
645  C CA  . GLY A 87  ? 0.69403 0.91325 0.55361 -0.18099 -0.14393 0.04039  96  GLY A CA  
646  C C   . GLY A 87  ? 0.68240 0.90271 0.51584 -0.16822 -0.12988 0.03691  96  GLY A C   
647  O O   . GLY A 87  ? 0.59978 0.81043 0.45160 -0.15226 -0.11137 0.04272  96  GLY A O   
648  N N   . THR A 88  ? 0.66965 0.89870 0.46234 -0.17349 -0.13672 0.02749  97  THR A N   
649  C CA  . THR A 88  ? 0.65132 0.88629 0.41888 -0.16223 -0.12280 0.02645  97  THR A CA  
650  C C   . THR A 88  ? 0.63214 0.90158 0.42611 -0.15717 -0.11957 0.06208  97  THR A C   
651  O O   . THR A 88  ? 0.64049 0.93313 0.46472 -0.16246 -0.13090 0.08738  97  THR A O   
652  C CB  . THR A 88  ? 0.68526 0.91692 0.41091 -0.16349 -0.12693 0.01117  97  THR A CB  
653  O OG1 . THR A 88  ? 0.72999 0.96646 0.43287 -0.15126 -0.11039 0.00965  97  THR A OG1 
654  C CG2 . THR A 88  ? 0.65328 0.91438 0.38405 -0.17377 -0.14471 0.03185  97  THR A CG2 
655  N N   . MET A 89  ? 0.66075 0.93025 0.44892 -0.14457 -0.10160 0.06472  98  MET A N   
656  C CA  . MET A 89  ? 0.61008 0.90326 0.42503 -0.13732 -0.09459 0.09712  98  MET A CA  
657  C C   . MET A 89  ? 0.55996 0.88117 0.34567 -0.13887 -0.09544 0.10879  98  MET A C   
658  O O   . MET A 89  ? 0.56052 0.90075 0.36503 -0.13311 -0.08857 0.13612  98  MET A O   
659  C CB  . MET A 89  ? 0.58263 0.85446 0.42155 -0.12256 -0.07355 0.09583  98  MET A CB  
660  C CG  . MET A 89  ? 0.56196 0.80139 0.42902 -0.11744 -0.06964 0.08424  98  MET A CG  
661  S SD  . MET A 89  ? 0.55939 0.77530 0.45283 -0.10119 -0.04925 0.08522  98  MET A SD  
662  C CE  . MET A 89  ? 0.48612 0.70190 0.34278 -0.09829 -0.03819 0.06407  98  MET A CE  
663  N N   . THR A 90  ? 0.62193 0.93662 0.36875 -0.14311 -0.10040 0.08681  99  THR A N   
664  C CA  . THR A 90  ? 0.64059 0.97159 0.35954 -0.13989 -0.09632 0.09248  99  THR A CA  
665  C C   . THR A 90  ? 0.58037 0.94300 0.32041 -0.14320 -0.10557 0.12617  99  THR A C   
666  O O   . THR A 90  ? 0.60316 0.98354 0.35117 -0.13646 -0.09506 0.14785  99  THR A O   
667  C CB  . THR A 90  ? 0.62556 0.93866 0.29789 -0.14319 -0.10377 0.06333  99  THR A CB  
668  O OG1 . THR A 90  ? 0.70750 0.98900 0.36168 -0.13637 -0.09193 0.03297  99  THR A OG1 
669  C CG2 . THR A 90  ? 0.64933 0.97861 0.28865 -0.13902 -0.10071 0.07039  99  THR A CG2 
670  N N   . HIS A 91  ? 0.59529 0.96505 0.34771 -0.15340 -0.12485 0.13167  100 HIS A N   
671  C CA  . HIS A 91  ? 0.59303 0.99303 0.36534 -0.15601 -0.13444 0.16242  100 HIS A CA  
672  C C   . HIS A 91  ? 0.53533 0.94706 0.35974 -0.14939 -0.12759 0.19272  100 HIS A C   
673  O O   . HIS A 91  ? 0.53024 0.96334 0.37084 -0.14525 -0.12562 0.21964  100 HIS A O   
674  C CB  . HIS A 91  ? 0.61977 1.02459 0.39087 -0.16905 -0.15726 0.15862  100 HIS A CB  
675  C CG  . HIS A 91  ? 0.63614 1.01661 0.36128 -0.17533 -0.16517 0.12373  100 HIS A CG  
676  N ND1 . HIS A 91  ? 0.69130 1.07270 0.37011 -0.17587 -0.17084 0.11431  100 HIS A ND1 
677  C CD2 . HIS A 91  ? 0.64120 0.99205 0.35898 -0.17979 -0.16785 0.09586  100 HIS A CD2 
678  C CE1 . HIS A 91  ? 0.72233 1.07416 0.36725 -0.17957 -0.17693 0.08169  100 HIS A CE1 
679  N NE2 . HIS A 91  ? 0.68770 1.02052 0.35694 -0.18233 -0.17504 0.07011  100 HIS A NE2 
680  N N   . ARG A 92  ? 0.52851 0.92342 0.37847 -0.14699 -0.12360 0.18847  101 ARG A N   
681  C CA  . ARG A 92  ? 0.49551 0.89407 0.39282 -0.13786 -0.11624 0.21546  101 ARG A CA  
682  C C   . ARG A 92  ? 0.50911 0.90490 0.40889 -0.12695 -0.09806 0.22622  101 ARG A C   
683  O O   . ARG A 92  ? 0.50628 0.91211 0.43730 -0.12012 -0.09348 0.25299  101 ARG A O   
684  C CB  . ARG A 92  ? 0.53552 0.91302 0.45396 -0.13642 -0.11617 0.20677  101 ARG A CB  
685  C CG  . ARG A 92  ? 0.50103 0.88518 0.43409 -0.14668 -0.13306 0.20485  101 ARG A CG  
686  C CD  . ARG A 92  ? 0.50279 0.86397 0.46243 -0.14280 -0.12904 0.19693  101 ARG A CD  
687  N NE  . ARG A 92  ? 0.44787 0.82385 0.43180 -0.15249 -0.14507 0.20428  101 ARG A NE  
688  C CZ  . ARG A 92  ? 0.45768 0.81523 0.47271 -0.14866 -0.13917 0.20022  101 ARG A CZ  
689  N NH1 . ARG A 92  ? 0.46370 0.78464 0.48551 -0.13505 -0.11913 0.18715  101 ARG A NH1 
690  N NH2 . ARG A 92  ? 0.52036 0.89792 0.56058 -0.15887 -0.15404 0.21064  101 ARG A NH2 
691  N N   . LEU A 93  ? 0.52947 0.91064 0.39924 -0.12502 -0.08688 0.20519  102 LEU A N   
692  C CA  . LEU A 93  ? 0.54024 0.92167 0.41379 -0.11655 -0.06951 0.21569  102 LEU A CA  
693  C C   . LEU A 93  ? 0.52757 0.93403 0.39004 -0.11686 -0.06981 0.23157  102 LEU A C   
694  O O   . LEU A 93  ? 0.51562 0.92821 0.40017 -0.11051 -0.06010 0.25315  102 LEU A O   
695  C CB  . LEU A 93  ? 0.50666 0.87107 0.35208 -0.11435 -0.05672 0.18949  102 LEU A CB  
696  C CG  . LEU A 93  ? 0.51032 0.84146 0.37750 -0.10912 -0.04974 0.17216  102 LEU A CG  
697  C CD1 . LEU A 93  ? 0.55085 0.86441 0.39015 -0.10651 -0.03950 0.13925  102 LEU A CD1 
698  C CD2 . LEU A 93  ? 0.50260 0.82333 0.41215 -0.10046 -0.03860 0.19244  102 LEU A CD2 
699  N N   . LYS A 94  ? 0.52892 0.94695 0.35697 -0.12415 -0.08146 0.22086  103 LYS A N   
700  C CA  . LYS A 94  ? 0.54978 0.99024 0.36115 -0.12400 -0.08255 0.23562  103 LYS A CA  
701  C C   . LYS A 94  ? 0.54416 1.00381 0.39345 -0.12321 -0.08974 0.26819  103 LYS A C   
702  O O   . LYS A 94  ? 0.56126 1.03606 0.41348 -0.11903 -0.08421 0.28840  103 LYS A O   
703  C CB  . LYS A 94  ? 0.59562 1.03784 0.35869 -0.13145 -0.09519 0.21482  103 LYS A CB  
704  N N   . ARG A 95  ? 0.52668 0.98589 0.40628 -0.12627 -0.10099 0.27412  104 ARG A N   
705  C CA  . ARG A 95  ? 0.51777 0.99428 0.43683 -0.12327 -0.10580 0.30455  104 ARG A CA  
706  C C   . ARG A 95  ? 0.51701 0.98200 0.47487 -0.11148 -0.09039 0.32172  104 ARG A C   
707  O O   . ARG A 95  ? 0.52714 1.00450 0.50401 -0.10635 -0.08759 0.34543  104 ARG A O   
708  C CB  . ARG A 95  ? 0.50568 0.98606 0.44809 -0.12880 -0.12028 0.30629  104 ARG A CB  
709  C CG  . ARG A 95  ? 0.55504 1.05469 0.53946 -0.12435 -0.12398 0.33738  104 ARG A CG  
710  C CD  . ARG A 95  ? 0.51720 1.01823 0.53464 -0.12649 -0.13247 0.34131  104 ARG A CD  
711  N NE  . ARG A 95  ? 0.54380 1.06205 0.60360 -0.11948 -0.13237 0.37112  104 ARG A NE  
712  C CZ  . ARG A 95  ? 0.53410 1.05711 0.63160 -0.11741 -0.13544 0.38198  104 ARG A CZ  
713  N NH1 . ARG A 95  ? 0.45041 0.96277 0.55069 -0.12248 -0.13966 0.36708  104 ARG A NH1 
714  N NH2 . ARG A 95  ? 0.51426 1.05304 0.64797 -0.10942 -0.13328 0.40885  104 ARG A NH2 
715  N N   . LEU A 96  ? 0.49798 0.93635 0.46707 -0.10701 -0.08106 0.30921  105 LEU A N   
716  C CA  . LEU A 96  ? 0.51800 0.93793 0.52044 -0.09614 -0.06731 0.32121  105 LEU A CA  
717  C C   . LEU A 96  ? 0.56554 0.99089 0.55734 -0.09392 -0.05654 0.32877  105 LEU A C   
718  O O   . LEU A 96  ? 0.50106 0.92051 0.52209 -0.08674 -0.04963 0.34681  105 LEU A O   
719  C CB  . LEU A 96  ? 0.49014 0.87814 0.49817 -0.09278 -0.05996 0.30329  105 LEU A CB  
720  C CG  . LEU A 96  ? 0.43388 0.80944 0.46436 -0.09055 -0.06603 0.30095  105 LEU A CG  
721  C CD1 . LEU A 96  ? 0.44874 0.79175 0.47470 -0.08789 -0.05823 0.28138  105 LEU A CD1 
722  C CD2 . LEU A 96  ? 0.39241 0.76504 0.46710 -0.07991 -0.06379 0.32315  105 LEU A CD2 
723  N N   . GLU A 97  ? 0.54923 0.98428 0.49935 -0.09940 -0.05442 0.31463  106 GLU A N   
724  C CA  . GLU A 97  ? 0.55202 0.99598 0.49123 -0.09697 -0.04292 0.32337  106 GLU A CA  
725  C C   . GLU A 97  ? 0.56719 1.03589 0.50899 -0.09679 -0.04877 0.34806  106 GLU A C   
726  O O   . GLU A 97  ? 0.60216 1.07432 0.55838 -0.09227 -0.03988 0.36657  106 GLU A O   
727  C CB  . GLU A 97  ? 0.57777 1.02457 0.46994 -0.10038 -0.03715 0.30013  106 GLU A CB  
728  C CG  . GLU A 97  ? 0.64813 1.10430 0.52907 -0.09676 -0.02198 0.30799  106 GLU A CG  
729  C CD  . GLU A 97  ? 0.74405 1.20146 0.57830 -0.09730 -0.01417 0.28328  106 GLU A CD  
730  O OE1 . GLU A 97  ? 0.72178 1.17127 0.52939 -0.10115 -0.02275 0.25905  106 GLU A OE1 
731  O OE2 . GLU A 97  ? 0.76896 1.23384 0.59405 -0.09325 0.00100  0.28766  106 GLU A OE2 
732  N N   . THR A 98  ? 0.55017 1.03590 0.47894 -0.10226 -0.06434 0.34923  107 THR A N   
733  C CA  . THR A 98  ? 0.61117 1.12139 0.54147 -0.10226 -0.07131 0.37327  107 THR A CA  
734  C C   . THR A 98  ? 0.58685 1.09459 0.56841 -0.09494 -0.06987 0.39855  107 THR A C   
735  O O   . THR A 98  ? 0.58045 1.10002 0.57114 -0.09116 -0.06692 0.42122  107 THR A O   
736  C CB  . THR A 98  ? 0.60048 1.12758 0.50646 -0.11084 -0.09017 0.36723  107 THR A CB  
737  O OG1 . THR A 98  ? 0.66537 1.18893 0.51935 -0.11632 -0.09131 0.34096  107 THR A OG1 
738  C CG2 . THR A 98  ? 0.63608 1.18926 0.54237 -0.11080 -0.09852 0.39293  107 THR A CG2 
739  N N   . ARG A 99  ? 0.56482 1.05507 0.57856 -0.09181 -0.07109 0.39444  108 ARG A N   
740  C CA  . ARG A 99  ? 0.50967 0.99102 0.57029 -0.08248 -0.06807 0.41406  108 ARG A CA  
741  C C   . ARG A 99  ? 0.50129 0.95846 0.57984 -0.07502 -0.05337 0.41828  108 ARG A C   
742  O O   . ARG A 99  ? 0.49699 0.94190 0.61056 -0.06659 -0.04995 0.43325  108 ARG A O   
743  C CB  . ARG A 99  ? 0.51815 0.98618 0.60359 -0.08002 -0.07236 0.40632  108 ARG A CB  
744  C CG  . ARG A 99  ? 0.49998 0.99135 0.57421 -0.08893 -0.08802 0.40365  108 ARG A CG  
745  C CD  . ARG A 99  ? 0.51226 0.99414 0.62026 -0.08467 -0.09013 0.40344  108 ARG A CD  
746  N NE  . ARG A 99  ? 0.46425 0.94263 0.61437 -0.07226 -0.08395 0.42501  108 ARG A NE  
747  C CZ  . ARG A 99  ? 0.51362 0.98241 0.69752 -0.06417 -0.08138 0.42858  108 ARG A CZ  
748  N NH1 . ARG A 99  ? 0.47063 0.93373 0.65454 -0.06763 -0.08483 0.41436  108 ARG A NH1 
749  N NH2 . ARG A 99  ? 0.50602 0.96976 0.72344 -0.05167 -0.07424 0.44683  108 ARG A NH2 
750  N N   . GLY A 100 ? 0.52631 0.97552 0.58210 -0.07802 -0.04454 0.40517  109 GLY A N   
751  C CA  . GLY A 100 ? 0.54804 0.97578 0.62163 -0.07335 -0.03176 0.40949  109 GLY A CA  
752  C C   . GLY A 100 ? 0.53508 0.92598 0.63200 -0.06854 -0.02700 0.39607  109 GLY A C   
753  O O   . GLY A 100 ? 0.46337 0.83227 0.58046 -0.06489 -0.01871 0.40083  109 GLY A O   
754  N N   . PHE A 101 ? 0.51407 0.89623 0.60787 -0.06891 -0.03239 0.37951  110 PHE A N   
755  C CA  . PHE A 101 ? 0.48382 0.82878 0.59628 -0.06331 -0.02764 0.36619  110 PHE A CA  
756  C C   . PHE A 101 ? 0.49893 0.82943 0.59336 -0.06772 -0.02015 0.34655  110 PHE A C   
757  O O   . PHE A 101 ? 0.48782 0.78620 0.59876 -0.06391 -0.01394 0.33941  110 PHE A O   
758  C CB  . PHE A 101 ? 0.50322 0.84469 0.62259 -0.06071 -0.03511 0.35909  110 PHE A CB  
759  C CG  . PHE A 101 ? 0.49429 0.84769 0.63956 -0.05451 -0.04015 0.37867  110 PHE A CG  
760  C CD1 . PHE A 101 ? 0.52913 0.87858 0.69604 -0.04806 -0.03571 0.39754  110 PHE A CD1 
761  C CD2 . PHE A 101 ? 0.49137 0.86064 0.64076 -0.05558 -0.04897 0.37909  110 PHE A CD2 
762  C CE1 . PHE A 101 ? 0.50395 0.86490 0.69468 -0.04153 -0.03900 0.41593  110 PHE A CE1 
763  C CE2 . PHE A 101 ? 0.48607 0.86939 0.66229 -0.04964 -0.05225 0.39848  110 PHE A CE2 
764  C CZ  . PHE A 101 ? 0.50991 0.88900 0.70605 -0.04199 -0.04680 0.41664  110 PHE A CZ  
765  N N   . ILE A 102 ? 0.54054 0.89334 0.60042 -0.07546 -0.02037 0.33672  111 ILE A N   
766  C CA  . ILE A 102 ? 0.53778 0.88190 0.57986 -0.07900 -0.01135 0.31839  111 ILE A CA  
767  C C   . ILE A 102 ? 0.52944 0.90154 0.54442 -0.08331 -0.00550 0.32138  111 ILE A C   
768  O O   . ILE A 102 ? 0.53553 0.93331 0.53341 -0.08533 -0.01143 0.33101  111 ILE A O   
769  C CB  . ILE A 102 ? 0.51609 0.85211 0.53747 -0.08205 -0.01514 0.29476  111 ILE A CB  
770  C CG1 . ILE A 102 ? 0.56493 0.92852 0.55286 -0.08834 -0.02549 0.28951  111 ILE A CG1 
771  C CG2 . ILE A 102 ? 0.48224 0.78949 0.52977 -0.07627 -0.01902 0.29253  111 ILE A CG2 
772  C CD1 . ILE A 102 ? 0.56849 0.94067 0.51417 -0.09342 -0.02084 0.26766  111 ILE A CD1 
773  N N   . GLU A 103 ? 0.53463 0.90180 0.54617 -0.08419 0.00679  0.31313  112 GLU A N   
774  C CA  . GLU A 103 ? 0.53637 0.92803 0.52097 -0.08616 0.01616  0.31255  112 GLU A CA  
775  C C   . GLU A 103 ? 0.53938 0.92737 0.50183 -0.08718 0.02477  0.28677  112 GLU A C   
776  O O   . GLU A 103 ? 0.55836 0.92422 0.53974 -0.08678 0.02802  0.27653  112 GLU A O   
777  C CB  . GLU A 103 ? 0.58175 0.97683 0.59096 -0.08487 0.02589  0.33325  112 GLU A CB  
778  N N   . ARG A 104 ? 0.59326 1.00114 0.51441 -0.08760 0.02857  0.27522  113 ARG A N   
779  C CA  . ARG A 104 ? 0.56771 0.97341 0.46363 -0.08621 0.03827  0.24875  113 ARG A CA  
780  C C   . ARG A 104 ? 0.57300 0.99132 0.47636 -0.08263 0.05676  0.25490  113 ARG A C   
781  O O   . ARG A 104 ? 0.56711 1.00573 0.44819 -0.08040 0.06328  0.26207  113 ARG A O   
782  C CB  . ARG A 104 ? 0.62347 1.03649 0.46838 -0.08709 0.03137  0.22822  113 ARG A CB  
783  C CG  . ARG A 104 ? 0.65701 1.05259 0.49421 -0.09115 0.01656  0.21030  113 ARG A CG  
784  C CD  . ARG A 104 ? 0.66908 1.06474 0.45552 -0.09254 0.01019  0.18360  113 ARG A CD  
785  N NE  . ARG A 104 ? 0.61821 0.99405 0.39914 -0.09690 -0.00240 0.16293  113 ARG A NE  
786  N N   . VAL A 105 ? 0.53969 0.94607 0.47557 -0.08221 0.06502  0.25267  114 VAL A N   
787  C CA  . VAL A 105 ? 0.54400 0.96306 0.49637 -0.07976 0.08188  0.25903  114 VAL A CA  
788  C C   . VAL A 105 ? 0.52878 0.95285 0.45792 -0.07433 0.09400  0.23224  114 VAL A C   
789  O O   . VAL A 105 ? 0.51235 0.92217 0.42611 -0.07372 0.08893  0.20899  114 VAL A O   
790  C CB  . VAL A 105 ? 0.51880 0.92150 0.52547 -0.08342 0.08151  0.27340  114 VAL A CB  
791  C CG1 . VAL A 105 ? 0.53420 0.92646 0.56097 -0.08617 0.06940  0.29652  114 VAL A CG1 
792  C CG2 . VAL A 105 ? 0.46942 0.84841 0.49119 -0.08449 0.07796  0.25448  114 VAL A CG2 
793  N N   . GLN A 106 ? 0.51425 0.95821 0.44112 -0.06927 0.11084  0.23541  115 GLN A N   
794  C CA  . GLN A 106 ? 0.55554 1.00498 0.46189 -0.06081 0.12464  0.21051  115 GLN A CA  
795  C C   . GLN A 106 ? 0.52317 0.96494 0.47178 -0.06104 0.12908  0.20373  115 GLN A C   
796  O O   . GLN A 106 ? 0.49382 0.93636 0.49005 -0.06638 0.12970  0.22337  115 GLN A O   
797  C CB  . GLN A 106 ? 0.53945 1.01302 0.43021 -0.05362 0.14261  0.21776  115 GLN A CB  
798  C CG  . GLN A 106 ? 0.57544 1.05478 0.45653 -0.04239 0.16005  0.19562  115 GLN A CG  
799  C CD  . GLN A 106 ? 0.66271 1.16218 0.51653 -0.03335 0.17814  0.19978  115 GLN A CD  
800  O OE1 . GLN A 106 ? 0.62847 1.14573 0.50883 -0.02843 0.19541  0.20827  115 GLN A OE1 
801  N NE2 . GLN A 106 ? 0.69765 1.19399 0.49845 -0.03130 0.17391  0.19397  115 GLN A NE2 
802  N N   . ASN A 107 ? 0.55101 0.98313 0.48204 -0.05541 0.13055  0.17481  116 ASN A N   
803  C CA  . ASN A 107 ? 0.55364 0.97773 0.52323 -0.05337 0.13361  0.16434  116 ASN A CA  
804  C C   . ASN A 107 ? 0.52468 0.97645 0.51967 -0.04782 0.15286  0.17385  116 ASN A C   
805  O O   . ASN A 107 ? 0.56635 1.03217 0.53074 -0.03727 0.16679  0.16485  116 ASN A O   
806  C CB  . ASN A 107 ? 0.53138 0.92580 0.47392 -0.04446 0.12681  0.12502  116 ASN A CB  
807  C CG  . ASN A 107 ? 0.54463 0.91306 0.52703 -0.04225 0.11958  0.11093  116 ASN A CG  
808  O OD1 . ASN A 107 ? 0.53592 0.91577 0.56381 -0.04460 0.12420  0.12557  116 ASN A OD1 
809  N ND2 . ASN A 107 ? 0.53011 0.86337 0.49527 -0.03838 0.10729  0.08310  116 ASN A ND2 
810  N N   . GLU A 108 ? 0.50660 0.96008 0.55835 -0.05467 0.15133  0.19060  117 GLU A N   
811  C CA  . GLU A 108 ? 0.50299 0.98023 0.58613 -0.05081 0.16616  0.20033  117 GLU A CA  
812  C C   . GLU A 108 ? 0.54033 1.02632 0.62279 -0.03757 0.17772  0.17562  117 GLU A C   
813  O O   . GLU A 108 ? 0.48904 0.99786 0.57941 -0.02910 0.19422  0.17840  117 GLU A O   
814  C CB  . GLU A 108 ? 0.45327 0.92469 0.59705 -0.06329 0.15706  0.22212  117 GLU A CB  
815  N N   . LEU A 109 ? 0.52628 0.98453 0.59855 -0.03377 0.16625  0.14852  118 LEU A N   
816  C CA  . LEU A 109 ? 0.50827 0.96165 0.57614 -0.01872 0.17243  0.12041  118 LEU A CA  
817  C C   . LEU A 109 ? 0.51954 0.97134 0.52401 -0.00508 0.18316  0.09707  118 LEU A C   
818  O O   . LEU A 109 ? 0.48817 0.93833 0.48427 0.01006  0.19256  0.07494  118 LEU A O   
819  C CB  . LEU A 109 ? 0.54283 0.95240 0.62719 -0.01976 0.15049  0.09901  118 LEU A CB  
820  C CG  . LEU A 109 ? 0.53315 0.93217 0.67177 -0.03338 0.13521  0.11662  118 LEU A CG  
821  C CD1 . LEU A 109 ? 0.49686 0.85146 0.64166 -0.03113 0.11535  0.09253  118 LEU A CD1 
822  C CD2 . LEU A 109 ? 0.44324 0.88110 0.63442 -0.03608 0.14707  0.13865  118 LEU A CD2 
823  N N   . ASP A 110 ? 0.53519 0.98583 0.49460 -0.00991 0.18082  0.10126  119 ASP A N   
824  C CA  . ASP A 110 ? 0.57326 1.01447 0.46901 0.00093  0.18661  0.07823  119 ASP A CA  
825  C C   . ASP A 110 ? 0.60691 1.05316 0.47192 -0.00668 0.18310  0.09566  119 ASP A C   
826  O O   . ASP A 110 ? 0.62080 1.05679 0.47928 -0.01875 0.16625  0.10343  119 ASP A O   
827  C CB  . ASP A 110 ? 0.57746 0.97840 0.44396 0.00284  0.17060  0.04548  119 ASP A CB  
828  C CG  . ASP A 110 ? 0.62521 1.00801 0.42821 0.01253  0.17364  0.01967  119 ASP A CG  
829  O OD1 . ASP A 110 ? 0.68822 1.08189 0.47417 0.02197  0.18945  0.02186  119 ASP A OD1 
830  O OD2 . ASP A 110 ? 0.64512 0.99517 0.41775 0.00970  0.15799  -0.00273 119 ASP A OD2 
831  N N   . ALA A 111 ? 0.61242 1.07459 0.45900 0.00123  0.19911  0.10201  120 ALA A N   
832  C CA  . ALA A 111 ? 0.64184 1.11229 0.46152 -0.00474 0.19699  0.12052  120 ALA A CA  
833  C C   . ALA A 111 ? 0.69046 1.13535 0.45291 -0.00704 0.18106  0.10132  120 ALA A C   
834  O O   . ALA A 111 ? 0.70888 1.15578 0.46078 -0.01722 0.16824  0.11724  120 ALA A O   
835  C CB  . ALA A 111 ? 0.65962 1.15146 0.46821 0.00565  0.21947  0.12895  120 ALA A CB  
836  N N   . ARG A 112 ? 0.71497 1.13366 0.44255 0.00203  0.18023  0.06753  121 ARG A N   
837  C CA  . ARG A 112 ? 0.72525 1.11439 0.40133 -0.00149 0.16286  0.04680  121 ARG A CA  
838  C C   . ARG A 112 ? 0.74371 1.11590 0.43421 -0.01322 0.14056  0.04117  121 ARG A C   
839  O O   . ARG A 112 ? 0.80203 1.14525 0.45802 -0.01598 0.12513  0.01918  121 ARG A O   
840  C CB  . ARG A 112 ? 0.77909 1.13910 0.41230 0.01236  0.17047  0.01327  121 ARG A CB  
841  C CG  . ARG A 112 ? 0.85756 1.22422 0.45175 0.02162  0.18743  0.01536  121 ARG A CG  
842  C CD  . ARG A 112 ? 0.90807 1.25194 0.47877 0.03818  0.20348  -0.01187 121 ARG A CD  
843  N NE  . ARG A 112 ? 0.93657 1.23172 0.46816 0.03810  0.18809  -0.04402 121 ARG A NE  
844  C CZ  . ARG A 112 ? 0.95440 1.21910 0.42520 0.03966  0.18475  -0.06091 121 ARG A CZ  
845  N NH1 . ARG A 112 ? 1.04976 1.32803 0.48687 0.04245  0.19621  -0.05065 121 ARG A NH1 
846  N NH2 . ARG A 112 ? 0.94948 1.16676 0.39194 0.03788  0.16927  -0.08814 121 ARG A NH2 
847  N N   . SER A 113 ? 0.71611 1.10318 0.45734 -0.02071 0.13846  0.06113  122 SER A N   
848  C CA  . SER A 113 ? 0.69096 1.06344 0.44761 -0.03194 0.11961  0.06025  122 SER A CA  
849  C C   . SER A 113 ? 0.64168 1.03127 0.42685 -0.04421 0.11189  0.09577  122 SER A C   
850  O O   . SER A 113 ? 0.64249 1.05473 0.45114 -0.04404 0.12266  0.12101  122 SER A O   
851  C CB  . SER A 113 ? 0.58781 0.94364 0.38341 -0.02779 0.12057  0.04728  122 SER A CB  
852  N N   . THR A 114 ? 0.62518 1.00024 0.41076 -0.05420 0.09261  0.09775  123 THR A N   
853  C CA  . THR A 114 ? 0.58724 0.97209 0.39902 -0.06409 0.08333  0.13021  123 THR A CA  
854  C C   . THR A 114 ? 0.51141 0.86683 0.36787 -0.06750 0.07085  0.12986  123 THR A C   
855  O O   . THR A 114 ? 0.57835 0.90417 0.43316 -0.06472 0.06324  0.10345  123 THR A O   
856  C CB  . THR A 114 ? 0.59701 0.98200 0.37614 -0.06936 0.06729  0.13331  123 THR A CB  
857  N N   . LEU A 115 ? 0.53628 0.89757 0.43085 -0.07280 0.06932  0.15960  124 LEU A N   
858  C CA  . LEU A 115 ? 0.49397 0.82574 0.42771 -0.07499 0.05808  0.16220  124 LEU A CA  
859  C C   . LEU A 115 ? 0.51422 0.84968 0.45501 -0.08129 0.04687  0.18868  124 LEU A C   
860  O O   . LEU A 115 ? 0.54704 0.91114 0.47585 -0.08483 0.04990  0.21285  124 LEU A O   
861  C CB  . LEU A 115 ? 0.46277 0.79003 0.44167 -0.07427 0.06612  0.17119  124 LEU A CB  
862  C CG  . LEU A 115 ? 0.48471 0.81153 0.46617 -0.06706 0.07681  0.14851  124 LEU A CG  
863  C CD1 . LEU A 115 ? 0.41460 0.74024 0.44550 -0.06915 0.08103  0.16122  124 LEU A CD1 
864  C CD2 . LEU A 115 ? 0.43367 0.72818 0.39921 -0.06113 0.06816  0.11440  124 LEU A CD2 
865  N N   . VAL A 116 ? 0.46946 0.77613 0.42930 -0.08124 0.03467  0.18491  125 VAL A N   
866  C CA  . VAL A 116 ? 0.50808 0.81553 0.47899 -0.08453 0.02415  0.20891  125 VAL A CA  
867  C C   . VAL A 116 ? 0.46272 0.75242 0.47758 -0.08385 0.02587  0.22846  125 VAL A C   
868  O O   . VAL A 116 ? 0.39178 0.64928 0.42694 -0.08010 0.02428  0.21362  125 VAL A O   
869  C CB  . VAL A 116 ? 0.45763 0.74700 0.41909 -0.08386 0.01053  0.19303  125 VAL A CB  
870  C CG1 . VAL A 116 ? 0.49851 0.79344 0.47555 -0.08550 0.00079  0.22038  125 VAL A CG1 
871  C CG2 . VAL A 116 ? 0.49984 0.80141 0.41731 -0.08646 0.00692  0.17121  125 VAL A CG2 
872  N N   . GLN A 117 ? 0.46921 0.77350 0.49774 -0.08556 0.02692  0.25691  126 GLN A N   
873  C CA  . GLN A 117 ? 0.51488 0.79689 0.58329 -0.08379 0.02642  0.27167  126 GLN A CA  
874  C C   . GLN A 117 ? 0.49578 0.77047 0.57582 -0.07956 0.01619  0.28772  126 GLN A C   
875  O O   . GLN A 117 ? 0.48796 0.78813 0.55561 -0.07973 0.01293  0.30017  126 GLN A O   
876  C CB  . GLN A 117 ? 0.49333 0.79115 0.57461 -0.08604 0.03586  0.28425  126 GLN A CB  
877  C CG  . GLN A 117 ? 0.55470 0.83101 0.67314 -0.08552 0.03285  0.30162  126 GLN A CG  
878  C CD  . GLN A 117 ? 0.49388 0.76462 0.63749 -0.08997 0.04006  0.30176  126 GLN A CD  
879  O OE1 . GLN A 117 ? 0.59475 0.89179 0.73814 -0.09259 0.04923  0.31049  126 GLN A OE1 
880  N NE2 . GLN A 117 ? 0.44374 0.68010 0.60980 -0.09077 0.03546  0.29219  126 GLN A NE2 
881  N N   . LEU A 118 ? 0.46121 0.70122 0.56488 -0.07484 0.01169  0.28670  127 LEU A N   
882  C CA  . LEU A 118 ? 0.46734 0.69843 0.58716 -0.06822 0.00471  0.30095  127 LEU A CA  
883  C C   . LEU A 118 ? 0.50584 0.74351 0.64387 -0.06849 0.00713  0.32168  127 LEU A C   
884  O O   . LEU A 118 ? 0.48214 0.70247 0.63823 -0.07065 0.01147  0.32292  127 LEU A O   
885  C CB  . LEU A 118 ? 0.45407 0.64274 0.59115 -0.06095 0.00224  0.29141  127 LEU A CB  
886  C CG  . LEU A 118 ? 0.49837 0.67292 0.65286 -0.05109 -0.00209 0.30149  127 LEU A CG  
887  C CD1 . LEU A 118 ? 0.50439 0.70722 0.64819 -0.04968 -0.00802 0.30674  127 LEU A CD1 
888  C CD2 . LEU A 118 ? 0.46506 0.59362 0.63004 -0.04292 -0.00153 0.28710  127 LEU A CD2 
889  N N   . THR A 119 ? 0.50476 0.76791 0.63907 -0.06723 0.00359  0.33862  128 THR A N   
890  C CA  . THR A 119 ? 0.50882 0.77860 0.65975 -0.06734 0.00614  0.36024  128 THR A CA  
891  C C   . THR A 119 ? 0.52604 0.76092 0.70674 -0.06063 0.00416  0.36630  128 THR A C   
892  O O   . THR A 119 ? 0.50230 0.71078 0.68853 -0.05433 0.00113  0.35452  128 THR A O   
893  C CB  . THR A 119 ? 0.52198 0.82881 0.65922 -0.06770 0.00260  0.37706  128 THR A CB  
894  O OG1 . THR A 119 ? 0.52741 0.83273 0.67257 -0.06158 -0.00577 0.38151  128 THR A OG1 
895  C CG2 . THR A 119 ? 0.53373 0.87093 0.63436 -0.07355 0.00369  0.36690  128 THR A CG2 
896  N N   . SER A 120 ? 0.67994 0.64612 0.82383 -0.13877 0.05602  0.38826  129 SER A N   
897  C CA  . SER A 120 ? 0.67194 0.62658 0.86740 -0.13159 0.03467  0.39536  129 SER A CA  
898  C C   . SER A 120 ? 0.67331 0.61986 0.87168 -0.12456 0.01498  0.40116  129 SER A C   
899  O O   . SER A 120 ? 0.65689 0.59092 0.89833 -0.11375 0.00106  0.39651  129 SER A O   
900  C CB  . SER A 120 ? 0.70759 0.66477 0.92581 -0.14490 0.03226  0.41837  129 SER A CB  
901  O OG  . SER A 120 ? 0.70283 0.64588 0.97476 -0.13858 0.01493  0.42199  129 SER A OG  
902  N N   . SER A 121 ? 0.69572 0.65007 0.85101 -0.13164 0.01454  0.41045  130 SER A N   
903  C CA  . SER A 121 ? 0.69544 0.64751 0.85602 -0.12519 -0.00465 0.41669  130 SER A CA  
904  C C   . SER A 121 ? 0.65208 0.59695 0.80947 -0.10905 -0.00366 0.39007  130 SER A C   
905  O O   . SER A 121 ? 0.63413 0.57030 0.82755 -0.09678 -0.01765 0.38570  130 SER A O   
906  C CB  . SER A 121 ? 0.73638 0.70281 0.85086 -0.14075 -0.00694 0.43570  130 SER A CB  
907  N N   . GLY A 122 ? 0.64915 0.59732 0.76566 -0.10931 0.01443  0.37174  131 GLY A N   
908  C CA  . GLY A 122 ? 0.64098 0.58311 0.75376 -0.09502 0.01593  0.34769  131 GLY A CA  
909  C C   . GLY A 122 ? 0.59122 0.52370 0.75018 -0.08231 0.01359  0.33222  131 GLY A C   
910  O O   . GLY A 122 ? 0.62017 0.54526 0.79076 -0.07003 0.00752  0.31677  131 GLY A O   
911  N N   . LEU A 123 ? 0.60936 0.54242 0.79418 -0.08685 0.01859  0.33580  132 LEU A N   
912  C CA  . LEU A 123 ? 0.58733 0.51178 0.81492 -0.07870 0.01569  0.32109  132 LEU A CA  
913  C C   . LEU A 123 ? 0.55688 0.46600 0.82538 -0.07264 -0.00127 0.32249  132 LEU A C   
914  O O   . LEU A 123 ? 0.59046 0.48879 0.87939 -0.06311 -0.00467 0.30314  132 LEU A O   
915  C CB  . LEU A 123 ? 0.55535 0.48634 0.80158 -0.08756 0.02422  0.32648  132 LEU A CB  
916  C CG  . LEU A 123 ? 0.53108 0.45463 0.82086 -0.08426 0.02029  0.31297  132 LEU A CG  
917  C CD1 . LEU A 123 ? 0.49494 0.41960 0.77874 -0.07459 0.02384  0.29014  132 LEU A CD1 
918  C CD2 . LEU A 123 ? 0.54279 0.47705 0.84970 -0.09507 0.02815  0.32143  132 LEU A CD2 
919  N N   . GLU A 124 ? 0.59056 0.49863 0.87365 -0.07879 -0.01096 0.34521  133 GLU A N   
920  C CA  . GLU A 124 ? 0.58564 0.47975 0.91461 -0.07225 -0.02519 0.34785  133 GLU A CA  
921  C C   . GLU A 124 ? 0.58882 0.48235 0.91118 -0.06169 -0.03204 0.34078  133 GLU A C   
922  O O   . GLU A 124 ? 0.56388 0.44408 0.92369 -0.05196 -0.03746 0.32848  133 GLU A O   
923  C CB  . GLU A 124 ? 0.64142 0.53776 0.99109 -0.08168 -0.03453 0.37807  133 GLU A CB  
924  C CG  . GLU A 124 ? 0.68213 0.56359 1.09002 -0.07501 -0.04730 0.38270  133 GLU A CG  
925  N N   . LEU A 125 ? 0.61700 0.52443 0.89247 -0.06460 -0.03055 0.34700  134 LEU A N   
926  C CA  . LEU A 125 ? 0.59993 0.50914 0.86755 -0.05605 -0.03740 0.34106  134 LEU A CA  
927  C C   . LEU A 125 ? 0.54233 0.44285 0.80646 -0.04463 -0.02983 0.31062  134 LEU A C   
928  O O   . LEU A 125 ? 0.55878 0.45124 0.84936 -0.03437 -0.03550 0.29937  134 LEU A O   
929  C CB  . LEU A 125 ? 0.62741 0.55311 0.84179 -0.06537 -0.03737 0.35422  134 LEU A CB  
930  C CG  . LEU A 125 ? 0.58349 0.51388 0.78320 -0.05885 -0.04407 0.34806  134 LEU A CG  
931  C CD1 . LEU A 125 ? 0.61775 0.54797 0.86982 -0.05244 -0.06110 0.36046  134 LEU A CD1 
932  C CD2 . LEU A 125 ? 0.61911 0.56468 0.76075 -0.07178 -0.04221 0.35808  134 LEU A CD2 
933  N N   . ILE A 126 ? 0.58109 0.48440 0.81593 -0.04681 -0.01641 0.29778  135 ILE A N   
934  C CA  . ILE A 126 ? 0.54015 0.43873 0.76802 -0.03765 -0.01039 0.27241  135 ILE A CA  
935  C C   . ILE A 126 ? 0.49684 0.38039 0.76988 -0.03275 -0.01249 0.25619  135 ILE A C   
936  O O   . ILE A 126 ? 0.46474 0.34098 0.74264 -0.02500 -0.01206 0.23604  135 ILE A O   
937  C CB  . ILE A 126 ? 0.56259 0.47097 0.75331 -0.04143 0.00469  0.26587  135 ILE A CB  
938  C CG1 . ILE A 126 ? 0.51883 0.42562 0.69557 -0.03225 0.00899  0.24465  135 ILE A CG1 
939  C CG2 . ILE A 126 ? 0.49959 0.40982 0.71180 -0.04725 0.01142  0.26662  135 ILE A CG2 
940  C CD1 . ILE A 126 ? 0.49694 0.40232 0.65666 -0.02644 0.00184  0.24254  135 ILE A CD1 
941  N N   . ASN A 127 ? 0.51323 0.39075 0.81867 -0.03890 -0.01429 0.26358  136 ASN A N   
942  C CA  . ASN A 127 ? 0.48545 0.34536 0.83279 -0.03729 -0.01570 0.24577  136 ASN A CA  
943  C C   . ASN A 127 ? 0.53870 0.38522 0.91893 -0.02862 -0.02266 0.23980  136 ASN A C   
944  O O   . ASN A 127 ? 0.53377 0.36541 0.93560 -0.02455 -0.02027 0.21518  136 ASN A O   
945  C CB  . ASN A 127 ? 0.55848 0.41443 0.93201 -0.04760 -0.01556 0.25517  136 ASN A CB  
946  C CG  . ASN A 127 ? 0.53357 0.40071 0.89151 -0.05545 -0.00717 0.25148  136 ASN A CG  
947  O OD1 . ASN A 127 ? 0.47533 0.34429 0.82413 -0.05375 -0.00323 0.23339  136 ASN A OD1 
948  N ND2 . ASN A 127 ? 0.56973 0.44654 0.92754 -0.06470 -0.00450 0.27017  136 ASN A ND2 
949  N N   . ARG A 128 ? 0.53082 0.38377 0.91733 -0.02692 -0.03064 0.26178  137 ARG A N   
950  C CA  . ARG A 128 ? 0.52030 0.36560 0.94413 -0.01770 -0.03666 0.25890  137 ARG A CA  
951  C C   . ARG A 128 ? 0.48996 0.34179 0.88980 -0.00905 -0.03611 0.24694  137 ARG A C   
952  O O   . ARG A 128 ? 0.50623 0.34822 0.93471 -0.00034 -0.03465 0.22882  137 ARG A O   
953  C CB  . ARG A 128 ? 0.58133 0.43479 1.02788 -0.02057 -0.04773 0.29104  137 ARG A CB  
954  C CG  . ARG A 128 ? 0.57246 0.41719 1.05171 -0.02835 -0.04918 0.30407  137 ARG A CG  
955  C CD  . ARG A 128 ? 0.68650 0.53916 1.19684 -0.03088 -0.06178 0.33736  137 ARG A CD  
956  N NE  . ARG A 128 ? 0.70040 0.57643 1.16584 -0.03945 -0.06843 0.36353  137 ARG A NE  
957  C CZ  . ARG A 128 ? 0.73769 0.62943 1.19390 -0.03788 -0.07777 0.37714  137 ARG A CZ  
958  N NH1 . ARG A 128 ? 0.70319 0.59179 1.19609 -0.02661 -0.08164 0.36955  137 ARG A NH1 
959  N NH2 . ARG A 128 ? 0.74096 0.65269 1.15061 -0.04938 -0.08260 0.39830  137 ARG A NH2 
960  N N   . ALA A 129 ? 0.50516 0.37290 0.85304 -0.01204 -0.03562 0.25529  138 ALA A N   
961  C CA  . ALA A 129 ? 0.50996 0.38415 0.83286 -0.00510 -0.03580 0.24599  138 ALA A CA  
962  C C   . ALA A 129 ? 0.48168 0.34519 0.80055 0.00059  -0.02692 0.21541  138 ALA A C   
963  O O   . ALA A 129 ? 0.45829 0.31904 0.78506 0.00896  -0.02699 0.20126  138 ALA A O   
964  C CB  . ALA A 129 ? 0.55405 0.44518 0.82064 -0.01195 -0.03555 0.26013  138 ALA A CB  
965  N N   . VAL A 130 ? 0.48971 0.34903 0.79846 -0.00504 -0.01962 0.20600  139 VAL A N   
966  C CA  . VAL A 130 ? 0.44203 0.29370 0.74600 -0.00285 -0.01311 0.17980  139 VAL A CA  
967  C C   . VAL A 130 ? 0.42074 0.25354 0.76918 0.00036  -0.01212 0.15698  139 VAL A C   
968  O O   . VAL A 130 ? 0.42688 0.25327 0.77386 0.00385  -0.00783 0.13310  139 VAL A O   
969  C CB  . VAL A 130 ? 0.42636 0.28222 0.71541 -0.01180 -0.00717 0.17890  139 VAL A CB  
970  C CG1 . VAL A 130 ? 0.51696 0.36327 0.84148 -0.02019 -0.00819 0.18018  139 VAL A CG1 
971  C CG2 . VAL A 130 ? 0.43029 0.28384 0.70829 -0.01158 -0.00270 0.15775  139 VAL A CG2 
972  N N   . GLU A 131 ? 0.45185 0.27505 0.84073 -0.00152 -0.01441 0.16203  140 GLU A N   
973  C CA  . GLU A 131 ? 0.45306 0.25724 0.88617 0.00100  -0.00973 0.13686  140 GLU A CA  
974  C C   . GLU A 131 ? 0.45105 0.25804 0.89946 0.01313  -0.00953 0.13101  140 GLU A C   
975  O O   . GLU A 131 ? 0.44886 0.24684 0.90779 0.01623  -0.00107 0.10053  140 GLU A O   
976  C CB  . GLU A 131 ? 0.50523 0.29845 0.98030 -0.00349 -0.01140 0.14614  140 GLU A CB  
977  C CG  . GLU A 131 ? 0.48970 0.27824 0.95774 -0.01698 -0.01035 0.14658  140 GLU A CG  
978  C CD  . GLU A 131 ? 0.54038 0.32075 1.04517 -0.02146 -0.01362 0.16299  140 GLU A CD  
979  O OE1 . GLU A 131 ? 0.54119 0.32486 1.07037 -0.01450 -0.01902 0.18282  140 GLU A OE1 
980  O OE2 . GLU A 131 ? 0.55375 0.32542 1.06495 -0.03326 -0.01169 0.15743  140 GLU A OE2 
981  N N   . ALA A 132 ? 0.45462 0.27616 0.90465 0.01800  -0.01855 0.15952  141 ALA A N   
982  C CA  . ALA A 132 ? 0.45278 0.28142 0.92034 0.02820  -0.02017 0.15845  141 ALA A CA  
983  C C   . ALA A 132 ? 0.42459 0.26151 0.84957 0.03186  -0.01789 0.14634  141 ALA A C   
984  O O   . ALA A 132 ? 0.42022 0.25731 0.86166 0.03973  -0.01342 0.12933  141 ALA A O   
985  C CB  . ALA A 132 ? 0.46729 0.31203 0.94660 0.02846  -0.03316 0.19507  141 ALA A CB  
986  N N   . HIS A 133 ? 0.42505 0.26957 0.79806 0.02617  -0.01949 0.15461  142 HIS A N   
987  C CA  . HIS A 133 ? 0.44374 0.29504 0.77682 0.02920  -0.01701 0.14473  142 HIS A CA  
988  C C   . HIS A 133 ? 0.44452 0.28204 0.78604 0.03045  -0.00673 0.10934  142 HIS A C   
989  O O   . HIS A 133 ? 0.40973 0.24995 0.74581 0.03674  -0.00340 0.09411  142 HIS A O   
990  C CB  . HIS A 133 ? 0.41582 0.27711 0.69720 0.02193  -0.01760 0.15978  142 HIS A CB  
991  C CG  . HIS A 133 ? 0.43137 0.29664 0.67443 0.02382  -0.01283 0.14844  142 HIS A CG  
992  N ND1 . HIS A 133 ? 0.41296 0.28727 0.63805 0.02942  -0.01560 0.14996  142 HIS A ND1 
993  C CD2 . HIS A 133 ? 0.44890 0.31224 0.67069 0.01995  -0.00608 0.13764  142 HIS A CD2 
994  C CE1 . HIS A 133 ? 0.45670 0.33638 0.64540 0.02872  -0.00948 0.13616  142 HIS A CE1 
995  N NE2 . HIS A 133 ? 0.42935 0.30634 0.61335 0.02291  -0.00377 0.12691  142 HIS A NE2 
996  N N   . ILE A 134 ? 0.38800 0.21165 0.74229 0.02213  -0.00164 0.09478  143 ILE A N   
997  C CA  . ILE A 134 ? 0.38411 0.19494 0.74268 0.01689  0.00799  0.05760  143 ILE A CA  
998  C C   . ILE A 134 ? 0.44357 0.24817 0.83884 0.02310  0.01665  0.03127  143 ILE A C   
999  O O   . ILE A 134 ? 0.44616 0.25329 0.83120 0.02358  0.02491  0.00315  143 ILE A O   
1000 C CB  . ILE A 134 ? 0.48140 0.28183 0.84559 0.00161  0.00961  0.04879  143 ILE A CB  
1001 C CG1 . ILE A 134 ? 0.45996 0.28062 0.77923 -0.00509 0.00456  0.06662  143 ILE A CG1 
1002 C CG2 . ILE A 134 ? 0.50365 0.29962 0.86891 -0.00980 0.01921  0.00442  143 ILE A CG2 
1003 C CD1 . ILE A 134 ? 0.44962 0.26600 0.77932 -0.02024 0.00362  0.06645  143 ILE A CD1 
1004 N N   . GLU A 135 ? 0.43288 0.23327 0.87105 0.02690  0.01628  0.03970  144 GLU A N   
1005 C CA  . GLU A 135 ? 0.43898 0.23602 0.91960 0.03343  0.02681  0.01749  144 GLU A CA  
1006 C C   . GLU A 135 ? 0.43095 0.24489 0.90848 0.04524  0.02481  0.02433  144 GLU A C   
1007 O O   . GLU A 135 ? 0.43588 0.25158 0.92818 0.04848  0.03731  -0.00435 144 GLU A O   
1008 C CB  . GLU A 135 ? 0.46776 0.25781 1.00079 0.03570  0.02537  0.03219  144 GLU A CB  
1009 N N   . ASN A 136 ? 0.43659 0.26522 0.89245 0.04948  0.01004  0.06094  145 ASN A N   
1010 C CA  . ASN A 136 ? 0.42946 0.27550 0.87912 0.05822  0.00584  0.06967  145 ASN A CA  
1011 C C   . ASN A 136 ? 0.42812 0.27618 0.84214 0.05863  0.01366  0.04371  145 ASN A C   
1012 O O   . ASN A 136 ? 0.41542 0.27221 0.84260 0.06508  0.02063  0.02715  145 ASN A O   
1013 C CB  . ASN A 136 ? 0.42099 0.28263 0.84433 0.05706  -0.01130 0.11137  145 ASN A CB  
1014 C CG  . ASN A 136 ? 0.41652 0.29738 0.83294 0.06313  -0.01799 0.12262  145 ASN A CG  
1015 O OD1 . ASN A 136 ? 0.38098 0.26673 0.83742 0.07060  -0.01320 0.11172  145 ASN A OD1 
1016 N ND2 . ASN A 136 ? 0.36372 0.25662 0.72974 0.05851  -0.02791 0.14364  145 ASN A ND2 
1017 N N   . GLU A 137 ? 0.39967 0.24293 0.76968 0.05054  0.01310  0.04028  146 GLU A N   
1018 C CA  . GLU A 137 ? 0.43369 0.29440 0.75124 0.04399  0.01883  0.01578  146 GLU A CA  
1019 C C   . GLU A 137 ? 0.39636 0.25280 0.72816 0.03827  0.03474  -0.02781 146 GLU A C   
1020 O O   . GLU A 137 ? 0.40853 0.28124 0.71543 0.03616  0.04109  -0.04756 146 GLU A O   
1021 C CB  . GLU A 137 ? 0.40087 0.26747 0.66707 0.03323  0.01430  0.02316  146 GLU A CB  
1022 C CG  . GLU A 137 ? 0.39577 0.27041 0.63452 0.03616  0.00411  0.05870  146 GLU A CG  
1023 C CD  . GLU A 137 ? 0.46914 0.35311 0.65966 0.02798  0.00445  0.06093  146 GLU A CD  
1024 O OE1 . GLU A 137 ? 0.47822 0.35798 0.67143 0.01967  0.00661  0.05241  146 GLU A OE1 
1025 O OE2 . GLU A 137 ? 0.40691 0.30258 0.56048 0.02928  0.00288  0.07127  146 GLU A OE2 
1026 N N   . ARG A 138 ? 0.40193 0.23660 0.77139 0.03320  0.04244  -0.04430 147 ARG A N   
1027 C CA  . ARG A 138 ? 0.45893 0.28765 0.84094 0.02411  0.06083  -0.09023 147 ARG A CA  
1028 C C   . ARG A 138 ? 0.42538 0.25933 0.84804 0.03665  0.07248  -0.10223 147 ARG A C   
1029 O O   . ARG A 138 ? 0.43345 0.27760 0.84310 0.03012  0.08753  -0.13672 147 ARG A O   
1030 C CB  . ARG A 138 ? 0.47418 0.27928 0.88654 0.01384  0.06669  -0.10430 147 ARG A CB  
1031 C CG  . ARG A 138 ? 0.50959 0.31443 0.91513 -0.00349 0.08532  -0.15315 147 ARG A CG  
1032 C CD  . ARG A 138 ? 0.55993 0.34754 0.98738 -0.01527 0.08908  -0.16306 147 ARG A CD  
1033 N NE  . ARG A 138 ? 0.66304 0.44169 1.07781 -0.02137 0.07274  -0.13716 147 ARG A NE  
1034 C CZ  . ARG A 138 ? 0.62115 0.40415 0.99369 -0.04151 0.06636  -0.14530 147 ARG A CZ  
1035 N NH1 . ARG A 138 ? 0.58948 0.39218 0.91666 -0.05833 0.07176  -0.17489 147 ARG A NH1 
1036 N NH2 . ARG A 138 ? 0.58986 0.37310 0.95599 -0.04495 0.05182  -0.11531 147 ARG A NH2 
1037 N N   . GLN A 139 ? 0.41173 0.24855 0.87621 0.05061  0.06415  -0.07058 148 GLN A N   
1038 C CA  . GLN A 139 ? 0.41980 0.26972 0.92425 0.06040  0.07217  -0.07501 148 GLN A CA  
1039 C C   . GLN A 139 ? 0.41002 0.28031 0.88680 0.06616  0.07049  -0.07467 148 GLN A C   
1040 O O   . GLN A 139 ? 0.41606 0.29924 0.90804 0.06757  0.08458  -0.09735 148 GLN A O   
1041 C CB  . GLN A 139 ? 0.43316 0.28400 0.98735 0.07044  0.05988  -0.03681 148 GLN A CB  
1042 C CG  . GLN A 139 ? 0.50701 0.33937 1.09734 0.06590  0.06266  -0.03622 148 GLN A CG  
1043 C CD  . GLN A 139 ? 0.60737 0.44384 1.24298 0.07355  0.04844  0.00510  148 GLN A CD  
1044 O OE1 . GLN A 139 ? 0.56755 0.39106 1.23606 0.07096  0.04813  0.01255  148 GLN A OE1 
1045 N NE2 . GLN A 139 ? 0.54058 0.39662 1.17763 0.08113  0.03594  0.03263  148 GLN A NE2 
1046 N N   . VAL A 140 ? 0.39480 0.26931 0.83196 0.06869  0.05451  -0.04884 149 VAL A N   
1047 C CA  . VAL A 140 ? 0.41662 0.31844 0.81223 0.06864  0.05016  -0.04469 149 VAL A CA  
1048 C C   . VAL A 140 ? 0.42057 0.33286 0.77373 0.05511  0.06523  -0.08430 149 VAL A C   
1049 O O   . VAL A 140 ? 0.39076 0.32020 0.74762 0.05636  0.07526  -0.10089 149 VAL A O   
1050 C CB  . VAL A 140 ? 0.41761 0.32755 0.76064 0.06581  0.03019  -0.00881 149 VAL A CB  
1051 C CG1 . VAL A 140 ? 0.41495 0.34886 0.71139 0.06282  0.02745  -0.00888 149 VAL A CG1 
1052 C CG2 . VAL A 140 ? 0.39465 0.29989 0.77468 0.07512  0.01466  0.03216  149 VAL A CG2 
1053 N N   . LEU A 141 ? 0.39136 0.29628 0.70495 0.04014  0.06626  -0.09792 150 LEU A N   
1054 C CA  . LEU A 141 ? 0.46063 0.37841 0.72884 0.02281  0.07672  -0.13024 150 LEU A CA  
1055 C C   . LEU A 141 ? 0.45790 0.36934 0.75796 0.01565  0.10055  -0.17431 150 LEU A C   
1056 O O   . LEU A 141 ? 0.48466 0.41112 0.74760 -0.00101 0.11143  -0.20295 150 LEU A O   
1057 C CB  . LEU A 141 ? 0.41060 0.32655 0.63107 0.00748  0.06714  -0.12570 150 LEU A CB  
1058 C CG  . LEU A 141 ? 0.43834 0.36025 0.62411 0.01200  0.04886  -0.08805 150 LEU A CG  
1059 C CD1 . LEU A 141 ? 0.39006 0.31036 0.54635 -0.00171 0.04203  -0.08451 150 LEU A CD1 
1060 C CD2 . LEU A 141 ? 0.40905 0.35180 0.55750 0.01277  0.04610  -0.08201 150 LEU A CD2 
1061 N N   . SER A 142 ? 0.46062 0.35008 0.82913 0.02644  0.11006  -0.18038 151 SER A N   
1062 C CA  . SER A 142 ? 0.45129 0.34041 0.84098 0.01509  0.13121  -0.21567 151 SER A CA  
1063 C C   . SER A 142 ? 0.45909 0.37184 0.85168 0.01435  0.14693  -0.23494 151 SER A C   
1064 O O   . SER A 142 ? 0.48514 0.40421 0.87176 -0.00214 0.16592  -0.26848 151 SER A O   
1065 C CB  . SER A 142 ? 0.48463 0.35575 0.94084 0.02518  0.13256  -0.20366 151 SER A CB  
1066 O OG  . SER A 142 ? 0.45457 0.33237 0.95765 0.04546  0.12530  -0.17385 151 SER A OG  
1067 N N   . VAL A 143 ? 0.47947 0.40695 0.88101 0.03010  0.13956  -0.21359 152 VAL A N   
1068 C CA  . VAL A 143 ? 0.44752 0.39845 0.85752 0.02951  0.15399  -0.22919 152 VAL A CA  
1069 C C   . VAL A 143 ? 0.49845 0.47010 0.83890 0.00907  0.16078  -0.25264 152 VAL A C   
1070 O O   . VAL A 143 ? 0.54104 0.53201 0.88074 0.00133  0.17599  -0.27158 152 VAL A O   
1071 C CB  . VAL A 143 ? 0.40429 0.36814 0.84894 0.05106  0.14209  -0.19633 152 VAL A CB  
1072 C CG1 . VAL A 143 ? 0.42180 0.37068 0.93431 0.06670  0.13310  -0.16821 152 VAL A CG1 
1073 C CG2 . VAL A 143 ? 0.41436 0.38620 0.81148 0.05451  0.12237  -0.17124 152 VAL A CG2 
1074 N N   . LEU A 144 ? 0.50284 0.47211 0.78470 -0.00179 0.14886  -0.24919 153 LEU A N   
1075 C CA  . LEU A 144 ? 0.53488 0.52708 0.74792 -0.02385 0.15048  -0.26295 153 LEU A CA  
1076 C C   . LEU A 144 ? 0.54066 0.53473 0.72555 -0.05129 0.16011  -0.29001 153 LEU A C   
1077 O O   . LEU A 144 ? 0.55357 0.52735 0.75412 -0.05482 0.16007  -0.29603 153 LEU A O   
1078 C CB  . LEU A 144 ? 0.51819 0.51506 0.67767 -0.02568 0.12436  -0.22840 153 LEU A CB  
1079 C CG  . LEU A 144 ? 0.48598 0.49006 0.64964 -0.00687 0.10821  -0.19067 153 LEU A CG  
1080 C CD1 . LEU A 144 ? 0.50545 0.51101 0.61573 -0.01158 0.08669  -0.16093 153 LEU A CD1 
1081 C CD2 . LEU A 144 ? 0.46637 0.49464 0.63155 -0.00684 0.11900  -0.20024 153 LEU A CD2 
1082 N N   . PRO A 145 ? 0.53391 0.55364 0.67823 -0.07227 0.16779  -0.30420 154 PRO A N   
1083 C CA  . PRO A 145 ? 0.58536 0.61206 0.69521 -0.10157 0.17392  -0.32482 154 PRO A CA  
1084 C C   . PRO A 145 ? 0.61955 0.64240 0.68365 -0.11382 0.15337  -0.31074 154 PRO A C   
1085 O O   . PRO A 145 ? 0.58818 0.61231 0.62901 -0.10620 0.13536  -0.28635 154 PRO A O   
1086 C CB  . PRO A 145 ? 0.59698 0.65475 0.67181 -0.11957 0.18137  -0.33188 154 PRO A CB  
1087 C CG  . PRO A 145 ? 0.60926 0.67184 0.72008 -0.09781 0.18712  -0.32535 154 PRO A CG  
1088 C CD  . PRO A 145 ? 0.59853 0.64302 0.73084 -0.07130 0.17142  -0.30035 154 PRO A CD  
1089 N N   . ALA A 146 ? 0.62782 0.64672 0.68086 -0.13417 0.15667  -0.32664 155 ALA A N   
1090 C CA  . ALA A 146 ? 0.60870 0.62570 0.62466 -0.14794 0.13613  -0.31288 155 ALA A CA  
1091 C C   . ALA A 146 ? 0.61124 0.65702 0.56835 -0.16317 0.11918  -0.29152 155 ALA A C   
1092 O O   . ALA A 146 ? 0.58036 0.62581 0.51713 -0.16185 0.09781  -0.26703 155 ALA A O   
1093 C CB  . ALA A 146 ? 0.67473 0.68703 0.68751 -0.17039 0.14355  -0.33475 155 ALA A CB  
1094 N N   . GLU A 147 ? 0.63328 0.70432 0.56740 -0.17813 0.12842  -0.29825 156 GLU A N   
1095 C CA  . GLU A 147 ? 0.64177 0.73969 0.52718 -0.19266 0.11212  -0.27334 156 GLU A CA  
1096 C C   . GLU A 147 ? 0.57450 0.67168 0.45934 -0.17104 0.10024  -0.24706 156 GLU A C   
1097 O O   . GLU A 147 ? 0.58161 0.69040 0.43528 -0.17621 0.08041  -0.21820 156 GLU A O   
1098 C CB  . GLU A 147 ? 0.64594 0.76897 0.51308 -0.21463 0.12638  -0.28702 156 GLU A CB  
1099 N N   . VAL A 148 ? 0.59065 0.67507 0.51252 -0.14713 0.11210  -0.25488 157 VAL A N   
1100 C CA  . VAL A 148 ? 0.56693 0.65108 0.48658 -0.12800 0.10244  -0.23161 157 VAL A CA  
1101 C C   . VAL A 148 ? 0.52270 0.58721 0.44857 -0.11308 0.08599  -0.21041 157 VAL A C   
1102 O O   . VAL A 148 ? 0.52316 0.59196 0.43024 -0.10654 0.06885  -0.17676 157 VAL A O   
1103 C CB  . VAL A 148 ? 0.59976 0.68122 0.56046 -0.10857 0.11926  -0.24344 157 VAL A CB  
1104 C CG1 . VAL A 148 ? 0.50748 0.59028 0.46394 -0.09073 0.10970  -0.21978 157 VAL A CG1 
1105 C CG2 . VAL A 148 ? 0.61380 0.71657 0.57120 -0.12438 0.13435  -0.25986 157 VAL A CG2 
1106 N N   . LEU A 149 ? 0.49711 0.53877 0.45963 -0.10420 0.08902  -0.21856 158 LEU A N   
1107 C CA  . LEU A 149 ? 0.53762 0.56206 0.51540 -0.08755 0.07152  -0.18629 158 LEU A CA  
1108 C C   . LEU A 149 ? 0.52514 0.56070 0.46615 -0.10416 0.05324  -0.16677 158 LEU A C   
1109 O O   . LEU A 149 ? 0.48317 0.51609 0.42146 -0.09177 0.03850  -0.13305 158 LEU A O   
1110 C CB  . LEU A 149 ? 0.53297 0.53157 0.55887 -0.07791 0.07896  -0.19875 158 LEU A CB  
1111 C CG  . LEU A 149 ? 0.46581 0.44714 0.50973 -0.06239 0.06322  -0.16624 158 LEU A CG  
1112 C CD1 . LEU A 149 ? 0.50303 0.48460 0.54894 -0.04059 0.05447  -0.13410 158 LEU A CD1 
1113 C CD2 . LEU A 149 ? 0.52874 0.48430 0.62321 -0.05480 0.07122  -0.17805 158 LEU A CD2 
1114 N N   . ALA A 150 ? 0.54255 0.59221 0.45681 -0.13364 0.05450  -0.18738 159 ALA A N   
1115 C CA  . ALA A 150 ? 0.52309 0.58929 0.40715 -0.15185 0.03435  -0.16518 159 ALA A CA  
1116 C C   . ALA A 150 ? 0.48827 0.57440 0.34301 -0.15210 0.02262  -0.13651 159 ALA A C   
1117 O O   . ALA A 150 ? 0.46891 0.55938 0.32140 -0.14797 0.00524  -0.10261 159 ALA A O   
1118 C CB  . ALA A 150 ? 0.54258 0.62364 0.40005 -0.18870 0.03695  -0.19399 159 ALA A CB  
1119 N N   . ALA A 151 ? 0.52787 0.62577 0.36469 -0.15668 0.03338  -0.14940 160 ALA A N   
1120 C CA  . ALA A 151 ? 0.46849 0.58259 0.28005 -0.15773 0.02313  -0.12221 160 ALA A CA  
1121 C C   . ALA A 151 ? 0.48861 0.58380 0.32341 -0.12618 0.01876  -0.09476 160 ALA A C   
1122 O O   . ALA A 151 ? 0.47242 0.57136 0.29830 -0.12297 0.00557  -0.06353 160 ALA A O   
1123 C CB  . ALA A 151 ? 0.53024 0.65753 0.33671 -0.16381 0.03675  -0.13345 160 ALA A CB  
1124 N N   . LEU A 152 ? 0.49355 0.56871 0.35965 -0.10425 0.03006  -0.10565 161 LEU A N   
1125 C CA  . LEU A 152 ? 0.48346 0.54184 0.36643 -0.07883 0.02590  -0.08146 161 LEU A CA  
1126 C C   . LEU A 152 ? 0.40370 0.45079 0.29650 -0.07113 0.01417  -0.05710 161 LEU A C   
1127 O O   . LEU A 152 ? 0.37610 0.41706 0.26675 -0.05992 0.00842  -0.03217 161 LEU A O   
1128 C CB  . LEU A 152 ? 0.40491 0.44895 0.32114 -0.06089 0.03739  -0.09509 161 LEU A CB  
1129 C CG  . LEU A 152 ? 0.43418 0.46325 0.36469 -0.03895 0.03297  -0.07232 161 LEU A CG  
1130 C CD1 . LEU A 152 ? 0.42350 0.45918 0.32668 -0.04000 0.02797  -0.05489 161 LEU A CD1 
1131 C CD2 . LEU A 152 ? 0.42037 0.44433 0.38442 -0.02611 0.04180  -0.08366 161 LEU A CD2 
1132 N N   . ASP A 153 ? 0.43815 0.48217 0.34349 -0.07814 0.01245  -0.06554 162 ASP A N   
1133 C CA  . ASP A 153 ? 0.40536 0.44269 0.32343 -0.07278 0.00225  -0.04260 162 ASP A CA  
1134 C C   . ASP A 153 ? 0.42487 0.48019 0.32485 -0.08315 -0.01075 -0.01811 162 ASP A C   
1135 O O   . ASP A 153 ? 0.45327 0.50267 0.36519 -0.07079 -0.01563 0.00779  162 ASP A O   
1136 C CB  . ASP A 153 ? 0.42359 0.45622 0.35870 -0.08244 0.00262  -0.05826 162 ASP A CB  
1137 C CG  . ASP A 153 ? 0.42795 0.45019 0.38598 -0.07265 -0.00430 -0.03615 162 ASP A CG  
1138 O OD1 . ASP A 153 ? 0.43100 0.44789 0.39270 -0.05678 -0.00623 -0.01164 162 ASP A OD1 
1139 O OD2 . ASP A 153 ? 0.52327 0.54247 0.49578 -0.08243 -0.00609 -0.04501 162 ASP A OD2 
1140 N N   . THR A 154 ? 0.42236 0.50075 0.29586 -0.10673 -0.01568 -0.02493 163 THR A N   
1141 C CA  . THR A 154 ? 0.43532 0.53406 0.29650 -0.11843 -0.03104 0.00350  163 THR A CA  
1142 C C   . THR A 154 ? 0.41310 0.50675 0.26999 -0.10485 -0.02985 0.02321  163 THR A C   
1143 O O   . THR A 154 ? 0.38790 0.48211 0.25736 -0.09804 -0.03796 0.05308  163 THR A O   
1144 C CB  . THR A 154 ? 0.47932 0.60706 0.30880 -0.15220 -0.03822 -0.00752 163 THR A CB  
1145 O OG1 . THR A 154 ? 0.50376 0.63098 0.33455 -0.16648 -0.03418 -0.03559 163 THR A OG1 
1146 C CG2 . THR A 154 ? 0.51545 0.66812 0.34089 -0.16695 -0.05951 0.02834  163 THR A CG2 
1147 N N   . ASN A 155 ? 0.39501 0.48333 0.23847 -0.10107 -0.01866 0.00642  164 ASN A N   
1148 C CA  . ASN A 155 ? 0.42102 0.50299 0.25888 -0.09104 -0.01707 0.02246  164 ASN A CA  
1149 C C   . ASN A 155 ? 0.38655 0.44236 0.24656 -0.06577 -0.01190 0.03444  164 ASN A C   
1150 O O   . ASN A 155 ? 0.36074 0.40870 0.22235 -0.05848 -0.01245 0.05415  164 ASN A O   
1151 C CB  . ASN A 155 ? 0.40827 0.49462 0.22825 -0.09563 -0.00657 0.00098  164 ASN A CB  
1152 C CG  . ASN A 155 ? 0.50746 0.62158 0.30009 -0.12358 -0.00901 -0.00909 164 ASN A CG  
1153 O OD1 . ASN A 155 ? 0.51962 0.64826 0.30960 -0.13749 -0.02171 0.00941  164 ASN A OD1 
1154 N ND2 . ASN A 155 ? 0.50400 0.62167 0.29667 -0.12649 0.00463  -0.03610 164 ASN A ND2 
1155 N N   . LEU A 156 ? 0.37336 0.41492 0.25036 -0.05408 -0.00586 0.02268  165 LEU A N   
1156 C CA  . LEU A 156 ? 0.40484 0.42477 0.29778 -0.03468 -0.00091 0.03469  165 LEU A CA  
1157 C C   . LEU A 156 ? 0.39862 0.41857 0.30845 -0.03178 -0.00590 0.05763  165 LEU A C   
1158 O O   . LEU A 156 ? 0.35705 0.36238 0.27509 -0.01927 0.00025  0.07133  165 LEU A O   
1159 C CB  . LEU A 156 ? 0.34544 0.35307 0.25324 -0.02550 0.00486  0.02064  165 LEU A CB  
1160 C CG  . LEU A 156 ? 0.38948 0.39288 0.29390 -0.02056 0.01136  0.00567  165 LEU A CG  
1161 C CD1 . LEU A 156 ? 0.34003 0.33327 0.26855 -0.01223 0.01432  -0.00270 165 LEU A CD1 
1162 C CD2 . LEU A 156 ? 0.33639 0.32995 0.22858 -0.01289 0.01422  0.01709  165 LEU A CD2 
1163 N N   . ALA A 157 ? 0.36228 0.39956 0.27920 -0.04453 -0.01587 0.06114  166 ALA A N   
1164 C CA  . ALA A 157 ? 0.41040 0.45409 0.35038 -0.04287 -0.02237 0.08648  166 ALA A CA  
1165 C C   . ALA A 157 ? 0.39844 0.44804 0.33931 -0.04331 -0.02638 0.10935  166 ALA A C   
1166 O O   . ALA A 157 ? 0.38383 0.42693 0.35113 -0.03168 -0.02308 0.13025  166 ALA A O   
1167 C CB  . ALA A 157 ? 0.41895 0.48430 0.36498 -0.06085 -0.03526 0.08612  166 ALA A CB  
1168 N N   . ALA A 158 ? 0.44115 0.50268 0.35673 -0.05694 -0.03186 0.10593  167 ALA A N   
1169 C CA  . ALA A 158 ? 0.39147 0.45579 0.30936 -0.05786 -0.03578 0.12929  167 ALA A CA  
1170 C C   . ALA A 158 ? 0.38567 0.42021 0.30804 -0.03864 -0.01984 0.12857  167 ALA A C   
1171 O O   . ALA A 158 ? 0.39092 0.41613 0.33656 -0.02985 -0.01674 0.14985  167 ALA A O   
1172 C CB  . ALA A 158 ? 0.44721 0.53190 0.33295 -0.07958 -0.04429 0.12499  167 ALA A CB  
1173 N N   . LEU A 159 ? 0.42126 0.44101 0.32411 -0.03317 -0.00924 0.10435  168 LEU A N   
1174 C CA  . LEU A 159 ? 0.41460 0.40768 0.31614 -0.01942 0.00489  0.10175  168 LEU A CA  
1175 C C   . LEU A 159 ? 0.40908 0.38598 0.33556 -0.00482 0.01492  0.10957  168 LEU A C   
1176 O O   . LEU A 159 ? 0.38713 0.34590 0.32429 0.00348  0.02602  0.11818  168 LEU A O   
1177 C CB  . LEU A 159 ? 0.41470 0.40145 0.29398 -0.01876 0.01056  0.07786  168 LEU A CB  
1178 C CG  . LEU A 159 ? 0.46042 0.42264 0.33258 -0.00923 0.02299  0.07386  168 LEU A CG  
1179 C CD1 . LEU A 159 ? 0.35505 0.30806 0.22073 -0.01256 0.02612  0.08263  168 LEU A CD1 
1180 C CD2 . LEU A 159 ? 0.41512 0.37736 0.27276 -0.00932 0.02437  0.05560  168 LEU A CD2 
1181 N N   . LEU A 160 ? 0.41123 0.39369 0.34843 -0.00272 0.01322  0.10539  169 LEU A N   
1182 C CA  . LEU A 160 ? 0.43161 0.40250 0.39261 0.00910  0.02391  0.11309  169 LEU A CA  
1183 C C   . LEU A 160 ? 0.40800 0.38395 0.40301 0.01290  0.02425  0.13730  169 LEU A C   
1184 O O   . LEU A 160 ? 0.32908 0.28882 0.34388 0.02445  0.04065  0.14297  169 LEU A O   
1185 C CB  . LEU A 160 ? 0.39871 0.37779 0.36793 0.00771  0.01939  0.10718  169 LEU A CB  
1186 C CG  . LEU A 160 ? 0.41037 0.38006 0.40123 0.01759  0.03105  0.11364  169 LEU A CG  
1187 C CD1 . LEU A 160 ? 0.40913 0.35540 0.38227 0.02506  0.04792  0.10519  169 LEU A CD1 
1188 C CD2 . LEU A 160 ? 0.40452 0.38274 0.40373 0.01326  0.02387  0.10868  169 LEU A CD2 
1189 N N   . ARG A 161 ? 0.46199 0.46183 0.46610 0.00199  0.00688  0.15241  170 ARG A N   
1190 C CA  . ARG A 161 ? 0.43836 0.44803 0.48329 0.00501  0.00315  0.18175  170 ARG A CA  
1191 C C   . ARG A 161 ? 0.46791 0.45571 0.52242 0.01450  0.01675  0.18416  170 ARG A C   
1192 O O   . ARG A 161 ? 0.50648 0.48839 0.60059 0.02591  0.02800  0.19222  170 ARG A O   
1193 C CB  . ARG A 161 ? 0.45641 0.49938 0.50125 -0.01375 -0.02175 0.19755  170 ARG A CB  
1194 C CG  . ARG A 161 ? 0.54676 0.61602 0.62708 -0.01845 -0.03420 0.21473  170 ARG A CG  
1195 C CD  . ARG A 161 ? 0.57129 0.66195 0.62415 -0.03880 -0.05035 0.20382  170 ARG A CD  
1196 N NE  . ARG A 161 ? 0.59346 0.70097 0.60992 -0.06001 -0.06460 0.20044  170 ARG A NE  
1197 C CZ  . ARG A 161 ? 0.56593 0.69284 0.55342 -0.08222 -0.07614 0.18441  170 ARG A CZ  
1198 N NH1 . ARG A 161 ? 0.58390 0.71411 0.57678 -0.08605 -0.07702 0.17109  170 ARG A NH1 
1199 N NH2 . ARG A 161 ? 0.53805 0.68065 0.49041 -0.10264 -0.08524 0.18040  170 ARG A NH2 
1200 N N   . GLY A 162 ? 0.44912 0.42589 0.47007 0.00885  0.01713  0.17537  171 GLY A N   
1201 C CA  . GLY A 162 ? 0.42891 0.38267 0.45769 0.01498  0.02943  0.17613  171 GLY A CA  
1202 C C   . GLY A 162 ? 0.50342 0.42460 0.52924 0.02740  0.05574  0.16065  171 GLY A C   
1203 O O   . GLY A 162 ? 0.51798 0.42079 0.57011 0.03592  0.07156  0.16243  171 GLY A O   
1204 N N   . LEU A 163 ? 0.40135 0.31773 0.39497 0.02650  0.06030  0.14070  172 LEU A N   
1205 C CA  . LEU A 163 ? 0.46488 0.35474 0.44641 0.03285  0.08296  0.12341  172 LEU A CA  
1206 C C   . LEU A 163 ? 0.48049 0.36476 0.50038 0.04423  0.10001  0.13119  172 LEU A C   
1207 O O   . LEU A 163 ? 0.52892 0.38816 0.55675 0.04992  0.12430  0.12428  172 LEU A O   
1208 C CB  . LEU A 163 ? 0.48317 0.37652 0.42713 0.02752  0.07852  0.10443  172 LEU A CB  
1209 C CG  . LEU A 163 ? 0.47565 0.36974 0.38379 0.01784  0.06952  0.09216  172 LEU A CG  
1210 C CD1 . LEU A 163 ? 0.43646 0.33923 0.32299 0.01471  0.06269  0.07902  172 LEU A CD1 
1211 C CD2 . LEU A 163 ? 0.48779 0.35595 0.37975 0.01560  0.08445  0.08376  172 LEU A CD2 
1212 N N   . GLU A 164 ? 0.42946 0.33713 0.47468 0.04616  0.08940  0.14407  173 GLU A N   
1213 C CA  . GLU A 164 ? 0.45887 0.36849 0.54516 0.05600  0.10450  0.15076  173 GLU A CA  
1214 C C   . GLU A 164 ? 0.47893 0.39778 0.61834 0.06258  0.10641  0.16670  173 GLU A C   
1215 O O   . GLU A 164 ? 0.55830 0.47254 0.73513 0.07244  0.12811  0.16830  173 GLU A O   
1216 C CB  . GLU A 164 ? 0.43957 0.37336 0.53487 0.05334  0.09115  0.15738  173 GLU A CB  
1217 C CG  . GLU A 164 ? 0.46659 0.39234 0.52381 0.04944  0.09502  0.13899  173 GLU A CG  
1218 C CD  . GLU A 164 ? 0.48157 0.42896 0.54753 0.04476  0.07948  0.14369  173 GLU A CD  
1219 O OE1 . GLU A 164 ? 0.55611 0.52558 0.63803 0.03899  0.05959  0.15553  173 GLU A OE1 
1220 O OE2 . GLU A 164 ? 0.45239 0.39471 0.50812 0.04453  0.08688  0.13599  173 GLU A OE2 
1221 N N   . SER A 165 ? 0.47531 0.40840 0.62038 0.05630  0.08564  0.17932  174 SER A N   
1222 C CA  . SER A 165 ? 0.48098 0.42241 0.67713 0.06141  0.08676  0.19636  174 SER A CA  
1223 C C   . SER A 165 ? 0.52709 0.43471 0.72772 0.06841  0.11199  0.18539  174 SER A C   
1224 O O   . SER A 165 ? 0.53713 0.44753 0.78652 0.07442  0.11867  0.19767  174 SER A O   
1225 C CB  . SER A 165 ? 0.46255 0.42977 0.65900 0.04937  0.05649  0.21494  174 SER A CB  
1226 N N   . HIS A 166 ? 0.55502 0.43132 0.70767 0.06606  0.12659  0.16295  175 HIS A N   
1227 C CA  . HIS A 166 ? 0.56568 0.40592 0.71536 0.06874  0.15237  0.14834  175 HIS A CA  
1228 C C   . HIS A 166 ? 0.56748 0.38971 0.73970 0.07788  0.18817  0.13528  175 HIS A C   
1229 O O   . HIS A 166 ? 0.61727 0.43728 0.76983 0.07815  0.19791  0.12626  175 HIS A O   
1230 C CB  . HIS A 166 ? 0.58594 0.40140 0.67078 0.05777  0.15290  0.12970  175 HIS A CB  
1231 C CG  . HIS A 166 ? 0.59721 0.37365 0.67189 0.05564  0.17782  0.11223  175 HIS A CG  
1232 N ND1 . HIS A 166 ? 0.62178 0.39221 0.72140 0.05529  0.17488  0.12016  175 HIS A ND1 
1233 C CD2 . HIS A 166 ? 0.59003 0.33048 0.62967 0.05058  0.20608  0.08614  175 HIS A CD2 
1234 C CE1 . HIS A 166 ? 0.64665 0.37937 0.72995 0.05116  0.20076  0.09809  175 HIS A CE1 
1235 N NE2 . HIS A 166 ? 0.68326 0.39736 0.72761 0.04694  0.22016  0.07585  175 HIS A NE2 
# 
