data_9INP
# 
_entry.id   9INP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9INP         pdb_00009inp 10.2210/pdb9inp/pdb 
WWPDB D_1300049194 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-05-14 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9INP 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-08 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
2 wangxiaoyu@imm.ac.cn Xiaoyu  Wang ? 'principal investigator/group leader' 0000-0001-6094-7747 
3 tianmz@imm.ac.cn     Meizhen Tian ? 'principal investigator/group leader' 0009-0002-0707-9252 
4 zhoujie@imm.ac.cn    Jie     Zhou ? 'principal investigator/group leader' 0000-0002-5029-9149 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Wang, X.Y.' 1 0000-0001-6094-7747 
'Tian, M.Z.' 2 0009-0002-0707-9252 
'Zhou, J.'   3 0000-0002-5029-9149 
'Xu, B.L.'   4 0000-0003-2633-0887 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Acs Med.Chem.Lett.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1948-5875 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                101 
_citation.page_last                 108 
_citation.title                     'Discovery of Novel Pyrimidine Derivatives as Human Pin1 Covalent Inhibitors.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acsmedchemlett.4c00477 
_citation.pdbx_database_id_PubMed   39811131 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Tian, M.' 1 ?                   
primary 'Wang, X.' 2 ?                   
primary 'Tang, G.' 3 ?                   
primary 'Cui, G.'  4 ?                   
primary 'Zhou, J.' 5 ?                   
primary 'Jin, J.'  6 ?                   
primary 'Xu, B.'   7 0000-0003-2633-0887 
# 
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 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' 13402.892 2  5.2.1.8 ? 'catalytic domain' ? 
2 non-polymer syn 
'~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine' 362.832   2  ? 
? ?                  ? 
3 non-polymer syn 'CITRIC ACID' 192.124   1  ?       ? ?                  ? 
4 water       nat water 18.015    64 ?       ? ?                  ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1' 
# 
_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       
;GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDL
GAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDL
GAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine' A1D9X 
3 'CITRIC ACID'                                                                                                       CIT   
4 water                                                                                                               HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   PRO n 
1 3   GLY n 
1 4   LYS n 
1 5   ASN n 
1 6   GLY n 
1 7   GLN n 
1 8   GLY n 
1 9   GLU n 
1 10  PRO n 
1 11  ALA n 
1 12  ARG n 
1 13  VAL n 
1 14  ARG n 
1 15  CYS n 
1 16  SER n 
1 17  HIS n 
1 18  LEU n 
1 19  LEU n 
1 20  VAL n 
1 21  LYS n 
1 22  HIS n 
1 23  SER n 
1 24  GLN n 
1 25  SER n 
1 26  ARG n 
1 27  ARG n 
1 28  PRO n 
1 29  SER n 
1 30  SER n 
1 31  TRP n 
1 32  ARG n 
1 33  GLN n 
1 34  GLU n 
1 35  GLN n 
1 36  ILE n 
1 37  THR n 
1 38  ARG n 
1 39  THR n 
1 40  GLN n 
1 41  GLU n 
1 42  GLU n 
1 43  ALA n 
1 44  LEU n 
1 45  GLU n 
1 46  LEU n 
1 47  ILE n 
1 48  ASN n 
1 49  GLY n 
1 50  TYR n 
1 51  ILE n 
1 52  GLN n 
1 53  LYS n 
1 54  ILE n 
1 55  LYS n 
1 56  SER n 
1 57  GLY n 
1 58  GLU n 
1 59  GLU n 
1 60  ASP n 
1 61  PHE n 
1 62  GLU n 
1 63  SER n 
1 64  LEU n 
1 65  ALA n 
1 66  SER n 
1 67  GLN n 
1 68  PHE n 
1 69  SER n 
1 70  ASP n 
1 71  CYS n 
1 72  SER n 
1 73  SER n 
1 74  ALA n 
1 75  LYS n 
1 76  ALA n 
1 77  ARG n 
1 78  GLY n 
1 79  ASP n 
1 80  LEU n 
1 81  GLY n 
1 82  ALA n 
1 83  PHE n 
1 84  SER n 
1 85  ARG n 
1 86  GLY n 
1 87  GLN n 
1 88  MET n 
1 89  GLN n 
1 90  LYS n 
1 91  PRO n 
1 92  PHE n 
1 93  GLU n 
1 94  ASP n 
1 95  ALA n 
1 96  SER n 
1 97  PHE n 
1 98  ALA n 
1 99  LEU n 
1 100 ARG n 
1 101 THR n 
1 102 GLY n 
1 103 GLU n 
1 104 MET n 
1 105 SER n 
1 106 GLY n 
1 107 PRO n 
1 108 VAL n 
1 109 PHE n 
1 110 THR n 
1 111 ASP n 
1 112 SER n 
1 113 GLY n 
1 114 ILE n 
1 115 HIS n 
1 116 ILE n 
1 117 ILE n 
1 118 LEU n 
1 119 ARG n 
1 120 THR n 
1 121 GLU 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                   121 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PIN1 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1D9X non-polymer         . 
'~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine' ? 
'C13 H19 Cl N4 O4 S' 362.832 
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 
CIT   non-polymer         . 'CITRIC ACID' ? 'C6 H8 O7'           192.124 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'       121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'       146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'         147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'         75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'     156.162 
HOH   non-polymer         . WATER ? 'H2 O'               18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'        131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'        131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'     147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'      149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'        165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'         115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'         105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'         119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'      204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'        181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'        117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   43  ?   ?   ?   A . n 
A 1 2   PRO 2   44  ?   ?   ?   A . n 
A 1 3   GLY 3   45  ?   ?   ?   A . n 
A 1 4   LYS 4   46  ?   ?   ?   A . n 
A 1 5   ASN 5   47  ?   ?   ?   A . n 
A 1 6   GLY 6   48  ?   ?   ?   A . n 
A 1 7   GLN 7   49  ?   ?   ?   A . n 
A 1 8   GLY 8   50  ?   ?   ?   A . n 
A 1 9   GLU 9   51  51  GLU GLU A . n 
A 1 10  PRO 10  52  52  PRO PRO A . n 
A 1 11  ALA 11  53  53  ALA ALA A . n 
A 1 12  ARG 12  54  54  ARG ARG A . n 
A 1 13  VAL 13  55  55  VAL VAL A . n 
A 1 14  ARG 14  56  56  ARG ARG A . n 
A 1 15  CYS 15  57  57  CYS CYS A . n 
A 1 16  SER 16  58  58  SER SER A . n 
A 1 17  HIS 17  59  59  HIS HIS A . n 
A 1 18  LEU 18  60  60  LEU LEU A . n 
A 1 19  LEU 19  61  61  LEU LEU A . n 
A 1 20  VAL 20  62  62  VAL VAL A . n 
A 1 21  LYS 21  63  63  LYS LYS A . n 
A 1 22  HIS 22  64  64  HIS HIS A . n 
A 1 23  SER 23  65  65  SER SER A . n 
A 1 24  GLN 24  66  66  GLN GLN A . n 
A 1 25  SER 25  67  67  SER SER A . n 
A 1 26  ARG 26  68  68  ARG ARG A . n 
A 1 27  ARG 27  69  69  ARG ARG A . n 
A 1 28  PRO 28  70  70  PRO PRO A . n 
A 1 29  SER 29  71  71  SER SER A . n 
A 1 30  SER 30  72  72  SER SER A . n 
A 1 31  TRP 31  73  73  TRP TRP A . n 
A 1 32  ARG 32  74  74  ARG ARG A . n 
A 1 33  GLN 33  75  75  GLN GLN A . n 
A 1 34  GLU 34  76  76  GLU GLU A . n 
A 1 35  GLN 35  77  77  GLN GLN A . n 
A 1 36  ILE 36  78  78  ILE ILE A . n 
A 1 37  THR 37  79  79  THR THR A . n 
A 1 38  ARG 38  80  80  ARG ARG A . n 
A 1 39  THR 39  81  81  THR THR A . n 
A 1 40  GLN 40  82  82  GLN GLN A . n 
A 1 41  GLU 41  83  83  GLU GLU A . n 
A 1 42  GLU 42  84  84  GLU GLU A . n 
A 1 43  ALA 43  85  85  ALA ALA A . n 
A 1 44  LEU 44  86  86  LEU LEU A . n 
A 1 45  GLU 45  87  87  GLU GLU A . n 
A 1 46  LEU 46  88  88  LEU LEU A . n 
A 1 47  ILE 47  89  89  ILE ILE A . n 
A 1 48  ASN 48  90  90  ASN ASN A . n 
A 1 49  GLY 49  91  91  GLY GLY A . n 
A 1 50  TYR 50  92  92  TYR TYR A . n 
A 1 51  ILE 51  93  93  ILE ILE A . n 
A 1 52  GLN 52  94  94  GLN GLN A . n 
A 1 53  LYS 53  95  95  LYS LYS A . n 
A 1 54  ILE 54  96  96  ILE ILE A . n 
A 1 55  LYS 55  97  97  LYS LYS A . n 
A 1 56  SER 56  98  98  SER SER A . n 
A 1 57  GLY 57  99  99  GLY GLY A . n 
A 1 58  GLU 58  100 100 GLU GLU A . n 
A 1 59  GLU 59  101 101 GLU GLU A . n 
A 1 60  ASP 60  102 102 ASP ASP A . n 
A 1 61  PHE 61  103 103 PHE PHE A . n 
A 1 62  GLU 62  104 104 GLU GLU A . n 
A 1 63  SER 63  105 105 SER SER A . n 
A 1 64  LEU 64  106 106 LEU LEU A . n 
A 1 65  ALA 65  107 107 ALA ALA A . n 
A 1 66  SER 66  108 108 SER SER A . n 
A 1 67  GLN 67  109 109 GLN GLN A . n 
A 1 68  PHE 68  110 110 PHE PHE A . n 
A 1 69  SER 69  111 111 SER SER A . n 
A 1 70  ASP 70  112 112 ASP ASP A . n 
A 1 71  CYS 71  113 113 CYS CYS A . n 
A 1 72  SER 72  114 114 SER SER A . n 
A 1 73  SER 73  115 115 SER SER A . n 
A 1 74  ALA 74  116 116 ALA ALA A . n 
A 1 75  LYS 75  117 117 LYS LYS A . n 
A 1 76  ALA 76  118 118 ALA ALA A . n 
A 1 77  ARG 77  119 119 ARG ARG A . n 
A 1 78  GLY 78  120 120 GLY GLY A . n 
A 1 79  ASP 79  121 121 ASP ASP A . n 
A 1 80  LEU 80  122 122 LEU LEU A . n 
A 1 81  GLY 81  123 123 GLY GLY A . n 
A 1 82  ALA 82  124 124 ALA ALA A . n 
A 1 83  PHE 83  125 125 PHE PHE A . n 
A 1 84  SER 84  126 126 SER SER A . n 
A 1 85  ARG 85  127 127 ARG ARG A . n 
A 1 86  GLY 86  128 128 GLY GLY A . n 
A 1 87  GLN 87  129 129 GLN GLN A . n 
A 1 88  MET 88  130 130 MET MET A . n 
A 1 89  GLN 89  131 131 GLN GLN A . n 
A 1 90  LYS 90  132 132 LYS LYS A . n 
A 1 91  PRO 91  133 133 PRO PRO A . n 
A 1 92  PHE 92  134 134 PHE PHE A . n 
A 1 93  GLU 93  135 135 GLU GLU A . n 
A 1 94  ASP 94  136 136 ASP ASP A . n 
A 1 95  ALA 95  137 137 ALA ALA A . n 
A 1 96  SER 96  138 138 SER SER A . n 
A 1 97  PHE 97  139 139 PHE PHE A . n 
A 1 98  ALA 98  140 140 ALA ALA A . n 
A 1 99  LEU 99  141 141 LEU LEU A . n 
A 1 100 ARG 100 142 142 ARG ARG A . n 
A 1 101 THR 101 143 143 THR THR A . n 
A 1 102 GLY 102 144 144 GLY GLY A . n 
A 1 103 GLU 103 145 145 GLU GLU A . n 
A 1 104 MET 104 146 146 MET MET A . n 
A 1 105 SER 105 147 147 SER SER A . n 
A 1 106 GLY 106 148 148 GLY GLY A . n 
A 1 107 PRO 107 149 149 PRO PRO A . n 
A 1 108 VAL 108 150 150 VAL VAL A . n 
A 1 109 PHE 109 151 151 PHE PHE A . n 
A 1 110 THR 110 152 152 THR THR A . n 
A 1 111 ASP 111 153 153 ASP ASP A . n 
A 1 112 SER 112 154 154 SER SER A . n 
A 1 113 GLY 113 155 155 GLY GLY A . n 
A 1 114 ILE 114 156 156 ILE ILE A . n 
A 1 115 HIS 115 157 157 HIS HIS A . n 
A 1 116 ILE 116 158 158 ILE ILE A . n 
A 1 117 ILE 117 159 159 ILE ILE A . n 
A 1 118 LEU 118 160 160 LEU LEU A . n 
A 1 119 ARG 119 161 161 ARG ARG A . n 
A 1 120 THR 120 162 162 THR THR A . n 
A 1 121 GLU 121 163 163 GLU GLU A . n 
B 1 1   GLY 1   43  ?   ?   ?   B . n 
B 1 2   PRO 2   44  ?   ?   ?   B . n 
B 1 3   GLY 3   45  ?   ?   ?   B . n 
B 1 4   LYS 4   46  ?   ?   ?   B . n 
B 1 5   ASN 5   47  ?   ?   ?   B . n 
B 1 6   GLY 6   48  ?   ?   ?   B . n 
B 1 7   GLN 7   49  49  GLN GLN B . n 
B 1 8   GLY 8   50  50  GLY GLY B . n 
B 1 9   GLU 9   51  51  GLU GLU B . n 
B 1 10  PRO 10  52  52  PRO PRO B . n 
B 1 11  ALA 11  53  53  ALA ALA B . n 
B 1 12  ARG 12  54  54  ARG ARG B . n 
B 1 13  VAL 13  55  55  VAL VAL B . n 
B 1 14  ARG 14  56  56  ARG ARG B . n 
B 1 15  CYS 15  57  57  CYS CYS B . n 
B 1 16  SER 16  58  58  SER SER B . n 
B 1 17  HIS 17  59  59  HIS HIS B . n 
B 1 18  LEU 18  60  60  LEU LEU B . n 
B 1 19  LEU 19  61  61  LEU LEU B . n 
B 1 20  VAL 20  62  62  VAL VAL B . n 
B 1 21  LYS 21  63  63  LYS LYS B . n 
B 1 22  HIS 22  64  64  HIS HIS B . n 
B 1 23  SER 23  65  65  SER SER B . n 
B 1 24  GLN 24  66  66  GLN GLN B . n 
B 1 25  SER 25  67  67  SER SER B . n 
B 1 26  ARG 26  68  68  ARG ARG B . n 
B 1 27  ARG 27  69  69  ARG ARG B . n 
B 1 28  PRO 28  70  70  PRO PRO B . n 
B 1 29  SER 29  71  71  SER SER B . n 
B 1 30  SER 30  72  72  SER SER B . n 
B 1 31  TRP 31  73  73  TRP TRP B . n 
B 1 32  ARG 32  74  74  ARG ARG B . n 
B 1 33  GLN 33  75  75  GLN GLN B . n 
B 1 34  GLU 34  76  76  GLU GLU B . n 
B 1 35  GLN 35  77  77  GLN GLN B . n 
B 1 36  ILE 36  78  78  ILE ILE B . n 
B 1 37  THR 37  79  79  THR THR B . n 
B 1 38  ARG 38  80  80  ARG ARG B . n 
B 1 39  THR 39  81  81  THR THR B . n 
B 1 40  GLN 40  82  82  GLN GLN B . n 
B 1 41  GLU 41  83  83  GLU GLU B . n 
B 1 42  GLU 42  84  84  GLU GLU B . n 
B 1 43  ALA 43  85  85  ALA ALA B . n 
B 1 44  LEU 44  86  86  LEU LEU B . n 
B 1 45  GLU 45  87  87  GLU GLU B . n 
B 1 46  LEU 46  88  88  LEU LEU B . n 
B 1 47  ILE 47  89  89  ILE ILE B . n 
B 1 48  ASN 48  90  90  ASN ASN B . n 
B 1 49  GLY 49  91  91  GLY GLY B . n 
B 1 50  TYR 50  92  92  TYR TYR B . n 
B 1 51  ILE 51  93  93  ILE ILE B . n 
B 1 52  GLN 52  94  94  GLN GLN B . n 
B 1 53  LYS 53  95  95  LYS LYS B . n 
B 1 54  ILE 54  96  96  ILE ILE B . n 
B 1 55  LYS 55  97  97  LYS LYS B . n 
B 1 56  SER 56  98  98  SER SER B . n 
B 1 57  GLY 57  99  99  GLY GLY B . n 
B 1 58  GLU 58  100 100 GLU GLU B . n 
B 1 59  GLU 59  101 101 GLU GLU B . n 
B 1 60  ASP 60  102 102 ASP ASP B . n 
B 1 61  PHE 61  103 103 PHE PHE B . n 
B 1 62  GLU 62  104 104 GLU GLU B . n 
B 1 63  SER 63  105 105 SER SER B . n 
B 1 64  LEU 64  106 106 LEU LEU B . n 
B 1 65  ALA 65  107 107 ALA ALA B . n 
B 1 66  SER 66  108 108 SER SER B . n 
B 1 67  GLN 67  109 109 GLN GLN B . n 
B 1 68  PHE 68  110 110 PHE PHE B . n 
B 1 69  SER 69  111 111 SER SER B . n 
B 1 70  ASP 70  112 112 ASP ASP B . n 
B 1 71  CYS 71  113 113 CYS CYS B . n 
B 1 72  SER 72  114 114 SER SER B . n 
B 1 73  SER 73  115 115 SER SER B . n 
B 1 74  ALA 74  116 116 ALA ALA B . n 
B 1 75  LYS 75  117 117 LYS LYS B . n 
B 1 76  ALA 76  118 118 ALA ALA B . n 
B 1 77  ARG 77  119 119 ARG ARG B . n 
B 1 78  GLY 78  120 120 GLY GLY B . n 
B 1 79  ASP 79  121 121 ASP ASP B . n 
B 1 80  LEU 80  122 122 LEU LEU B . n 
B 1 81  GLY 81  123 123 GLY GLY B . n 
B 1 82  ALA 82  124 124 ALA ALA B . n 
B 1 83  PHE 83  125 125 PHE PHE B . n 
B 1 84  SER 84  126 126 SER SER B . n 
B 1 85  ARG 85  127 127 ARG ARG B . n 
B 1 86  GLY 86  128 128 GLY GLY B . n 
B 1 87  GLN 87  129 129 GLN GLN B . n 
B 1 88  MET 88  130 130 MET MET B . n 
B 1 89  GLN 89  131 131 GLN GLN B . n 
B 1 90  LYS 90  132 132 LYS LYS B . n 
B 1 91  PRO 91  133 133 PRO PRO B . n 
B 1 92  PHE 92  134 134 PHE PHE B . n 
B 1 93  GLU 93  135 135 GLU GLU B . n 
B 1 94  ASP 94  136 136 ASP ASP B . n 
B 1 95  ALA 95  137 137 ALA ALA B . n 
B 1 96  SER 96  138 138 SER SER B . n 
B 1 97  PHE 97  139 139 PHE PHE B . n 
B 1 98  ALA 98  140 140 ALA ALA B . n 
B 1 99  LEU 99  141 141 LEU LEU B . n 
B 1 100 ARG 100 142 142 ARG ARG B . n 
B 1 101 THR 101 143 143 THR THR B . n 
B 1 102 GLY 102 144 144 GLY GLY B . n 
B 1 103 GLU 103 145 145 GLU GLU B . n 
B 1 104 MET 104 146 146 MET MET B . n 
B 1 105 SER 105 147 147 SER SER B . n 
B 1 106 GLY 106 148 148 GLY GLY B . n 
B 1 107 PRO 107 149 149 PRO PRO B . n 
B 1 108 VAL 108 150 150 VAL VAL B . n 
B 1 109 PHE 109 151 151 PHE PHE B . n 
B 1 110 THR 110 152 152 THR THR B . n 
B 1 111 ASP 111 153 153 ASP ASP B . n 
B 1 112 SER 112 154 154 SER SER B . n 
B 1 113 GLY 113 155 155 GLY GLY B . n 
B 1 114 ILE 114 156 156 ILE ILE B . n 
B 1 115 HIS 115 157 157 HIS HIS B . n 
B 1 116 ILE 116 158 158 ILE ILE B . n 
B 1 117 ILE 117 159 159 ILE ILE B . n 
B 1 118 LEU 118 160 160 LEU LEU B . n 
B 1 119 ARG 119 161 161 ARG ARG B . n 
B 1 120 THR 120 162 162 THR THR B . n 
B 1 121 GLU 121 163 163 GLU GLU B . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 CIT   ? ? CIT   ? ? 'SUBJECT OF INVESTIGATION' ? 
2 A1D9X ? ? A1D9X ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 
C 2 A1D9X 1  201 200 A1D9X LIG A . 
D 3 CIT   1  202 202 CIT   CTR A . 
E 2 A1D9X 1  200 200 A1D9X LIG B . 
F 4 HOH   1  301 27  HOH   HOH A . 
F 4 HOH   2  302 17  HOH   HOH A . 
F 4 HOH   3  303 46  HOH   HOH A . 
F 4 HOH   4  304 9   HOH   HOH A . 
F 4 HOH   5  305 7   HOH   HOH A . 
F 4 HOH   6  306 51  HOH   HOH A . 
F 4 HOH   7  307 2   HOH   HOH A . 
F 4 HOH   8  308 56  HOH   HOH A . 
F 4 HOH   9  309 14  HOH   HOH A . 
F 4 HOH   10 310 54  HOH   HOH A . 
F 4 HOH   11 311 40  HOH   HOH A . 
F 4 HOH   12 312 44  HOH   HOH A . 
F 4 HOH   13 313 64  HOH   HOH A . 
F 4 HOH   14 314 18  HOH   HOH A . 
F 4 HOH   15 315 35  HOH   HOH A . 
F 4 HOH   16 316 50  HOH   HOH A . 
F 4 HOH   17 317 57  HOH   HOH A . 
F 4 HOH   18 318 15  HOH   HOH A . 
F 4 HOH   19 319 19  HOH   HOH A . 
F 4 HOH   20 320 28  HOH   HOH A . 
F 4 HOH   21 321 33  HOH   HOH A . 
F 4 HOH   22 322 53  HOH   HOH A . 
F 4 HOH   23 323 62  HOH   HOH A . 
F 4 HOH   24 324 31  HOH   HOH A . 
F 4 HOH   25 325 22  HOH   HOH A . 
F 4 HOH   26 326 58  HOH   HOH A . 
F 4 HOH   27 327 39  HOH   HOH A . 
F 4 HOH   28 328 34  HOH   HOH A . 
F 4 HOH   29 329 48  HOH   HOH A . 
F 4 HOH   30 330 29  HOH   HOH A . 
F 4 HOH   31 331 6   HOH   HOH A . 
F 4 HOH   32 332 20  HOH   HOH A . 
F 4 HOH   33 333 60  HOH   HOH A . 
F 4 HOH   34 334 26  HOH   HOH A . 
F 4 HOH   35 335 41  HOH   HOH A . 
F 4 HOH   36 336 43  HOH   HOH A . 
F 4 HOH   37 337 45  HOH   HOH A . 
F 4 HOH   38 338 63  HOH   HOH A . 
F 4 HOH   39 339 55  HOH   HOH A . 
G 4 HOH   1  301 1   HOH   HOH B . 
G 4 HOH   2  302 24  HOH   HOH B . 
G 4 HOH   3  303 25  HOH   HOH B . 
G 4 HOH   4  304 4   HOH   HOH B . 
G 4 HOH   5  305 3   HOH   HOH B . 
G 4 HOH   6  306 21  HOH   HOH B . 
G 4 HOH   7  307 38  HOH   HOH B . 
G 4 HOH   8  308 37  HOH   HOH B . 
G 4 HOH   9  309 5   HOH   HOH B . 
G 4 HOH   10 310 23  HOH   HOH B . 
G 4 HOH   11 311 12  HOH   HOH B . 
G 4 HOH   12 312 10  HOH   HOH B . 
G 4 HOH   13 313 61  HOH   HOH B . 
G 4 HOH   14 314 30  HOH   HOH B . 
G 4 HOH   15 315 11  HOH   HOH B . 
G 4 HOH   16 316 8   HOH   HOH B . 
G 4 HOH   17 317 59  HOH   HOH B . 
G 4 HOH   18 318 13  HOH   HOH B . 
G 4 HOH   19 319 49  HOH   HOH B . 
G 4 HOH   20 320 52  HOH   HOH B . 
G 4 HOH   21 321 36  HOH   HOH B . 
G 4 HOH   22 322 42  HOH   HOH B . 
G 4 HOH   23 323 47  HOH   HOH B . 
G 4 HOH   24 324 16  HOH   HOH B . 
G 4 HOH   25 325 32  HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A LYS 117 ? CD ? A LYS 75 CD 
2 1 Y 1 A LYS 117 ? CE ? A LYS 75 CE 
3 1 Y 1 A LYS 117 ? NZ ? A LYS 75 NZ 
4 1 Y 1 B LYS 117 ? CD ? B LYS 75 CD 
5 1 Y 1 B LYS 117 ? CE ? B LYS 75 CE 
6 1 Y 1 B LYS 117 ? NZ ? B LYS 75 NZ 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.19.2_4158 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   100.872 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9INP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     118.395 
_cell.length_a_esd                 ? 
_cell.length_b                     36.128 
_cell.length_b_esd                 ? 
_cell.length_c                     51.649 
_cell.length_c_esd                 ? 
_cell.volume                       216956.789 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9INP 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            'C 2y' 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9INP 
_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             2.12 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.95 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.0 
_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    '(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM' 
_exptl_crystal_grow.pdbx_pH_range   7.5-8.5 
_exptl_crystal_grow.temp            291 
# 
_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                         'RIGAKU SATURN 944' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-07-13 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU FR-X' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          20.32 
_reflns.entry_id                                       9INP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.57 
_reflns.d_resolution_low                               35.08 
_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                                     6957 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.55 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7.3 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.12 
_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                                   0.994 
_reflns.pdbx_CC_star                                   0.999 
_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                                    2.57 
_reflns_shell.d_res_low                                     2.662 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             667 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.921 
_reflns_shell.pdbx_CC_star                                  0.979 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_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                               20.17 
_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                                 9INP 
_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                            2.57 
_refine.ls_d_res_low                             35.08 
_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                     6957 
_refine.ls_number_reflns_R_free                  343 
_refine.ls_number_reflns_R_work                  6614 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.39 
_refine.ls_percent_reflns_R_free                 4.93 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1760 
_refine.ls_R_factor_R_free                       0.2603 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1719 
_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                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       '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                 25.3537 
_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                            0.3337 
_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                       2.57 
_refine_hist.d_res_low                        35.08 
_refine_hist.number_atoms_solvent             64 
_refine_hist.number_atoms_total               1910 
_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        1789 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         57 
_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' ? 0.0077  ? 1877 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9570  ? 2528 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0537  ? 267  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0072  ? 335  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.8347 ? 279  ? 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' 2.57 3.23  . . 186 3229 97.77 . . . . 0.2001 . . . . . . . . . . . 0.3046 
'X-RAY DIFFRACTION' 3.23 35.08 . . 157 3385 98.99 . . . . 0.1565 . . . . . . . . . . . 0.2293 
# 
_struct.entry_id                     9INP 
_struct.title                        
'Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor' 
_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        9INP 
_struct_keywords.text            'Peptidyl-prolyl cis-trans isomerase, Pin1, covalent inhibitor, ISOMERASE' 
_struct_keywords.pdbx_keywords   ISOMERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 2 ? 
F N N 4 ? 
G N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PIN1_HUMAN 
_struct_ref.pdbx_db_accession          Q13526 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGA
FSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
;
_struct_ref.pdbx_align_begin           45 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9INP A 3 ? 121 ? Q13526 45 ? 163 ? 45 163 
2 1 9INP B 3 ? 121 ? Q13526 45 ? 163 ? 45 163 
# 
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 9INP GLY A 1  ? UNP Q13526 ?   ?  'expression tag' 43 1 
1 9INP PRO A 2  ? UNP Q13526 ?   ?  'expression tag' 44 2 
1 9INP GLN A 35 ? UNP Q13526 LYS 77 conflict         77 3 
1 9INP GLN A 40 ? UNP Q13526 LYS 82 conflict         82 4 
2 9INP GLY B 1  ? UNP Q13526 ?   ?  'expression tag' 43 5 
2 9INP PRO B 2  ? UNP Q13526 ?   ?  'expression tag' 44 6 
2 9INP GLN B 35 ? UNP Q13526 LYS 77 conflict         77 7 
2 9INP GLN B 40 ? UNP Q13526 LYS 82 conflict         82 8 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,D,F 
2 1 B,E,G   
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 THR A 39 ? GLY A 57 ? THR A 81  GLY A 99  1 ? 19 
HELX_P HELX_P2 AA2 ASP A 60 ? SER A 69 ? ASP A 102 SER A 111 1 ? 10 
HELX_P HELX_P3 AA3 CYS A 71 ? ARG A 77 ? CYS A 113 ARG A 119 5 ? 7  
HELX_P HELX_P4 AA4 GLN A 89 ? ALA A 98 ? GLN A 131 ALA A 140 1 ? 10 
HELX_P HELX_P5 AA5 THR B 39 ? SER B 56 ? THR B 81  SER B 98  1 ? 18 
HELX_P HELX_P6 AA6 ASP B 60 ? SER B 69 ? ASP B 102 SER B 111 1 ? 10 
HELX_P HELX_P7 AA7 CYS B 71 ? ARG B 77 ? CYS B 113 ARG B 119 5 ? 7  
HELX_P HELX_P8 AA8 GLN B 89 ? ALA B 98 ? GLN B 131 ALA B 140 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale one ? A CYS 71 SG ? ? ? 1_555 C A1D9X . C4 ? ? A CYS 113 A A1D9X 201 1_555 ? ? ? ? ? ? ? 1.762 ? ? 
covale2 covale one ? B CYS 71 SG ? ? ? 1_555 E A1D9X . C4 ? ? B CYS 113 B A1D9X 200 1_555 ? ? ? ? ? ? ? 1.766 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 A1D9X C . ? CYS A 71 ? A1D9X A 201 ? 1_555 CYS A 113 ? 1_555 C4 SG CYS 1 A1D9X None 'Covalent chemical modification' 
2 A1D9X E . ? CYS B 71 ? A1D9X B 200 ? 1_555 CYS B 113 ? 1_555 C4 SG CYS 1 A1D9X None 'Covalent chemical modification' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 4 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? 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 ASP A 79  ? SER A 84  ? ASP A 121 SER A 126 
AA1 2 ARG A 12  ? VAL A 20  ? ARG A 54  VAL A 62  
AA1 3 GLY A 113 ? GLU A 121 ? GLY A 155 GLU A 163 
AA1 4 VAL A 108 ? THR A 110 ? VAL A 150 THR A 152 
AA2 1 ASP B 79  ? PHE B 83  ? ASP B 121 PHE B 125 
AA2 2 VAL B 13  ? VAL B 20  ? VAL B 55  VAL B 62  
AA2 3 ILE B 114 ? GLU B 121 ? ILE B 156 GLU B 163 
AA2 4 VAL B 108 ? PHE B 109 ? VAL B 150 PHE B 151 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O PHE A 83  ? O PHE A 125 N VAL A 13  ? N VAL A 55  
AA1 2 3 N VAL A 20  ? N VAL A 62  O ILE A 114 ? O ILE A 156 
AA1 3 4 O HIS A 115 ? O HIS A 157 N VAL A 108 ? N VAL A 150 
AA2 1 2 O LEU B 80  ? O LEU B 122 N CYS B 15  ? N CYS B 57  
AA2 2 3 N SER B 16  ? N SER B 58  O LEU B 118 ? O LEU B 160 
AA2 3 4 O HIS B 115 ? O HIS B 157 N VAL B 108 ? N VAL B 150 
# 
_pdbx_entry_details.entry_id                   9INP 
_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   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O1  A CIT 202 ? ? O A HOH 301 ? ? 2.13 
2 1 OE1 A GLU 101 ? ? O A HOH 302 ? ? 2.17 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 PRO A 70  ? ? -76.91 49.18 
2 1 ASP B 112 ? ? -79.07 34.96 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 -x,y,-z         
3 x+1/2,y+1/2,z   
4 -x+1/2,y+1/2,-z 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 43 ? A GLY 1 
2  1 Y 1 A PRO 44 ? A PRO 2 
3  1 Y 1 A GLY 45 ? A GLY 3 
4  1 Y 1 A LYS 46 ? A LYS 4 
5  1 Y 1 A ASN 47 ? A ASN 5 
6  1 Y 1 A GLY 48 ? A GLY 6 
7  1 Y 1 A GLN 49 ? A GLN 7 
8  1 Y 1 A GLY 50 ? A GLY 8 
9  1 Y 1 B GLY 43 ? B GLY 1 
10 1 Y 1 B PRO 44 ? B PRO 2 
11 1 Y 1 B GLY 45 ? B GLY 3 
12 1 Y 1 B LYS 46 ? B LYS 4 
13 1 Y 1 B ASN 47 ? B ASN 5 
14 1 Y 1 B GLY 48 ? B GLY 6 
# 
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 
A1D9X N3   N  Y N 1   
A1D9X C4   C  Y N 2   
A1D9X C5   C  Y N 3   
A1D9X C6   C  Y N 4   
A1D9X C7   C  Y N 5   
A1D9X C8   C  N R 6   
A1D9X C10  C  N N 7   
A1D9X C13  C  N N 8   
A1D9X C15  C  N N 9   
A1D9X C11  C  N N 10  
A1D9X C12  C  N N 11  
A1D9X C14  C  N N 12  
A1D9X C16  C  N N 13  
A1D9X C9   C  N N 14  
A1D9X N2   N  Y N 15  
A1D9X N4   N  N N 16  
A1D9X N5   N  N N 17  
A1D9X O2   O  N N 18  
A1D9X O3   O  N N 19  
A1D9X O4   O  N N 20  
A1D9X O5   O  N N 21  
A1D9X S2   S  N N 22  
A1D9X CL1  CL N N 23  
A1D9X H16  H  N N 24  
A1D9X H17  H  N N 25  
A1D9X H2   H  N N 26  
A1D9X H1   H  N N 27  
A1D9X H10  H  N N 28  
A1D9X H12  H  N N 29  
A1D9X H11  H  N N 30  
A1D9X H4   H  N N 31  
A1D9X H3   H  N N 32  
A1D9X H6   H  N N 33  
A1D9X H5   H  N N 34  
A1D9X H8   H  N N 35  
A1D9X H7   H  N N 36  
A1D9X H9   H  N N 37  
A1D9X H13  H  N N 38  
A1D9X H14  H  N N 39  
A1D9X H15  H  N N 40  
A1D9X H19  H  N N 41  
A1D9X H18  H  N N 42  
ALA   N    N  N N 43  
ALA   CA   C  N S 44  
ALA   C    C  N N 45  
ALA   O    O  N N 46  
ALA   CB   C  N N 47  
ALA   OXT  O  N N 48  
ALA   H    H  N N 49  
ALA   H2   H  N N 50  
ALA   HA   H  N N 51  
ALA   HB1  H  N N 52  
ALA   HB2  H  N N 53  
ALA   HB3  H  N N 54  
ALA   HXT  H  N N 55  
ARG   N    N  N N 56  
ARG   CA   C  N S 57  
ARG   C    C  N N 58  
ARG   O    O  N N 59  
ARG   CB   C  N N 60  
ARG   CG   C  N N 61  
ARG   CD   C  N N 62  
ARG   NE   N  N N 63  
ARG   CZ   C  N N 64  
ARG   NH1  N  N N 65  
ARG   NH2  N  N N 66  
ARG   OXT  O  N N 67  
ARG   H    H  N N 68  
ARG   H2   H  N N 69  
ARG   HA   H  N N 70  
ARG   HB2  H  N N 71  
ARG   HB3  H  N N 72  
ARG   HG2  H  N N 73  
ARG   HG3  H  N N 74  
ARG   HD2  H  N N 75  
ARG   HD3  H  N N 76  
ARG   HE   H  N N 77  
ARG   HH11 H  N N 78  
ARG   HH12 H  N N 79  
ARG   HH21 H  N N 80  
ARG   HH22 H  N N 81  
ARG   HXT  H  N N 82  
ASN   N    N  N N 83  
ASN   CA   C  N S 84  
ASN   C    C  N N 85  
ASN   O    O  N N 86  
ASN   CB   C  N N 87  
ASN   CG   C  N N 88  
ASN   OD1  O  N N 89  
ASN   ND2  N  N N 90  
ASN   OXT  O  N N 91  
ASN   H    H  N N 92  
ASN   H2   H  N N 93  
ASN   HA   H  N N 94  
ASN   HB2  H  N N 95  
ASN   HB3  H  N N 96  
ASN   HD21 H  N N 97  
ASN   HD22 H  N N 98  
ASN   HXT  H  N N 99  
ASP   N    N  N N 100 
ASP   CA   C  N S 101 
ASP   C    C  N N 102 
ASP   O    O  N N 103 
ASP   CB   C  N N 104 
ASP   CG   C  N N 105 
ASP   OD1  O  N N 106 
ASP   OD2  O  N N 107 
ASP   OXT  O  N N 108 
ASP   H    H  N N 109 
ASP   H2   H  N N 110 
ASP   HA   H  N N 111 
ASP   HB2  H  N N 112 
ASP   HB3  H  N N 113 
ASP   HD2  H  N N 114 
ASP   HXT  H  N N 115 
CIT   C1   C  N N 116 
CIT   O1   O  N N 117 
CIT   O2   O  N N 118 
CIT   C2   C  N N 119 
CIT   C3   C  N N 120 
CIT   O7   O  N N 121 
CIT   C4   C  N N 122 
CIT   C5   C  N N 123 
CIT   O3   O  N N 124 
CIT   O4   O  N N 125 
CIT   C6   C  N N 126 
CIT   O5   O  N N 127 
CIT   O6   O  N N 128 
CIT   HO2  H  N N 129 
CIT   H21  H  N N 130 
CIT   H22  H  N N 131 
CIT   HO7  H  N N 132 
CIT   H41  H  N N 133 
CIT   H42  H  N N 134 
CIT   HO4  H  N N 135 
CIT   HO6  H  N N 136 
CYS   N    N  N N 137 
CYS   CA   C  N R 138 
CYS   C    C  N N 139 
CYS   O    O  N N 140 
CYS   CB   C  N N 141 
CYS   SG   S  N N 142 
CYS   OXT  O  N N 143 
CYS   H    H  N N 144 
CYS   H2   H  N N 145 
CYS   HA   H  N N 146 
CYS   HB2  H  N N 147 
CYS   HB3  H  N N 148 
CYS   HG   H  N N 149 
CYS   HXT  H  N N 150 
GLN   N    N  N N 151 
GLN   CA   C  N S 152 
GLN   C    C  N N 153 
GLN   O    O  N N 154 
GLN   CB   C  N N 155 
GLN   CG   C  N N 156 
GLN   CD   C  N N 157 
GLN   OE1  O  N N 158 
GLN   NE2  N  N N 159 
GLN   OXT  O  N N 160 
GLN   H    H  N N 161 
GLN   H2   H  N N 162 
GLN   HA   H  N N 163 
GLN   HB2  H  N N 164 
GLN   HB3  H  N N 165 
GLN   HG2  H  N N 166 
GLN   HG3  H  N N 167 
GLN   HE21 H  N N 168 
GLN   HE22 H  N N 169 
GLN   HXT  H  N N 170 
GLU   N    N  N N 171 
GLU   CA   C  N S 172 
GLU   C    C  N N 173 
GLU   O    O  N N 174 
GLU   CB   C  N N 175 
GLU   CG   C  N N 176 
GLU   CD   C  N N 177 
GLU   OE1  O  N N 178 
GLU   OE2  O  N N 179 
GLU   OXT  O  N N 180 
GLU   H    H  N N 181 
GLU   H2   H  N N 182 
GLU   HA   H  N N 183 
GLU   HB2  H  N N 184 
GLU   HB3  H  N N 185 
GLU   HG2  H  N N 186 
GLU   HG3  H  N N 187 
GLU   HE2  H  N N 188 
GLU   HXT  H  N N 189 
GLY   N    N  N N 190 
GLY   CA   C  N N 191 
GLY   C    C  N N 192 
GLY   O    O  N N 193 
GLY   OXT  O  N N 194 
GLY   H    H  N N 195 
GLY   H2   H  N N 196 
GLY   HA2  H  N N 197 
GLY   HA3  H  N N 198 
GLY   HXT  H  N N 199 
HIS   N    N  N N 200 
HIS   CA   C  N S 201 
HIS   C    C  N N 202 
HIS   O    O  N N 203 
HIS   CB   C  N N 204 
HIS   CG   C  Y N 205 
HIS   ND1  N  Y N 206 
HIS   CD2  C  Y N 207 
HIS   CE1  C  Y N 208 
HIS   NE2  N  Y N 209 
HIS   OXT  O  N N 210 
HIS   H    H  N N 211 
HIS   H2   H  N N 212 
HIS   HA   H  N N 213 
HIS   HB2  H  N N 214 
HIS   HB3  H  N N 215 
HIS   HD1  H  N N 216 
HIS   HD2  H  N N 217 
HIS   HE1  H  N N 218 
HIS   HE2  H  N N 219 
HIS   HXT  H  N N 220 
HOH   O    O  N N 221 
HOH   H1   H  N N 222 
HOH   H2   H  N N 223 
ILE   N    N  N N 224 
ILE   CA   C  N S 225 
ILE   C    C  N N 226 
ILE   O    O  N N 227 
ILE   CB   C  N S 228 
ILE   CG1  C  N N 229 
ILE   CG2  C  N N 230 
ILE   CD1  C  N N 231 
ILE   OXT  O  N N 232 
ILE   H    H  N N 233 
ILE   H2   H  N N 234 
ILE   HA   H  N N 235 
ILE   HB   H  N N 236 
ILE   HG12 H  N N 237 
ILE   HG13 H  N N 238 
ILE   HG21 H  N N 239 
ILE   HG22 H  N N 240 
ILE   HG23 H  N N 241 
ILE   HD11 H  N N 242 
ILE   HD12 H  N N 243 
ILE   HD13 H  N N 244 
ILE   HXT  H  N N 245 
LEU   N    N  N N 246 
LEU   CA   C  N S 247 
LEU   C    C  N N 248 
LEU   O    O  N N 249 
LEU   CB   C  N N 250 
LEU   CG   C  N N 251 
LEU   CD1  C  N N 252 
LEU   CD2  C  N N 253 
LEU   OXT  O  N N 254 
LEU   H    H  N N 255 
LEU   H2   H  N N 256 
LEU   HA   H  N N 257 
LEU   HB2  H  N N 258 
LEU   HB3  H  N N 259 
LEU   HG   H  N N 260 
LEU   HD11 H  N N 261 
LEU   HD12 H  N N 262 
LEU   HD13 H  N N 263 
LEU   HD21 H  N N 264 
LEU   HD22 H  N N 265 
LEU   HD23 H  N N 266 
LEU   HXT  H  N N 267 
LYS   N    N  N N 268 
LYS   CA   C  N S 269 
LYS   C    C  N N 270 
LYS   O    O  N N 271 
LYS   CB   C  N N 272 
LYS   CG   C  N N 273 
LYS   CD   C  N N 274 
LYS   CE   C  N N 275 
LYS   NZ   N  N N 276 
LYS   OXT  O  N N 277 
LYS   H    H  N N 278 
LYS   H2   H  N N 279 
LYS   HA   H  N N 280 
LYS   HB2  H  N N 281 
LYS   HB3  H  N N 282 
LYS   HG2  H  N N 283 
LYS   HG3  H  N N 284 
LYS   HD2  H  N N 285 
LYS   HD3  H  N N 286 
LYS   HE2  H  N N 287 
LYS   HE3  H  N N 288 
LYS   HZ1  H  N N 289 
LYS   HZ2  H  N N 290 
LYS   HZ3  H  N N 291 
LYS   HXT  H  N N 292 
MET   N    N  N N 293 
MET   CA   C  N S 294 
MET   C    C  N N 295 
MET   O    O  N N 296 
MET   CB   C  N N 297 
MET   CG   C  N N 298 
MET   SD   S  N N 299 
MET   CE   C  N N 300 
MET   OXT  O  N N 301 
MET   H    H  N N 302 
MET   H2   H  N N 303 
MET   HA   H  N N 304 
MET   HB2  H  N N 305 
MET   HB3  H  N N 306 
MET   HG2  H  N N 307 
MET   HG3  H  N N 308 
MET   HE1  H  N N 309 
MET   HE2  H  N N 310 
MET   HE3  H  N N 311 
MET   HXT  H  N N 312 
PHE   N    N  N N 313 
PHE   CA   C  N S 314 
PHE   C    C  N N 315 
PHE   O    O  N N 316 
PHE   CB   C  N N 317 
PHE   CG   C  Y N 318 
PHE   CD1  C  Y N 319 
PHE   CD2  C  Y N 320 
PHE   CE1  C  Y N 321 
PHE   CE2  C  Y N 322 
PHE   CZ   C  Y N 323 
PHE   OXT  O  N N 324 
PHE   H    H  N N 325 
PHE   H2   H  N N 326 
PHE   HA   H  N N 327 
PHE   HB2  H  N N 328 
PHE   HB3  H  N N 329 
PHE   HD1  H  N N 330 
PHE   HD2  H  N N 331 
PHE   HE1  H  N N 332 
PHE   HE2  H  N N 333 
PHE   HZ   H  N N 334 
PHE   HXT  H  N N 335 
PRO   N    N  N N 336 
PRO   CA   C  N S 337 
PRO   C    C  N N 338 
PRO   O    O  N N 339 
PRO   CB   C  N N 340 
PRO   CG   C  N N 341 
PRO   CD   C  N N 342 
PRO   OXT  O  N N 343 
PRO   H    H  N N 344 
PRO   HA   H  N N 345 
PRO   HB2  H  N N 346 
PRO   HB3  H  N N 347 
PRO   HG2  H  N N 348 
PRO   HG3  H  N N 349 
PRO   HD2  H  N N 350 
PRO   HD3  H  N N 351 
PRO   HXT  H  N N 352 
SER   N    N  N N 353 
SER   CA   C  N S 354 
SER   C    C  N N 355 
SER   O    O  N N 356 
SER   CB   C  N N 357 
SER   OG   O  N N 358 
SER   OXT  O  N N 359 
SER   H    H  N N 360 
SER   H2   H  N N 361 
SER   HA   H  N N 362 
SER   HB2  H  N N 363 
SER   HB3  H  N N 364 
SER   HG   H  N N 365 
SER   HXT  H  N N 366 
THR   N    N  N N 367 
THR   CA   C  N S 368 
THR   C    C  N N 369 
THR   O    O  N N 370 
THR   CB   C  N R 371 
THR   OG1  O  N N 372 
THR   CG2  C  N N 373 
THR   OXT  O  N N 374 
THR   H    H  N N 375 
THR   H2   H  N N 376 
THR   HA   H  N N 377 
THR   HB   H  N N 378 
THR   HG1  H  N N 379 
THR   HG21 H  N N 380 
THR   HG22 H  N N 381 
THR   HG23 H  N N 382 
THR   HXT  H  N N 383 
TRP   N    N  N N 384 
TRP   CA   C  N S 385 
TRP   C    C  N N 386 
TRP   O    O  N N 387 
TRP   CB   C  N N 388 
TRP   CG   C  Y N 389 
TRP   CD1  C  Y N 390 
TRP   CD2  C  Y N 391 
TRP   NE1  N  Y N 392 
TRP   CE2  C  Y N 393 
TRP   CE3  C  Y N 394 
TRP   CZ2  C  Y N 395 
TRP   CZ3  C  Y N 396 
TRP   CH2  C  Y N 397 
TRP   OXT  O  N N 398 
TRP   H    H  N N 399 
TRP   H2   H  N N 400 
TRP   HA   H  N N 401 
TRP   HB2  H  N N 402 
TRP   HB3  H  N N 403 
TRP   HD1  H  N N 404 
TRP   HE1  H  N N 405 
TRP   HE3  H  N N 406 
TRP   HZ2  H  N N 407 
TRP   HZ3  H  N N 408 
TRP   HH2  H  N N 409 
TRP   HXT  H  N N 410 
TYR   N    N  N N 411 
TYR   CA   C  N S 412 
TYR   C    C  N N 413 
TYR   O    O  N N 414 
TYR   CB   C  N N 415 
TYR   CG   C  Y N 416 
TYR   CD1  C  Y N 417 
TYR   CD2  C  Y N 418 
TYR   CE1  C  Y N 419 
TYR   CE2  C  Y N 420 
TYR   CZ   C  Y N 421 
TYR   OH   O  N N 422 
TYR   OXT  O  N N 423 
TYR   H    H  N N 424 
TYR   H2   H  N N 425 
TYR   HA   H  N N 426 
TYR   HB2  H  N N 427 
TYR   HB3  H  N N 428 
TYR   HD1  H  N N 429 
TYR   HD2  H  N N 430 
TYR   HE1  H  N N 431 
TYR   HE2  H  N N 432 
TYR   HH   H  N N 433 
TYR   HXT  H  N N 434 
VAL   N    N  N N 435 
VAL   CA   C  N S 436 
VAL   C    C  N N 437 
VAL   O    O  N N 438 
VAL   CB   C  N N 439 
VAL   CG1  C  N N 440 
VAL   CG2  C  N N 441 
VAL   OXT  O  N N 442 
VAL   H    H  N N 443 
VAL   H2   H  N N 444 
VAL   HA   H  N N 445 
VAL   HB   H  N N 446 
VAL   HG11 H  N N 447 
VAL   HG12 H  N N 448 
VAL   HG13 H  N N 449 
VAL   HG21 H  N N 450 
VAL   HG22 H  N N 451 
VAL   HG23 H  N N 452 
VAL   HXT  H  N N 453 
# 
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 
A1D9X C10 S2   sing N N 1   
A1D9X C10 C11  sing N N 2   
A1D9X C11 C8   sing N N 3   
A1D9X C12 C13  sing N N 4   
A1D9X C12 N4   sing N N 5   
A1D9X C13 C16  sing N N 6   
A1D9X C13 C15  sing N N 7   
A1D9X C13 C14  sing N N 8   
A1D9X C4  N2   doub Y N 9   
A1D9X C4  N3   sing Y N 10  
A1D9X C5  C6   sing Y N 11  
A1D9X C5  N3   doub Y N 12  
A1D9X C6  N5   sing N N 13  
A1D9X C6  C7   doub Y N 14  
A1D9X C7  N4   sing N N 15  
A1D9X C7  N2   sing Y N 16  
A1D9X C8  C9   sing N N 17  
A1D9X C8  N4   sing N N 18  
A1D9X C9  S2   sing N N 19  
A1D9X N5  O5   doub N N 20  
A1D9X N5  O4   sing N N 21  
A1D9X O2  S2   doub N N 22  
A1D9X O3  S2   doub N N 23  
A1D9X C4  CL1  sing N N 24  
A1D9X C5  H16  sing N N 25  
A1D9X C8  H17  sing N N 26  
A1D9X C10 H2   sing N N 27  
A1D9X C10 H1   sing N N 28  
A1D9X C15 H10  sing N N 29  
A1D9X C15 H12  sing N N 30  
A1D9X C15 H11  sing N N 31  
A1D9X C11 H4   sing N N 32  
A1D9X C11 H3   sing N N 33  
A1D9X C12 H6   sing N N 34  
A1D9X C12 H5   sing N N 35  
A1D9X C14 H8   sing N N 36  
A1D9X C14 H7   sing N N 37  
A1D9X C14 H9   sing N N 38  
A1D9X C16 H13  sing N N 39  
A1D9X C16 H14  sing N N 40  
A1D9X C16 H15  sing N N 41  
A1D9X C9  H19  sing N N 42  
A1D9X C9  H18  sing N N 43  
ALA   N   CA   sing N N 44  
ALA   N   H    sing N N 45  
ALA   N   H2   sing N N 46  
ALA   CA  C    sing N N 47  
ALA   CA  CB   sing N N 48  
ALA   CA  HA   sing N N 49  
ALA   C   O    doub N N 50  
ALA   C   OXT  sing N N 51  
ALA   CB  HB1  sing N N 52  
ALA   CB  HB2  sing N N 53  
ALA   CB  HB3  sing N N 54  
ALA   OXT HXT  sing N N 55  
ARG   N   CA   sing N N 56  
ARG   N   H    sing N N 57  
ARG   N   H2   sing N N 58  
ARG   CA  C    sing N N 59  
ARG   CA  CB   sing N N 60  
ARG   CA  HA   sing N N 61  
ARG   C   O    doub N N 62  
ARG   C   OXT  sing N N 63  
ARG   CB  CG   sing N N 64  
ARG   CB  HB2  sing N N 65  
ARG   CB  HB3  sing N N 66  
ARG   CG  CD   sing N N 67  
ARG   CG  HG2  sing N N 68  
ARG   CG  HG3  sing N N 69  
ARG   CD  NE   sing N N 70  
ARG   CD  HD2  sing N N 71  
ARG   CD  HD3  sing N N 72  
ARG   NE  CZ   sing N N 73  
ARG   NE  HE   sing N N 74  
ARG   CZ  NH1  sing N N 75  
ARG   CZ  NH2  doub N N 76  
ARG   NH1 HH11 sing N N 77  
ARG   NH1 HH12 sing N N 78  
ARG   NH2 HH21 sing N N 79  
ARG   NH2 HH22 sing N N 80  
ARG   OXT HXT  sing N N 81  
ASN   N   CA   sing N N 82  
ASN   N   H    sing N N 83  
ASN   N   H2   sing N N 84  
ASN   CA  C    sing N N 85  
ASN   CA  CB   sing N N 86  
ASN   CA  HA   sing N N 87  
ASN   C   O    doub N N 88  
ASN   C   OXT  sing N N 89  
ASN   CB  CG   sing N N 90  
ASN   CB  HB2  sing N N 91  
ASN   CB  HB3  sing N N 92  
ASN   CG  OD1  doub N N 93  
ASN   CG  ND2  sing N N 94  
ASN   ND2 HD21 sing N N 95  
ASN   ND2 HD22 sing N N 96  
ASN   OXT HXT  sing N N 97  
ASP   N   CA   sing N N 98  
ASP   N   H    sing N N 99  
ASP   N   H2   sing N N 100 
ASP   CA  C    sing N N 101 
ASP   CA  CB   sing N N 102 
ASP   CA  HA   sing N N 103 
ASP   C   O    doub N N 104 
ASP   C   OXT  sing N N 105 
ASP   CB  CG   sing N N 106 
ASP   CB  HB2  sing N N 107 
ASP   CB  HB3  sing N N 108 
ASP   CG  OD1  doub N N 109 
ASP   CG  OD2  sing N N 110 
ASP   OD2 HD2  sing N N 111 
ASP   OXT HXT  sing N N 112 
CIT   C1  O1   doub N N 113 
CIT   C1  O2   sing N N 114 
CIT   C1  C2   sing N N 115 
CIT   O2  HO2  sing N N 116 
CIT   C2  C3   sing N N 117 
CIT   C2  H21  sing N N 118 
CIT   C2  H22  sing N N 119 
CIT   C3  O7   sing N N 120 
CIT   C3  C4   sing N N 121 
CIT   C3  C6   sing N N 122 
CIT   O7  HO7  sing N N 123 
CIT   C4  C5   sing N N 124 
CIT   C4  H41  sing N N 125 
CIT   C4  H42  sing N N 126 
CIT   C5  O3   doub N N 127 
CIT   C5  O4   sing N N 128 
CIT   O4  HO4  sing N N 129 
CIT   C6  O5   doub N N 130 
CIT   C6  O6   sing N N 131 
CIT   O6  HO6  sing N N 132 
CYS   N   CA   sing N N 133 
CYS   N   H    sing N N 134 
CYS   N   H2   sing N N 135 
CYS   CA  C    sing N N 136 
CYS   CA  CB   sing N N 137 
CYS   CA  HA   sing N N 138 
CYS   C   O    doub N N 139 
CYS   C   OXT  sing N N 140 
CYS   CB  SG   sing N N 141 
CYS   CB  HB2  sing N N 142 
CYS   CB  HB3  sing N N 143 
CYS   SG  HG   sing N N 144 
CYS   OXT HXT  sing N N 145 
GLN   N   CA   sing N N 146 
GLN   N   H    sing N N 147 
GLN   N   H2   sing N N 148 
GLN   CA  C    sing N N 149 
GLN   CA  CB   sing N N 150 
GLN   CA  HA   sing N N 151 
GLN   C   O    doub N N 152 
GLN   C   OXT  sing N N 153 
GLN   CB  CG   sing N N 154 
GLN   CB  HB2  sing N N 155 
GLN   CB  HB3  sing N N 156 
GLN   CG  CD   sing N N 157 
GLN   CG  HG2  sing N N 158 
GLN   CG  HG3  sing N N 159 
GLN   CD  OE1  doub N N 160 
GLN   CD  NE2  sing N N 161 
GLN   NE2 HE21 sing N N 162 
GLN   NE2 HE22 sing N N 163 
GLN   OXT HXT  sing N N 164 
GLU   N   CA   sing N N 165 
GLU   N   H    sing N N 166 
GLU   N   H2   sing N N 167 
GLU   CA  C    sing N N 168 
GLU   CA  CB   sing N N 169 
GLU   CA  HA   sing N N 170 
GLU   C   O    doub N N 171 
GLU   C   OXT  sing N N 172 
GLU   CB  CG   sing N N 173 
GLU   CB  HB2  sing N N 174 
GLU   CB  HB3  sing N N 175 
GLU   CG  CD   sing N N 176 
GLU   CG  HG2  sing N N 177 
GLU   CG  HG3  sing N N 178 
GLU   CD  OE1  doub N N 179 
GLU   CD  OE2  sing N N 180 
GLU   OE2 HE2  sing N N 181 
GLU   OXT HXT  sing N N 182 
GLY   N   CA   sing N N 183 
GLY   N   H    sing N N 184 
GLY   N   H2   sing N N 185 
GLY   CA  C    sing N N 186 
GLY   CA  HA2  sing N N 187 
GLY   CA  HA3  sing N N 188 
GLY   C   O    doub N N 189 
GLY   C   OXT  sing N N 190 
GLY   OXT HXT  sing N N 191 
HIS   N   CA   sing N N 192 
HIS   N   H    sing N N 193 
HIS   N   H2   sing N N 194 
HIS   CA  C    sing N N 195 
HIS   CA  CB   sing N N 196 
HIS   CA  HA   sing N N 197 
HIS   C   O    doub N N 198 
HIS   C   OXT  sing N N 199 
HIS   CB  CG   sing N N 200 
HIS   CB  HB2  sing N N 201 
HIS   CB  HB3  sing N N 202 
HIS   CG  ND1  sing Y N 203 
HIS   CG  CD2  doub Y N 204 
HIS   ND1 CE1  doub Y N 205 
HIS   ND1 HD1  sing N N 206 
HIS   CD2 NE2  sing Y N 207 
HIS   CD2 HD2  sing N N 208 
HIS   CE1 NE2  sing Y N 209 
HIS   CE1 HE1  sing N N 210 
HIS   NE2 HE2  sing N N 211 
HIS   OXT HXT  sing N N 212 
HOH   O   H1   sing N N 213 
HOH   O   H2   sing N N 214 
ILE   N   CA   sing N N 215 
ILE   N   H    sing N N 216 
ILE   N   H2   sing N N 217 
ILE   CA  C    sing N N 218 
ILE   CA  CB   sing N N 219 
ILE   CA  HA   sing N N 220 
ILE   C   O    doub N N 221 
ILE   C   OXT  sing N N 222 
ILE   CB  CG1  sing N N 223 
ILE   CB  CG2  sing N N 224 
ILE   CB  HB   sing N N 225 
ILE   CG1 CD1  sing N N 226 
ILE   CG1 HG12 sing N N 227 
ILE   CG1 HG13 sing N N 228 
ILE   CG2 HG21 sing N N 229 
ILE   CG2 HG22 sing N N 230 
ILE   CG2 HG23 sing N N 231 
ILE   CD1 HD11 sing N N 232 
ILE   CD1 HD12 sing N N 233 
ILE   CD1 HD13 sing N N 234 
ILE   OXT HXT  sing N N 235 
LEU   N   CA   sing N N 236 
LEU   N   H    sing N N 237 
LEU   N   H2   sing N N 238 
LEU   CA  C    sing N N 239 
LEU   CA  CB   sing N N 240 
LEU   CA  HA   sing N N 241 
LEU   C   O    doub N N 242 
LEU   C   OXT  sing N N 243 
LEU   CB  CG   sing N N 244 
LEU   CB  HB2  sing N N 245 
LEU   CB  HB3  sing N N 246 
LEU   CG  CD1  sing N N 247 
LEU   CG  CD2  sing N N 248 
LEU   CG  HG   sing N N 249 
LEU   CD1 HD11 sing N N 250 
LEU   CD1 HD12 sing N N 251 
LEU   CD1 HD13 sing N N 252 
LEU   CD2 HD21 sing N N 253 
LEU   CD2 HD22 sing N N 254 
LEU   CD2 HD23 sing N N 255 
LEU   OXT HXT  sing N N 256 
LYS   N   CA   sing N N 257 
LYS   N   H    sing N N 258 
LYS   N   H2   sing N N 259 
LYS   CA  C    sing N N 260 
LYS   CA  CB   sing N N 261 
LYS   CA  HA   sing N N 262 
LYS   C   O    doub N N 263 
LYS   C   OXT  sing N N 264 
LYS   CB  CG   sing N N 265 
LYS   CB  HB2  sing N N 266 
LYS   CB  HB3  sing N N 267 
LYS   CG  CD   sing N N 268 
LYS   CG  HG2  sing N N 269 
LYS   CG  HG3  sing N N 270 
LYS   CD  CE   sing N N 271 
LYS   CD  HD2  sing N N 272 
LYS   CD  HD3  sing N N 273 
LYS   CE  NZ   sing N N 274 
LYS   CE  HE2  sing N N 275 
LYS   CE  HE3  sing N N 276 
LYS   NZ  HZ1  sing N N 277 
LYS   NZ  HZ2  sing N N 278 
LYS   NZ  HZ3  sing N N 279 
LYS   OXT HXT  sing N N 280 
MET   N   CA   sing N N 281 
MET   N   H    sing N N 282 
MET   N   H2   sing N N 283 
MET   CA  C    sing N N 284 
MET   CA  CB   sing N N 285 
MET   CA  HA   sing N N 286 
MET   C   O    doub N N 287 
MET   C   OXT  sing N N 288 
MET   CB  CG   sing N N 289 
MET   CB  HB2  sing N N 290 
MET   CB  HB3  sing N N 291 
MET   CG  SD   sing N N 292 
MET   CG  HG2  sing N N 293 
MET   CG  HG3  sing N N 294 
MET   SD  CE   sing N N 295 
MET   CE  HE1  sing N N 296 
MET   CE  HE2  sing N N 297 
MET   CE  HE3  sing N N 298 
MET   OXT HXT  sing N N 299 
PHE   N   CA   sing N N 300 
PHE   N   H    sing N N 301 
PHE   N   H2   sing N N 302 
PHE   CA  C    sing N N 303 
PHE   CA  CB   sing N N 304 
PHE   CA  HA   sing N N 305 
PHE   C   O    doub N N 306 
PHE   C   OXT  sing N N 307 
PHE   CB  CG   sing N N 308 
PHE   CB  HB2  sing N N 309 
PHE   CB  HB3  sing N N 310 
PHE   CG  CD1  doub Y N 311 
PHE   CG  CD2  sing Y N 312 
PHE   CD1 CE1  sing Y N 313 
PHE   CD1 HD1  sing N N 314 
PHE   CD2 CE2  doub Y N 315 
PHE   CD2 HD2  sing N N 316 
PHE   CE1 CZ   doub Y N 317 
PHE   CE1 HE1  sing N N 318 
PHE   CE2 CZ   sing Y N 319 
PHE   CE2 HE2  sing N N 320 
PHE   CZ  HZ   sing N N 321 
PHE   OXT HXT  sing N N 322 
PRO   N   CA   sing N N 323 
PRO   N   CD   sing N N 324 
PRO   N   H    sing N N 325 
PRO   CA  C    sing N N 326 
PRO   CA  CB   sing N N 327 
PRO   CA  HA   sing N N 328 
PRO   C   O    doub N N 329 
PRO   C   OXT  sing N N 330 
PRO   CB  CG   sing N N 331 
PRO   CB  HB2  sing N N 332 
PRO   CB  HB3  sing N N 333 
PRO   CG  CD   sing N N 334 
PRO   CG  HG2  sing N N 335 
PRO   CG  HG3  sing N N 336 
PRO   CD  HD2  sing N N 337 
PRO   CD  HD3  sing N N 338 
PRO   OXT HXT  sing N N 339 
SER   N   CA   sing N N 340 
SER   N   H    sing N N 341 
SER   N   H2   sing N N 342 
SER   CA  C    sing N N 343 
SER   CA  CB   sing N N 344 
SER   CA  HA   sing N N 345 
SER   C   O    doub N N 346 
SER   C   OXT  sing N N 347 
SER   CB  OG   sing N N 348 
SER   CB  HB2  sing N N 349 
SER   CB  HB3  sing N N 350 
SER   OG  HG   sing N N 351 
SER   OXT HXT  sing N N 352 
THR   N   CA   sing N N 353 
THR   N   H    sing N N 354 
THR   N   H2   sing N N 355 
THR   CA  C    sing N N 356 
THR   CA  CB   sing N N 357 
THR   CA  HA   sing N N 358 
THR   C   O    doub N N 359 
THR   C   OXT  sing N N 360 
THR   CB  OG1  sing N N 361 
THR   CB  CG2  sing N N 362 
THR   CB  HB   sing N N 363 
THR   OG1 HG1  sing N N 364 
THR   CG2 HG21 sing N N 365 
THR   CG2 HG22 sing N N 366 
THR   CG2 HG23 sing N N 367 
THR   OXT HXT  sing N N 368 
TRP   N   CA   sing N N 369 
TRP   N   H    sing N N 370 
TRP   N   H2   sing N N 371 
TRP   CA  C    sing N N 372 
TRP   CA  CB   sing N N 373 
TRP   CA  HA   sing N N 374 
TRP   C   O    doub N N 375 
TRP   C   OXT  sing N N 376 
TRP   CB  CG   sing N N 377 
TRP   CB  HB2  sing N N 378 
TRP   CB  HB3  sing N N 379 
TRP   CG  CD1  doub Y N 380 
TRP   CG  CD2  sing Y N 381 
TRP   CD1 NE1  sing Y N 382 
TRP   CD1 HD1  sing N N 383 
TRP   CD2 CE2  doub Y N 384 
TRP   CD2 CE3  sing Y N 385 
TRP   NE1 CE2  sing Y N 386 
TRP   NE1 HE1  sing N N 387 
TRP   CE2 CZ2  sing Y N 388 
TRP   CE3 CZ3  doub Y N 389 
TRP   CE3 HE3  sing N N 390 
TRP   CZ2 CH2  doub Y N 391 
TRP   CZ2 HZ2  sing N N 392 
TRP   CZ3 CH2  sing Y N 393 
TRP   CZ3 HZ3  sing N N 394 
TRP   CH2 HH2  sing N N 395 
TRP   OXT HXT  sing N N 396 
TYR   N   CA   sing N N 397 
TYR   N   H    sing N N 398 
TYR   N   H2   sing N N 399 
TYR   CA  C    sing N N 400 
TYR   CA  CB   sing N N 401 
TYR   CA  HA   sing N N 402 
TYR   C   O    doub N N 403 
TYR   C   OXT  sing N N 404 
TYR   CB  CG   sing N N 405 
TYR   CB  HB2  sing N N 406 
TYR   CB  HB3  sing N N 407 
TYR   CG  CD1  doub Y N 408 
TYR   CG  CD2  sing Y N 409 
TYR   CD1 CE1  sing Y N 410 
TYR   CD1 HD1  sing N N 411 
TYR   CD2 CE2  doub Y N 412 
TYR   CD2 HD2  sing N N 413 
TYR   CE1 CZ   doub Y N 414 
TYR   CE1 HE1  sing N N 415 
TYR   CE2 CZ   sing Y N 416 
TYR   CE2 HE2  sing N N 417 
TYR   CZ  OH   sing N N 418 
TYR   OH  HH   sing N N 419 
TYR   OXT HXT  sing N N 420 
VAL   N   CA   sing N N 421 
VAL   N   H    sing N N 422 
VAL   N   H2   sing N N 423 
VAL   CA  C    sing N N 424 
VAL   CA  CB   sing N N 425 
VAL   CA  HA   sing N N 426 
VAL   C   O    doub N N 427 
VAL   C   OXT  sing N N 428 
VAL   CB  CG1  sing N N 429 
VAL   CB  CG2  sing N N 430 
VAL   CB  HB   sing N N 431 
VAL   CG1 HG11 sing N N 432 
VAL   CG1 HG12 sing N N 433 
VAL   CG1 HG13 sing N N 434 
VAL   CG2 HG21 sing N N 435 
VAL   CG2 HG22 sing N N 436 
VAL   CG2 HG23 sing N N 437 
VAL   OXT HXT  sing N N 438 
# 
_pdbx_audit_support.funding_organization   'National Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           82104009 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   3jyj 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'C 1 2 1' 
_space_group.name_Hall        'C 2y' 
_space_group.IT_number        5 
_space_group.crystal_system   monoclinic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9INP 
_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]   0.008446 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.001622 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.027679 
_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]   0.019715 
_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.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 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   . GLU   A 1 9   ? 1.44296  24.52889  31.10698  1.000 30.98255 ? 51  GLU   A N   1 
ATOM   2    C CA  . GLU   A 1 9   ? 1.60133  23.07998  30.97379  1.000 39.97863 ? 51  GLU   A CA  1 
ATOM   3    C C   . GLU   A 1 9   ? 0.25946  22.35824  31.04034  1.000 44.38965 ? 51  GLU   A C   1 
ATOM   4    O O   . GLU   A 1 9   ? -0.55274 22.64183  31.92163  1.000 45.05847 ? 51  GLU   A O   1 
ATOM   5    C CB  . GLU   A 1 9   ? 2.52773  22.52356  32.06264  1.000 39.29267 ? 51  GLU   A CB  1 
ATOM   6    C CG  . GLU   A 1 9   ? 2.36003  21.02065  32.30091  1.000 35.85883 ? 51  GLU   A CG  1 
ATOM   7    C CD  . GLU   A 1 9   ? 3.54004  20.39447  33.03282  1.000 40.27460 ? 51  GLU   A CD  1 
ATOM   8    O OE1 . GLU   A 1 9   ? 4.64820  20.98441  32.98585  1.000 29.75992 ? 51  GLU   A OE1 1 
ATOM   9    O OE2 . GLU   A 1 9   ? 3.35822  19.30822  33.64372  1.000 30.57564 ? 51  GLU   A OE2 1 
ATOM   10   N N   . PRO   A 1 10  ? 0.03584  21.41761  30.12486  1.000 43.80655 ? 52  PRO   A N   1 
ATOM   11   C CA  . PRO   A 1 10  ? -1.20733 20.63970  30.13784  1.000 42.95600 ? 52  PRO   A CA  1 
ATOM   12   C C   . PRO   A 1 10  ? -1.10792 19.44476  31.08175  1.000 36.80331 ? 52  PRO   A C   1 
ATOM   13   O O   . PRO   A 1 10  ? -0.02839 19.05701  31.53121  1.000 38.02138 ? 52  PRO   A O   1 
ATOM   14   C CB  . PRO   A 1 10  ? -1.34709 20.18969  28.68121  1.000 36.68710 ? 52  PRO   A CB  1 
ATOM   15   C CG  . PRO   A 1 10  ? 0.07573  20.07185  28.19336  1.000 29.61835 ? 52  PRO   A CG  1 
ATOM   16   C CD  . PRO   A 1 10  ? 0.92489  21.02539  29.01424  1.000 31.91670 ? 52  PRO   A CD  1 
ATOM   17   N N   . ALA   A 1 11  ? -2.27431 18.86478  31.38714  1.000 30.87878 ? 53  ALA   A N   1 
ATOM   18   C CA  . ALA   A 1 11  ? -2.30237 17.69214  32.25825  1.000 34.94570 ? 53  ALA   A CA  1 
ATOM   19   C C   . ALA   A 1 11  ? -1.61018 16.50674  31.60792  1.000 31.82037 ? 53  ALA   A C   1 
ATOM   20   O O   . ALA   A 1 11  ? -1.03814 15.66052  32.30492  1.000 31.33985 ? 53  ALA   A O   1 
ATOM   21   C CB  . ALA   A 1 11  ? -3.74365 17.31954  32.61562  1.000 35.39331 ? 53  ALA   A CB  1 
ATOM   22   N N   . ARG   A 1 12  ? -1.66021 16.42856  30.27971  1.000 31.25343 ? 54  ARG   A N   1 
ATOM   23   C CA  . ARG   A 1 12  ? -1.05311 15.34601  29.52711  1.000 27.59669 ? 54  ARG   A CA  1 
ATOM   24   C C   . ARG   A 1 12  ? -0.48713 15.89749  28.23014  1.000 23.62604 ? 54  ARG   A C   1 
ATOM   25   O O   . ARG   A 1 12  ? -0.95513 16.91156  27.70934  1.000 27.04944 ? 54  ARG   A O   1 
ATOM   26   C CB  . ARG   A 1 12  ? -2.06057 14.22511  29.23480  1.000 26.54065 ? 54  ARG   A CB  1 
ATOM   27   C CG  . ARG   A 1 12  ? -2.66803 13.60091  30.49862  1.000 28.24736 ? 54  ARG   A CG  1 
ATOM   28   C CD  . ARG   A 1 12  ? -3.13510 12.18240  30.25249  1.000 25.56879 ? 54  ARG   A CD  1 
ATOM   29   N NE  . ARG   A 1 12  ? -4.27645 12.15614  29.34577  1.000 28.26792 ? 54  ARG   A NE  1 
ATOM   30   C CZ  . ARG   A 1 12  ? -4.74602 11.05661  28.77821  1.000 25.15467 ? 54  ARG   A CZ  1 
ATOM   31   N NH1 . ARG   A 1 12  ? -4.20228 9.87599   29.01426  1.000 24.81829 ? 54  ARG   A NH1 1 
ATOM   32   N NH2 . ARG   A 1 12  ? -5.78439 11.14497  27.95234  1.000 25.59466 ? 54  ARG   A NH2 1 
ATOM   33   N N   . VAL   A 1 13  ? 0.55071  15.23577  27.73399  1.000 18.80351 ? 55  VAL   A N   1 
ATOM   34   C CA  . VAL   A 1 13  ? 1.08677  15.50014  26.40949  1.000 22.81075 ? 55  VAL   A CA  1 
ATOM   35   C C   . VAL   A 1 13  ? 1.04263  14.19351  25.62884  1.000 19.45512 ? 55  VAL   A C   1 
ATOM   36   O O   . VAL   A 1 13  ? 0.94383  13.10206  26.19617  1.000 15.17589 ? 55  VAL   A O   1 
ATOM   37   C CB  . VAL   A 1 13  ? 2.52914  16.06506  26.44455  1.000 26.26860 ? 55  VAL   A CB  1 
ATOM   38   C CG1 . VAL   A 1 13  ? 2.57213  17.40690  27.14470  1.000 19.99702 ? 55  VAL   A CG1 1 
ATOM   39   C CG2 . VAL   A 1 13  ? 3.48874  15.07342  27.12032  1.000 16.38905 ? 55  VAL   A CG2 1 
ATOM   40   N N   . ARG   A 1 14  ? 1.11484  14.31562  24.30985  1.000 18.16751 ? 56  ARG   A N   1 
ATOM   41   C CA  . ARG   A 1 14  ? 1.26116  13.16263  23.43495  1.000 23.38736 ? 56  ARG   A CA  1 
ATOM   42   C C   . ARG   A 1 14  ? 2.57928  13.29061  22.68373  1.000 16.53690 ? 56  ARG   A C   1 
ATOM   43   O O   . ARG   A 1 14  ? 2.88864  14.34722  22.12215  1.000 16.82791 ? 56  ARG   A O   1 
ATOM   44   C CB  . ARG   A 1 14  ? 0.07849  13.03395  22.46749  1.000 24.07869 ? 56  ARG   A CB  1 
ATOM   45   C CG  . ARG   A 1 14  ? 0.29156  12.04340  21.34264  1.000 21.37485 ? 56  ARG   A CG  1 
ATOM   46   C CD  . ARG   A 1 14  ? -0.92083 11.99033  20.45022  1.000 18.04772 ? 56  ARG   A CD  1 
ATOM   47   N NE  . ARG   A 1 14  ? -1.17823 10.65613  19.92279  1.000 25.30730 ? 56  ARG   A NE  1 
ATOM   48   C CZ  . ARG   A 1 14  ? -1.99406 10.40829  18.90842  1.000 24.05650 ? 56  ARG   A CZ  1 
ATOM   49   N NH1 . ARG   A 1 14  ? -2.70832 11.37051  18.35194  1.000 28.10646 ? 56  ARG   A NH1 1 
ATOM   50   N NH2 . ARG   A 1 14  ? -2.09986 9.16448   18.44514  1.000 23.12741 ? 56  ARG   A NH2 1 
ATOM   51   N N   . CYS   A 1 15  ? 3.35681  12.22307  22.69406  1.000 13.68242 ? 57  CYS   A N   1 
ATOM   52   C CA  . CYS   A 1 15  ? 4.67536  12.22431  22.09181  1.000 13.82151 ? 57  CYS   A CA  1 
ATOM   53   C C   . CYS   A 1 15  ? 4.85644  10.96640  21.26303  1.000 13.25605 ? 57  CYS   A C   1 
ATOM   54   O O   . CYS   A 1 15  ? 4.27775  9.91313   21.55011  1.000 15.73990 ? 57  CYS   A O   1 
ATOM   55   C CB  . CYS   A 1 15  ? 5.77822  12.28749  23.14941  1.000 11.37573 ? 57  CYS   A CB  1 
ATOM   56   S SG  . CYS   A 1 15  ? 5.86979  13.84169  24.02835  1.000 16.39294 ? 57  CYS   A SG  1 
ATOM   57   N N   . SER   A 1 16  ? 5.64719  11.09555  20.22009  1.000 12.23321 ? 58  SER   A N   1 
ATOM   58   C CA  . SER   A 1 16  ? 6.26522  9.94727   19.59016  1.000 14.46511 ? 58  SER   A CA  1 
ATOM   59   C C   . SER   A 1 16  ? 7.71937  9.90880   20.03906  1.000 13.28124 ? 58  SER   A C   1 
ATOM   60   O O   . SER   A 1 16  ? 8.28636  10.92514  20.45356  1.000 9.62124  ? 58  SER   A O   1 
ATOM   61   C CB  . SER   A 1 16  ? 6.16176  10.03053  18.05924  1.000 13.92935 ? 58  SER   A CB  1 
ATOM   62   O OG  . SER   A 1 16  ? 4.81582  9.93035   17.61270  1.000 11.26484 ? 58  SER   A OG  1 
ATOM   63   N N   . HIS   A 1 17  ? 8.32377  8.72628   19.96254  1.000 14.74047 ? 59  HIS   A N   1 
ATOM   64   C CA  . HIS   A 1 17  ? 9.74503  8.62764   20.27911  1.000 18.29438 ? 59  HIS   A CA  1 
ATOM   65   C C   . HIS   A 1 17  ? 10.38810 7.51069   19.46412  1.000 11.53575 ? 59  HIS   A C   1 
ATOM   66   O O   . HIS   A 1 17  ? 9.72401  6.60168   18.96446  1.000 7.50773  ? 59  HIS   A O   1 
ATOM   67   C CB  . HIS   A 1 17  ? 9.98865  8.40517   21.78827  1.000 9.29581  ? 59  HIS   A CB  1 
ATOM   68   C CG  . HIS   A 1 17  ? 9.74534  6.99459   22.22349  1.000 12.77225 ? 59  HIS   A CG  1 
ATOM   69   N ND1 . HIS   A 1 17  ? 10.57188 6.32944   23.10305  1.000 10.17565 ? 59  HIS   A ND1 1 
ATOM   70   C CD2 . HIS   A 1 17  ? 8.77916  6.11037   21.86901  1.000 8.16529  ? 59  HIS   A CD2 1 
ATOM   71   C CE1 . HIS   A 1 17  ? 10.11601 5.10210   23.28213  1.000 11.03981 ? 59  HIS   A CE1 1 
ATOM   72   N NE2 . HIS   A 1 17  ? 9.03174  4.94425   22.54258  1.000 9.31893  ? 59  HIS   A NE2 1 
ATOM   73   N N   . LEU   A 1 18  ? 11.70104 7.62705   19.32197  1.000 10.04281 ? 60  LEU   A N   1 
ATOM   74   C CA  . LEU   A 1 18  ? 12.57543 6.58618   18.81899  1.000 7.75272  ? 60  LEU   A CA  1 
ATOM   75   C C   . LEU   A 1 18  ? 13.56386 6.26485   19.93095  1.000 9.76925  ? 60  LEU   A C   1 
ATOM   76   O O   . LEU   A 1 18  ? 14.25262 7.16440   20.42829  1.000 10.51922 ? 60  LEU   A O   1 
ATOM   77   C CB  . LEU   A 1 18  ? 13.31405 7.04887   17.55593  1.000 9.51703  ? 60  LEU   A CB  1 
ATOM   78   C CG  . LEU   A 1 18  ? 14.23122 6.08285   16.78124  1.000 10.07364 ? 60  LEU   A CG  1 
ATOM   79   C CD1 . LEU   A 1 18  ? 14.52211 6.64135   15.38425  1.000 7.41636  ? 60  LEU   A CD1 1 
ATOM   80   C CD2 . LEU   A 1 18  ? 15.53831 5.74623   17.52566  1.000 4.32726  ? 60  LEU   A CD2 1 
ATOM   81   N N   . LEU   A 1 19  ? 13.63959 4.99213   20.30744  1.000 7.06330  ? 61  LEU   A N   1 
ATOM   82   C CA  . LEU   A 1 19  ? 14.59481 4.50776   21.29174  1.000 7.93442  ? 61  LEU   A CA  1 
ATOM   83   C C   . LEU   A 1 19  ? 15.70252 3.70352   20.61453  1.000 7.93556  ? 61  LEU   A C   1 
ATOM   84   O O   . LEU   A 1 19  ? 15.43475 2.86801   19.74579  1.000 8.86903  ? 61  LEU   A O   1 
ATOM   85   C CB  . LEU   A 1 19  ? 13.87950 3.65072   22.34097  1.000 7.47740  ? 61  LEU   A CB  1 
ATOM   86   C CG  . LEU   A 1 19  ? 14.71848 2.81602   23.29543  1.000 8.10086  ? 61  LEU   A CG  1 
ATOM   87   C CD1 . LEU   A 1 19  ? 15.41931 3.69327   24.32473  1.000 6.24372  ? 61  LEU   A CD1 1 
ATOM   88   C CD2 . LEU   A 1 19  ? 13.81127 1.79561   23.96161  1.000 9.27791  ? 61  LEU   A CD2 1 
ATOM   89   N N   . VAL   A 1 20  ? 16.94959 3.96945   20.99873  1.000 9.00599  ? 62  VAL   A N   1 
ATOM   90   C CA  . VAL   A 1 20  ? 18.08582 3.11514   20.65245  1.000 9.66931  ? 62  VAL   A CA  1 
ATOM   91   C C   . VAL   A 1 20  ? 18.59476 2.50234   21.94933  1.000 6.87190  ? 62  VAL   A C   1 
ATOM   92   O O   . VAL   A 1 20  ? 19.09680 3.21557   22.82516  1.000 9.28458  ? 62  VAL   A O   1 
ATOM   93   C CB  . VAL   A 1 20  ? 19.20497 3.88262   19.92338  1.000 7.24832  ? 62  VAL   A CB  1 
ATOM   94   C CG1 . VAL   A 1 20  ? 20.37475 2.94694   19.60225  1.000 8.30791  ? 62  VAL   A CG1 1 
ATOM   95   C CG2 . VAL   A 1 20  ? 18.69163 4.52691   18.63547  1.000 4.93228  ? 62  VAL   A CG2 1 
ATOM   96   N N   . LYS   A 1 21  ? 18.45315 1.19042   22.08835  1.000 8.37750  ? 63  LYS   A N   1 
ATOM   97   C CA  . LYS   A 1 21  ? 18.96405 0.49558   23.26937  1.000 11.21144 ? 63  LYS   A CA  1 
ATOM   98   C C   . LYS   A 1 21  ? 20.45551 0.23973   23.12743  1.000 9.06275  ? 63  LYS   A C   1 
ATOM   99   O O   . LYS   A 1 21  ? 21.02793 0.37851   22.04487  1.000 12.22289 ? 63  LYS   A O   1 
ATOM   100  C CB  . LYS   A 1 21  ? 18.24656 -0.83933  23.48961  1.000 9.63575  ? 63  LYS   A CB  1 
ATOM   101  C CG  . LYS   A 1 21  ? 16.84209 -0.68149  23.99342  1.000 8.67477  ? 63  LYS   A CG  1 
ATOM   102  C CD  . LYS   A 1 21  ? 16.21210 -1.99405  24.25287  1.000 11.85285 ? 63  LYS   A CD  1 
ATOM   103  C CE  . LYS   A 1 21  ? 14.99709 -1.78983  25.10943  1.000 14.24310 ? 63  LYS   A CE  1 
ATOM   104  N NZ  . LYS   A 1 21  ? 14.37554 -3.07493  25.41957  1.000 15.92244 ? 63  LYS   A NZ  1 
ATOM   105  N N   . HIS   A 1 22  ? 21.08853 -0.14093  24.24019  1.000 7.42874  ? 64  HIS   A N   1 
ATOM   106  C CA  . HIS   A 1 22  ? 22.48255 -0.57726  24.22994  1.000 9.72565  ? 64  HIS   A CA  1 
ATOM   107  C C   . HIS   A 1 22  ? 22.61752 -1.78363  25.15879  1.000 11.10906 ? 64  HIS   A C   1 
ATOM   108  O O   . HIS   A 1 22  ? 21.64730 -2.22169  25.78826  1.000 9.51975  ? 64  HIS   A O   1 
ATOM   109  C CB  . HIS   A 1 22  ? 23.43617 0.56193   24.60707  1.000 8.12185  ? 64  HIS   A CB  1 
ATOM   110  C CG  . HIS   A 1 22  ? 23.08414 1.25332   25.89329  1.000 16.88771 ? 64  HIS   A CG  1 
ATOM   111  N ND1 . HIS   A 1 22  ? 23.39678 0.73108   27.13193  1.000 14.85387 ? 64  HIS   A ND1 1 
ATOM   112  C CD2 . HIS   A 1 22  ? 22.46774 2.43758   26.13100  1.000 11.27003 ? 64  HIS   A CD2 1 
ATOM   113  C CE1 . HIS   A 1 22  ? 22.98702 1.56121   28.07343  1.000 11.01049 ? 64  HIS   A CE1 1 
ATOM   114  N NE2 . HIS   A 1 22  ? 22.42010 2.60250   27.49231  1.000 9.55908  ? 64  HIS   A NE2 1 
ATOM   115  N N   . SER   A 1 23  ? 23.82541 -2.35426  25.21830  1.000 10.34775 ? 65  SER   A N   1 
ATOM   116  C CA  . SER   A 1 23  ? 24.03239 -3.57272  26.00787  1.000 15.84150 ? 65  SER   A CA  1 
ATOM   117  C C   . SER   A 1 23  ? 23.90918 -3.36590  27.51711  1.000 13.68737 ? 65  SER   A C   1 
ATOM   118  O O   . SER   A 1 23  ? 23.95007 -4.34935  28.25911  1.000 11.17905 ? 65  SER   A O   1 
ATOM   119  C CB  . SER   A 1 23  ? 25.40484 -4.17652  25.71570  1.000 10.59242 ? 65  SER   A CB  1 
ATOM   120  O OG  . SER   A 1 23  ? 26.42552 -3.21148  25.90288  1.000 14.48179 ? 65  SER   A OG  1 
ATOM   121  N N   . GLN   A 1 24  ? 23.78496 -2.13282  27.99580  1.000 11.78709 ? 66  GLN   A N   1 
ATOM   122  C CA  . GLN   A 1 24  ? 23.63237 -1.88428  29.42153  1.000 15.24412 ? 66  GLN   A CA  1 
ATOM   123  C C   . GLN   A 1 24  ? 22.26905 -1.28374  29.74033  1.000 14.33722 ? 66  GLN   A C   1 
ATOM   124  O O   . GLN   A 1 24  ? 22.07181 -0.73998  30.83325  1.000 10.25523 ? 66  GLN   A O   1 
ATOM   125  C CB  . GLN   A 1 24  ? 24.76279 -0.98038  29.91744  1.000 13.84587 ? 66  GLN   A CB  1 
ATOM   126  C CG  . GLN   A 1 24  ? 26.12990 -1.48773  29.54442  1.000 10.21403 ? 66  GLN   A CG  1 
ATOM   127  C CD  . GLN   A 1 24  ? 27.25166 -0.66480  30.14556  1.000 15.04144 ? 66  GLN   A CD  1 
ATOM   128  O OE1 . GLN   A 1 24  ? 27.69805 0.32665   29.55482  1.000 16.42614 ? 66  GLN   A OE1 1 
ATOM   129  N NE2 . GLN   A 1 24  ? 27.73298 -1.08176  31.32125  1.000 17.65279 ? 66  GLN   A NE2 1 
ATOM   130  N N   . SER   A 1 25  ? 21.34071 -1.34863  28.78988  1.000 14.45508 ? 67  SER   A N   1 
ATOM   131  C CA  . SER   A 1 25  ? 19.96655 -0.93598  28.99656  1.000 12.98680 ? 67  SER   A CA  1 
ATOM   132  C C   . SER   A 1 25  ? 19.28978 -1.85140  30.00513  1.000 14.97649 ? 67  SER   A C   1 
ATOM   133  O O   . SER   A 1 25  ? 19.73724 -2.96574  30.26909  1.000 9.98859  ? 67  SER   A O   1 
ATOM   134  C CB  . SER   A 1 25  ? 19.18383 -0.97411  27.68303  1.000 9.03980  ? 67  SER   A CB  1 
ATOM   135  O OG  . SER   A 1 25  ? 19.77992 -0.15532  26.69969  1.000 12.56754 ? 67  SER   A OG  1 
ATOM   136  N N   . ARG   A 1 26  ? 18.17462 -1.35866  30.54499  1.000 20.46609 ? 68  ARG   A N   1 
ATOM   137  C CA  . ARG   A 1 26  ? 17.35777 -2.12323  31.48031  1.000 23.60048 ? 68  ARG   A CA  1 
ATOM   138  C C   . ARG   A 1 26  ? 17.02303 -3.51118  30.93045  1.000 30.39510 ? 68  ARG   A C   1 
ATOM   139  O O   . ARG   A 1 26  ? 17.24328 -4.52774  31.60243  1.000 30.59408 ? 68  ARG   A O   1 
ATOM   140  C CB  . ARG   A 1 26  ? 16.09091 -1.31966  31.79515  1.000 25.69563 ? 68  ARG   A CB  1 
ATOM   141  C CG  . ARG   A 1 26  ? 15.41850 -1.67266  33.09360  1.000 30.52868 ? 68  ARG   A CG  1 
ATOM   142  C CD  . ARG   A 1 26  ? 13.91300 -1.47103  33.03380  1.000 40.76864 ? 68  ARG   A CD  1 
ATOM   143  N NE  . ARG   A 1 26  ? 13.26632 -2.16228  34.14360  1.000 56.33371 ? 68  ARG   A NE  1 
ATOM   144  C CZ  . ARG   A 1 26  ? 13.24600 -1.71950  35.39425  1.000 48.56188 ? 68  ARG   A CZ  1 
ATOM   145  N NH1 . ARG   A 1 26  ? 13.81709 -0.57330  35.73528  1.000 48.00895 ? 68  ARG   A NH1 1 
ATOM   146  N NH2 . ARG   A 1 26  ? 12.65487 -2.45295  36.32994  1.000 48.27292 ? 68  ARG   A NH2 1 
ATOM   147  N N   . ARG   A 1 27  ? 16.49753 -3.57592  29.70721  1.000 20.73263 ? 69  ARG   A N   1 
ATOM   148  C CA  . ARG   A 1 27  ? 16.26939 -4.84930  29.02528  1.000 21.63995 ? 69  ARG   A CA  1 
ATOM   149  C C   . ARG   A 1 27  ? 17.00506 -4.83419  27.69319  1.000 20.91609 ? 69  ARG   A C   1 
ATOM   150  O O   . ARG   A 1 27  ? 16.50739 -4.26498  26.70678  1.000 17.17125 ? 69  ARG   A O   1 
ATOM   151  C CB  . ARG   A 1 27  ? 14.78844 -5.14096  28.81367  1.000 29.18946 ? 69  ARG   A CB  1 
ATOM   152  C CG  . ARG   A 1 27  ? 14.51066 -6.64551  28.75893  1.000 41.60282 ? 69  ARG   A CG  1 
ATOM   153  C CD  . ARG   A 1 27  ? 13.30710 -7.02969  27.91067  1.000 47.61703 ? 69  ARG   A CD  1 
ATOM   154  N NE  . ARG   A 1 27  ? 12.16832 -7.42464  28.73454  1.000 70.89005 ? 69  ARG   A NE  1 
ATOM   155  C CZ  . ARG   A 1 27  ? 11.95671 -8.65614  29.18392  1.000 73.51759 ? 69  ARG   A CZ  1 
ATOM   156  N NH1 . ARG   A 1 27  ? 12.81391 -9.63843  28.94364  1.000 59.87120 ? 69  ARG   A NH1 1 
ATOM   157  N NH2 . ARG   A 1 27  ? 10.86842 -8.90407  29.91036  1.000 68.72727 ? 69  ARG   A NH2 1 
ATOM   158  N N   . PRO   A 1 28  ? 18.17945 -5.44046  27.61821  1.000 24.20666 ? 70  PRO   A N   1 
ATOM   159  C CA  . PRO   A 1 28  ? 18.98229 -5.40369  26.38771  1.000 16.48495 ? 70  PRO   A CA  1 
ATOM   160  C C   . PRO   A 1 28  ? 18.49459 -6.34670  25.27997  1.000 13.43868 ? 70  PRO   A C   1 
ATOM   161  O O   . PRO   A 1 28  ? 19.27895 -7.08035  24.67143  1.000 12.43206 ? 70  PRO   A O   1 
ATOM   162  C CB  . PRO   A 1 28  ? 20.38551 -5.76683  26.88626  1.000 13.83543 ? 70  PRO   A CB  1 
ATOM   163  C CG  . PRO   A 1 28  ? 20.18139 -6.52096  28.17453  1.000 10.96673 ? 70  PRO   A CG  1 
ATOM   164  C CD  . PRO   A 1 28  ? 18.89822 -6.03453  28.76571  1.000 14.30673 ? 70  PRO   A CD  1 
ATOM   165  N N   . SER   A 1 29  ? 17.19224 -6.29411  24.98817  1.000 11.67640 ? 71  SER   A N   1 
ATOM   166  C CA  . SER   A 1 29  ? 16.63142 -6.94620  23.80870  1.000 13.30781 ? 71  SER   A CA  1 
ATOM   167  C C   . SER   A 1 29  ? 15.47839 -6.10174  23.28247  1.000 11.67458 ? 71  SER   A C   1 
ATOM   168  O O   . SER   A 1 29  ? 14.93884 -5.26695  24.00435  1.000 12.59125 ? 71  SER   A O   1 
ATOM   169  C CB  . SER   A 1 29  ? 16.16046 -8.36669  24.12788  1.000 10.82556 ? 71  SER   A CB  1 
ATOM   170  O OG  . SER   A 1 29  ? 15.01905 -8.33134  24.95778  1.000 27.14828 ? 71  SER   A OG  1 
ATOM   171  N N   . SER   A 1 30  ? 15.09376 -6.31718  22.01861  1.000 10.77724 ? 72  SER   A N   1 
ATOM   172  C CA  . SER   A 1 30  ? 13.94277 -5.60552  21.46192  1.000 10.75816 ? 72  SER   A CA  1 
ATOM   173  C C   . SER   A 1 30  ? 13.21411 -6.48122  20.44397  1.000 13.19206 ? 72  SER   A C   1 
ATOM   174  O O   . SER   A 1 30  ? 13.59815 -7.62428  20.18502  1.000 16.24676 ? 72  SER   A O   1 
ATOM   175  C CB  . SER   A 1 30  ? 14.36207 -4.27203  20.83228  1.000 11.60710 ? 72  SER   A CB  1 
ATOM   176  O OG  . SER   A 1 30  ? 15.04557 -4.44116  19.60562  1.000 9.53916  ? 72  SER   A OG  1 
ATOM   177  N N   . TRP   A 1 31  ? 12.13926 -5.93056  19.86285  1.000 13.58109 ? 73  TRP   A N   1 
ATOM   178  C CA  . TRP   A 1 31  ? 11.40386 -6.66798  18.83393  1.000 18.19240 ? 73  TRP   A CA  1 
ATOM   179  C C   . TRP   A 1 31  ? 12.27833 -6.94666  17.62483  1.000 15.80669 ? 73  TRP   A C   1 
ATOM   180  O O   . TRP   A 1 31  ? 12.12428 -7.98033  16.97139  1.000 20.46459 ? 73  TRP   A O   1 
ATOM   181  C CB  . TRP   A 1 31  ? 10.15492 -5.89819  18.38135  1.000 12.03153 ? 73  TRP   A CB  1 
ATOM   182  C CG  . TRP   A 1 31  ? 10.48339 -4.58266  17.70173  1.000 15.03997 ? 73  TRP   A CG  1 
ATOM   183  C CD1 . TRP   A 1 31  ? 10.67214 -3.38353  18.31161  1.000 12.86439 ? 73  TRP   A CD1 1 
ATOM   184  C CD2 . TRP   A 1 31  ? 10.67336 -4.34636  16.29147  1.000 14.86011 ? 73  TRP   A CD2 1 
ATOM   185  N NE1 . TRP   A 1 31  ? 10.96923 -2.41482  17.38165  1.000 9.30180  ? 73  TRP   A NE1 1 
ATOM   186  C CE2 . TRP   A 1 31  ? 10.97559 -2.97730  16.13487  1.000 11.98376 ? 73  TRP   A CE2 1 
ATOM   187  C CE3 . TRP   A 1 31  ? 10.61265 -5.15717  15.14874  1.000 14.26355 ? 73  TRP   A CE3 1 
ATOM   188  C CZ2 . TRP   A 1 31  ? 11.21305 -2.39337  14.87675  1.000 12.66732 ? 73  TRP   A CZ2 1 
ATOM   189  C CZ3 . TRP   A 1 31  ? 10.86197 -4.57663  13.90076  1.000 14.49854 ? 73  TRP   A CZ3 1 
ATOM   190  C CH2 . TRP   A 1 31  ? 11.15717 -3.20816  13.77964  1.000 10.95644 ? 73  TRP   A CH2 1 
ATOM   191  N N   . ARG   A 1 32  ? 13.18750 -6.03696  17.30148  1.000 14.14988 ? 74  ARG   A N   1 
ATOM   192  C CA  . ARG   A 1 32  ? 13.95509 -6.13935  16.07200  1.000 16.78653 ? 74  ARG   A CA  1 
ATOM   193  C C   . ARG   A 1 32  ? 15.33048 -6.76007  16.28285  1.000 16.39783 ? 74  ARG   A C   1 
ATOM   194  O O   . ARG   A 1 32  ? 16.05191 -6.97402  15.30417  1.000 16.29466 ? 74  ARG   A O   1 
ATOM   195  C CB  . ARG   A 1 32  ? 14.09180 -4.75412  15.41827  1.000 12.44995 ? 74  ARG   A CB  1 
ATOM   196  C CG  . ARG   A 1 32  ? 14.86177 -3.75835  16.26697  1.000 14.48758 ? 74  ARG   A CG  1 
ATOM   197  C CD  . ARG   A 1 32  ? 14.97179 -2.39277  15.62356  1.000 13.34367 ? 74  ARG   A CD  1 
ATOM   198  N NE  . ARG   A 1 32  ? 15.50164 -2.44675  14.26601  1.000 18.05867 ? 74  ARG   A NE  1 
ATOM   199  C CZ  . ARG   A 1 32  ? 16.75158 -2.75926  13.95115  1.000 20.24143 ? 74  ARG   A CZ  1 
ATOM   200  N NH1 . ARG   A 1 32  ? 17.64901 -3.04711  14.88294  1.000 14.85915 ? 74  ARG   A NH1 1 
ATOM   201  N NH2 . ARG   A 1 32  ? 17.11138 -2.77995  12.66658  1.000 18.51989 ? 74  ARG   A NH2 1 
ATOM   202  N N   . GLN   A 1 33  ? 15.70906 -7.07553  17.51813  1.000 11.69217 ? 75  GLN   A N   1 
ATOM   203  C CA  . GLN   A 1 33  ? 17.03574 -7.64378  17.73857  1.000 12.45498 ? 75  GLN   A CA  1 
ATOM   204  C C   . GLN   A 1 33  ? 17.03484 -8.41018  19.05128  1.000 14.12939 ? 75  GLN   A C   1 
ATOM   205  O O   . GLN   A 1 33  ? 16.79781 -7.81405  20.11382  1.000 15.30930 ? 75  GLN   A O   1 
ATOM   206  C CB  . GLN   A 1 33  ? 18.06963 -6.53006  17.73913  1.000 13.25739 ? 75  GLN   A CB  1 
ATOM   207  C CG  . GLN   A 1 33  ? 19.49248 -6.97858  17.83781  1.000 8.76503  ? 75  GLN   A CG  1 
ATOM   208  C CD  . GLN   A 1 33  ? 20.43256 -5.80497  17.77652  1.000 14.60269 ? 75  GLN   A CD  1 
ATOM   209  O OE1 . GLN   A 1 33  ? 20.20762 -4.75904  18.41496  1.000 13.26859 ? 75  GLN   A OE1 1 
ATOM   210  N NE2 . GLN   A 1 33  ? 21.48300 -5.94911  16.99226  1.000 11.41320 ? 75  GLN   A NE2 1 
ATOM   211  N N   . GLU   A 1 34  ? 17.31682 -9.71957  18.99207  1.000 11.68163 ? 76  GLU   A N   1 
ATOM   212  C CA  . GLU   A 1 34  ? 17.11500 -10.54725 20.18345  1.000 19.95041 ? 76  GLU   A CA  1 
ATOM   213  C C   . GLU   A 1 34  ? 18.11323 -10.22932 21.29513  1.000 15.49931 ? 76  GLU   A C   1 
ATOM   214  O O   . GLU   A 1 34  ? 17.75972 -10.30442 22.47494  1.000 18.26351 ? 76  GLU   A O   1 
ATOM   215  C CB  . GLU   A 1 34  ? 17.15742 -12.03467 19.82962  1.000 20.36153 ? 76  GLU   A CB  1 
ATOM   216  C CG  . GLU   A 1 34  ? 18.52746 -12.67890 19.84808  1.000 26.63086 ? 76  GLU   A CG  1 
ATOM   217  C CD  . GLU   A 1 34  ? 18.60995 -13.88915 18.92917  1.000 34.56058 ? 76  GLU   A CD  1 
ATOM   218  O OE1 . GLU   A 1 34  ? 17.68872 -14.07243 18.09263  1.000 30.83046 ? 76  GLU   A OE1 1 
ATOM   219  O OE2 . GLU   A 1 34  ? 19.59395 -14.65812 19.05265  1.000 34.24502 ? 76  GLU   A OE2 1 
ATOM   220  N N   . GLN   A 1 35  ? 19.34613 -9.86527  20.95708  1.000 15.98863 ? 77  GLN   A N   1 
ATOM   221  C CA  . GLN   A 1 35  ? 20.32151 -9.42757  21.94769  1.000 12.47454 ? 77  GLN   A CA  1 
ATOM   222  C C   . GLN   A 1 35  ? 20.93809 -8.11227  21.48126  1.000 14.67432 ? 77  GLN   A C   1 
ATOM   223  O O   . GLN   A 1 35  ? 21.52977 -8.05277  20.39728  1.000 17.46737 ? 77  GLN   A O   1 
ATOM   224  C CB  . GLN   A 1 35  ? 21.39907 -10.49488 22.15958  1.000 11.24429 ? 77  GLN   A CB  1 
ATOM   225  C CG  . GLN   A 1 35  ? 22.42731 -10.13866 23.23131  1.000 14.90896 ? 77  GLN   A CG  1 
ATOM   226  C CD  . GLN   A 1 35  ? 22.02669 -10.67573 24.58514  1.000 27.20570 ? 77  GLN   A CD  1 
ATOM   227  O OE1 . GLN   A 1 35  ? 20.94994 -11.25653 24.73270  1.000 37.81887 ? 77  GLN   A OE1 1 
ATOM   228  N NE2 . GLN   A 1 35  ? 22.88536 -10.49966 25.57821  1.000 23.99112 ? 77  GLN   A NE2 1 
ATOM   229  N N   . ILE   A 1 36  ? 20.78458 -7.05845  22.27941  1.000 9.64084  ? 78  ILE   A N   1 
ATOM   230  C CA  . ILE   A 1 36  ? 21.38682 -5.76836  21.95847  1.000 8.94710  ? 78  ILE   A CA  1 
ATOM   231  C C   . ILE   A 1 36  ? 22.87963 -5.84637  22.28086  1.000 14.28108 ? 78  ILE   A C   1 
ATOM   232  O O   . ILE   A 1 36  ? 23.27695 -5.97006  23.44273  1.000 17.01972 ? 78  ILE   A O   1 
ATOM   233  C CB  . ILE   A 1 36  ? 20.71177 -4.62379  22.72119  1.000 8.15116  ? 78  ILE   A CB  1 
ATOM   234  C CG1 . ILE   A 1 36  ? 19.19319 -4.67286  22.53277  1.000 11.28282 ? 78  ILE   A CG1 1 
ATOM   235  C CG2 . ILE   A 1 36  ? 21.25795 -3.29181  22.25373  1.000 5.52487  ? 78  ILE   A CG2 1 
ATOM   236  C CD1 . ILE   A 1 36  ? 18.70401 -4.19483  21.17910  1.000 11.58309 ? 78  ILE   A CD1 1 
ATOM   237  N N   . THR   A 1 37  ? 23.71495 -5.76079  21.25540  1.000 10.17409 ? 79  THR   A N   1 
ATOM   238  C CA  . THR   A 1 37  ? 25.14984 -5.92048  21.43087  1.000 9.03175  ? 79  THR   A CA  1 
ATOM   239  C C   . THR   A 1 37  ? 25.92103 -4.60407  21.36177  1.000 8.12281  ? 79  THR   A C   1 
ATOM   240  O O   . THR   A 1 37  ? 27.12421 -4.59584  21.62833  1.000 9.04105  ? 79  THR   A O   1 
ATOM   241  C CB  . THR   A 1 37  ? 25.68081 -6.88315  20.35800  1.000 11.92144 ? 79  THR   A CB  1 
ATOM   242  O OG1 . THR   A 1 37  ? 25.24256 -6.42063  19.06965  1.000 7.40670  ? 79  THR   A OG1 1 
ATOM   243  C CG2 . THR   A 1 37  ? 25.14665 -8.31147  20.59270  1.000 7.62562  ? 79  THR   A CG2 1 
ATOM   244  N N   . ARG   A 1 38  ? 25.27296 -3.50848  20.98260  1.000 9.38656  ? 80  ARG   A N   1 
ATOM   245  C CA  . ARG   A 1 38  ? 25.96165 -2.24991  20.73882  1.000 11.00353 ? 80  ARG   A CA  1 
ATOM   246  C C   . ARG   A 1 38  ? 26.22003 -1.50593  22.04828  1.000 13.17839 ? 80  ARG   A C   1 
ATOM   247  O O   . ARG   A 1 38  ? 25.41668 -1.56084  22.99332  1.000 8.56779  ? 80  ARG   A O   1 
ATOM   248  C CB  . ARG   A 1 38  ? 25.14494 -1.36757  19.78991  1.000 9.43059  ? 80  ARG   A CB  1 
ATOM   249  C CG  . ARG   A 1 38  ? 23.87594 -0.76656  20.42001  1.000 9.24438  ? 80  ARG   A CG  1 
ATOM   250  C CD  . ARG   A 1 38  ? 23.24047 0.30839   19.54939  1.000 6.74334  ? 80  ARG   A CD  1 
ATOM   251  N NE  . ARG   A 1 38  ? 22.50563 -0.24057  18.41360  1.000 8.21054  ? 80  ARG   A NE  1 
ATOM   252  C CZ  . ARG   A 1 38  ? 21.24235 -0.65345  18.45190  1.000 9.19890  ? 80  ARG   A CZ  1 
ATOM   253  N NH1 . ARG   A 1 38  ? 20.52673 -0.59605  19.56969  1.000 6.20601  ? 80  ARG   A NH1 1 
ATOM   254  N NH2 . ARG   A 1 38  ? 20.68726 -1.14870  17.34431  1.000 3.67079  ? 80  ARG   A NH2 1 
ATOM   255  N N   . THR   A 1 39  ? 27.35697 -0.80332  22.08737  1.000 8.14013  ? 81  THR   A N   1 
ATOM   256  C CA  . THR   A 1 39  ? 27.74485 -0.00887  23.24171  1.000 6.92705  ? 81  THR   A CA  1 
ATOM   257  C C   . THR   A 1 39  ? 26.88941 1.24593   23.34144  1.000 11.58650 ? 81  THR   A C   1 
ATOM   258  O O   . THR   A 1 39  ? 26.31493 1.71485   22.35159  1.000 15.95271 ? 81  THR   A O   1 
ATOM   259  C CB  . THR   A 1 39  ? 29.21809 0.39052   23.14234  1.000 10.63520 ? 81  THR   A CB  1 
ATOM   260  O OG1 . THR   A 1 39  ? 29.38598 1.39704   22.13246  1.000 8.91282  ? 81  THR   A OG1 1 
ATOM   261  C CG2 . THR   A 1 39  ? 30.05109 -0.82050  22.76756  1.000 6.97413  ? 81  THR   A CG2 1 
ATOM   262  N N   . GLN   A 1 40  ? 26.82551 1.81574   24.55146  1.000 11.26508 ? 82  GLN   A N   1 
ATOM   263  C CA  . GLN   A 1 40  ? 26.10516 3.07600   24.70391  1.000 13.52983 ? 82  GLN   A CA  1 
ATOM   264  C C   . GLN   A 1 40  ? 26.74622 4.17389   23.87648  1.000 13.24297 ? 82  GLN   A C   1 
ATOM   265  O O   . GLN   A 1 40  ? 26.05821 5.07454   23.38369  1.000 14.18595 ? 82  GLN   A O   1 
ATOM   266  C CB  . GLN   A 1 40  ? 26.01899 3.49079   26.16856  1.000 13.28646 ? 82  GLN   A CB  1 
ATOM   267  C CG  . GLN   A 1 40  ? 27.30657 3.52226   26.90496  1.000 20.28559 ? 82  GLN   A CG  1 
ATOM   268  C CD  . GLN   A 1 40  ? 27.09965 3.65318   28.40884  1.000 22.19490 ? 82  GLN   A CD  1 
ATOM   269  O OE1 . GLN   A 1 40  ? 26.00769 3.40403   28.92055  1.000 16.15722 ? 82  GLN   A OE1 1 
ATOM   270  N NE2 . GLN   A 1 40  ? 28.16018 4.02478   29.12293  1.000 21.07200 ? 82  GLN   A NE2 1 
ATOM   271  N N   . GLU   A 1 41  ? 28.04843 4.08668   23.66534  1.000 11.66798 ? 83  GLU   A N   1 
ATOM   272  C CA  . GLU   A 1 41  ? 28.70002 5.03997   22.78672  1.000 13.71684 ? 83  GLU   A CA  1 
ATOM   273  C C   . GLU   A 1 41  ? 28.18294 4.90781   21.35746  1.000 16.73143 ? 83  GLU   A C   1 
ATOM   274  O O   . GLU   A 1 41  ? 27.94851 5.91263   20.66710  1.000 15.65118 ? 83  GLU   A O   1 
ATOM   275  C CB  . GLU   A 1 41  ? 30.20205 4.82221   22.85924  1.000 12.42968 ? 83  GLU   A CB  1 
ATOM   276  C CG  . GLU   A 1 41  ? 30.99983 5.93765   22.28614  1.000 27.64295 ? 83  GLU   A CG  1 
ATOM   277  C CD  . GLU   A 1 41  ? 32.16072 5.41725   21.49561  1.000 34.96551 ? 83  GLU   A CD  1 
ATOM   278  O OE1 . GLU   A 1 41  ? 31.92825 4.94694   20.35587  1.000 30.56063 ? 83  GLU   A OE1 1 
ATOM   279  O OE2 . GLU   A 1 41  ? 33.29097 5.45151   22.03494  1.000 29.01663 ? 83  GLU   A OE2 1 
ATOM   280  N N   . GLU   A 1 42  ? 27.97955 3.67051   20.89893  1.000 16.03460 ? 84  GLU   A N   1 
ATOM   281  C CA  . GLU   A 1 42  ? 27.40969 3.47319   19.57037  1.000 13.83042 ? 84  GLU   A CA  1 
ATOM   282  C C   . GLU   A 1 42  ? 25.92361 3.82677   19.52456  1.000 11.79030 ? 84  GLU   A C   1 
ATOM   283  O O   . GLU   A 1 42  ? 25.43971 4.31277   18.49650  1.000 12.63253 ? 84  GLU   A O   1 
ATOM   284  C CB  . GLU   A 1 42  ? 27.62566 2.03590   19.12155  1.000 10.61224 ? 84  GLU   A CB  1 
ATOM   285  C CG  . GLU   A 1 42  ? 29.04127 1.72187   18.78276  1.000 6.51893  ? 84  GLU   A CG  1 
ATOM   286  C CD  . GLU   A 1 42  ? 29.25842 0.24906   18.70717  1.000 12.50208 ? 84  GLU   A CD  1 
ATOM   287  O OE1 . GLU   A 1 42  ? 28.47788 -0.49655  19.35784  1.000 14.44327 ? 84  GLU   A OE1 1 
ATOM   288  O OE2 . GLU   A 1 42  ? 30.19688 -0.16360  17.99575  1.000 13.06941 ? 84  GLU   A OE2 1 
ATOM   289  N N   . ALA   A 1 43  ? 25.18382 3.59576   20.61572  1.000 10.12774 ? 85  ALA   A N   1 
ATOM   290  C CA  . ALA   A 1 43  ? 23.78649 4.02298   20.65543  1.000 8.75215  ? 85  ALA   A CA  1 
ATOM   291  C C   . ALA   A 1 43  ? 23.64911 5.53901   20.46617  1.000 9.56159  ? 85  ALA   A C   1 
ATOM   292  O O   . ALA   A 1 43  ? 22.75647 5.99785   19.74908  1.000 7.42579  ? 85  ALA   A O   1 
ATOM   293  C CB  . ALA   A 1 43  ? 23.13856 3.56701   21.96188  1.000 6.21871  ? 85  ALA   A CB  1 
ATOM   294  N N   . LEU   A 1 44  ? 24.53511 6.33384   21.07647  1.000 9.05459  ? 86  LEU   A N   1 
ATOM   295  C CA  . LEU   A 1 44  ? 24.41310 7.78732   20.97225  1.000 8.77419  ? 86  LEU   A CA  1 
ATOM   296  C C   . LEU   A 1 44  ? 24.81006 8.28951   19.58382  1.000 11.55904 ? 86  LEU   A C   1 
ATOM   297  O O   . LEU   A 1 44  ? 24.15269 9.18287   19.02752  1.000 8.03798  ? 86  LEU   A O   1 
ATOM   298  C CB  . LEU   A 1 44  ? 25.25684 8.45247   22.05861  1.000 11.01776 ? 86  LEU   A CB  1 
ATOM   299  C CG  . LEU   A 1 44  ? 25.12562 9.95495   22.33626  1.000 12.81692 ? 86  LEU   A CG  1 
ATOM   300  C CD1 . LEU   A 1 44  ? 23.67802 10.39724  22.50261  1.000 10.58403 ? 86  LEU   A CD1 1 
ATOM   301  C CD2 . LEU   A 1 44  ? 25.93729 10.32759  23.57113  1.000 12.78196 ? 86  LEU   A CD2 1 
ATOM   302  N N   . GLU   A 1 45  ? 25.88901 7.73383   19.01741  1.000 12.98649 ? 87  GLU   A N   1 
ATOM   303  C CA  . GLU   A 1 45  ? 26.23604 7.98001   17.61642  1.000 11.06214 ? 87  GLU   A CA  1 
ATOM   304  C C   . GLU   A 1 45  ? 25.02220 7.81685   16.69845  1.000 10.22883 ? 87  GLU   A C   1 
ATOM   305  O O   . GLU   A 1 45  ? 24.73584 8.68018   15.85644  1.000 8.86757  ? 87  GLU   A O   1 
ATOM   306  C CB  . GLU   A 1 45  ? 27.35094 7.02311   17.19082  1.000 12.55328 ? 87  GLU   A CB  1 
ATOM   307  C CG  . GLU   A 1 45  ? 28.67266 7.66095   16.79285  1.000 18.15042 ? 87  GLU   A CG  1 
ATOM   308  C CD  . GLU   A 1 45  ? 29.81098 6.63927   16.61725  1.000 29.99435 ? 87  GLU   A CD  1 
ATOM   309  O OE1 . GLU   A 1 45  ? 29.58581 5.56796   15.99322  1.000 35.50653 ? 87  GLU   A OE1 1 
ATOM   310  O OE2 . GLU   A 1 45  ? 30.93919 6.91759   17.09148  1.000 30.05721 ? 87  GLU   A OE2 1 
ATOM   311  N N   . LEU   A 1 46  ? 24.30850 6.69809   16.83466  1.000 4.97023  ? 88  LEU   A N   1 
ATOM   312  C CA  . LEU   A 1 46  ? 23.09541 6.49634   16.05578  1.000 5.73237  ? 88  LEU   A CA  1 
ATOM   313  C C   . LEU   A 1 46  ? 22.07655 7.59804   16.33320  1.000 10.05058 ? 88  LEU   A C   1 
ATOM   314  O O   . LEU   A 1 46  ? 21.53052 8.20769   15.40432  1.000 10.54898 ? 88  LEU   A O   1 
ATOM   315  C CB  . LEU   A 1 46  ? 22.50806 5.12252   16.36854  1.000 8.35072  ? 88  LEU   A CB  1 
ATOM   316  C CG  . LEU   A 1 46  ? 23.28574 3.91355   15.82948  1.000 8.68272  ? 88  LEU   A CG  1 
ATOM   317  C CD1 . LEU   A 1 46  ? 22.96464 2.62518   16.60660  1.000 4.32616  ? 88  LEU   A CD1 1 
ATOM   318  C CD2 . LEU   A 1 46  ? 22.99765 3.74065   14.36539  1.000 4.00149  ? 88  LEU   A CD2 1 
ATOM   319  N N   . ILE   A 1 47  ? 21.81447 7.87150   17.61540  1.000 9.90884  ? 89  ILE   A N   1 
ATOM   320  C CA  . ILE   A 1 47  ? 20.86558 8.91450   17.98812  1.000 7.30954  ? 89  ILE   A CA  1 
ATOM   321  C C   . ILE   A 1 47  ? 21.26439 10.23744  17.35452  1.000 9.55581  ? 89  ILE   A C   1 
ATOM   322  O O   . ILE   A 1 47  ? 20.44753 10.91296  16.71216  1.000 11.49854 ? 89  ILE   A O   1 
ATOM   323  C CB  . ILE   A 1 47  ? 20.76886 9.02793   19.52023  1.000 9.70257  ? 89  ILE   A CB  1 
ATOM   324  C CG1 . ILE   A 1 47  ? 19.97227 7.84229   20.07534  1.000 7.21162  ? 89  ILE   A CG1 1 
ATOM   325  C CG2 . ILE   A 1 47  ? 20.16877 10.41095  19.94870  1.000 5.87857  ? 89  ILE   A CG2 1 
ATOM   326  C CD1 . ILE   A 1 47  ? 18.48291 8.06934   20.15226  1.000 6.51387  ? 89  ILE   A CD1 1 
ATOM   327  N N   . ASN   A 1 48  ? 22.54054 10.61016  17.49695  1.000 8.10803  ? 90  ASN   A N   1 
ATOM   328  C CA  . ASN   A 1 48  ? 22.99165 11.88160  16.94159  1.000 10.68103 ? 90  ASN   A CA  1 
ATOM   329  C C   . ASN   A 1 48  ? 22.90782 11.89028  15.41817  1.000 13.14053 ? 90  ASN   A C   1 
ATOM   330  O O   . ASN   A 1 48  ? 22.59446 12.92706  14.81508  1.000 12.02564 ? 90  ASN   A O   1 
ATOM   331  C CB  . ASN   A 1 48  ? 24.40283 12.18396  17.42342  1.000 8.60076  ? 90  ASN   A CB  1 
ATOM   332  C CG  . ASN   A 1 48  ? 24.40581 12.79293  18.81619  1.000 14.34820 ? 90  ASN   A CG  1 
ATOM   333  O OD1 . ASN   A 1 48  ? 23.57117 13.64116  19.12574  1.000 14.23866 ? 90  ASN   A OD1 1 
ATOM   334  N ND2 . ASN   A 1 48  ? 25.32352 12.33851  19.67456  1.000 15.58562 ? 90  ASN   A ND2 1 
ATOM   335  N N   . GLY   A 1 49  ? 23.16866 10.74203  14.78202  1.000 9.90037  ? 91  GLY   A N   1 
ATOM   336  C CA  . GLY   A 1 49  ? 23.07018 10.66338  13.33840  1.000 7.41022  ? 91  GLY   A CA  1 
ATOM   337  C C   . GLY   A 1 49  ? 21.64058 10.65974  12.83929  1.000 12.21864 ? 91  GLY   A C   1 
ATOM   338  O O   . GLY   A 1 49  ? 21.36385 11.14471  11.73941  1.000 13.56714 ? 91  GLY   A O   1 
ATOM   339  N N   . TYR   A 1 50  ? 20.71783 10.09842  13.62547  1.000 11.98267 ? 92  TYR   A N   1 
ATOM   340  C CA  . TYR   A 1 50  ? 19.30179 10.21960  13.30140  1.000 9.10881  ? 92  TYR   A CA  1 
ATOM   341  C C   . TYR   A 1 50  ? 18.84302 11.66445  13.41381  1.000 12.47265 ? 92  TYR   A C   1 
ATOM   342  O O   . TYR   A 1 50  ? 18.02837 12.12547  12.61117  1.000 19.22869 ? 92  TYR   A O   1 
ATOM   343  C CB  . TYR   A 1 50  ? 18.46462 9.33888   14.22605  1.000 11.68867 ? 92  TYR   A CB  1 
ATOM   344  C CG  . TYR   A 1 50  ? 18.62509 7.85246   14.02134  1.000 11.55875 ? 92  TYR   A CG  1 
ATOM   345  C CD1 . TYR   A 1 50  ? 18.95721 7.32929   12.76824  1.000 12.24392 ? 92  TYR   A CD1 1 
ATOM   346  C CD2 . TYR   A 1 50  ? 18.43320 6.96507   15.07967  1.000 7.38346  ? 92  TYR   A CD2 1 
ATOM   347  C CE1 . TYR   A 1 50  ? 19.09708 5.96935   12.57282  1.000 7.74040  ? 92  TYR   A CE1 1 
ATOM   348  C CE2 . TYR   A 1 50  ? 18.57658 5.59910   14.89417  1.000 9.89570  ? 92  TYR   A CE2 1 
ATOM   349  C CZ  . TYR   A 1 50  ? 18.90178 5.10634   13.63391  1.000 11.31638 ? 92  TYR   A CZ  1 
ATOM   350  O OH  . TYR   A 1 50  ? 19.03988 3.75251   13.43893  1.000 11.71639 ? 92  TYR   A OH  1 
ATOM   351  N N   . ILE   A 1 51  ? 19.35038 12.39152  14.41068  1.000 15.10390 ? 93  ILE   A N   1 
ATOM   352  C CA  . ILE   A 1 51  ? 18.94088 13.77686  14.60620  1.000 11.76255 ? 93  ILE   A CA  1 
ATOM   353  C C   . ILE   A 1 51  ? 19.37384 14.63295  13.42431  1.000 10.67051 ? 93  ILE   A C   1 
ATOM   354  O O   . ILE   A 1 51  ? 18.63285 15.51519  12.97476  1.000 13.82159 ? 93  ILE   A O   1 
ATOM   355  C CB  . ILE   A 1 51  ? 19.50096 14.30789  15.93962  1.000 9.76581  ? 93  ILE   A CB  1 
ATOM   356  C CG1 . ILE   A 1 51  ? 18.77053 13.65443  17.12108  1.000 10.38433 ? 93  ILE   A CG1 1 
ATOM   357  C CG2 . ILE   A 1 51  ? 19.41486 15.83461  16.00739  1.000 7.01739  ? 93  ILE   A CG2 1 
ATOM   358  C CD1 . ILE   A 1 51  ? 19.26479 14.10651  18.49946  1.000 9.26884  ? 93  ILE   A CD1 1 
ATOM   359  N N   . GLN   A 1 52  ? 20.56978 14.37663  12.89175  1.000 12.35350 ? 94  GLN   A N   1 
ATOM   360  C CA  . GLN   A 1 52  ? 21.09360 15.20016  11.80206  1.000 14.39784 ? 94  GLN   A CA  1 
ATOM   361  C C   . GLN   A 1 52  ? 20.34983 14.93003  10.50622  1.000 13.41991 ? 94  GLN   A C   1 
ATOM   362  O O   . GLN   A 1 52  ? 20.03661 15.85893  9.75546   1.000 12.58021 ? 94  GLN   A O   1 
ATOM   363  C CB  . GLN   A 1 52  ? 22.59471 14.96124  11.62824  1.000 11.24784 ? 94  GLN   A CB  1 
ATOM   364  C CG  . GLN   A 1 52  ? 23.47109 15.83223  12.57140  1.000 27.92946 ? 94  GLN   A CG  1 
ATOM   365  C CD  . GLN   A 1 52  ? 22.98232 17.28976  12.68071  1.000 29.61377 ? 94  GLN   A CD  1 
ATOM   366  O OE1 . GLN   A 1 52  ? 22.49385 17.73353  13.73073  1.000 21.23116 ? 94  GLN   A OE1 1 
ATOM   367  N NE2 . GLN   A 1 52  ? 23.11943 18.03468  11.58413  1.000 30.78241 ? 94  GLN   A NE2 1 
ATOM   368  N N   . LYS   A 1 53  ? 20.04071 13.66689  10.24265  1.000 14.18037 ? 95  LYS   A N   1 
ATOM   369  C CA  . LYS   A 1 53  ? 19.25168 13.32972  9.07157   1.000 15.55391 ? 95  LYS   A CA  1 
ATOM   370  C C   . LYS   A 1 53  ? 17.83892 13.90133  9.16901   1.000 17.48518 ? 95  LYS   A C   1 
ATOM   371  O O   . LYS   A 1 53  ? 17.26743 14.32723  8.15830   1.000 14.70552 ? 95  LYS   A O   1 
ATOM   372  C CB  . LYS   A 1 53  ? 19.22897 11.81441  8.90270   1.000 19.83789 ? 95  LYS   A CB  1 
ATOM   373  C CG  . LYS   A 1 53  ? 20.56749 11.25334  8.50653   1.000 17.73743 ? 95  LYS   A CG  1 
ATOM   374  C CD  . LYS   A 1 53  ? 20.74292 9.83179   8.99045   1.000 24.01234 ? 95  LYS   A CD  1 
ATOM   375  C CE  . LYS   A 1 53  ? 21.60057 9.05285   8.01171   1.000 32.57556 ? 95  LYS   A CE  1 
ATOM   376  N NZ  . LYS   A 1 53  ? 22.34773 9.96856   7.09360   1.000 20.86390 ? 95  LYS   A NZ  1 
ATOM   377  N N   . ILE   A 1 54  ? 17.25331 13.91267  10.37095  1.000 16.46467 ? 96  ILE   A N   1 
ATOM   378  C CA  . ILE   A 1 54  ? 15.92113 14.49406  10.53436  1.000 15.00257 ? 96  ILE   A CA  1 
ATOM   379  C C   . ILE   A 1 54  ? 15.97084 16.00664  10.36282  1.000 13.02462 ? 96  ILE   A C   1 
ATOM   380  O O   . ILE   A 1 54  ? 15.02116 16.61769  9.86639   1.000 13.43587 ? 96  ILE   A O   1 
ATOM   381  C CB  . ILE   A 1 54  ? 15.32606 14.10315  11.90064  1.000 12.59362 ? 96  ILE   A CB  1 
ATOM   382  C CG1 . ILE   A 1 54  ? 15.06846 12.60089  11.96452  1.000 12.72983 ? 96  ILE   A CG1 1 
ATOM   383  C CG2 . ILE   A 1 54  ? 14.03019 14.86145  12.16886  1.000 10.60349 ? 96  ILE   A CG2 1 
ATOM   384  C CD1 . ILE   A 1 54  ? 14.95332 12.08768  13.39820  1.000 15.16995 ? 96  ILE   A CD1 1 
ATOM   385  N N   . LYS   A 1 55  ? 17.07117 16.63369  10.76550  1.000 16.74902 ? 97  LYS   A N   1 
ATOM   386  C CA  . LYS   A 1 55  ? 17.21711 18.07359  10.61384  1.000 12.32265 ? 97  LYS   A CA  1 
ATOM   387  C C   . LYS   A 1 55  ? 17.51108 18.45399  9.16019   1.000 11.35124 ? 97  LYS   A C   1 
ATOM   388  O O   . LYS   A 1 55  ? 17.06521 19.50184  8.68360   1.000 11.77340 ? 97  LYS   A O   1 
ATOM   389  C CB  . LYS   A 1 55  ? 18.32628 18.56257  11.54685  1.000 10.63216 ? 97  LYS   A CB  1 
ATOM   390  C CG  . LYS   A 1 55  ? 17.84012 19.12669  12.84265  1.000 11.43488 ? 97  LYS   A CG  1 
ATOM   391  C CD  . LYS   A 1 55  ? 18.65193 18.60617  14.00515  1.000 18.21527 ? 97  LYS   A CD  1 
ATOM   392  C CE  . LYS   A 1 55  ? 18.54678 19.52143  15.23529  1.000 16.87835 ? 97  LYS   A CE  1 
ATOM   393  N NZ  . LYS   A 1 55  ? 17.10886 19.89516  15.48123  1.000 33.44840 ? 97  LYS   A NZ  1 
ATOM   394  N N   . SER   A 1 56  ? 18.26074 17.62243  8.43901   1.000 10.75257 ? 98  SER   A N   1 
ATOM   395  C CA  . SER   A 1 56  ? 18.56195 17.91332  7.04460   1.000 12.38273 ? 98  SER   A CA  1 
ATOM   396  C C   . SER   A 1 56  ? 17.36533 17.66989  6.13251   1.000 21.60799 ? 98  SER   A C   1 
ATOM   397  O O   . SER   A 1 56  ? 17.33691 18.18701  5.00662   1.000 23.04970 ? 98  SER   A O   1 
ATOM   398  C CB  . SER   A 1 56  ? 19.75356 17.06875  6.58137   1.000 12.09989 ? 98  SER   A CB  1 
ATOM   399  O OG  . SER   A 1 56  ? 19.36246 15.74746  6.22378   1.000 16.73592 ? 98  SER   A OG  1 
ATOM   400  N N   . GLY   A 1 57  ? 16.36711 16.92662  6.60971   1.000 13.22582 ? 99  GLY   A N   1 
ATOM   401  C CA  . GLY   A 1 57  ? 15.28802 16.45261  5.79199   1.000 11.59564 ? 99  GLY   A CA  1 
ATOM   402  C C   . GLY   A 1 57  ? 15.54204 15.11724  5.12694   1.000 17.12710 ? 99  GLY   A C   1 
ATOM   403  O O   . GLY   A 1 57  ? 14.61941 14.57109  4.50028   1.000 12.98106 ? 99  GLY   A O   1 
ATOM   404  N N   . GLU   A 1 58  ? 16.76071 14.57095  5.24022   1.000 14.36825 ? 100 GLU   A N   1 
ATOM   405  C CA  . GLU   A 1 58  ? 17.05207 13.30256  4.58263   1.000 17.17147 ? 100 GLU   A CA  1 
ATOM   406  C C   . GLU   A 1 58  ? 16.16747 12.17827  5.10996   1.000 20.17054 ? 100 GLU   A C   1 
ATOM   407  O O   . GLU   A 1 58  ? 15.81561 11.25631  4.36515   1.000 13.74086 ? 100 GLU   A O   1 
ATOM   408  C CB  . GLU   A 1 58  ? 18.52518 12.95257  4.75739   1.000 18.00577 ? 100 GLU   A CB  1 
ATOM   409  C CG  . GLU   A 1 58  ? 19.02531 11.89652  3.78344   1.000 29.05333 ? 100 GLU   A CG  1 
ATOM   410  C CD  . GLU   A 1 58  ? 20.08216 10.98197  4.39560   1.000 45.00030 ? 100 GLU   A CD  1 
ATOM   411  O OE1 . GLU   A 1 58  ? 19.71401 9.89129   4.91295   1.000 40.27293 ? 100 GLU   A OE1 1 
ATOM   412  O OE2 . GLU   A 1 58  ? 21.27885 11.37794  4.36932   1.000 36.46555 ? 100 GLU   A OE2 1 
ATOM   413  N N   . GLU   A 1 59  ? 15.78328 12.23771  6.37760   1.000 17.73331 ? 101 GLU   A N   1 
ATOM   414  C CA  . GLU   A 1 59  ? 15.01210 11.16131  6.96007   1.000 17.77602 ? 101 GLU   A CA  1 
ATOM   415  C C   . GLU   A 1 59  ? 13.79519 11.72385  7.67473   1.000 17.08692 ? 101 GLU   A C   1 
ATOM   416  O O   . GLU   A 1 59  ? 13.80593 12.84688  8.18536   1.000 15.01706 ? 101 GLU   A O   1 
ATOM   417  C CB  . GLU   A 1 59  ? 15.87203 10.30842  7.91517   1.000 17.17724 ? 101 GLU   A CB  1 
ATOM   418  C CG  . GLU   A 1 59  ? 16.98068 9.50513   7.21762   1.000 18.93503 ? 101 GLU   A CG  1 
ATOM   419  C CD  . GLU   A 1 59  ? 16.46403 8.41929   6.26808   1.000 27.40765 ? 101 GLU   A CD  1 
ATOM   420  O OE1 . GLU   A 1 59  ? 15.28847 7.99729   6.39171   1.000 21.76482 ? 101 GLU   A OE1 1 
ATOM   421  O OE2 . GLU   A 1 59  ? 17.24728 7.98357   5.39136   1.000 32.51984 ? 101 GLU   A OE2 1 
ATOM   422  N N   . ASP   A 1 60  ? 12.73922 10.92374  7.68560   1.000 17.46876 ? 102 ASP   A N   1 
ATOM   423  C CA  . ASP   A 1 60  ? 11.50175 11.24764  8.37491   1.000 19.33810 ? 102 ASP   A CA  1 
ATOM   424  C C   . ASP   A 1 60  ? 11.47725 10.54285  9.73000   1.000 19.28032 ? 102 ASP   A C   1 
ATOM   425  O O   . ASP   A 1 60  ? 11.71504 9.33004   9.80848   1.000 13.29260 ? 102 ASP   A O   1 
ATOM   426  C CB  . ASP   A 1 60  ? 10.29816 10.83571  7.53006   1.000 14.34394 ? 102 ASP   A CB  1 
ATOM   427  C CG  . ASP   A 1 60  ? 9.00447  11.05708  8.23613   1.000 14.83900 ? 102 ASP   A CG  1 
ATOM   428  O OD1 . ASP   A 1 60  ? 8.71151  10.30033  9.17502   1.000 19.44943 ? 102 ASP   A OD1 1 
ATOM   429  O OD2 . ASP   A 1 60  ? 8.27158  11.98571  7.85948   1.000 27.50102 ? 102 ASP   A OD2 1 
ATOM   430  N N   . PHE   A 1 61  ? 11.15780 11.31241  10.78063  1.000 13.72677 ? 103 PHE   A N   1 
ATOM   431  C CA  . PHE   A 1 61  ? 11.24584 10.83091  12.15441  1.000 12.40761 ? 103 PHE   A CA  1 
ATOM   432  C C   . PHE   A 1 61  ? 10.46470 9.54307   12.34689  1.000 15.79377 ? 103 PHE   A C   1 
ATOM   433  O O   . PHE   A 1 61  ? 10.96077 8.58601   12.95734  1.000 10.43136 ? 103 PHE   A O   1 
ATOM   434  C CB  . PHE   A 1 61  ? 10.72702 11.90536  13.10549  1.000 11.69565 ? 103 PHE   A CB  1 
ATOM   435  C CG  . PHE   A 1 61  ? 10.74592 11.50071  14.55184  1.000 14.73486 ? 103 PHE   A CG  1 
ATOM   436  C CD1 . PHE   A 1 61  ? 9.69815  10.77798  15.10705  1.000 12.23573 ? 103 PHE   A CD1 1 
ATOM   437  C CD2 . PHE   A 1 61  ? 11.80851 11.86936  15.37588  1.000 17.21841 ? 103 PHE   A CD2 1 
ATOM   438  C CE1 . PHE   A 1 61  ? 9.72384  10.40073  16.45287  1.000 20.16700 ? 103 PHE   A CE1 1 
ATOM   439  C CE2 . PHE   A 1 61  ? 11.82961 11.50395  16.72956  1.000 10.84191 ? 103 PHE   A CE2 1 
ATOM   440  C CZ  . PHE   A 1 61  ? 10.79864 10.77229  17.26463  1.000 13.75454 ? 103 PHE   A CZ  1 
ATOM   441  N N   . GLU   A 1 62  ? 9.22674  9.50773   11.84850  1.000 15.32669 ? 104 GLU   A N   1 
ATOM   442  C CA  . GLU   A 1 62  ? 8.35379  8.37026   12.12608  1.000 19.29139 ? 104 GLU   A CA  1 
ATOM   443  C C   . GLU   A 1 62  ? 8.68834  7.15716   11.26060  1.000 17.07926 ? 104 GLU   A C   1 
ATOM   444  O O   . GLU   A 1 62  ? 8.53077  6.01504   11.71511  1.000 13.13977 ? 104 GLU   A O   1 
ATOM   445  C CB  . GLU   A 1 62  ? 6.89890  8.80059   11.96093  1.000 19.64236 ? 104 GLU   A CB  1 
ATOM   446  C CG  . GLU   A 1 62  ? 6.56084  9.97490   12.87449  1.000 19.50358 ? 104 GLU   A CG  1 
ATOM   447  C CD  . GLU   A 1 62  ? 5.08483  10.05797  13.22517  1.000 26.01484 ? 104 GLU   A CD  1 
ATOM   448  O OE1 . GLU   A 1 62  ? 4.28509  10.38255  12.31532  1.000 16.84997 ? 104 GLU   A OE1 1 
ATOM   449  O OE2 . GLU   A 1 62  ? 4.73097  9.78081   14.40507  1.000 20.43353 ? 104 GLU   A OE2 1 
ATOM   450  N N   . SER   A 1 63  ? 9.18027  7.38503   10.03982  1.000 12.62662 ? 105 SER   A N   1 
ATOM   451  C CA  . SER   A 1 63  ? 9.76100  6.29847   9.25921   1.000 16.23894 ? 105 SER   A CA  1 
ATOM   452  C C   . SER   A 1 63  ? 10.94001 5.65465   9.98546   1.000 14.34050 ? 105 SER   A C   1 
ATOM   453  O O   . SER   A 1 63  ? 11.06765 4.42430   9.99266   1.000 14.34714 ? 105 SER   A O   1 
ATOM   454  C CB  . SER   A 1 63  ? 10.19405 6.81569   7.88816   1.000 15.61717 ? 105 SER   A CB  1 
ATOM   455  O OG  . SER   A 1 63  ? 9.10725  7.46284   7.25915   1.000 18.68565 ? 105 SER   A OG  1 
ATOM   456  N N   . LEU   A 1 64  ? 11.81664 6.47164   10.59553  1.000 11.88656 ? 106 LEU   A N   1 
ATOM   457  C CA  . LEU   A 1 64  ? 12.96387 5.94409   11.33807  1.000 10.46978 ? 106 LEU   A CA  1 
ATOM   458  C C   . LEU   A 1 64  ? 12.52716 5.20334   12.59503  1.000 11.84347 ? 106 LEU   A C   1 
ATOM   459  O O   . LEU   A 1 64  ? 13.03625 4.11516   12.89204  1.000 13.74366 ? 106 LEU   A O   1 
ATOM   460  C CB  . LEU   A 1 64  ? 13.91870 7.07265   11.72094  1.000 12.72882 ? 106 LEU   A CB  1 
ATOM   461  C CG  . LEU   A 1 64  ? 14.83330 7.56144   10.61215  1.000 14.48431 ? 106 LEU   A CG  1 
ATOM   462  C CD1 . LEU   A 1 64  ? 15.83120 8.54611   11.17573  1.000 11.30829 ? 106 LEU   A CD1 1 
ATOM   463  C CD2 . LEU   A 1 64  ? 15.50725 6.37007   9.95307   1.000 9.94051  ? 106 LEU   A CD2 1 
ATOM   464  N N   . ALA   A 1 65  ? 11.60018 5.78639   13.35375  1.000 9.45169  ? 107 ALA   A N   1 
ATOM   465  C CA  . ALA   A 1 65  ? 11.07808 5.10151   14.52610  1.000 11.55718 ? 107 ALA   A CA  1 
ATOM   466  C C   . ALA   A 1 65  ? 10.41895 3.77486   14.15274  1.000 10.65485 ? 107 ALA   A C   1 
ATOM   467  O O   . ALA   A 1 65  ? 10.53678 2.79630   14.89105  1.000 14.31971 ? 107 ALA   A O   1 
ATOM   468  C CB  . ALA   A 1 65  ? 10.09778 6.00868   15.27312  1.000 8.48344  ? 107 ALA   A CB  1 
ATOM   469  N N   . SER   A 1 66  ? 9.72493  3.70954   13.01597  1.000 11.38551 ? 108 SER   A N   1 
ATOM   470  C CA  . SER   A 1 66  ? 9.07316  2.44788   12.66416  1.000 15.44912 ? 108 SER   A CA  1 
ATOM   471  C C   . SER   A 1 66  ? 10.05997 1.37966   12.22455  1.000 15.99131 ? 108 SER   A C   1 
ATOM   472  O O   . SER   A 1 66  ? 9.72308  0.19712   12.30074  1.000 16.57241 ? 108 SER   A O   1 
ATOM   473  C CB  . SER   A 1 66  ? 8.04158  2.63758   11.55698  1.000 9.09822  ? 108 SER   A CB  1 
ATOM   474  O OG  . SER   A 1 66  ? 8.52563  3.55544   10.61397  1.000 18.99822 ? 108 SER   A OG  1 
ATOM   475  N N   . GLN   A 1 67  ? 11.26295 1.76044   11.78092  1.000 14.07579 ? 109 GLN   A N   1 
ATOM   476  C CA  . GLN   A 1 67  ? 12.26810 0.79428   11.35284  1.000 13.74617 ? 109 GLN   A CA  1 
ATOM   477  C C   . GLN   A 1 67  ? 13.25994 0.41865   12.45692  1.000 17.33877 ? 109 GLN   A C   1 
ATOM   478  O O   . GLN   A 1 67  ? 13.63272 -0.75573  12.57462  1.000 13.98261 ? 109 GLN   A O   1 
ATOM   479  C CB  . GLN   A 1 67  ? 13.04720 1.34412   10.15099  1.000 16.23574 ? 109 GLN   A CB  1 
ATOM   480  C CG  . GLN   A 1 67  ? 12.22355 1.58121   8.88039   1.000 19.49328 ? 109 GLN   A CG  1 
ATOM   481  C CD  . GLN   A 1 67  ? 12.78700 2.69698   7.97849   1.000 19.35576 ? 109 GLN   A CD  1 
ATOM   482  O OE1 . GLN   A 1 67  ? 13.87129 3.23756   8.24000   1.000 18.72375 ? 109 GLN   A OE1 1 
ATOM   483  N NE2 . GLN   A 1 67  ? 12.05991 3.02034   6.89536   1.000 15.37159 ? 109 GLN   A NE2 1 
ATOM   484  N N   . PHE   A 1 68  ? 13.72956 1.38883   13.25516  1.000 16.51870 ? 110 PHE   A N   1 
ATOM   485  C CA  . PHE   A 1 68  ? 14.90053 1.16951   14.10412  1.000 14.83926 ? 110 PHE   A CA  1 
ATOM   486  C C   . PHE   A 1 68  ? 14.69835 1.44012   15.58988  1.000 11.79127 ? 110 PHE   A C   1 
ATOM   487  O O   . PHE   A 1 68  ? 15.64161 1.22997   16.35898  1.000 11.40423 ? 110 PHE   A O   1 
ATOM   488  C CB  . PHE   A 1 68  ? 16.08307 2.02166   13.63262  1.000 12.78627 ? 110 PHE   A CB  1 
ATOM   489  C CG  . PHE   A 1 68  ? 16.40887 1.86033   12.18742  1.000 15.79710 ? 110 PHE   A CG  1 
ATOM   490  C CD1 . PHE   A 1 68  ? 16.97431 0.68366   11.71746  1.000 15.85198 ? 110 PHE   A CD1 1 
ATOM   491  C CD2 . PHE   A 1 68  ? 16.17932 2.90042   11.29390  1.000 13.70459 ? 110 PHE   A CD2 1 
ATOM   492  C CE1 . PHE   A 1 68  ? 17.28229 0.54126   10.37169  1.000 13.20194 ? 110 PHE   A CE1 1 
ATOM   493  C CE2 . PHE   A 1 68  ? 16.49012 2.76329   9.96120   1.000 12.45929 ? 110 PHE   A CE2 1 
ATOM   494  C CZ  . PHE   A 1 68  ? 17.04009 1.58210   9.49776   1.000 12.69364 ? 110 PHE   A CZ  1 
ATOM   495  N N   . SER   A 1 69  ? 13.52301 1.88776   16.02699  1.000 8.57812  ? 111 SER   A N   1 
ATOM   496  C CA  . SER   A 1 69  ? 13.29798 2.06610   17.45698  1.000 8.24304  ? 111 SER   A CA  1 
ATOM   497  C C   . SER   A 1 69  ? 13.23113 0.71937   18.17558  1.000 12.08318 ? 111 SER   A C   1 
ATOM   498  O O   . SER   A 1 69  ? 12.44542 -0.16025  17.80287  1.000 9.45627  ? 111 SER   A O   1 
ATOM   499  C CB  . SER   A 1 69  ? 12.01758 2.84412   17.69200  1.000 8.60090  ? 111 SER   A CB  1 
ATOM   500  O OG  . SER   A 1 69  ? 11.73622 2.92859   19.07282  1.000 10.97594 ? 111 SER   A OG  1 
ATOM   501  N N   . ASP   A 1 70  ? 14.04351 0.55992   19.22959  1.000 10.15591 ? 112 ASP   A N   1 
ATOM   502  C CA  . ASP   A 1 70  ? 14.07141 -0.69475  19.98460  1.000 10.67081 ? 112 ASP   A CA  1 
ATOM   503  C C   . ASP   A 1 70  ? 12.94225 -0.80548  20.97160  1.000 9.94346  ? 112 ASP   A C   1 
ATOM   504  O O   . ASP   A 1 70  ? 12.99085 -1.63691  21.88430  1.000 11.14553 ? 112 ASP   A O   1 
ATOM   505  C CB  . ASP   A 1 70  ? 15.39870 -0.85823  20.72409  1.000 11.03976 ? 112 ASP   A CB  1 
ATOM   506  C CG  . ASP   A 1 70  ? 16.53073 -1.23061  19.80536  1.000 8.84802  ? 112 ASP   A CG  1 
ATOM   507  O OD1 . ASP   A 1 70  ? 16.37290 -2.17394  18.99155  1.000 6.49767  ? 112 ASP   A OD1 1 
ATOM   508  O OD2 . ASP   A 1 70  ? 17.57103 -0.54745  19.89728  1.000 10.22447 ? 112 ASP   A OD2 1 
ATOM   509  N N   . CYS   A 1 71  ? 11.93450 0.02884   20.80709  1.000 11.61036 ? 113 CYS   A N   1 
ATOM   510  C CA  . CYS   A 1 71  ? 10.74564 0.02891   21.63171  1.000 14.24345 ? 113 CYS   A CA  1 
ATOM   511  C C   . CYS   A 1 71  ? 9.57494  -0.49572  20.80381  1.000 18.79554 ? 113 CYS   A C   1 
ATOM   512  O O   . CYS   A 1 71  ? 9.49440  -0.25169  19.59100  1.000 11.43691 ? 113 CYS   A O   1 
ATOM   513  C CB  . CYS   A 1 71  ? 10.46689 1.44626   22.13393  1.000 13.77464 ? 113 CYS   A CB  1 
ATOM   514  S SG  . CYS   A 1 71  ? 10.05224 1.53625   23.85441  1.000 22.34241 ? 113 CYS   A SG  1 
ATOM   515  N N   . SER   A 1 72  ? 8.66698  -1.22318  21.46953  1.000 17.80229 ? 114 SER   A N   1 
ATOM   516  C CA  . SER   A 1 72  ? 7.47788  -1.75346  20.80273  1.000 14.06819 ? 114 SER   A CA  1 
ATOM   517  C C   . SER   A 1 72  ? 6.61487  -0.65623  20.19807  1.000 16.10351 ? 114 SER   A C   1 
ATOM   518  O O   . SER   A 1 72  ? 5.81028  -0.93691  19.30061  1.000 12.75025 ? 114 SER   A O   1 
ATOM   519  C CB  . SER   A 1 72  ? 6.63334  -2.56632  21.78571  1.000 19.81363 ? 114 SER   A CB  1 
ATOM   520  O OG  . SER   A 1 72  ? 5.95244  -1.70862  22.69742  1.000 26.88198 ? 114 SER   A OG  1 
ATOM   521  N N   . SER   A 1 73  ? 6.75923  0.58299   20.67185  1.000 14.74974 ? 115 SER   A N   1 
ATOM   522  C CA  . SER   A 1 73  ? 6.04506  1.69902   20.07616  1.000 11.54660 ? 115 SER   A CA  1 
ATOM   523  C C   . SER   A 1 73  ? 6.31495  1.84336   18.58733  1.000 11.72739 ? 115 SER   A C   1 
ATOM   524  O O   . SER   A 1 73  ? 5.58645  2.58026   17.91852  1.000 14.55389 ? 115 SER   A O   1 
ATOM   525  C CB  . SER   A 1 73  ? 6.41695  2.99706   20.79076  1.000 11.12404 ? 115 SER   A CB  1 
ATOM   526  O OG  . SER   A 1 73  ? 7.76982  3.33599   20.58091  1.000 7.52271  ? 115 SER   A OG  1 
ATOM   527  N N   . ALA   A 1 74  ? 7.33624  1.16686   18.05918  1.000 10.47729 ? 116 ALA   A N   1 
ATOM   528  C CA  . ALA   A 1 74  ? 7.73718  1.35940   16.67092  1.000 12.48154 ? 116 ALA   A CA  1 
ATOM   529  C C   . ALA   A 1 74  ? 6.66118  0.88458   15.69712  1.000 18.23879 ? 116 ALA   A C   1 
ATOM   530  O O   . ALA   A 1 74  ? 6.61218  1.34858   14.54918  1.000 15.98063 ? 116 ALA   A O   1 
ATOM   531  C CB  . ALA   A 1 74  ? 9.05573  0.62335   16.41303  1.000 10.55108 ? 116 ALA   A CB  1 
ATOM   532  N N   . LYS   A 1 75  ? 5.81473  -0.05790  16.12519  1.000 15.81153 ? 117 LYS   A N   1 
ATOM   533  C CA  . LYS   A 1 75  ? 4.74077  -0.53759  15.27731  1.000 13.52415 ? 117 LYS   A CA  1 
ATOM   534  C C   . LYS   A 1 75  ? 3.65661  0.51525   15.10085  1.000 14.81426 ? 117 LYS   A C   1 
ATOM   535  O O   . LYS   A 1 75  ? 2.85324  0.41154   14.16970  1.000 15.83168 ? 117 LYS   A O   1 
ATOM   536  C CB  . LYS   A 1 75  ? 4.15270  -1.81892  15.86116  1.000 14.57283 ? 117 LYS   A CB  1 
ATOM   537  C CG  . LYS   A 1 75  ? 3.17548  -1.57210  16.99881  1.000 23.63219 ? 117 LYS   A CG  1 
ATOM   538  N N   . ALA   A 1 76  ? 3.61981  1.52148   15.97712  1.000 17.62293 ? 118 ALA   A N   1 
ATOM   539  C CA  . ALA   A 1 76  ? 2.78090  2.70382   15.81675  1.000 14.56163 ? 118 ALA   A CA  1 
ATOM   540  C C   . ALA   A 1 76  ? 3.58224  3.91831   15.37937  1.000 13.62511 ? 118 ALA   A C   1 
ATOM   541  O O   . ALA   A 1 76  ? 3.23512  5.04397   15.74653  1.000 17.83236 ? 118 ALA   A O   1 
ATOM   542  C CB  . ALA   A 1 76  ? 2.04000  3.02654   17.11164  1.000 13.14845 ? 118 ALA   A CB  1 
ATOM   543  N N   . ARG   A 1 77  ? 4.66382  3.70618   14.63036  1.000 11.46138 ? 119 ARG   A N   1 
ATOM   544  C CA  . ARG   A 1 77  ? 5.48570  4.76922   14.05095  1.000 16.28194 ? 119 ARG   A CA  1 
ATOM   545  C C   . ARG   A 1 77  ? 6.11605  5.65539   15.12302  1.000 15.63165 ? 119 ARG   A C   1 
ATOM   546  O O   . ARG   A 1 77  ? 6.44497  6.82133   14.87143  1.000 17.13731 ? 119 ARG   A O   1 
ATOM   547  C CB  . ARG   A 1 77  ? 4.67669  5.60886   13.03471  1.000 14.46632 ? 119 ARG   A CB  1 
ATOM   548  C CG  . ARG   A 1 77  ? 4.30652  4.81518   11.76790  1.000 10.46889 ? 119 ARG   A CG  1 
ATOM   549  C CD  . ARG   A 1 77  ? 3.54200  5.58134   10.68460  1.000 9.69123  ? 119 ARG   A CD  1 
ATOM   550  N NE  . ARG   A 1 77  ? 4.36917  6.48965   9.88873   1.000 28.90024 ? 119 ARG   A NE  1 
ATOM   551  C CZ  . ARG   A 1 77  ? 5.37971  6.14003   9.08910   1.000 35.10677 ? 119 ARG   A CZ  1 
ATOM   552  N NH1 . ARG   A 1 77  ? 5.78843  4.88375   8.97628   1.000 25.86618 ? 119 ARG   A NH1 1 
ATOM   553  N NH2 . ARG   A 1 77  ? 6.01009  7.08130   8.39038   1.000 37.47217 ? 119 ARG   A NH2 1 
ATOM   554  N N   . GLY   A 1 78  ? 6.30236  5.12164   16.32317  1.000 13.09603 ? 120 GLY   A N   1 
ATOM   555  C CA  . GLY   A 1 78  ? 6.89976  5.85934   17.40666  1.000 11.28362 ? 120 GLY   A CA  1 
ATOM   556  C C   . GLY   A 1 78  ? 5.91843  6.44708   18.39610  1.000 14.00858 ? 120 GLY   A C   1 
ATOM   557  O O   . GLY   A 1 78  ? 6.32407  6.79158   19.51119  1.000 14.57171 ? 120 GLY   A O   1 
ATOM   558  N N   . ASP   A 1 79  ? 4.64420  6.56536   18.02532  1.000 18.79890 ? 121 ASP   A N   1 
ATOM   559  C CA  . ASP   A 1 79  ? 3.66531  7.19762   18.90075  1.000 18.18077 ? 121 ASP   A CA  1 
ATOM   560  C C   . ASP   A 1 79  ? 3.47340  6.40028   20.18373  1.000 16.07144 ? 121 ASP   A C   1 
ATOM   561  O O   . ASP   A 1 79  ? 3.42716  5.16845   20.16512  1.000 21.61877 ? 121 ASP   A O   1 
ATOM   562  C CB  . ASP   A 1 79  ? 2.32821  7.34402   18.17302  1.000 22.81387 ? 121 ASP   A CB  1 
ATOM   563  C CG  . ASP   A 1 79  ? 1.28895  8.09297   18.99934  1.000 27.41185 ? 121 ASP   A CG  1 
ATOM   564  O OD1 . ASP   A 1 79  ? 1.57193  9.21872   19.47534  1.000 17.45997 ? 121 ASP   A OD1 1 
ATOM   565  O OD2 . ASP   A 1 79  ? 0.17938  7.54454   19.16978  1.000 38.46905 ? 121 ASP   A OD2 1 
ATOM   566  N N   . LEU   A 1 80  ? 3.36585  7.11589   21.30652  1.000 14.68647 ? 122 LEU   A N   1 
ATOM   567  C CA  . LEU   A 1 80  ? 3.00599  6.51924   22.58884  1.000 18.29296 ? 122 LEU   A CA  1 
ATOM   568  C C   . LEU   A 1 80  ? 1.59881  6.85955   23.03462  1.000 21.64835 ? 122 LEU   A C   1 
ATOM   569  O O   . LEU   A 1 80  ? 1.09158  6.22269   23.96294  1.000 21.25013 ? 122 LEU   A O   1 
ATOM   570  C CB  . LEU   A 1 80  ? 3.96324  6.96971   23.69840  1.000 15.92414 ? 122 LEU   A CB  1 
ATOM   571  C CG  . LEU   A 1 80  ? 5.38370  6.44051   23.58534  1.000 15.39767 ? 122 LEU   A CG  1 
ATOM   572  C CD1 . LEU   A 1 80  ? 6.30210  7.34231   24.36333  1.000 19.13272 ? 122 LEU   A CD1 1 
ATOM   573  C CD2 . LEU   A 1 80  ? 5.47887  4.99615   24.04192  1.000 12.77986 ? 122 LEU   A CD2 1 
ATOM   574  N N   . GLY   A 1 81  ? 0.96398  7.83912   22.41372  1.000 22.61564 ? 123 GLY   A N   1 
ATOM   575  C CA  . GLY   A 1 81  ? -0.28451 8.34135   22.92101  1.000 26.23154 ? 123 GLY   A CA  1 
ATOM   576  C C   . GLY   A 1 81  ? -0.06541 9.47770   23.89839  1.000 28.07841 ? 123 GLY   A C   1 
ATOM   577  O O   . GLY   A 1 81  ? 1.00935  10.08732  23.97781  1.000 24.31148 ? 123 GLY   A O   1 
ATOM   578  N N   . ALA   A 1 82  ? -1.12642 9.76734   24.65249  1.000 32.39517 ? 124 ALA   A N   1 
ATOM   579  C CA  . ALA   A 1 82  ? -1.11314 10.82013  25.65639  1.000 23.20161 ? 124 ALA   A CA  1 
ATOM   580  C C   . ALA   A 1 82  ? -0.81149 10.23045  27.01759  1.000 21.25375 ? 124 ALA   A C   1 
ATOM   581  O O   . ALA   A 1 82  ? -1.30106 9.15404   27.36555  1.000 29.95510 ? 124 ALA   A O   1 
ATOM   582  C CB  . ALA   A 1 82  ? -2.44962 11.55770  25.70606  1.000 23.38240 ? 124 ALA   A CB  1 
ATOM   583  N N   . PHE   A 1 83  ? 0.00493  10.93897  27.78476  1.000 25.39828 ? 125 PHE   A N   1 
ATOM   584  C CA  . PHE   A 1 83  ? 0.28079  10.53258  29.15015  1.000 24.06445 ? 125 PHE   A CA  1 
ATOM   585  C C   . PHE   A 1 83  ? 0.45757  11.77267  30.01501  1.000 23.03281 ? 125 PHE   A C   1 
ATOM   586  O O   . PHE   A 1 83  ? 0.93695  12.81440  29.55034  1.000 18.09354 ? 125 PHE   A O   1 
ATOM   587  C CB  . PHE   A 1 83  ? 1.51937  9.63808   29.21566  1.000 28.42067 ? 125 PHE   A CB  1 
ATOM   588  C CG  . PHE   A 1 83  ? 2.73089  10.23377  28.56111  1.000 24.70441 ? 125 PHE   A CG  1 
ATOM   589  C CD1 . PHE   A 1 83  ? 3.60681  11.03225  29.29290  1.000 21.05661 ? 125 PHE   A CD1 1 
ATOM   590  C CD2 . PHE   A 1 83  ? 3.00445  9.99071   27.22061  1.000 19.96395 ? 125 PHE   A CD2 1 
ATOM   591  C CE1 . PHE   A 1 83  ? 4.73155  11.58920  28.70529  1.000 15.44308 ? 125 PHE   A CE1 1 
ATOM   592  C CE2 . PHE   A 1 83  ? 4.13696  10.54285  26.62139  1.000 22.87628 ? 125 PHE   A CE2 1 
ATOM   593  C CZ  . PHE   A 1 83  ? 5.00142  11.34742  27.36947  1.000 16.92979 ? 125 PHE   A CZ  1 
ATOM   594  N N   . SER   A 1 84  ? 0.04168  11.64471  31.27216  1.000 21.25327 ? 126 SER   A N   1 
ATOM   595  C CA  . SER   A 1 84  ? 0.26551  12.63340  32.31562  1.000 29.70658 ? 126 SER   A CA  1 
ATOM   596  C C   . SER   A 1 84  ? 1.64702  12.43778  32.93458  1.000 20.74694 ? 126 SER   A C   1 
ATOM   597  O O   . SER   A 1 84  ? 2.42679  11.59188  32.50028  1.000 20.42901 ? 126 SER   A O   1 
ATOM   598  C CB  . SER   A 1 84  ? -0.82176 12.52068  33.38256  1.000 29.43878 ? 126 SER   A CB  1 
ATOM   599  O OG  . SER   A 1 84  ? -0.61973 11.36877  34.19394  1.000 29.41341 ? 126 SER   A OG  1 
ATOM   600  N N   . ARG   A 1 85  ? 1.95257  13.22586  33.96447  1.000 20.58333 ? 127 ARG   A N   1 
ATOM   601  C CA  . ARG   A 1 85  ? 3.13765  12.99259  34.77954  1.000 24.33791 ? 127 ARG   A CA  1 
ATOM   602  C C   . ARG   A 1 85  ? 2.87986  11.84985  35.75759  1.000 21.67616 ? 127 ARG   A C   1 
ATOM   603  O O   . ARG   A 1 85  ? 1.74126  11.43387  35.98236  1.000 23.16021 ? 127 ARG   A O   1 
ATOM   604  C CB  . ARG   A 1 85  ? 3.54197  14.24699  35.55244  1.000 17.57862 ? 127 ARG   A CB  1 
ATOM   605  C CG  . ARG   A 1 85  ? 3.97857  15.41809  34.70022  1.000 25.29915 ? 127 ARG   A CG  1 
ATOM   606  C CD  . ARG   A 1 85  ? 4.77744  16.42739  35.52137  1.000 22.34200 ? 127 ARG   A CD  1 
ATOM   607  N NE  . ARG   A 1 85  ? 5.10708  17.63040  34.76316  1.000 23.79399 ? 127 ARG   A NE  1 
ATOM   608  C CZ  . ARG   A 1 85  ? 6.33296  17.96950  34.38466  1.000 24.77044 ? 127 ARG   A CZ  1 
ATOM   609  N NH1 . ARG   A 1 85  ? 7.37946  17.21379  34.67177  1.000 22.59213 ? 127 ARG   A NH1 1 
ATOM   610  N NH2 . ARG   A 1 85  ? 6.51582  19.10137  33.70934  1.000 24.22363 ? 127 ARG   A NH2 1 
ATOM   611  N N   . GLY   A 1 86  ? 3.96053  11.33600  36.34063  1.000 17.79919 ? 128 GLY   A N   1 
ATOM   612  C CA  . GLY   A 1 86  ? 3.88155  10.23984  37.29150  1.000 21.01226 ? 128 GLY   A CA  1 
ATOM   613  C C   . GLY   A 1 86  ? 3.83989  8.84978   36.68962  1.000 18.11674 ? 128 GLY   A C   1 
ATOM   614  O O   . GLY   A 1 86  ? 3.75048  7.87091   37.44200  1.000 20.52106 ? 128 GLY   A O   1 
ATOM   615  N N   . GLN   A 1 87  ? 3.90708  8.73076   35.36497  1.000 19.46030 ? 129 GLN   A N   1 
ATOM   616  C CA  . GLN   A 1 87  ? 3.73577  7.47427   34.64740  1.000 23.45231 ? 129 GLN   A CA  1 
ATOM   617  C C   . GLN   A 1 87  ? 5.04046  6.90957   34.09716  1.000 21.16455 ? 129 GLN   A C   1 
ATOM   618  O O   . GLN   A 1 87  ? 5.37086  5.74554   34.35226  1.000 16.34401 ? 129 GLN   A O   1 
ATOM   619  C CB  . GLN   A 1 87  ? 2.73339  7.68412   33.49420  1.000 24.72535 ? 129 GLN   A CB  1 
ATOM   620  C CG  . GLN   A 1 87  ? 1.71471  6.55549   33.30762  1.000 33.85388 ? 129 GLN   A CG  1 
ATOM   621  C CD  . GLN   A 1 87  ? 0.93692  6.66558   31.99238  1.000 47.92024 ? 129 GLN   A CD  1 
ATOM   622  O OE1 . GLN   A 1 87  ? 0.97742  5.74170   31.16676  1.000 32.44028 ? 129 GLN   A OE1 1 
ATOM   623  N NE2 . GLN   A 1 87  ? 0.22444  7.78953   31.79314  1.000 34.01607 ? 129 GLN   A NE2 1 
ATOM   624  N N   . MET   A 1 88  ? 5.78375  7.70660   33.32851  1.000 24.09730 ? 130 MET   A N   1 
ATOM   625  C CA  . MET   A 1 88  ? 7.00224  7.28375   32.65370  1.000 20.68671 ? 130 MET   A CA  1 
ATOM   626  C C   . MET   A 1 88  ? 8.22647  7.62028   33.50004  1.000 25.28388 ? 130 MET   A C   1 
ATOM   627  O O   . MET   A 1 88  ? 8.14402  8.32228   34.51354  1.000 20.08017 ? 130 MET   A O   1 
ATOM   628  C CB  . MET   A 1 88  ? 7.12066  7.94959   31.27704  1.000 18.15892 ? 130 MET   A CB  1 
ATOM   629  C CG  . MET   A 1 88  ? 5.81424  8.08109   30.53549  1.000 19.61881 ? 130 MET   A CG  1 
ATOM   630  S SD  . MET   A 1 88  ? 5.37067  6.54036   29.72575  1.000 31.56698 ? 130 MET   A SD  1 
ATOM   631  C CE  . MET   A 1 88  ? 5.76276  6.95900   28.02992  1.000 19.36035 ? 130 MET   A CE  1 
ATOM   632  N N   . GLN   A 1 89  ? 9.37823  7.10244   33.06558  1.000 25.03568 ? 131 GLN   A N   1 
ATOM   633  C CA  . GLN   A 1 89  ? 10.63881 7.44197   33.71571  1.000 23.89808 ? 131 GLN   A CA  1 
ATOM   634  C C   . GLN   A 1 89  ? 10.84613 8.95193   33.69015  1.000 23.04080 ? 131 GLN   A C   1 
ATOM   635  O O   . GLN   A 1 89  ? 10.68052 9.59877   32.64585  1.000 21.10416 ? 131 GLN   A O   1 
ATOM   636  C CB  . GLN   A 1 89  ? 11.81395 6.73552   33.03268  1.000 17.57098 ? 131 GLN   A CB  1 
ATOM   637  C CG  . GLN   A 1 89  ? 11.58617 5.25663   32.74008  1.000 25.63228 ? 131 GLN   A CG  1 
ATOM   638  C CD  . GLN   A 1 89  ? 12.82667 4.56981   32.18517  1.000 31.85782 ? 131 GLN   A CD  1 
ATOM   639  O OE1 . GLN   A 1 89  ? 13.95696 4.90625   32.55384  1.000 39.25961 ? 131 GLN   A OE1 1 
ATOM   640  N NE2 . GLN   A 1 89  ? 12.62244 3.60516   31.29432  1.000 24.86437 ? 131 GLN   A NE2 1 
ATOM   641  N N   . LYS   A 1 90  ? 11.21015 9.50620   34.85102  1.000 17.57695 ? 132 LYS   A N   1 
ATOM   642  C CA  . LYS   A 1 90  ? 11.32594 10.95413  35.00891  1.000 17.64734 ? 132 LYS   A CA  1 
ATOM   643  C C   . LYS   A 1 90  ? 12.07813 11.64622  33.87650  1.000 15.94998 ? 132 LYS   A C   1 
ATOM   644  O O   . LYS   A 1 90  ? 11.57323 12.66175  33.37491  1.000 15.96443 ? 132 LYS   A O   1 
ATOM   645  C CB  . LYS   A 1 90  ? 11.96958 11.28428  36.36469  1.000 19.65949 ? 132 LYS   A CB  1 
ATOM   646  C CG  . LYS   A 1 90  ? 11.94445 12.76880  36.68935  1.000 17.74314 ? 132 LYS   A CG  1 
ATOM   647  C CD  . LYS   A 1 90  ? 11.86018 13.02342  38.17865  1.000 25.35242 ? 132 LYS   A CD  1 
ATOM   648  C CE  . LYS   A 1 90  ? 12.23026 14.46059  38.50011  1.000 28.43352 ? 132 LYS   A CE  1 
ATOM   649  N NZ  . LYS   A 1 90  ? 13.71508 14.64992  38.55101  1.000 37.12220 ? 132 LYS   A NZ  1 
ATOM   650  N N   . PRO   A 1 91  ? 13.25520 11.17280  33.42382  1.000 18.69121 ? 133 PRO   A N   1 
ATOM   651  C CA  . PRO   A 1 91  ? 13.94806 11.91259  32.35089  1.000 15.62332 ? 133 PRO   A CA  1 
ATOM   652  C C   . PRO   A 1 91  ? 13.11676 12.03859  31.09010  1.000 15.57714 ? 133 PRO   A C   1 
ATOM   653  O O   . PRO   A 1 91  ? 13.05478 13.12261  30.48793  1.000 13.71142 ? 133 PRO   A O   1 
ATOM   654  C CB  . PRO   A 1 91  ? 15.21650 11.07911  32.11152  1.000 14.12176 ? 133 PRO   A CB  1 
ATOM   655  C CG  . PRO   A 1 91  ? 15.38843 10.27602  33.31425  1.000 10.40673 ? 133 PRO   A CG  1 
ATOM   656  C CD  . PRO   A 1 91  ? 14.02733 9.98146   33.82742  1.000 13.06349 ? 133 PRO   A CD  1 
ATOM   657  N N   . PHE   A 1 92  ? 12.45451 10.94794  30.69114  1.000 18.26480 ? 134 PHE   A N   1 
ATOM   658  C CA  . PHE   A 1 92  ? 11.54144 10.99196  29.55302  1.000 16.87830 ? 134 PHE   A CA  1 
ATOM   659  C C   . PHE   A 1 92  ? 10.37279 11.93678  29.81779  1.000 17.18060 ? 134 PHE   A C   1 
ATOM   660  O O   . PHE   A 1 92  ? 9.98640  12.73005  28.94844  1.000 14.94388 ? 134 PHE   A O   1 
ATOM   661  C CB  . PHE   A 1 92  ? 11.03682 9.58641   29.24985  1.000 14.14069 ? 134 PHE   A CB  1 
ATOM   662  C CG  . PHE   A 1 92  ? 10.26864 9.48814   27.97290  1.000 16.76828 ? 134 PHE   A CG  1 
ATOM   663  C CD1 . PHE   A 1 92  ? 8.95228  9.91909   27.90431  1.000 11.73364 ? 134 PHE   A CD1 1 
ATOM   664  C CD2 . PHE   A 1 92  ? 10.85269 8.94769   26.84762  1.000 14.45477 ? 134 PHE   A CD2 1 
ATOM   665  C CE1 . PHE   A 1 92  ? 8.24781  9.82597   26.75127  1.000 11.10281 ? 134 PHE   A CE1 1 
ATOM   666  C CE2 . PHE   A 1 92  ? 10.14510 8.85590   25.67735  1.000 14.31369 ? 134 PHE   A CE2 1 
ATOM   667  C CZ  . PHE   A 1 92  ? 8.84041  9.29263   25.63129  1.000 17.04533 ? 134 PHE   A CZ  1 
ATOM   668  N N   . GLU   A 1 93  ? 9.78692  11.84830  31.01558  1.000 17.21107 ? 135 GLU   A N   1 
ATOM   669  C CA  . GLU   A 1 93  ? 8.65458  12.69977  31.36759  1.000 17.74636 ? 135 GLU   A CA  1 
ATOM   670  C C   . GLU   A 1 93  ? 9.03634  14.17962  31.35335  1.000 18.10478 ? 135 GLU   A C   1 
ATOM   671  O O   . GLU   A 1 93  ? 8.33536  15.01118  30.76361  1.000 16.05180 ? 135 GLU   A O   1 
ATOM   672  C CB  . GLU   A 1 93  ? 8.11281  12.29157  32.73795  1.000 17.38753 ? 135 GLU   A CB  1 
ATOM   673  C CG  . GLU   A 1 93  ? 7.11829  13.27887  33.32452  1.000 21.89387 ? 135 GLU   A CG  1 
ATOM   674  C CD  . GLU   A 1 93  ? 6.83883  13.02042  34.78884  1.000 22.69670 ? 135 GLU   A CD  1 
ATOM   675  O OE1 . GLU   A 1 93  ? 6.38759  11.89782  35.10815  1.000 26.35535 ? 135 GLU   A OE1 1 
ATOM   676  O OE2 . GLU   A 1 93  ? 7.07106  13.93630  35.61145  1.000 19.40714 ? 135 GLU   A OE2 1 
ATOM   677  N N   . ASP   A 1 94  ? 10.13950 14.53278  32.01158  1.000 17.54348 ? 136 ASP   A N   1 
ATOM   678  C CA  . ASP   A 1 94  ? 10.55770 15.93186  32.02479  1.000 21.37755 ? 136 ASP   A CA  1 
ATOM   679  C C   . ASP   A 1 94  ? 10.82419 16.43369  30.62064  1.000 13.71548 ? 136 ASP   A C   1 
ATOM   680  O O   . ASP   A 1 94  ? 10.38522 17.52814  30.24908  1.000 15.78610 ? 136 ASP   A O   1 
ATOM   681  C CB  . ASP   A 1 94  ? 11.79652 16.11825  32.90083  1.000 12.39772 ? 136 ASP   A CB  1 
ATOM   682  C CG  . ASP   A 1 94  ? 11.50229 15.85599  34.33853  1.000 13.91732 ? 136 ASP   A CG  1 
ATOM   683  O OD1 . ASP   A 1 94  ? 10.31262 15.96035  34.72629  1.000 13.61118 ? 136 ASP   A OD1 1 
ATOM   684  O OD2 . ASP   A 1 94  ? 12.44709 15.52234  35.06797  1.000 15.87444 ? 136 ASP   A OD2 1 
ATOM   685  N N   . ALA   A 1 95  ? 11.54527 15.64350  29.82390  1.000 15.37409 ? 137 ALA   A N   1 
ATOM   686  C CA  . ALA   A 1 95  ? 11.91530 16.10751  28.49324  1.000 17.47200 ? 137 ALA   A CA  1 
ATOM   687  C C   . ALA   A 1 95  ? 10.67619 16.31710  27.64112  1.000 9.76852  ? 137 ALA   A C   1 
ATOM   688  O O   . ALA   A 1 95  ? 10.54697 17.33559  26.96150  1.000 11.23465 ? 137 ALA   A O   1 
ATOM   689  C CB  . ALA   A 1 95  ? 12.87690 15.11693  27.83838  1.000 11.25573 ? 137 ALA   A CB  1 
ATOM   690  N N   . SER   A 1 96  ? 9.72863  15.38494  27.72646  1.000 13.76852 ? 138 SER   A N   1 
ATOM   691  C CA  . SER   A 1 96  ? 8.50601  15.45934  26.94087  1.000 12.25580 ? 138 SER   A CA  1 
ATOM   692  C C   . SER   A 1 96  ? 7.70362  16.70987  27.27573  1.000 17.42912 ? 138 SER   A C   1 
ATOM   693  O O   . SER   A 1 96  ? 7.18213  17.37969  26.37441  1.000 16.61771 ? 138 SER   A O   1 
ATOM   694  C CB  . SER   A 1 96  ? 7.67331  14.20522  27.18527  1.000 11.19626 ? 138 SER   A CB  1 
ATOM   695  O OG  . SER   A 1 96  ? 8.25660  13.09936  26.52634  1.000 12.64043 ? 138 SER   A OG  1 
ATOM   696  N N   . PHE   A 1 97  ? 7.59277  17.04441  28.56673  1.000 16.46259 ? 139 PHE   A N   1 
ATOM   697  C CA  . PHE   A 1 97  ? 6.81729  18.21262  28.96041  1.000 15.23629 ? 139 PHE   A CA  1 
ATOM   698  C C   . PHE   A 1 97  ? 7.54045  19.53056  28.70636  1.000 11.09120 ? 139 PHE   A C   1 
ATOM   699  O O   . PHE   A 1 97  ? 6.88118  20.56967  28.62838  1.000 10.40220 ? 139 PHE   A O   1 
ATOM   700  C CB  . PHE   A 1 97  ? 6.40672  18.09797  30.42431  1.000 13.27909 ? 139 PHE   A CB  1 
ATOM   701  C CG  . PHE   A 1 97  ? 5.20334  17.23177  30.63097  1.000 16.14326 ? 139 PHE   A CG  1 
ATOM   702  C CD1 . PHE   A 1 97  ? 5.33390  15.85336  30.70355  1.000 20.90386 ? 139 PHE   A CD1 1 
ATOM   703  C CD2 . PHE   A 1 97  ? 3.93662  17.78589  30.71154  1.000 19.47990 ? 139 PHE   A CD2 1 
ATOM   704  C CE1 . PHE   A 1 97  ? 4.23588  15.04454  30.88610  1.000 17.91853 ? 139 PHE   A CE1 1 
ATOM   705  C CE2 . PHE   A 1 97  ? 2.82485  16.98426  30.88920  1.000 21.19020 ? 139 PHE   A CE2 1 
ATOM   706  C CZ  . PHE   A 1 97  ? 2.97303  15.61223  30.97908  1.000 24.73313 ? 139 PHE   A CZ  1 
ATOM   707  N N   . ALA   A 1 98  ? 8.85900  19.51766  28.53050  1.000 13.07483 ? 140 ALA   A N   1 
ATOM   708  C CA  . ALA   A 1 98  ? 9.56094  20.74713  28.16727  1.000 14.35901 ? 140 ALA   A CA  1 
ATOM   709  C C   . ALA   A 1 98  ? 9.52084  21.05139  26.66862  1.000 14.08636 ? 140 ALA   A C   1 
ATOM   710  O O   . ALA   A 1 98  ? 10.08467 22.07018  26.24728  1.000 12.50849 ? 140 ALA   A O   1 
ATOM   711  C CB  . ALA   A 1 98  ? 11.01261 20.69426  28.65014  1.000 3.96000  ? 140 ALA   A CB  1 
ATOM   712  N N   . LEU   A 1 99  ? 8.86511  20.21712  25.85959  1.000 13.51923 ? 141 LEU   A N   1 
ATOM   713  C CA  . LEU   A 1 99  ? 8.77553  20.45535  24.42351  1.000 16.90229 ? 141 LEU   A CA  1 
ATOM   714  C C   . LEU   A 1 99  ? 7.50915  21.22873  24.04456  1.000 18.70297 ? 141 LEU   A C   1 
ATOM   715  O O   . LEU   A 1 99  ? 6.43609  21.01374  24.61727  1.000 20.06641 ? 141 LEU   A O   1 
ATOM   716  C CB  . LEU   A 1 99  ? 8.80998  19.12678  23.66477  1.000 13.99369 ? 141 LEU   A CB  1 
ATOM   717  C CG  . LEU   A 1 99  ? 10.09656 18.30677  23.70891  1.000 10.84406 ? 141 LEU   A CG  1 
ATOM   718  C CD1 . LEU   A 1 99  ? 9.79065  16.93495  23.20485  1.000 10.03408 ? 141 LEU   A CD1 1 
ATOM   719  C CD2 . LEU   A 1 99  ? 11.23681 18.94581  22.91624  1.000 6.22627  ? 141 LEU   A CD2 1 
ATOM   720  N N   . ARG   A 1 100 ? 7.64575  22.13879  23.08050  1.000 16.92555 ? 142 ARG   A N   1 
ATOM   721  C CA  . ARG   A 1 100 ? 6.48800  22.63806  22.35299  1.000 20.93061 ? 142 ARG   A CA  1 
ATOM   722  C C   . ARG   A 1 100 ? 5.94827  21.53943  21.44594  1.000 21.49078 ? 142 ARG   A C   1 
ATOM   723  O O   . ARG   A 1 100 ? 6.69715  20.67160  20.99082  1.000 20.15328 ? 142 ARG   A O   1 
ATOM   724  C CB  . ARG   A 1 100 ? 6.86498  23.85613  21.50336  1.000 29.83591 ? 142 ARG   A CB  1 
ATOM   725  C CG  . ARG   A 1 100 ? 6.71441  25.19223  22.21184  1.000 43.92288 ? 142 ARG   A CG  1 
ATOM   726  C CD  . ARG   A 1 100 ? 7.65589  26.27868  21.66855  1.000 46.59731 ? 142 ARG   A CD  1 
ATOM   727  N NE  . ARG   A 1 100 ? 8.94615  25.75382  21.23820  1.000 42.41090 ? 142 ARG   A NE  1 
ATOM   728  C CZ  . ARG   A 1 100 ? 10.04439 26.48759  21.10739  1.000 40.52024 ? 142 ARG   A CZ  1 
ATOM   729  N NH1 . ARG   A 1 100 ? 10.08425 27.75112  21.50981  1.000 28.68577 ? 142 ARG   A NH1 1 
ATOM   730  N NH2 . ARG   A 1 100 ? 11.14069 25.92954  20.59687  1.000 28.93239 ? 142 ARG   A NH2 1 
ATOM   731  N N   . THR   A 1 101 ? 4.64106  21.56640  21.17867  1.000 19.00422 ? 143 THR   A N   1 
ATOM   732  C CA  . THR   A 1 101 ? 4.12594  20.64204  20.17662  1.000 22.48205 ? 143 THR   A CA  1 
ATOM   733  C C   . THR   A 1 101 ? 4.86849  20.86365  18.86444  1.000 21.49465 ? 143 THR   A C   1 
ATOM   734  O O   . THR   A 1 101 ? 5.17290  21.99525  18.48560  1.000 20.04658 ? 143 THR   A O   1 
ATOM   735  C CB  . THR   A 1 101 ? 2.60990  20.78031  19.97617  1.000 23.36562 ? 143 THR   A CB  1 
ATOM   736  O OG1 . THR   A 1 101 ? 2.27573  22.12691  19.62793  1.000 31.34198 ? 143 THR   A OG1 1 
ATOM   737  C CG2 . THR   A 1 101 ? 1.83573  20.33082  21.21717  1.000 24.63927 ? 143 THR   A CG2 1 
ATOM   738  N N   . GLY   A 1 102 ? 5.22624  19.76056  18.21262  1.000 21.84851 ? 144 GLY   A N   1 
ATOM   739  C CA  . GLY   A 1 102 ? 6.02684  19.80128  17.01165  1.000 19.32385 ? 144 GLY   A CA  1 
ATOM   740  C C   . GLY   A 1 102 ? 7.51034  19.97868  17.22277  1.000 15.34833 ? 144 GLY   A C   1 
ATOM   741  O O   . GLY   A 1 102 ? 8.24824  20.08745  16.23664  1.000 12.16875 ? 144 GLY   A O   1 
ATOM   742  N N   . GLU   A 1 103 ? 7.97891  20.01708  18.46698  1.000 23.10547 ? 145 GLU   A N   1 
ATOM   743  C CA  . GLU   A 1 103 ? 9.40398  20.15025  18.75395  1.000 18.05992 ? 145 GLU   A CA  1 
ATOM   744  C C   . GLU   A 1 103 ? 10.03725 18.79134  19.03691  1.000 14.72708 ? 145 GLU   A C   1 
ATOM   745  O O   . GLU   A 1 103 ? 9.40997  17.90395  19.62143  1.000 10.31672 ? 145 GLU   A O   1 
ATOM   746  C CB  . GLU   A 1 103 ? 9.63999  21.08713  19.92925  1.000 15.69399 ? 145 GLU   A CB  1 
ATOM   747  C CG  . GLU   A 1 103 ? 11.07595 21.51726  20.07538  1.000 23.97952 ? 145 GLU   A CG  1 
ATOM   748  C CD  . GLU   A 1 103 ? 11.32965 22.18004  21.41616  1.000 27.58815 ? 145 GLU   A CD  1 
ATOM   749  O OE1 . GLU   A 1 103 ? 10.33126 22.43907  22.13131  1.000 24.31991 ? 145 GLU   A OE1 1 
ATOM   750  O OE2 . GLU   A 1 103 ? 12.51618 22.42995  21.74906  1.000 28.65176 ? 145 GLU   A OE2 1 
ATOM   751  N N   . MET   A 1 104 ? 11.27990 18.63265  18.59365  1.000 18.28565 ? 146 MET   A N   1 
ATOM   752  C CA  . MET   A 1 104 ? 12.03104 17.39445  18.73673  1.000 14.61852 ? 146 MET   A CA  1 
ATOM   753  C C   . MET   A 1 104 ? 13.14670 17.61065  19.74387  1.000 12.83241 ? 146 MET   A C   1 
ATOM   754  O O   . MET   A 1 104 ? 13.94150 18.54429  19.59404  1.000 12.95916 ? 146 MET   A O   1 
ATOM   755  C CB  . MET   A 1 104 ? 12.61472 16.94461  17.39370  1.000 9.59191  ? 146 MET   A CB  1 
ATOM   756  C CG  . MET   A 1 104 ? 13.00803 15.48746  17.34372  1.000 11.57276 ? 146 MET   A CG  1 
ATOM   757  S SD  . MET   A 1 104 ? 14.15072 15.06685  16.01970  1.000 17.52852 ? 146 MET   A SD  1 
ATOM   758  C CE  . MET   A 1 104 ? 15.34193 16.39681  16.11500  1.000 14.00147 ? 146 MET   A CE  1 
ATOM   759  N N   . SER   A 1 105 ? 13.20242 16.74825  20.75994  1.000 8.96340  ? 147 SER   A N   1 
ATOM   760  C CA  . SER   A 1 105 ? 14.26489 16.80069  21.75312  1.000 7.32684  ? 147 SER   A CA  1 
ATOM   761  C C   . SER   A 1 105 ? 15.60762 16.43986  21.12252  1.000 7.58088  ? 147 SER   A C   1 
ATOM   762  O O   . SER   A 1 105 ? 15.68409 15.91573  20.00767  1.000 11.58928 ? 147 SER   A O   1 
ATOM   763  C CB  . SER   A 1 105 ? 13.95681 15.85124  22.91764  1.000 7.90252  ? 147 SER   A CB  1 
ATOM   764  O OG  . SER   A 1 105 ? 14.40641 14.52415  22.65065  1.000 7.39405  ? 147 SER   A OG  1 
ATOM   765  N N   . GLY   A 1 106 ? 16.68094 16.72780  21.85819  1.000 6.89267  ? 148 GLY   A N   1 
ATOM   766  C CA  . GLY   A 1 106 ? 17.95879 16.10034  21.61474  1.000 6.35842  ? 148 GLY   A CA  1 
ATOM   767  C C   . GLY   A 1 106 ? 17.97505 14.71977  22.23867  1.000 6.93480  ? 148 GLY   A C   1 
ATOM   768  O O   . GLY   A 1 106 ? 16.92373 14.10725  22.44584  1.000 4.84116  ? 148 GLY   A O   1 
ATOM   769  N N   . PRO   A 1 107 ? 19.16349 14.20360  22.56047  1.000 10.27899 ? 149 PRO   A N   1 
ATOM   770  C CA  . PRO   A 1 107 ? 19.23949 12.91091  23.25618  1.000 5.42804  ? 149 PRO   A CA  1 
ATOM   771  C C   . PRO   A 1 107 ? 18.58251 12.96541  24.63329  1.000 6.39750  ? 149 PRO   A C   1 
ATOM   772  O O   . PRO   A 1 107 ? 18.58235 13.99875  25.30435  1.000 8.80307  ? 149 PRO   A O   1 
ATOM   773  C CB  . PRO   A 1 107 ? 20.74503 12.65507  23.35754  1.000 5.81096  ? 149 PRO   A CB  1 
ATOM   774  C CG  . PRO   A 1 107 ? 21.36248 13.51653  22.26669  1.000 7.26856  ? 149 PRO   A CG  1 
ATOM   775  C CD  . PRO   A 1 107 ? 20.49604 14.73094  22.21473  1.000 8.39537  ? 149 PRO   A CD  1 
ATOM   776  N N   . VAL   A 1 108 ? 17.97283 11.85020  25.03224  1.000 6.10941  ? 150 VAL   A N   1 
ATOM   777  C CA  . VAL   A 1 108 ? 17.34364 11.71374  26.34339  1.000 6.38626  ? 150 VAL   A CA  1 
ATOM   778  C C   . VAL   A 1 108 ? 17.71458 10.34444  26.88909  1.000 7.69509  ? 150 VAL   A C   1 
ATOM   779  O O   . VAL   A 1 108 ? 17.44064 9.32044   26.25551  1.000 11.97636 ? 150 VAL   A O   1 
ATOM   780  C CB  . VAL   A 1 108 ? 15.81050 11.87316  26.30707  1.000 7.03641  ? 150 VAL   A CB  1 
ATOM   781  C CG1 . VAL   A 1 108 ? 15.20146 11.46820  27.65553  1.000 8.54767  ? 150 VAL   A CG1 1 
ATOM   782  C CG2 . VAL   A 1 108 ? 15.41899 13.30463  25.96747  1.000 3.89707  ? 150 VAL   A CG2 1 
ATOM   783  N N   . PHE   A 1 109 ? 18.32543 10.31733  28.05708  1.000 10.95440 ? 151 PHE   A N   1 
ATOM   784  C CA  . PHE   A 1 109 ? 18.81834 9.08199   28.63355  1.000 8.40964  ? 151 PHE   A CA  1 
ATOM   785  C C   . PHE   A 1 109 ? 17.87277 8.61360   29.72951  1.000 10.45658 ? 151 PHE   A C   1 
ATOM   786  O O   . PHE   A 1 109 ? 17.55621 9.37335   30.64845  1.000 12.87369 ? 151 PHE   A O   1 
ATOM   787  C CB  . PHE   A 1 109 ? 20.22505 9.28207   29.17179  1.000 6.13502  ? 151 PHE   A CB  1 
ATOM   788  C CG  . PHE   A 1 109 ? 21.26436 9.37231   28.10043  1.000 10.10334 ? 151 PHE   A CG  1 
ATOM   789  C CD1 . PHE   A 1 109 ? 21.41455 10.52678  27.35823  1.000 9.15812  ? 151 PHE   A CD1 1 
ATOM   790  C CD2 . PHE   A 1 109 ? 22.08447 8.29206   27.81770  1.000 9.31224  ? 151 PHE   A CD2 1 
ATOM   791  C CE1 . PHE   A 1 109 ? 22.39042 10.61962  26.38703  1.000 7.66058  ? 151 PHE   A CE1 1 
ATOM   792  C CE2 . PHE   A 1 109 ? 23.05404 8.38034   26.84645  1.000 10.97564 ? 151 PHE   A CE2 1 
ATOM   793  C CZ  . PHE   A 1 109 ? 23.20820 9.55005   26.13138  1.000 9.30503  ? 151 PHE   A CZ  1 
ATOM   794  N N   . THR   A 1 110 ? 17.39437 7.37937   29.60242  1.000 9.64059  ? 152 THR   A N   1 
ATOM   795  C CA  . THR   A 1 110 ? 16.65828 6.69260   30.64709  1.000 11.32404 ? 152 THR   A CA  1 
ATOM   796  C C   . THR   A 1 110 ? 17.24659 5.29696   30.80142  1.000 13.37393 ? 152 THR   A C   1 
ATOM   797  O O   . THR   A 1 110 ? 18.13793 4.89667   30.05432  1.000 13.39219 ? 152 THR   A O   1 
ATOM   798  C CB  . THR   A 1 110 ? 15.15280 6.62903   30.34575  1.000 13.84199 ? 152 THR   A CB  1 
ATOM   799  O OG1 . THR   A 1 110 ? 14.86983 5.51136   29.50222  1.000 17.23439 ? 152 THR   A OG1 1 
ATOM   800  C CG2 . THR   A 1 110 ? 14.67420 7.91179   29.68547  1.000 11.78827 ? 152 THR   A CG2 1 
ATOM   801  N N   . ASP   A 1 111 ? 16.76034 4.56068   31.80425  1.000 17.96742 ? 153 ASP   A N   1 
ATOM   802  C CA  . ASP   A 1 111 ? 17.23601 3.19569   32.01504  1.000 16.34077 ? 153 ASP   A CA  1 
ATOM   803  C C   . ASP   A 1 111 ? 16.96151 2.31499   30.79638  1.000 19.86906 ? 153 ASP   A C   1 
ATOM   804  O O   . ASP   A 1 111 ? 17.69400 1.34896   30.54415  1.000 13.75730 ? 153 ASP   A O   1 
ATOM   805  C CB  . ASP   A 1 111 ? 16.58021 2.59401   33.27012  1.000 18.54428 ? 153 ASP   A CB  1 
ATOM   806  C CG  . ASP   A 1 111 ? 17.02917 3.27118   34.56429  1.000 23.06528 ? 153 ASP   A CG  1 
ATOM   807  O OD1 . ASP   A 1 111 ? 18.23026 3.60172   34.70595  1.000 28.04865 ? 153 ASP   A OD1 1 
ATOM   808  O OD2 . ASP   A 1 111 ? 16.17890 3.46968   35.45525  1.000 29.30641 ? 153 ASP   A OD2 1 
ATOM   809  N N   . SER   A 1 112 ? 15.91195 2.63089   30.03067  1.000 17.52307 ? 154 SER   A N   1 
ATOM   810  C CA  . SER   A 1 112 ? 15.61779 1.88272   28.81838  1.000 13.69487 ? 154 SER   A CA  1 
ATOM   811  C C   . SER   A 1 112 ? 16.67301 2.07928   27.73166  1.000 15.17819 ? 154 SER   A C   1 
ATOM   812  O O   . SER   A 1 112 ? 16.83511 1.19415   26.88279  1.000 10.83284 ? 154 SER   A O   1 
ATOM   813  C CB  . SER   A 1 112 ? 14.24663 2.28828   28.27534  1.000 19.47494 ? 154 SER   A CB  1 
ATOM   814  O OG  . SER   A 1 112 ? 13.21270 1.58752   28.93427  1.000 29.02940 ? 154 SER   A OG  1 
ATOM   815  N N   . GLY   A 1 113 ? 17.38536 3.21082   27.73312  1.000 12.15076 ? 155 GLY   A N   1 
ATOM   816  C CA  . GLY   A 1 113 ? 18.28548 3.55453   26.64433  1.000 10.62762 ? 155 GLY   A CA  1 
ATOM   817  C C   . GLY   A 1 113 ? 18.24061 5.02454   26.25435  1.000 11.55141 ? 155 GLY   A C   1 
ATOM   818  O O   . GLY   A 1 113 ? 17.88942 5.88774   27.07113  1.000 11.50967 ? 155 GLY   A O   1 
ATOM   819  N N   . ILE   A 1 114 ? 18.58229 5.32683   25.00316  1.000 9.22308  ? 156 ILE   A N   1 
ATOM   820  C CA  . ILE   A 1 114 ? 18.64789 6.70219   24.51995  1.000 12.60670 ? 156 ILE   A CA  1 
ATOM   821  C C   . ILE   A 1 114 ? 17.46122 6.99747   23.60800  1.000 12.91095 ? 156 ILE   A C   1 
ATOM   822  O O   . ILE   A 1 114 ? 17.09793 6.18755   22.73927  1.000 10.22951 ? 156 ILE   A O   1 
ATOM   823  C CB  . ILE   A 1 114 ? 19.97724 6.99444   23.80309  1.000 13.13672 ? 156 ILE   A CB  1 
ATOM   824  C CG1 . ILE   A 1 114 ? 21.13044 6.36088   24.59117  1.000 7.29929  ? 156 ILE   A CG1 1 
ATOM   825  C CG2 . ILE   A 1 114 ? 20.14896 8.52788   23.63337  1.000 7.61282  ? 156 ILE   A CG2 1 
ATOM   826  C CD1 . ILE   A 1 114 ? 22.48252 6.49962   23.92203  1.000 7.44455  ? 156 ILE   A CD1 1 
ATOM   827  N N   . HIS   A 1 115 ? 16.86536 8.17175   23.80366  1.000 7.06282  ? 157 HIS   A N   1 
ATOM   828  C CA  . HIS   A 1 115 ? 15.60719 8.52132   23.16984  1.000 10.11809 ? 157 HIS   A CA  1 
ATOM   829  C C   . HIS   A 1 115 ? 15.78637 9.78845   22.36086  1.000 10.94152 ? 157 HIS   A C   1 
ATOM   830  O O   . HIS   A 1 115 ? 16.54816 10.67444  22.76031  1.000 7.55903  ? 157 HIS   A O   1 
ATOM   831  C CB  . HIS   A 1 115 ? 14.47724 8.76340   24.19110  1.000 9.74557  ? 157 HIS   A CB  1 
ATOM   832  C CG  . HIS   A 1 115 ? 14.09842 7.55603   24.99152  1.000 12.03104 ? 157 HIS   A CG  1 
ATOM   833  N ND1 . HIS   A 1 115 ? 13.04107 6.74439   24.65237  1.000 10.16037 ? 157 HIS   A ND1 1 
ATOM   834  C CD2 . HIS   A 1 115 ? 14.61571 7.04295   26.13303  1.000 12.84192 ? 157 HIS   A CD2 1 
ATOM   835  C CE1 . HIS   A 1 115 ? 12.93348 5.77354   25.53849  1.000 13.96933 ? 157 HIS   A CE1 1 
ATOM   836  N NE2 . HIS   A 1 115 ? 13.88024 5.92863   26.44503  1.000 12.93853 ? 157 HIS   A NE2 1 
ATOM   837  N N   . ILE   A 1 116 ? 15.08983 9.84730   21.21581  1.000 9.65259  ? 158 ILE   A N   1 
ATOM   838  C CA  . ILE   A 1 116 ? 14.67819 11.09646  20.58824  1.000 9.60087  ? 158 ILE   A CA  1 
ATOM   839  C C   . ILE   A 1 116 ? 13.17182 11.19005  20.80765  1.000 11.06409 ? 158 ILE   A C   1 
ATOM   840  O O   . ILE   A 1 116 ? 12.45361 10.19404  20.65159  1.000 11.14485 ? 158 ILE   A O   1 
ATOM   841  C CB  . ILE   A 1 116 ? 14.98394 11.15155  19.07980  1.000 11.64328 ? 158 ILE   A CB  1 
ATOM   842  C CG1 . ILE   A 1 116 ? 16.46432 11.14042  18.78718  1.000 11.70457 ? 158 ILE   A CG1 1 
ATOM   843  C CG2 . ILE   A 1 116 ? 14.57628 12.48812  18.53512  1.000 21.56451 ? 158 ILE   A CG2 1 
ATOM   844  C CD1 . ILE   A 1 116 ? 16.74357 10.44094  17.45388  1.000 9.45554  ? 158 ILE   A CD1 1 
ATOM   845  N N   . ILE   A 1 117 ? 12.68731 12.36708  21.18379  1.000 9.70622  ? 159 ILE   A N   1 
ATOM   846  C CA  . ILE   A 1 117 ? 11.26955 12.56147  21.45288  1.000 8.40361  ? 159 ILE   A CA  1 
ATOM   847  C C   . ILE   A 1 117 ? 10.74899 13.66423  20.54821  1.000 11.95781 ? 159 ILE   A C   1 
ATOM   848  O O   . ILE   A 1 117 ? 11.47736 14.60389  20.21457  1.000 10.83452 ? 159 ILE   A O   1 
ATOM   849  C CB  . ILE   A 1 117 ? 11.00036 12.88406  22.93542  1.000 10.82623 ? 159 ILE   A CB  1 
ATOM   850  C CG1 . ILE   A 1 117 ? 11.60970 11.78928  23.82175  1.000 6.26295  ? 159 ILE   A CG1 1 
ATOM   851  C CG2 . ILE   A 1 117 ? 9.49529  13.07272  23.19080  1.000 7.50281  ? 159 ILE   A CG2 1 
ATOM   852  C CD1 . ILE   A 1 117 ? 11.64678 12.13185  25.23099  1.000 5.83646  ? 159 ILE   A CD1 1 
ATOM   853  N N   . LEU   A 1 118 ? 9.49890  13.51451  20.11205  1.000 14.75815 ? 160 LEU   A N   1 
ATOM   854  C CA  . LEU   A 1 118 ? 8.79648  14.52568  19.33346  1.000 13.54587 ? 160 LEU   A CA  1 
ATOM   855  C C   . LEU   A 1 118 ? 7.41510  14.70545  19.95075  1.000 17.45418 ? 160 LEU   A C   1 
ATOM   856  O O   . LEU   A 1 118 ? 6.58786  13.78647  19.91453  1.000 17.32832 ? 160 LEU   A O   1 
ATOM   857  C CB  . LEU   A 1 118 ? 8.70777  14.11555  17.86326  1.000 14.77550 ? 160 LEU   A CB  1 
ATOM   858  C CG  . LEU   A 1 118 ? 7.60840  14.69820  16.97195  1.000 13.26262 ? 160 LEU   A CG  1 
ATOM   859  C CD1 . LEU   A 1 118 ? 7.89623  16.12909  16.58926  1.000 12.97462 ? 160 LEU   A CD1 1 
ATOM   860  C CD2 . LEU   A 1 118 ? 7.44008  13.82818  15.73846  1.000 18.62665 ? 160 LEU   A CD2 1 
ATOM   861  N N   . ARG   A 1 119 ? 7.17415  15.86981  20.54847  1.000 18.33967 ? 161 ARG   A N   1 
ATOM   862  C CA  . ARG   A 1 119 ? 5.84343  16.16275  21.05494  1.000 16.90112 ? 161 ARG   A CA  1 
ATOM   863  C C   . ARG   A 1 119 ? 4.91951  16.49876  19.89364  1.000 17.81868 ? 161 ARG   A C   1 
ATOM   864  O O   . ARG   A 1 119 ? 5.24863  17.33826  19.05175  1.000 11.29505 ? 161 ARG   A O   1 
ATOM   865  C CB  . ARG   A 1 119 ? 5.87588  17.31632  22.06060  1.000 17.77875 ? 161 ARG   A CB  1 
ATOM   866  C CG  . ARG   A 1 119 ? 4.49815  17.59157  22.70742  1.000 22.78937 ? 161 ARG   A CG  1 
ATOM   867  C CD  . ARG   A 1 119 ? 4.55860  18.63094  23.81585  1.000 20.10153 ? 161 ARG   A CD  1 
ATOM   868  N NE  . ARG   A 1 119 ? 3.22800  19.00181  24.29210  1.000 26.78453 ? 161 ARG   A NE  1 
ATOM   869  C CZ  . ARG   A 1 119 ? 2.86656  20.22479  24.66544  1.000 20.36618 ? 161 ARG   A CZ  1 
ATOM   870  N NH1 . ARG   A 1 119 ? 3.71544  21.23637  24.64670  1.000 19.04609 ? 161 ARG   A NH1 1 
ATOM   871  N NH2 . ARG   A 1 119 ? 1.61945  20.43849  25.06711  1.000 28.00101 ? 161 ARG   A NH2 1 
ATOM   872  N N   . THR   A 1 120 ? 3.75604  15.84715  19.86633  1.000 20.69976 ? 162 THR   A N   1 
ATOM   873  C CA  . THR   A 1 120 ? 2.72415  16.04589  18.85174  1.000 16.55694 ? 162 THR   A CA  1 
ATOM   874  C C   . THR   A 1 120 ? 1.47359  16.74271  19.38294  1.000 24.35299 ? 162 THR   A C   1 
ATOM   875  O O   . THR   A 1 120 ? 0.90747  17.59042  18.68718  1.000 29.37691 ? 162 THR   A O   1 
ATOM   876  C CB  . THR   A 1 120 ? 2.34243  14.69147  18.23590  1.000 14.77394 ? 162 THR   A CB  1 
ATOM   877  O OG1 . THR   A 1 120 ? 1.90481  13.79775  19.26604  1.000 16.72072 ? 162 THR   A OG1 1 
ATOM   878  C CG2 . THR   A 1 120 ? 3.54903  14.05982  17.53666  1.000 12.38034 ? 162 THR   A CG2 1 
ATOM   879  N N   . GLU   A 1 121 ? 1.02694  16.42058  20.60086  1.000 23.22527 ? 163 GLU   A N   1 
ATOM   880  C CA  . GLU   A 1 121 ? -0.13614 17.07444  21.22811  1.000 22.11910 ? 163 GLU   A CA  1 
ATOM   881  C C   . GLU   A 1 121 ? 0.20245  17.60896  22.63424  1.000 27.30776 ? 163 GLU   A C   1 
ATOM   882  O O   . GLU   A 1 121 ? 1.11067  17.14374  23.33916  1.000 27.83569 ? 163 GLU   A O   1 
ATOM   883  C CB  . GLU   A 1 121 ? -1.34129 16.11224  21.32729  1.000 15.73771 ? 163 GLU   A CB  1 
ATOM   884  C CG  . GLU   A 1 121 ? -1.91136 15.62926  19.98825  1.000 21.59992 ? 163 GLU   A CG  1 
ATOM   885  C CD  . GLU   A 1 121 ? -3.05221 14.61048  20.13596  1.000 28.27668 ? 163 GLU   A CD  1 
ATOM   886  O OE1 . GLU   A 1 121 ? -3.55427 14.39887  21.26770  1.000 27.62663 ? 163 GLU   A OE1 1 
ATOM   887  O OE2 . GLU   A 1 121 ? -3.43449 14.00094  19.11003  1.000 27.35269 ? 163 GLU   A OE2 1 
ATOM   888  O OXT . GLU   A 1 121 ? -0.44544 18.53321  23.12142  1.000 23.58497 ? 163 GLU   A OXT 1 
ATOM   889  N N   . GLN   B 1 7   ? 6.75019  15.10479  -11.84049 1.000 37.93647 ? 49  GLN   B N   1 
ATOM   890  C CA  . GLN   B 1 7   ? 5.82229  15.63401  -12.84578 1.000 48.76264 ? 49  GLN   B CA  1 
ATOM   891  C C   . GLN   B 1 7   ? 6.10733  15.02673  -14.22790 1.000 51.90095 ? 49  GLN   B C   1 
ATOM   892  O O   . GLN   B 1 7   ? 7.27155  14.84509  -14.60962 1.000 46.89059 ? 49  GLN   B O   1 
ATOM   893  C CB  . GLN   B 1 7   ? 5.90192  17.16583  -12.88940 1.000 41.04870 ? 49  GLN   B CB  1 
ATOM   894  C CG  . GLN   B 1 7   ? 6.43892  17.73883  -14.19288 1.000 49.39645 ? 49  GLN   B CG  1 
ATOM   895  C CD  . GLN   B 1 7   ? 6.17210  19.22377  -14.33754 1.000 53.71887 ? 49  GLN   B CD  1 
ATOM   896  O OE1 . GLN   B 1 7   ? 7.10381  20.02776  -14.39810 1.000 48.49979 ? 49  GLN   B OE1 1 
ATOM   897  N NE2 . GLN   B 1 7   ? 4.89553  19.59640  -14.39583 1.000 54.40694 ? 49  GLN   B NE2 1 
ATOM   898  N N   . GLY   B 1 8   ? 5.03972  14.70340  -14.96605 1.000 50.78330 ? 50  GLY   B N   1 
ATOM   899  C CA  . GLY   B 1 8   ? 5.15722  13.94533  -16.20273 1.000 37.57075 ? 50  GLY   B CA  1 
ATOM   900  C C   . GLY   B 1 8   ? 5.51683  12.48426  -16.01813 1.000 38.77141 ? 50  GLY   B C   1 
ATOM   901  O O   . GLY   B 1 8   ? 5.73079  11.78004  -17.00837 1.000 35.20411 ? 50  GLY   B O   1 
ATOM   902  N N   . GLU   B 1 9   ? 5.58742  12.01280  -14.77518 1.000 40.51129 ? 51  GLU   B N   1 
ATOM   903  C CA  . GLU   B 1 9   ? 5.93096  10.65663  -14.37017 1.000 38.50376 ? 51  GLU   B CA  1 
ATOM   904  C C   . GLU   B 1 9   ? 5.20616  9.61172   -15.21471 1.000 41.85163 ? 51  GLU   B C   1 
ATOM   905  O O   . GLU   B 1 9   ? 4.08207  9.85739   -15.67365 1.000 36.95711 ? 51  GLU   B O   1 
ATOM   906  C CB  . GLU   B 1 9   ? 5.58531  10.48107  -12.88805 1.000 38.11343 ? 51  GLU   B CB  1 
ATOM   907  C CG  . GLU   B 1 9   ? 5.73636  9.07596   -12.35363 1.000 37.14998 ? 51  GLU   B CG  1 
ATOM   908  C CD  . GLU   B 1 9   ? 4.76122  8.76367   -11.23474 1.000 39.69750 ? 51  GLU   B CD  1 
ATOM   909  O OE1 . GLU   B 1 9   ? 3.65706  8.24266   -11.51897 1.000 41.03900 ? 51  GLU   B OE1 1 
ATOM   910  O OE2 . GLU   B 1 9   ? 5.10037  9.05145   -10.06880 1.000 32.74369 ? 51  GLU   B OE2 1 
ATOM   911  N N   . PRO   B 1 10  ? 5.81712  8.44986   -15.46386 1.000 41.01224 ? 52  PRO   B N   1 
ATOM   912  C CA  . PRO   B 1 10  ? 5.06207  7.33765   -16.06218 1.000 38.92125 ? 52  PRO   B CA  1 
ATOM   913  C C   . PRO   B 1 10  ? 3.98666  6.81207   -15.11435 1.000 40.61544 ? 52  PRO   B C   1 
ATOM   914  O O   . PRO   B 1 10  ? 4.19892  6.68282   -13.90222 1.000 32.43931 ? 52  PRO   B O   1 
ATOM   915  C CB  . PRO   B 1 10  ? 6.12721  6.26670   -16.34338 1.000 27.24878 ? 52  PRO   B CB  1 
ATOM   916  C CG  . PRO   B 1 10  ? 7.41682  6.80120   -15.89594 1.000 34.30892 ? 52  PRO   B CG  1 
ATOM   917  C CD  . PRO   B 1 10  ? 7.25249  8.16263   -15.30826 1.000 38.56538 ? 52  PRO   B CD  1 
ATOM   918  N N   . ALA   B 1 11  ? 2.81711  6.50723   -15.68916 1.000 33.62059 ? 53  ALA   B N   1 
ATOM   919  C CA  . ALA   B 1 11  ? 1.71105  5.99353   -14.88534 1.000 38.44311 ? 53  ALA   B CA  1 
ATOM   920  C C   . ALA   B 1 11  ? 2.11282  4.71815   -14.15106 1.000 38.74948 ? 53  ALA   B C   1 
ATOM   921  O O   . ALA   B 1 11  ? 1.74172  4.51215   -12.98787 1.000 34.95534 ? 53  ALA   B O   1 
ATOM   922  C CB  . ALA   B 1 11  ? 0.48406  5.74623   -15.76752 1.000 20.87785 ? 53  ALA   B CB  1 
ATOM   923  N N   . ARG   B 1 12  ? 2.89323  3.86358   -14.80273 1.000 31.55973 ? 54  ARG   B N   1 
ATOM   924  C CA  . ARG   B 1 12  ? 3.28835  2.59285   -14.22867 1.000 25.82263 ? 54  ARG   B CA  1 
ATOM   925  C C   . ARG   B 1 12  ? 4.79177  2.41649   -14.35081 1.000 27.74380 ? 54  ARG   B C   1 
ATOM   926  O O   . ARG   B 1 12  ? 5.36884  2.71955   -15.39979 1.000 33.75359 ? 54  ARG   B O   1 
ATOM   927  C CB  . ARG   B 1 12  ? 2.54362  1.45362   -14.91926 1.000 24.33040 ? 54  ARG   B CB  1 
ATOM   928  C CG  . ARG   B 1 12  ? 1.04420  1.74161   -15.03974 1.000 29.43483 ? 54  ARG   B CG  1 
ATOM   929  C CD  . ARG   B 1 12  ? 0.22400  0.48509   -15.15701 1.000 25.61682 ? 54  ARG   B CD  1 
ATOM   930  N NE  . ARG   B 1 12  ? 0.66092  -0.31376  -16.29416 1.000 28.66934 ? 54  ARG   B NE  1 
ATOM   931  C CZ  . ARG   B 1 12  ? 0.43176  -1.61239  -16.41506 1.000 28.62234 ? 54  ARG   B CZ  1 
ATOM   932  N NH1 . ARG   B 1 12  ? -0.31284 -2.26590  -15.53276 1.000 25.42978 ? 54  ARG   B NH1 1 
ATOM   933  N NH2 . ARG   B 1 12  ? 0.97251  -2.27348  -17.43577 1.000 23.59626 ? 54  ARG   B NH2 1 
ATOM   934  N N   . VAL   B 1 13  ? 5.42572  1.97271   -13.25435 1.000 21.18014 ? 55  VAL   B N   1 
ATOM   935  C CA  . VAL   B 1 13  ? 6.75359  1.36763   -13.29983 1.000 16.32568 ? 55  VAL   B CA  1 
ATOM   936  C C   . VAL   B 1 13  ? 6.57683  -0.14034  -13.22194 1.000 16.18140 ? 55  VAL   B C   1 
ATOM   937  O O   . VAL   B 1 13  ? 5.57494  -0.65082  -12.70753 1.000 12.83196 ? 55  VAL   B O   1 
ATOM   938  C CB  . VAL   B 1 13  ? 7.70626  1.84636   -12.17381 1.000 14.43718 ? 55  VAL   B CB  1 
ATOM   939  C CG1 . VAL   B 1 13  ? 8.04987  3.29419   -12.33155 1.000 17.40680 ? 55  VAL   B CG1 1 
ATOM   940  C CG2 . VAL   B 1 13  ? 7.08823  1.58039   -10.78644 1.000 16.10361 ? 55  VAL   B CG2 1 
ATOM   941  N N   . ARG   B 1 14  ? 7.56991  -0.86155  -13.74328 1.000 17.30426 ? 56  ARG   B N   1 
ATOM   942  C CA  . ARG   B 1 14  ? 7.72232  -2.29322  -13.52329 1.000 15.06301 ? 56  ARG   B CA  1 
ATOM   943  C C   . ARG   B 1 14  ? 8.90360  -2.55479  -12.60799 1.000 17.39082 ? 56  ARG   B C   1 
ATOM   944  O O   . ARG   B 1 14  ? 9.94546  -1.89514  -12.72497 1.000 14.30681 ? 56  ARG   B O   1 
ATOM   945  C CB  . ARG   B 1 14  ? 7.93761  -3.05989  -14.81695 1.000 11.66953 ? 56  ARG   B CB  1 
ATOM   946  C CG  . ARG   B 1 14  ? 7.36062  -4.42820  -14.70048 1.000 16.07180 ? 56  ARG   B CG  1 
ATOM   947  C CD  . ARG   B 1 14  ? 7.97812  -5.39867  -15.66099 1.000 20.46743 ? 56  ARG   B CD  1 
ATOM   948  N NE  . ARG   B 1 14  ? 7.22312  -6.64092  -15.63631 1.000 19.45270 ? 56  ARG   B NE  1 
ATOM   949  C CZ  . ARG   B 1 14  ? 7.01449  -7.41138  -16.69018 1.000 23.55417 ? 56  ARG   B CZ  1 
ATOM   950  N NH1 . ARG   B 1 14  ? 7.50977  -7.10346  -17.87882 1.000 32.83003 ? 56  ARG   B NH1 1 
ATOM   951  N NH2 . ARG   B 1 14  ? 6.28529  -8.51608  -16.54894 1.000 23.04169 ? 56  ARG   B NH2 1 
ATOM   952  N N   . CYS   B 1 15  ? 8.74519  -3.53925  -11.71522 1.000 15.73456 ? 57  CYS   B N   1 
ATOM   953  C CA  . CYS   B 1 15  ? 9.76011  -3.82748  -10.71207 1.000 16.60980 ? 57  CYS   B CA  1 
ATOM   954  C C   . CYS   B 1 15  ? 9.83755  -5.32089  -10.42732 1.000 17.54665 ? 57  CYS   B C   1 
ATOM   955  O O   . CYS   B 1 15  ? 8.83654  -6.04186  -10.47607 1.000 21.12293 ? 57  CYS   B O   1 
ATOM   956  C CB  . CYS   B 1 15  ? 9.49883  -3.05670  -9.39764  1.000 11.75958 ? 57  CYS   B CB  1 
ATOM   957  S SG  . CYS   B 1 15  ? 10.03723 -1.30761  -9.45024  1.000 13.64299 ? 57  CYS   B SG  1 
ATOM   958  N N   . SER   B 1 16  ? 11.05373 -5.77251  -10.15018 1.000 13.90140 ? 58  SER   B N   1 
ATOM   959  C CA  . SER   B 1 16  ? 11.32579 -7.05143  -9.51982  1.000 14.12884 ? 58  SER   B CA  1 
ATOM   960  C C   . SER   B 1 16  ? 11.79296 -6.78018  -8.09411  1.000 19.42796 ? 58  SER   B C   1 
ATOM   961  O O   . SER   B 1 16  ? 12.40334 -5.74066  -7.81375  1.000 20.00710 ? 58  SER   B O   1 
ATOM   962  C CB  . SER   B 1 16  ? 12.40056 -7.83308  -10.29229 1.000 17.83373 ? 58  SER   B CB  1 
ATOM   963  O OG  . SER   B 1 16  ? 12.03030 -8.06214  -11.65293 1.000 16.56557 ? 58  SER   B OG  1 
ATOM   964  N N   . HIS   B 1 17  ? 11.50435 -7.70005  -7.17753  1.000 20.15326 ? 59  HIS   B N   1 
ATOM   965  C CA  . HIS   B 1 17  ? 11.93903 -7.47876  -5.80556  1.000 15.44504 ? 59  HIS   B CA  1 
ATOM   966  C C   . HIS   B 1 17  ? 12.35775 -8.77789  -5.13548  1.000 16.16020 ? 59  HIS   B C   1 
ATOM   967  O O   . HIS   B 1 17  ? 12.05419 -9.88294  -5.59211  1.000 17.35607 ? 59  HIS   B O   1 
ATOM   968  C CB  . HIS   B 1 17  ? 10.86129 -6.79984  -4.95960  1.000 12.86661 ? 59  HIS   B CB  1 
ATOM   969  C CG  . HIS   B 1 17  ? 9.77430  -7.72449  -4.51209  1.000 14.95642 ? 59  HIS   B CG  1 
ATOM   970  N ND1 . HIS   B 1 17  ? 9.29220  -7.73798  -3.21984  1.000 13.79174 ? 59  HIS   B ND1 1 
ATOM   971  C CD2 . HIS   B 1 17  ? 9.06393  -8.65748  -5.18864  1.000 17.18823 ? 59  HIS   B CD2 1 
ATOM   972  C CE1 . HIS   B 1 17  ? 8.33006  -8.63523  -3.12096  1.000 16.50614 ? 59  HIS   B CE1 1 
ATOM   973  N NE2 . HIS   B 1 17  ? 8.17317  -9.21020  -4.30010  1.000 19.79055 ? 59  HIS   B NE2 1 
ATOM   974  N N   . LEU   B 1 18  ? 13.08725 -8.60423  -4.03905  1.000 15.52190 ? 60  LEU   B N   1 
ATOM   975  C CA  . LEU   B 1 18  ? 13.49314 -9.67613  -3.14569  1.000 14.27494 ? 60  LEU   B CA  1 
ATOM   976  C C   . LEU   B 1 18  ? 13.06365 -9.27053  -1.74098  1.000 15.00438 ? 60  LEU   B C   1 
ATOM   977  O O   . LEU   B 1 18  ? 13.49571 -8.23447  -1.22516  1.000 12.00143 ? 60  LEU   B O   1 
ATOM   978  C CB  . LEU   B 1 18  ? 15.01038 -9.92672  -3.21641  1.000 16.10922 ? 60  LEU   B CB  1 
ATOM   979  C CG  . LEU   B 1 18  ? 15.53753 -11.24920 -2.63137  1.000 19.07450 ? 60  LEU   B CG  1 
ATOM   980  C CD1 . LEU   B 1 18  ? 16.91983 -11.57666 -3.17472  1.000 15.31410 ? 60  LEU   B CD1 1 
ATOM   981  C CD2 . LEU   B 1 18  ? 15.53589 -11.27538 -1.07880  1.000 9.06678  ? 60  LEU   B CD2 1 
ATOM   982  N N   . LEU   B 1 19  ? 12.21122 -10.07946 -1.12863  1.000 17.69224 ? 61  LEU   B N   1 
ATOM   983  C CA  . LEU   B 1 19  ? 11.65516 -9.77787  0.17694   1.000 14.65579 ? 61  LEU   B CA  1 
ATOM   984  C C   . LEU   B 1 19  ? 12.23266 -10.73670 1.21056   1.000 14.89367 ? 61  LEU   B C   1 
ATOM   985  O O   . LEU   B 1 19  ? 12.19665 -11.95964 1.02727   1.000 12.02944 ? 61  LEU   B O   1 
ATOM   986  C CB  . LEU   B 1 19  ? 10.13171 -9.86556  0.14133   1.000 10.50091 ? 61  LEU   B CB  1 
ATOM   987  C CG  . LEU   B 1 19  ? 9.44029  -9.72826  1.48973   1.000 13.53223 ? 61  LEU   B CG  1 
ATOM   988  C CD1 . LEU   B 1 19  ? 9.67486  -8.36246  2.11196   1.000 10.50049 ? 61  LEU   B CD1 1 
ATOM   989  C CD2 . LEU   B 1 19  ? 7.97726  -9.99977  1.30254   1.000 11.85395 ? 61  LEU   B CD2 1 
ATOM   990  N N   . VAL   B 1 20  ? 12.78326 -10.18426 2.28149   1.000 10.93889 ? 62  VAL   B N   1 
ATOM   991  C CA  . VAL   B 1 20  ? 13.16108 -10.98222 3.43471   1.000 15.88893 ? 62  VAL   B CA  1 
ATOM   992  C C   . VAL   B 1 20  ? 12.22495 -10.60992 4.57540   1.000 14.45815 ? 62  VAL   B C   1 
ATOM   993  O O   . VAL   B 1 20  ? 12.29758 -9.49944  5.11381   1.000 12.35558 ? 62  VAL   B O   1 
ATOM   994  C CB  . VAL   B 1 20  ? 14.62215 -10.78083 3.83083   1.000 11.33001 ? 62  VAL   B CB  1 
ATOM   995  C CG1 . VAL   B 1 20  ? 14.89562 -11.60622 5.07451   1.000 16.87278 ? 62  VAL   B CG1 1 
ATOM   996  C CG2 . VAL   B 1 20  ? 15.53514 -11.18010 2.69688   1.000 6.46506  ? 62  VAL   B CG2 1 
ATOM   997  N N   . LYS   B 1 21  ? 11.33931 -11.53312 4.93400   1.000 12.47039 ? 63  LYS   B N   1 
ATOM   998  C CA  . LYS   B 1 21  ? 10.44119 -11.29864 6.04366   1.000 12.41830 ? 63  LYS   B CA  1 
ATOM   999  C C   . LYS   B 1 21  ? 11.16387 -11.51756 7.36647   1.000 14.13556 ? 63  LYS   B C   1 
ATOM   1000 O O   . LYS   B 1 21  ? 12.25506 -12.08761 7.42539   1.000 20.32417 ? 63  LYS   B O   1 
ATOM   1001 C CB  . LYS   B 1 21  ? 9.22191  -12.21041 5.95556   1.000 10.22127 ? 63  LYS   B CB  1 
ATOM   1002 C CG  . LYS   B 1 21  ? 8.29685  -11.92804 4.78140   1.000 13.35001 ? 63  LYS   B CG  1 
ATOM   1003 C CD  . LYS   B 1 21  ? 7.00209  -12.74889 4.86873   1.000 13.99849 ? 63  LYS   B CD  1 
ATOM   1004 C CE  . LYS   B 1 21  ? 5.97172  -12.26580 3.85920   1.000 15.88021 ? 63  LYS   B CE  1 
ATOM   1005 N NZ  . LYS   B 1 21  ? 4.68114  -13.01803 3.93877   1.000 17.09684 ? 63  LYS   B NZ  1 
ATOM   1006 N N   . HIS   B 1 22  ? 10.54292 -11.03561 8.43695   1.000 12.55308 ? 64  HIS   B N   1 
ATOM   1007 C CA  . HIS   B 1 22  ? 10.99937 -11.28871 9.79503   1.000 16.84625 ? 64  HIS   B CA  1 
ATOM   1008 C C   . HIS   B 1 22  ? 9.77025  -11.56590 10.64910  1.000 17.65702 ? 64  HIS   B C   1 
ATOM   1009 O O   . HIS   B 1 22  ? 8.62996  -11.50744 10.16582  1.000 13.11161 ? 64  HIS   B O   1 
ATOM   1010 C CB  . HIS   B 1 22  ? 11.78855 -10.10093 10.33634  1.000 10.92666 ? 64  HIS   B CB  1 
ATOM   1011 C CG  . HIS   B 1 22  ? 11.10374 -8.80388  10.08612  1.000 16.84222 ? 64  HIS   B CG  1 
ATOM   1012 N ND1 . HIS   B 1 22  ? 10.21585 -8.24815  10.98588  1.000 13.79390 ? 64  HIS   B ND1 1 
ATOM   1013 C CD2 . HIS   B 1 22  ? 11.10410 -7.99447  8.99879   1.000 14.12763 ? 64  HIS   B CD2 1 
ATOM   1014 C CE1 . HIS   B 1 22  ? 9.74389  -7.12107  10.48353  1.000 17.48459 ? 64  HIS   B CE1 1 
ATOM   1015 N NE2 . HIS   B 1 22  ? 10.25730 -6.95047  9.27517   1.000 17.08687 ? 64  HIS   B NE2 1 
ATOM   1016 N N   . SER   B 1 23  ? 10.00132 -11.85323 11.93671  1.000 17.43640 ? 65  SER   B N   1 
ATOM   1017 C CA  . SER   B 1 23  ? 8.90235  -12.22086 12.82760  1.000 18.32846 ? 65  SER   B CA  1 
ATOM   1018 C C   . SER   B 1 23  ? 7.94262  -11.07107 13.10238  1.000 16.65107 ? 65  SER   B C   1 
ATOM   1019 O O   . SER   B 1 23  ? 6.93380  -11.28934 13.77404  1.000 15.24440 ? 65  SER   B O   1 
ATOM   1020 C CB  . SER   B 1 23  ? 9.43438  -12.75514 14.15159  1.000 9.50072  ? 65  SER   B CB  1 
ATOM   1021 O OG  . SER   B 1 23  ? 10.17356 -11.74933 14.80760  1.000 16.41533 ? 65  SER   B OG  1 
ATOM   1022 N N   . GLN   B 1 24  ? 8.20216  -9.86930  12.59918  1.000 16.11271 ? 66  GLN   B N   1 
ATOM   1023 C CA  . GLN   B 1 24  ? 7.26045  -8.77097  12.74481  1.000 17.76284 ? 66  GLN   B CA  1 
ATOM   1024 C C   . GLN   B 1 24  ? 6.56601  -8.40103  11.44029  1.000 15.02530 ? 66  GLN   B C   1 
ATOM   1025 O O   . GLN   B 1 24  ? 5.85417  -7.39465  11.40271  1.000 12.40122 ? 66  GLN   B O   1 
ATOM   1026 C CB  . GLN   B 1 24  ? 7.97334  -7.54341  13.32216  1.000 21.47382 ? 66  GLN   B CB  1 
ATOM   1027 C CG  . GLN   B 1 24  ? 7.22308  -6.90995  14.46020  1.000 24.46861 ? 66  GLN   B CG  1 
ATOM   1028 C CD  . GLN   B 1 24  ? 6.83257  -7.94018  15.49585  1.000 32.75576 ? 66  GLN   B CD  1 
ATOM   1029 O OE1 . GLN   B 1 24  ? 7.67894  -8.69503  15.99315  1.000 32.30778 ? 66  GLN   B OE1 1 
ATOM   1030 N NE2 . GLN   B 1 24  ? 5.54076  -7.99404  15.81670  1.000 30.64077 ? 66  GLN   B NE2 1 
ATOM   1031 N N   . SER   B 1 25  ? 6.78015  -9.16048  10.36772  1.000 13.14499 ? 67  SER   B N   1 
ATOM   1032 C CA  . SER   B 1 25  ? 5.98141  -9.00003  9.16501   1.000 14.16736 ? 67  SER   B CA  1 
ATOM   1033 C C   . SER   B 1 25  ? 4.51282  -9.23014  9.49201   1.000 15.04293 ? 67  SER   B C   1 
ATOM   1034 O O   . SER   B 1 25  ? 4.17890  -9.96366  10.42431  1.000 18.77776 ? 67  SER   B O   1 
ATOM   1035 C CB  . SER   B 1 25  ? 6.43532  -9.98701  8.08583   1.000 16.65065 ? 67  SER   B CB  1 
ATOM   1036 O OG  . SER   B 1 25  ? 7.74410  -9.68389  7.63728   1.000 16.26875 ? 67  SER   B OG  1 
ATOM   1037 N N   . ARG   B 1 26  ? 3.62385  -8.58820  8.72284   1.000 18.73609 ? 68  ARG   B N   1 
ATOM   1038 C CA  . ARG   B 1 26  ? 2.19505  -8.77537  8.96911   1.000 25.16232 ? 68  ARG   B CA  1 
ATOM   1039 C C   . ARG   B 1 26  ? 1.79943  -10.23852 8.83354   1.000 23.92589 ? 68  ARG   B C   1 
ATOM   1040 O O   . ARG   B 1 26  ? 0.93630  -10.72918 9.57164   1.000 25.59996 ? 68  ARG   B O   1 
ATOM   1041 C CB  . ARG   B 1 26  ? 1.35105  -7.92224  8.02715   1.000 23.27578 ? 68  ARG   B CB  1 
ATOM   1042 C CG  . ARG   B 1 26  ? -0.11699 -7.97144  8.41441   1.000 30.20811 ? 68  ARG   B CG  1 
ATOM   1043 C CD  . ARG   B 1 26  ? -0.87569 -6.74917  7.96770   1.000 33.75538 ? 68  ARG   B CD  1 
ATOM   1044 N NE  . ARG   B 1 26  ? -0.48042 -5.55594  8.70146   1.000 34.64661 ? 68  ARG   B NE  1 
ATOM   1045 C CZ  . ARG   B 1 26  ? -0.81727 -5.28628  9.95338   1.000 29.21246 ? 68  ARG   B CZ  1 
ATOM   1046 N NH1 . ARG   B 1 26  ? -1.59231 -6.10003  10.65493  1.000 27.21123 ? 68  ARG   B NH1 1 
ATOM   1047 N NH2 . ARG   B 1 26  ? -0.36195 -4.17152  10.51542  1.000 28.64668 ? 68  ARG   B NH2 1 
ATOM   1048 N N   . ARG   B 1 27  ? 2.42040  -10.95141 7.89706   1.000 21.97034 ? 69  ARG   B N   1 
ATOM   1049 C CA  . ARG   B 1 27  ? 2.19873  -12.38041 7.71177   1.000 23.57136 ? 69  ARG   B CA  1 
ATOM   1050 C C   . ARG   B 1 27  ? 3.56537  -13.05394 7.77456   1.000 20.12716 ? 69  ARG   B C   1 
ATOM   1051 O O   . ARG   B 1 27  ? 4.24698  -13.21050 6.74405   1.000 19.18349 ? 69  ARG   B O   1 
ATOM   1052 C CB  . ARG   B 1 27  ? 1.47982  -12.65465 6.39358   1.000 24.83717 ? 69  ARG   B CB  1 
ATOM   1053 C CG  . ARG   B 1 27  ? 0.76794  -13.98975 6.35329   1.000 28.72571 ? 69  ARG   B CG  1 
ATOM   1054 C CD  . ARG   B 1 27  ? 0.86684  -14.63636 4.98846   1.000 29.84471 ? 69  ARG   B CD  1 
ATOM   1055 N NE  . ARG   B 1 27  ? 0.19300  -15.92775 4.98081   1.000 45.83008 ? 69  ARG   B NE  1 
ATOM   1056 C CZ  . ARG   B 1 27  ? -0.01147 -16.66120 3.89547   1.000 57.17259 ? 69  ARG   B CZ  1 
ATOM   1057 N NH1 . ARG   B 1 27  ? 0.37361  -16.24409 2.69758   1.000 57.32123 ? 69  ARG   B NH1 1 
ATOM   1058 N NH2 . ARG   B 1 27  ? -0.60601 -17.84791 4.01624   1.000 40.13994 ? 69  ARG   B NH2 1 
ATOM   1059 N N   . PRO   B 1 28  ? 4.01683  -13.45857 8.97308   1.000 17.91049 ? 70  PRO   B N   1 
ATOM   1060 C CA  . PRO   B 1 28  ? 5.36432  -14.04032 9.15804   1.000 18.29093 ? 70  PRO   B CA  1 
ATOM   1061 C C   . PRO   B 1 28  ? 5.44602  -15.50043 8.71747   1.000 18.97962 ? 70  PRO   B C   1 
ATOM   1062 O O   . PRO   B 1 28  ? 5.77026  -16.40883 9.50151   1.000 23.47793 ? 70  PRO   B O   1 
ATOM   1063 C CB  . PRO   B 1 28  ? 5.58431  -13.86823 10.66681  1.000 13.47183 ? 70  PRO   B CB  1 
ATOM   1064 C CG  . PRO   B 1 28  ? 4.20817  -13.93928 11.23997  1.000 12.13210 ? 70  PRO   B CG  1 
ATOM   1065 C CD  . PRO   B 1 28  ? 3.32582  -13.24089 10.25859  1.000 17.85961 ? 70  PRO   B CD  1 
ATOM   1066 N N   . SER   B 1 29  ? 5.14296  -15.73276 7.44401   1.000 16.45118 ? 71  SER   B N   1 
ATOM   1067 C CA  . SER   B 1 29  ? 5.20594  -17.04674 6.82858   1.000 19.04523 ? 71  SER   B CA  1 
ATOM   1068 C C   . SER   B 1 29  ? 5.38404  -16.82535 5.33645   1.000 17.81482 ? 71  SER   B C   1 
ATOM   1069 O O   . SER   B 1 29  ? 5.03552  -15.76968 4.81316   1.000 16.23751 ? 71  SER   B O   1 
ATOM   1070 C CB  . SER   B 1 29  ? 3.95240  -17.88869 7.12972   1.000 17.81302 ? 71  SER   B CB  1 
ATOM   1071 O OG  . SER   B 1 29  ? 2.97002  -17.74892 6.11296   1.000 27.96794 ? 71  SER   B OG  1 
ATOM   1072 N N   . SER   B 1 30  ? 5.95965  -17.81859 4.66154   1.000 22.57815 ? 72  SER   B N   1 
ATOM   1073 C CA  . SER   B 1 30  ? 6.25338  -17.72294 3.23589   1.000 16.64623 ? 72  SER   B CA  1 
ATOM   1074 C C   . SER   B 1 30  ? 6.31992  -19.13565 2.66741   1.000 17.79626 ? 72  SER   B C   1 
ATOM   1075 O O   . SER   B 1 30  ? 6.18370  -20.12091 3.39475   1.000 23.77611 ? 72  SER   B O   1 
ATOM   1076 C CB  . SER   B 1 30  ? 7.55272  -16.96310 2.99053   1.000 11.65020 ? 72  SER   B CB  1 
ATOM   1077 O OG  . SER   B 1 30  ? 8.64702  -17.86084 2.88833   1.000 17.07455 ? 72  SER   B OG  1 
ATOM   1078 N N   . TRP   B 1 31  ? 6.53518  -19.23639 1.35465   1.000 15.33659 ? 73  TRP   B N   1 
ATOM   1079 C CA  . TRP   B 1 31  ? 6.64407  -20.56402 0.75694   1.000 18.19990 ? 73  TRP   B CA  1 
ATOM   1080 C C   . TRP   B 1 31  ? 7.78114  -21.36522 1.37176   1.000 14.54591 ? 73  TRP   B C   1 
ATOM   1081 O O   . TRP   B 1 31  ? 7.69841  -22.59333 1.43909   1.000 24.12671 ? 73  TRP   B O   1 
ATOM   1082 C CB  . TRP   B 1 31  ? 6.83454  -20.48014 -0.76439  1.000 14.59616 ? 73  TRP   B CB  1 
ATOM   1083 C CG  . TRP   B 1 31  ? 8.04843  -19.68170 -1.21865  1.000 16.29488 ? 73  TRP   B CG  1 
ATOM   1084 C CD1 . TRP   B 1 31  ? 8.13194  -18.32238 -1.33739  1.000 16.41860 ? 73  TRP   B CD1 1 
ATOM   1085 C CD2 . TRP   B 1 31  ? 9.32883  -20.19729 -1.63266  1.000 15.17738 ? 73  TRP   B CD2 1 
ATOM   1086 N NE1 . TRP   B 1 31  ? 9.38119  -17.96123 -1.78467  1.000 17.03922 ? 73  TRP   B NE1 1 
ATOM   1087 C CE2 . TRP   B 1 31  ? 10.13490 -19.08916 -1.97568  1.000 14.14935 ? 73  TRP   B CE2 1 
ATOM   1088 C CE3 . TRP   B 1 31  ? 9.87389  -21.48391 -1.73624  1.000 15.08978 ? 73  TRP   B CE3 1 
ATOM   1089 C CZ2 . TRP   B 1 31  ? 11.45393 -19.22762 -2.42250  1.000 12.72593 ? 73  TRP   B CZ2 1 
ATOM   1090 C CZ3 . TRP   B 1 31  ? 11.18327 -21.61859 -2.18313  1.000 11.80847 ? 73  TRP   B CZ3 1 
ATOM   1091 C CH2 . TRP   B 1 31  ? 11.95655 -20.49596 -2.52085  1.000 13.10745 ? 73  TRP   B CH2 1 
ATOM   1092 N N   . ARG   B 1 32  ? 8.84133  -20.70814 1.83317   1.000 17.79814 ? 74  ARG   B N   1 
ATOM   1093 C CA  . ARG   B 1 32  ? 9.96628  -21.47363 2.35044   1.000 21.51802 ? 74  ARG   B CA  1 
ATOM   1094 C C   . ARG   B 1 32  ? 9.91041  -21.71453 3.85584   1.000 16.54927 ? 74  ARG   B C   1 
ATOM   1095 O O   . ARG   B 1 32  ? 10.69763 -22.52086 4.35993   1.000 18.34259 ? 74  ARG   B O   1 
ATOM   1096 C CB  . ARG   B 1 32  ? 11.31400 -20.82601 1.95479   1.000 24.46153 ? 74  ARG   B CB  1 
ATOM   1097 C CG  . ARG   B 1 32  ? 11.43914 -19.32124 2.01583   1.000 19.22031 ? 74  ARG   B CG  1 
ATOM   1098 C CD  . ARG   B 1 32  ? 12.58812 -18.82238 1.12222   1.000 13.71082 ? 74  ARG   B CD  1 
ATOM   1099 N NE  . ARG   B 1 32  ? 13.85223 -19.53787 1.31635   1.000 23.10790 ? 74  ARG   B NE  1 
ATOM   1100 C CZ  . ARG   B 1 32  ? 14.94860 -19.02849 1.87578   1.000 20.43837 ? 74  ARG   B CZ  1 
ATOM   1101 N NH1 . ARG   B 1 32  ? 14.97234 -17.80090 2.36984   1.000 20.98860 ? 74  ARG   B NH1 1 
ATOM   1102 N NH2 . ARG   B 1 32  ? 16.05082 -19.76992 1.94148   1.000 13.08794 ? 74  ARG   B NH2 1 
ATOM   1103 N N   . GLN   B 1 33  ? 8.96159  -21.12663 4.57485   1.000 13.75151 ? 75  GLN   B N   1 
ATOM   1104 C CA  . GLN   B 1 33  ? 8.93567  -21.30942 6.02361   1.000 14.29428 ? 75  GLN   B CA  1 
ATOM   1105 C C   . GLN   B 1 33  ? 7.53573  -20.99480 6.52980   1.000 18.95544 ? 75  GLN   B C   1 
ATOM   1106 O O   . GLN   B 1 33  ? 7.04591  -19.87610 6.32470   1.000 19.73820 ? 75  GLN   B O   1 
ATOM   1107 C CB  . GLN   B 1 33  ? 9.96502  -20.38310 6.66647   1.000 20.00171 ? 75  GLN   B CB  1 
ATOM   1108 C CG  . GLN   B 1 33  ? 10.98654 -21.01329 7.56922   1.000 16.96662 ? 75  GLN   B CG  1 
ATOM   1109 C CD  . GLN   B 1 33  ? 12.17531 -20.09208 7.81577   1.000 12.47995 ? 75  GLN   B CD  1 
ATOM   1110 O OE1 . GLN   B 1 33  ? 12.06397 -18.87729 7.70789   1.000 10.49497 ? 75  GLN   B OE1 1 
ATOM   1111 N NE2 . GLN   B 1 33  ? 13.30030 -20.67016 8.19903   1.000 14.46265 ? 75  GLN   B NE2 1 
ATOM   1112 N N   . GLU   B 1 34  ? 6.87651  -21.96095 7.17701   1.000 19.98816 ? 76  GLU   B N   1 
ATOM   1113 C CA  . GLU   B 1 34  ? 5.51092  -21.68372 7.62047   1.000 25.38506 ? 76  GLU   B CA  1 
ATOM   1114 C C   . GLU   B 1 34  ? 5.47564  -20.81178 8.87353   1.000 25.76218 ? 76  GLU   B C   1 
ATOM   1115 O O   . GLU   B 1 34  ? 4.41131  -20.28155 9.21566   1.000 25.06030 ? 76  GLU   B O   1 
ATOM   1116 C CB  . GLU   B 1 34  ? 4.71854  -22.99045 7.82336   1.000 21.66029 ? 76  GLU   B CB  1 
ATOM   1117 C CG  . GLU   B 1 34  ? 5.13115  -23.85748 9.01966   1.000 33.20633 ? 76  GLU   B CG  1 
ATOM   1118 C CD  . GLU   B 1 34  ? 4.97123  -25.38004 8.77177   1.000 41.71525 ? 76  GLU   B CD  1 
ATOM   1119 O OE1 . GLU   B 1 34  ? 5.38961  -25.86509 7.69483   1.000 35.39473 ? 76  GLU   B OE1 1 
ATOM   1120 O OE2 . GLU   B 1 34  ? 4.45323  -26.09859 9.66355   1.000 36.87758 ? 76  GLU   B OE2 1 
ATOM   1121 N N   . GLN   B 1 35  ? 6.61389  -20.61807 9.53672   1.000 17.57862 ? 77  GLN   B N   1 
ATOM   1122 C CA  . GLN   B 1 35  ? 6.75061  -19.62404 10.59761  1.000 22.15719 ? 77  GLN   B CA  1 
ATOM   1123 C C   . GLN   B 1 35  ? 8.07190  -18.90844 10.36101  1.000 17.91891 ? 77  GLN   B C   1 
ATOM   1124 O O   . GLN   B 1 35  ? 9.13828  -19.52038 10.47919  1.000 17.47653 ? 77  GLN   B O   1 
ATOM   1125 C CB  . GLN   B 1 35  ? 6.71232  -20.26797 11.98869  1.000 27.23202 ? 77  GLN   B CB  1 
ATOM   1126 C CG  . GLN   B 1 35  ? 5.56686  -19.79284 12.92188  1.000 26.40410 ? 77  GLN   B CG  1 
ATOM   1127 C CD  . GLN   B 1 35  ? 5.61547  -18.28462 13.22128  1.000 40.06676 ? 77  GLN   B CD  1 
ATOM   1128 O OE1 . GLN   B 1 35  ? 6.68402  -17.66329 13.18076  1.000 41.99552 ? 77  GLN   B OE1 1 
ATOM   1129 N NE2 . GLN   B 1 35  ? 4.45994  -17.70063 13.54734  1.000 32.35367 ? 77  GLN   B NE2 1 
ATOM   1130 N N   . ILE   B 1 36  ? 8.02063  -17.63505 9.98441   1.000 19.66795 ? 78  ILE   B N   1 
ATOM   1131 C CA  . ILE   B 1 36  ? 9.25701  -16.86678 9.89149   1.000 16.36589 ? 78  ILE   B CA  1 
ATOM   1132 C C   . ILE   B 1 36  ? 9.66969  -16.47221 11.29926  1.000 16.88695 ? 78  ILE   B C   1 
ATOM   1133 O O   . ILE   B 1 36  ? 8.85113  -15.99793 12.09574  1.000 17.88535 ? 78  ILE   B O   1 
ATOM   1134 C CB  . ILE   B 1 36  ? 9.10696  -15.63820 8.98230   1.000 13.49172 ? 78  ILE   B CB  1 
ATOM   1135 C CG1 . ILE   B 1 36  ? 8.58450  -16.04494 7.59959   1.000 17.48930 ? 78  ILE   B CG1 1 
ATOM   1136 C CG2 . ILE   B 1 36  ? 10.46210 -14.91693 8.84291   1.000 11.65914 ? 78  ILE   B CG2 1 
ATOM   1137 C CD1 . ILE   B 1 36  ? 9.55514  -16.81260 6.78348   1.000 11.37171 ? 78  ILE   B CD1 1 
ATOM   1138 N N   . THR   B 1 37  ? 10.93409 -16.68242 11.61138  1.000 14.52741 ? 79  THR   B N   1 
ATOM   1139 C CA  . THR   B 1 37  ? 11.41256 -16.54364 12.96783  1.000 12.94983 ? 79  THR   B CA  1 
ATOM   1140 C C   . THR   B 1 37  ? 12.50757 -15.49916 13.13133  1.000 12.11777 ? 79  THR   B C   1 
ATOM   1141 O O   . THR   B 1 37  ? 12.60605 -14.90147 14.20385  1.000 15.57962 ? 79  THR   B O   1 
ATOM   1142 C CB  . THR   B 1 37  ? 11.88553 -17.92137 13.45501  1.000 10.11264 ? 79  THR   B CB  1 
ATOM   1143 O OG1 . THR   B 1 37  ? 10.94534 -18.40800 14.41644  1.000 13.35706 ? 79  THR   B OG1 1 
ATOM   1144 C CG2 . THR   B 1 37  ? 13.26315 -17.87652 14.02948  1.000 5.55294  ? 79  THR   B CG2 1 
ATOM   1145 N N   . ARG   B 1 38  ? 13.30590 -15.24093 12.09648  1.000 9.16169  ? 80  ARG   B N   1 
ATOM   1146 C CA  . ARG   B 1 38  ? 14.39826 -14.28044 12.19957  1.000 12.96276 ? 80  ARG   B CA  1 
ATOM   1147 C C   . ARG   B 1 38  ? 13.89512 -12.91006 12.65278  1.000 13.17377 ? 80  ARG   B C   1 
ATOM   1148 O O   . ARG   B 1 38  ? 12.77773 -12.49871 12.33171  1.000 12.20832 ? 80  ARG   B O   1 
ATOM   1149 C CB  . ARG   B 1 38  ? 15.11540 -14.17220 10.84692  1.000 14.81558 ? 80  ARG   B CB  1 
ATOM   1150 C CG  . ARG   B 1 38  ? 14.27988 -13.51611 9.73394   1.000 11.48470 ? 80  ARG   B CG  1 
ATOM   1151 C CD  . ARG   B 1 38  ? 15.08893 -13.29417 8.49088   1.000 9.19878  ? 80  ARG   B CD  1 
ATOM   1152 N NE  . ARG   B 1 38  ? 15.27785 -14.53646 7.75705   1.000 15.50386 ? 80  ARG   B NE  1 
ATOM   1153 C CZ  . ARG   B 1 38  ? 14.39604 -15.06157 6.91321   1.000 17.38366 ? 80  ARG   B CZ  1 
ATOM   1154 N NH1 . ARG   B 1 38  ? 13.24379 -14.45565 6.64223   1.000 11.66161 ? 80  ARG   B NH1 1 
ATOM   1155 N NH2 . ARG   B 1 38  ? 14.67935 -16.22170 6.32126   1.000 15.65598 ? 80  ARG   B NH2 1 
ATOM   1156 N N   . THR   B 1 39  ? 14.71931 -12.20759 13.42632  1.000 18.69733 ? 81  THR   B N   1 
ATOM   1157 C CA  . THR   B 1 39  ? 14.36493 -10.84918 13.81222  1.000 15.55221 ? 81  THR   B CA  1 
ATOM   1158 C C   . THR   B 1 39  ? 14.55476 -9.89471  12.63588  1.000 16.40323 ? 81  THR   B C   1 
ATOM   1159 O O   . THR   B 1 39  ? 15.13500 -10.24403 11.60206  1.000 16.99156 ? 81  THR   B O   1 
ATOM   1160 C CB  . THR   B 1 39  ? 15.19213 -10.37692 15.00401  1.000 11.85102 ? 81  THR   B CB  1 
ATOM   1161 O OG1 . THR   B 1 39  ? 16.55188 -10.19178 14.59155  1.000 19.26885 ? 81  THR   B OG1 1 
ATOM   1162 C CG2 . THR   B 1 39  ? 15.13276 -11.37596 16.11458  1.000 11.64136 ? 81  THR   B CG2 1 
ATOM   1163 N N   . GLN   B 1 40  ? 14.03725 -8.67150  12.80511  1.000 13.75106 ? 82  GLN   B N   1 
ATOM   1164 C CA  . GLN   B 1 40  ? 14.13191 -7.67249  11.74946  1.000 12.27744 ? 82  GLN   B CA  1 
ATOM   1165 C C   . GLN   B 1 40  ? 15.58327 -7.35467  11.43535  1.000 15.71553 ? 82  GLN   B C   1 
ATOM   1166 O O   . GLN   B 1 40  ? 15.95621 -7.17523  10.26904  1.000 16.64915 ? 82  GLN   B O   1 
ATOM   1167 C CB  . GLN   B 1 40  ? 13.37327 -6.41355  12.15885  1.000 17.06175 ? 82  GLN   B CB  1 
ATOM   1168 C CG  . GLN   B 1 40  ? 13.09129 -5.44198  11.02320  1.000 15.18069 ? 82  GLN   B CG  1 
ATOM   1169 C CD  . GLN   B 1 40  ? 13.60657 -4.04514  11.32859  1.000 15.59236 ? 82  GLN   B CD  1 
ATOM   1170 O OE1 . GLN   B 1 40  ? 14.66505 -3.87730  11.93318  1.000 15.19567 ? 82  GLN   B OE1 1 
ATOM   1171 N NE2 . GLN   B 1 40  ? 12.85913 -3.04027  10.91609  1.000 15.08025 ? 82  GLN   B NE2 1 
ATOM   1172 N N   . GLU   B 1 41  ? 16.42420 -7.31718  12.46294  1.000 15.79544 ? 83  GLU   B N   1 
ATOM   1173 C CA  . GLU   B 1 41  ? 17.84129 -7.08653  12.23410  1.000 19.74046 ? 83  GLU   B CA  1 
ATOM   1174 C C   . GLU   B 1 41  ? 18.45650 -8.20641  11.40576  1.000 19.04857 ? 83  GLU   B C   1 
ATOM   1175 O O   . GLU   B 1 41  ? 19.23857 -7.94481  10.48338  1.000 24.01040 ? 83  GLU   B O   1 
ATOM   1176 C CB  . GLU   B 1 41  ? 18.57665 -6.93676  13.56997  1.000 21.51591 ? 83  GLU   B CB  1 
ATOM   1177 C CG  . GLU   B 1 41  ? 20.09099 -6.75175  13.44239  1.000 19.42797 ? 83  GLU   B CG  1 
ATOM   1178 C CD  . GLU   B 1 41  ? 20.44041 -5.55884  12.56907  1.000 23.71056 ? 83  GLU   B CD  1 
ATOM   1179 O OE1 . GLU   B 1 41  ? 19.61278 -4.61833  12.49544  1.000 19.57126 ? 83  GLU   B OE1 1 
ATOM   1180 O OE2 . GLU   B 1 41  ? 21.53189 -5.56718  11.95273  1.000 23.91562 ? 83  GLU   B OE2 1 
ATOM   1181 N N   . GLU   B 1 42  ? 18.13176 -9.46282  11.72343  1.000 18.00141 ? 84  GLU   B N   1 
ATOM   1182 C CA  . GLU   B 1 42  ? 18.67731 -10.57229 10.93900  1.000 24.42473 ? 84  GLU   B CA  1 
ATOM   1183 C C   . GLU   B 1 42  ? 18.20671 -10.51579 9.48417   1.000 18.81774 ? 84  GLU   B C   1 
ATOM   1184 O O   . GLU   B 1 42  ? 19.00526 -10.71292 8.55825   1.000 15.63197 ? 84  GLU   B O   1 
ATOM   1185 C CB  . GLU   B 1 42  ? 18.31061 -11.90478 11.58861  1.000 15.71938 ? 84  GLU   B CB  1 
ATOM   1186 C CG  . GLU   B 1 42  ? 18.94727 -12.07743 12.92640  1.000 6.76283  ? 84  GLU   B CG  1 
ATOM   1187 C CD  . GLU   B 1 42  ? 18.39951 -13.25247 13.69400  1.000 18.42110 ? 84  GLU   B CD  1 
ATOM   1188 O OE1 . GLU   B 1 42  ? 17.21521 -13.61127 13.50361  1.000 16.82097 ? 84  GLU   B OE1 1 
ATOM   1189 O OE2 . GLU   B 1 42  ? 19.15055 -13.79814 14.52501  1.000 32.36300 ? 84  GLU   B OE2 1 
ATOM   1190 N N   . ALA   B 1 43  ? 16.92053 -10.22115 9.26743   1.000 16.12075 ? 85  ALA   B N   1 
ATOM   1191 C CA  . ALA   B 1 43  ? 16.42174 -9.94098  7.92278   1.000 15.62293 ? 85  ALA   B CA  1 
ATOM   1192 C C   . ALA   B 1 43  ? 17.28779 -8.90230  7.21017   1.000 21.22178 ? 85  ALA   B C   1 
ATOM   1193 O O   . ALA   B 1 43  ? 17.70726 -9.10371  6.06202   1.000 21.59002 ? 85  ALA   B O   1 
ATOM   1194 C CB  . ALA   B 1 43  ? 14.96518 -9.47414  7.99622   1.000 9.51982  ? 85  ALA   B CB  1 
ATOM   1195 N N   . LEU   B 1 44  ? 17.56002 -7.77589  7.87949   1.000 16.26159 ? 86  LEU   B N   1 
ATOM   1196 C CA  . LEU   B 1 44  ? 18.38979 -6.73823  7.27985   1.000 16.78978 ? 86  LEU   B CA  1 
ATOM   1197 C C   . LEU   B 1 44  ? 19.80553 -7.23279  7.03095   1.000 17.16043 ? 86  LEU   B C   1 
ATOM   1198 O O   . LEU   B 1 44  ? 20.45270 -6.81372  6.06053   1.000 16.79361 ? 86  LEU   B O   1 
ATOM   1199 C CB  . LEU   B 1 44  ? 18.40950 -5.50159  8.17815   1.000 21.31094 ? 86  LEU   B CB  1 
ATOM   1200 C CG  . LEU   B 1 44  ? 19.26768 -4.32936  7.70630   1.000 21.93676 ? 86  LEU   B CG  1 
ATOM   1201 C CD1 . LEU   B 1 44  ? 18.67502 -3.72875  6.43634   1.000 21.45995 ? 86  LEU   B CD1 1 
ATOM   1202 C CD2 . LEU   B 1 44  ? 19.39617 -3.28388  8.80896   1.000 14.98628 ? 86  LEU   B CD2 1 
ATOM   1203 N N   . GLU   B 1 45  ? 20.31130 -8.11027  7.89877   1.000 23.18707 ? 87  GLU   B N   1 
ATOM   1204 C CA  . GLU   B 1 45  ? 21.61862 -8.70411  7.64790   1.000 23.49810 ? 87  GLU   B CA  1 
ATOM   1205 C C   . GLU   B 1 45  ? 21.61605 -9.43776  6.31499   1.000 15.69055 ? 87  GLU   B C   1 
ATOM   1206 O O   . GLU   B 1 45  ? 22.45784 -9.18252  5.45005   1.000 12.85055 ? 87  GLU   B O   1 
ATOM   1207 C CB  . GLU   B 1 45  ? 22.00830 -9.64722  8.78994   1.000 16.26206 ? 87  GLU   B CB  1 
ATOM   1208 C CG  . GLU   B 1 45  ? 22.88885 -9.02064  9.84638   1.000 24.78099 ? 87  GLU   B CG  1 
ATOM   1209 C CD  . GLU   B 1 45  ? 22.84403 -9.76756  11.18809  1.000 43.93732 ? 87  GLU   B CD  1 
ATOM   1210 O OE1 . GLU   B 1 45  ? 23.23121 -10.95497 11.23186  1.000 45.69064 ? 87  GLU   B OE1 1 
ATOM   1211 O OE2 . GLU   B 1 45  ? 22.42649 -9.16766  12.20523  1.000 48.42896 ? 87  GLU   B OE2 1 
ATOM   1212 N N   . LEU   B 1 46  ? 20.64928 -10.33815 6.12303   1.000 16.86096 ? 88  LEU   B N   1 
ATOM   1213 C CA  . LEU   B 1 46  ? 20.61709 -11.13504 4.90379   1.000 17.39875 ? 88  LEU   B CA  1 
ATOM   1214 C C   . LEU   B 1 46  ? 20.39366 -10.25852 3.67251   1.000 16.48421 ? 88  LEU   B C   1 
ATOM   1215 O O   . LEU   B 1 46  ? 20.99552 -10.49757 2.61563   1.000 14.42728 ? 88  LEU   B O   1 
ATOM   1216 C CB  . LEU   B 1 46  ? 19.53494 -12.20325 5.01697   1.000 19.39813 ? 88  LEU   B CB  1 
ATOM   1217 C CG  . LEU   B 1 46  ? 19.84294 -13.36597 5.94430   1.000 10.68406 ? 88  LEU   B CG  1 
ATOM   1218 C CD1 . LEU   B 1 46  ? 18.53849 -13.92386 6.49831   1.000 11.85692 ? 88  LEU   B CD1 1 
ATOM   1219 C CD2 . LEU   B 1 46  ? 20.59105 -14.42409 5.17652   1.000 7.03219  ? 88  LEU   B CD2 1 
ATOM   1220 N N   . ILE   B 1 47  ? 19.54303 -9.23083  3.79618   1.000 12.14655 ? 89  ILE   B N   1 
ATOM   1221 C CA  . ILE   B 1 47  ? 19.31317 -8.31168  2.68312   1.000 16.04769 ? 89  ILE   B CA  1 
ATOM   1222 C C   . ILE   B 1 47  ? 20.60472 -7.61006  2.29557   1.000 18.68786 ? 89  ILE   B C   1 
ATOM   1223 O O   . ILE   B 1 47  ? 20.91713 -7.46344  1.10412   1.000 18.26723 ? 89  ILE   B O   1 
ATOM   1224 C CB  . ILE   B 1 47  ? 18.21251 -7.29572  3.03537   1.000 19.21846 ? 89  ILE   B CB  1 
ATOM   1225 C CG1 . ILE   B 1 47  ? 16.83542 -7.90496  2.77613   1.000 16.02982 ? 89  ILE   B CG1 1 
ATOM   1226 C CG2 . ILE   B 1 47  ? 18.41270 -5.97978  2.27179   1.000 11.16259 ? 89  ILE   B CG2 1 
ATOM   1227 C CD1 . ILE   B 1 47  ? 16.36736 -7.76927  1.36836   1.000 11.75716 ? 89  ILE   B CD1 1 
ATOM   1228 N N   . ASN   B 1 48  ? 21.37599 -7.15858  3.29051   1.000 16.22461 ? 90  ASN   B N   1 
ATOM   1229 C CA  . ASN   B 1 48  ? 22.67895 -6.59052  2.97150   1.000 13.44643 ? 90  ASN   B CA  1 
ATOM   1230 C C   . ASN   B 1 48  ? 23.62108 -7.65160  2.44057   1.000 13.08262 ? 90  ASN   B C   1 
ATOM   1231 O O   . ASN   B 1 48  ? 24.47001 -7.35672  1.59419   1.000 19.86406 ? 90  ASN   B O   1 
ATOM   1232 C CB  . ASN   B 1 48  ? 23.27560 -5.89847  4.18454   1.000 12.88627 ? 90  ASN   B CB  1 
ATOM   1233 C CG  . ASN   B 1 48  ? 22.64631 -4.55127  4.43811   1.000 26.18851 ? 90  ASN   B CG  1 
ATOM   1234 O OD1 . ASN   B 1 48  ? 22.29733 -3.83312  3.49405   1.000 27.56073 ? 90  ASN   B OD1 1 
ATOM   1235 N ND2 . ASN   B 1 48  ? 22.47749 -4.19876  5.71657   1.000 24.22941 ? 90  ASN   B ND2 1 
ATOM   1236 N N   . GLY   B 1 49  ? 23.47697 -8.89008  2.90024   1.000 11.94311 ? 91  GLY   B N   1 
ATOM   1237 C CA  . GLY   B 1 49  ? 24.24778 -9.96153  2.30529   1.000 10.27095 ? 91  GLY   B CA  1 
ATOM   1238 C C   . GLY   B 1 49  ? 23.97314 -10.07984 0.82395   1.000 16.33418 ? 91  GLY   B C   1 
ATOM   1239 O O   . GLY   B 1 49  ? 24.89371 -10.06427 0.00365   1.000 15.61401 ? 91  GLY   B O   1 
ATOM   1240 N N   . TYR   B 1 50  ? 22.68977 -10.15816 0.46106   1.000 16.48053 ? 92  TYR   B N   1 
ATOM   1241 C CA  . TYR   B 1 50  ? 22.31907 -10.33032 -0.93868  1.000 18.15864 ? 92  TYR   B CA  1 
ATOM   1242 C C   . TYR   B 1 50  ? 22.70963 -9.12387  -1.78143  1.000 22.70752 ? 92  TYR   B C   1 
ATOM   1243 O O   . TYR   B 1 50  ? 23.02549 -9.28380  -2.97045  1.000 18.49607 ? 92  TYR   B O   1 
ATOM   1244 C CB  . TYR   B 1 50  ? 20.81669 -10.59233 -1.06928  1.000 18.03621 ? 92  TYR   B CB  1 
ATOM   1245 C CG  . TYR   B 1 50  ? 20.33706 -11.85615 -0.38515  1.000 18.84191 ? 92  TYR   B CG  1 
ATOM   1246 C CD1 . TYR   B 1 50  ? 21.07331 -13.03898 -0.46985  1.000 10.70778 ? 92  TYR   B CD1 1 
ATOM   1247 C CD2 . TYR   B 1 50  ? 19.13426 -11.87181 0.32971   1.000 11.55139 ? 92  TYR   B CD2 1 
ATOM   1248 C CE1 . TYR   B 1 50  ? 20.63397 -14.20076 0.14620   1.000 10.88622 ? 92  TYR   B CE1 1 
ATOM   1249 C CE2 . TYR   B 1 50  ? 18.68892 -13.02717 0.94732   1.000 13.46927 ? 92  TYR   B CE2 1 
ATOM   1250 C CZ  . TYR   B 1 50  ? 19.44028 -14.19288 0.84631   1.000 16.00963 ? 92  TYR   B CZ  1 
ATOM   1251 O OH  . TYR   B 1 50  ? 19.00265 -15.34680 1.46318   1.000 15.22122 ? 92  TYR   B OH  1 
ATOM   1252 N N   . ILE   B 1 51  ? 22.69578 -7.91708  -1.19814  1.000 17.13483 ? 93  ILE   B N   1 
ATOM   1253 C CA  . ILE   B 1 51  ? 23.03745 -6.73493  -1.98393  1.000 19.42370 ? 93  ILE   B CA  1 
ATOM   1254 C C   . ILE   B 1 51  ? 24.49422 -6.80003  -2.42978  1.000 31.47607 ? 93  ILE   B C   1 
ATOM   1255 O O   . ILE   B 1 51  ? 24.81291 -6.57063  -3.60457  1.000 26.07354 ? 93  ILE   B O   1 
ATOM   1256 C CB  . ILE   B 1 51  ? 22.73775 -5.44563  -1.20440  1.000 13.49597 ? 93  ILE   B CB  1 
ATOM   1257 C CG1 . ILE   B 1 51  ? 21.22969 -5.19397  -1.17213  1.000 16.23365 ? 93  ILE   B CG1 1 
ATOM   1258 C CG2 . ILE   B 1 51  ? 23.45031 -4.27834  -1.86007  1.000 11.99165 ? 93  ILE   B CG2 1 
ATOM   1259 C CD1 . ILE   B 1 51  ? 20.76011 -4.20357  -0.13237  1.000 9.55153  ? 93  ILE   B CD1 1 
ATOM   1260 N N   . GLN   B 1 52  ? 25.39713 -7.14554  -1.50593  1.000 30.32452 ? 94  GLN   B N   1 
ATOM   1261 C CA  . GLN   B 1 52  ? 26.80740 -7.24253  -1.86408  1.000 28.31504 ? 94  GLN   B CA  1 
ATOM   1262 C C   . GLN   B 1 52  ? 27.04393 -8.33798  -2.89714  1.000 30.72605 ? 94  GLN   B C   1 
ATOM   1263 O O   . GLN   B 1 52  ? 27.87951 -8.17762  -3.79898  1.000 25.11549 ? 94  GLN   B O   1 
ATOM   1264 C CB  . GLN   B 1 52  ? 27.65615 -7.48539  -0.61635  1.000 23.56767 ? 94  GLN   B CB  1 
ATOM   1265 C CG  . GLN   B 1 52  ? 28.43110 -6.26012  -0.15505  1.000 36.48364 ? 94  GLN   B CG  1 
ATOM   1266 C CD  . GLN   B 1 52  ? 27.56894 -5.00521  -0.10182  1.000 50.61151 ? 94  GLN   B CD  1 
ATOM   1267 O OE1 . GLN   B 1 52  ? 26.81816 -4.79070  0.85629   1.000 62.20039 ? 94  GLN   B OE1 1 
ATOM   1268 N NE2 . GLN   B 1 52  ? 27.67834 -4.16433  -1.12975  1.000 47.03932 ? 94  GLN   B NE2 1 
ATOM   1269 N N   . LYS   B 1 53  ? 26.32360 -9.46147  -2.78100  1.000 23.27029 ? 95  LYS   B N   1 
ATOM   1270 C CA  . LYS   B 1 53  ? 26.50428 -10.53968 -3.74550  1.000 24.63839 ? 95  LYS   B CA  1 
ATOM   1271 C C   . LYS   B 1 53  ? 26.11755 -10.08404 -5.14303  1.000 32.36560 ? 95  LYS   B C   1 
ATOM   1272 O O   . LYS   B 1 53  ? 26.76486 -10.46953 -6.12499  1.000 37.08649 ? 95  LYS   B O   1 
ATOM   1273 C CB  . LYS   B 1 53  ? 25.69467 -11.76997 -3.33314  1.000 23.85744 ? 95  LYS   B CB  1 
ATOM   1274 C CG  . LYS   B 1 53  ? 26.25751 -12.49593 -2.12305  1.000 33.92266 ? 95  LYS   B CG  1 
ATOM   1275 C CD  . LYS   B 1 53  ? 27.10827 -13.68539 -2.55139  1.000 56.22717 ? 95  LYS   B CD  1 
ATOM   1276 C CE  . LYS   B 1 53  ? 28.50908 -13.66655 -1.92527  1.000 48.98281 ? 95  LYS   B CE  1 
ATOM   1277 N NZ  . LYS   B 1 53  ? 29.47912 -14.46966 -2.73844  1.000 38.02826 ? 95  LYS   B NZ  1 
ATOM   1278 N N   . ILE   B 1 54  ? 25.09035 -9.23913  -5.24887  1.000 26.80939 ? 96  ILE   B N   1 
ATOM   1279 C CA  . ILE   B 1 54  ? 24.65418 -8.74657  -6.55082  1.000 29.45486 ? 96  ILE   B CA  1 
ATOM   1280 C C   . ILE   B 1 54  ? 25.59787 -7.66561  -7.05079  1.000 29.95155 ? 96  ILE   B C   1 
ATOM   1281 O O   . ILE   B 1 54  ? 26.09049 -7.73345  -8.18198  1.000 29.10567 ? 96  ILE   B O   1 
ATOM   1282 C CB  . ILE   B 1 54  ? 23.20059 -8.23236  -6.47336  1.000 27.23198 ? 96  ILE   B CB  1 
ATOM   1283 C CG1 . ILE   B 1 54  ? 22.21695 -9.37649  -6.26174  1.000 22.56658 ? 96  ILE   B CG1 1 
ATOM   1284 C CG2 . ILE   B 1 54  ? 22.81658 -7.45833  -7.72048  1.000 25.27378 ? 96  ILE   B CG2 1 
ATOM   1285 C CD1 . ILE   B 1 54  ? 20.93598 -8.91031  -5.63930  1.000 19.95236 ? 96  ILE   B CD1 1 
ATOM   1286 N N   . LYS   B 1 55  ? 25.85415 -6.65616  -6.20498  1.000 33.70897 ? 97  LYS   B N   1 
ATOM   1287 C CA  . LYS   B 1 55  ? 26.70003 -5.52001  -6.57086  1.000 34.04878 ? 97  LYS   B CA  1 
ATOM   1288 C C   . LYS   B 1 55  ? 28.09716 -5.95591  -7.00862  1.000 34.70119 ? 97  LYS   B C   1 
ATOM   1289 O O   . LYS   B 1 55  ? 28.71388 -5.30215  -7.85688  1.000 37.30252 ? 97  LYS   B O   1 
ATOM   1290 C CB  . LYS   B 1 55  ? 26.79718 -4.54606  -5.39379  1.000 26.28987 ? 97  LYS   B CB  1 
ATOM   1291 C CG  . LYS   B 1 55  ? 25.67381 -3.53256  -5.32022  1.000 28.76455 ? 97  LYS   B CG  1 
ATOM   1292 C CD  . LYS   B 1 55  ? 26.01703 -2.25942  -6.09485  1.000 54.29319 ? 97  LYS   B CD  1 
ATOM   1293 C CE  . LYS   B 1 55  ? 24.78914 -1.61811  -6.76024  1.000 48.67126 ? 97  LYS   B CE  1 
ATOM   1294 N NZ  . LYS   B 1 55  ? 25.07544 -1.16047  -8.15524  1.000 49.63655 ? 97  LYS   B NZ  1 
ATOM   1295 N N   . SER   B 1 56  ? 28.61090 -7.04432  -6.44496  1.000 39.42204 ? 98  SER   B N   1 
ATOM   1296 C CA  . SER   B 1 56  ? 29.89429 -7.60880  -6.83843  1.000 33.92036 ? 98  SER   B CA  1 
ATOM   1297 C C   . SER   B 1 56  ? 29.77302 -8.66666  -7.93363  1.000 37.26134 ? 98  SER   B C   1 
ATOM   1298 O O   . SER   B 1 56  ? 30.78815 -9.25765  -8.32289  1.000 31.97073 ? 98  SER   B O   1 
ATOM   1299 C CB  . SER   B 1 56  ? 30.58571 -8.20996  -5.61932  1.000 29.75455 ? 98  SER   B CB  1 
ATOM   1300 O OG  . SER   B 1 56  ? 29.97301 -9.43127  -5.27302  1.000 33.00888 ? 98  SER   B OG  1 
ATOM   1301 N N   . GLY   B 1 57  ? 28.56294 -8.93168  -8.42552  1.000 36.79363 ? 99  GLY   B N   1 
ATOM   1302 C CA  . GLY   B 1 57  ? 28.37044 -9.82325  -9.54956  1.000 35.32131 ? 99  GLY   B CA  1 
ATOM   1303 C C   . GLY   B 1 57  ? 28.47060 -11.30029 -9.24789  1.000 30.78453 ? 99  GLY   B C   1 
ATOM   1304 O O   . GLY   B 1 57  ? 28.25309 -12.11220 -10.16000 1.000 27.45022 ? 99  GLY   B O   1 
ATOM   1305 N N   . GLU   B 1 58  ? 28.79290 -11.68469 -8.00686  1.000 36.91671 ? 100 GLU   B N   1 
ATOM   1306 C CA  . GLU   B 1 58  ? 28.87303 -13.10516 -7.67968  1.000 37.85464 ? 100 GLU   B CA  1 
ATOM   1307 C C   . GLU   B 1 58  ? 27.52350 -13.79670 -7.78855  1.000 36.18226 ? 100 GLU   B C   1 
ATOM   1308 O O   . GLU   B 1 58  ? 27.47229 -15.03026 -7.78700  1.000 32.98229 ? 100 GLU   B O   1 
ATOM   1309 C CB  . GLU   B 1 58  ? 29.43147 -13.32154 -6.27250  1.000 44.76292 ? 100 GLU   B CB  1 
ATOM   1310 C CG  . GLU   B 1 58  ? 30.88482 -12.92035 -6.10424  1.000 50.19816 ? 100 GLU   B CG  1 
ATOM   1311 C CD  . GLU   B 1 58  ? 31.14583 -12.21430 -4.77967  1.000 64.86570 ? 100 GLU   B CD  1 
ATOM   1312 O OE1 . GLU   B 1 58  ? 32.32883 -12.13554 -4.37844  1.000 63.96175 ? 100 GLU   B OE1 1 
ATOM   1313 O OE2 . GLU   B 1 58  ? 30.17167 -11.77011 -4.12453  1.000 59.09119 ? 100 GLU   B OE2 1 
ATOM   1314 N N   . GLU   B 1 59  ? 26.43475 -13.03719 -7.88561  1.000 38.72508 ? 101 GLU   B N   1 
ATOM   1315 C CA  . GLU   B 1 59  ? 25.10808 -13.62070 -7.96306  1.000 35.06584 ? 101 GLU   B CA  1 
ATOM   1316 C C   . GLU   B 1 59  ? 24.21028 -12.72924 -8.80064  1.000 35.03611 ? 101 GLU   B C   1 
ATOM   1317 O O   . GLU   B 1 59  ? 24.40134 -11.51149 -8.87301  1.000 37.18193 ? 101 GLU   B O   1 
ATOM   1318 C CB  . GLU   B 1 59  ? 24.48942 -13.82185 -6.57102  1.000 37.89833 ? 101 GLU   B CB  1 
ATOM   1319 C CG  . GLU   B 1 59  ? 24.71974 -15.19875 -5.96069  1.000 34.82537 ? 101 GLU   B CG  1 
ATOM   1320 C CD  . GLU   B 1 59  ? 24.23938 -16.32528 -6.85623  1.000 52.82504 ? 101 GLU   B CD  1 
ATOM   1321 O OE1 . GLU   B 1 59  ? 24.76614 -17.45348 -6.72297  1.000 61.19430 ? 101 GLU   B OE1 1 
ATOM   1322 O OE2 . GLU   B 1 59  ? 23.33072 -16.08641 -7.68852  1.000 51.18201 ? 101 GLU   B OE2 1 
ATOM   1323 N N   . ASP   B 1 60  ? 23.22733 -13.36472 -9.42716  1.000 34.04745 ? 102 ASP   B N   1 
ATOM   1324 C CA  . ASP   B 1 60  ? 22.23507 -12.70411 -10.25944 1.000 27.81117 ? 102 ASP   B CA  1 
ATOM   1325 C C   . ASP   B 1 60  ? 21.04987 -12.27117 -9.40036  1.000 31.95884 ? 102 ASP   B C   1 
ATOM   1326 O O   . ASP   B 1 60  ? 20.54082 -13.06341 -8.59786  1.000 28.93893 ? 102 ASP   B O   1 
ATOM   1327 C CB  . ASP   B 1 60  ? 21.77858 -13.67122 -11.35155 1.000 27.01676 ? 102 ASP   B CB  1 
ATOM   1328 C CG  . ASP   B 1 60  ? 21.32883 -12.97345 -12.59065 1.000 35.23813 ? 102 ASP   B CG  1 
ATOM   1329 O OD1 . ASP   B 1 60  ? 20.13829 -12.60385 -12.67133 1.000 42.79529 ? 102 ASP   B OD1 1 
ATOM   1330 O OD2 . ASP   B 1 60  ? 22.17778 -12.77929 -13.48202 1.000 38.54282 ? 102 ASP   B OD2 1 
ATOM   1331 N N   . PHE   B 1 61  ? 20.60754 -11.01815 -9.56794  1.000 31.12861 ? 103 PHE   B N   1 
ATOM   1332 C CA  . PHE   B 1 61  ? 19.46699 -10.54092 -8.78912  1.000 20.13898 ? 103 PHE   B CA  1 
ATOM   1333 C C   . PHE   B 1 61  ? 18.28769 -11.49148 -8.91315  1.000 19.27361 ? 103 PHE   B C   1 
ATOM   1334 O O   . PHE   B 1 61  ? 17.75508 -11.97507 -7.90796  1.000 22.39495 ? 103 PHE   B O   1 
ATOM   1335 C CB  . PHE   B 1 61  ? 19.05362 -9.13234  -9.21751  1.000 16.28394 ? 103 PHE   B CB  1 
ATOM   1336 C CG  . PHE   B 1 61  ? 17.82680 -8.61959  -8.50205  1.000 18.16602 ? 103 PHE   B CG  1 
ATOM   1337 C CD1 . PHE   B 1 61  ? 16.54189 -8.96325  -8.93526  1.000 20.56586 ? 103 PHE   B CD1 1 
ATOM   1338 C CD2 . PHE   B 1 61  ? 17.95085 -7.78777  -7.39438  1.000 22.36877 ? 103 PHE   B CD2 1 
ATOM   1339 C CE1 . PHE   B 1 61  ? 15.40839 -8.51051  -8.26432  1.000 15.62196 ? 103 PHE   B CE1 1 
ATOM   1340 C CE2 . PHE   B 1 61  ? 16.81064 -7.30813  -6.71779  1.000 20.50766 ? 103 PHE   B CE2 1 
ATOM   1341 C CZ  . PHE   B 1 61  ? 15.54264 -7.67620  -7.15406  1.000 19.43557 ? 103 PHE   B CZ  1 
ATOM   1342 N N   . GLU   B 1 62  ? 17.85838 -11.76318 -10.14410 1.000 26.85808 ? 104 GLU   B N   1 
ATOM   1343 C CA  . GLU   B 1 62  ? 16.69117 -12.61562 -10.35016 1.000 32.97366 ? 104 GLU   B CA  1 
ATOM   1344 C C   . GLU   B 1 62  ? 16.87893 -13.99898 -9.73386  1.000 28.69194 ? 104 GLU   B C   1 
ATOM   1345 O O   . GLU   B 1 62  ? 15.92038 -14.58588 -9.21241  1.000 23.71606 ? 104 GLU   B O   1 
ATOM   1346 C CB  . GLU   B 1 62  ? 16.38710 -12.72381 -11.84877 1.000 39.26272 ? 104 GLU   B CB  1 
ATOM   1347 C CG  . GLU   B 1 62  ? 16.29354 -11.37364 -12.57645 1.000 39.86238 ? 104 GLU   B CG  1 
ATOM   1348 C CD  . GLU   B 1 62  ? 14.98978 -11.23378 -13.38255 1.000 64.60364 ? 104 GLU   B CD  1 
ATOM   1349 O OE1 . GLU   B 1 62  ? 14.21559 -10.28448 -13.10735 1.000 58.80865 ? 104 GLU   B OE1 1 
ATOM   1350 O OE2 . GLU   B 1 62  ? 14.72845 -12.07679 -14.27723 1.000 61.01095 ? 104 GLU   B OE2 1 
ATOM   1351 N N   . SER   B 1 63  ? 18.10588 -14.52256 -9.77100  1.000 26.30832 ? 105 SER   B N   1 
ATOM   1352 C CA  . SER   B 1 63  ? 18.37757 -15.84523 -9.22116  1.000 25.78372 ? 105 SER   B CA  1 
ATOM   1353 C C   . SER   B 1 63  ? 18.22083 -15.85664 -7.70982  1.000 26.23348 ? 105 SER   B C   1 
ATOM   1354 O O   . SER   B 1 63  ? 17.59375 -16.76560 -7.15067  1.000 26.08305 ? 105 SER   B O   1 
ATOM   1355 C CB  . SER   B 1 63  ? 19.78730 -16.27742 -9.60499  1.000 30.54705 ? 105 SER   B CB  1 
ATOM   1356 O OG  . SER   B 1 63  ? 19.94435 -16.17336 -11.00574 1.000 45.94536 ? 105 SER   B OG  1 
ATOM   1357 N N   . LEU   B 1 64  ? 18.80239 -14.86043 -7.03549  1.000 23.17187 ? 106 LEU   B N   1 
ATOM   1358 C CA  . LEU   B 1 64  ? 18.63025 -14.72725 -5.59606  1.000 19.35577 ? 106 LEU   B CA  1 
ATOM   1359 C C   . LEU   B 1 64  ? 17.15251 -14.63947 -5.21610  1.000 23.18435 ? 106 LEU   B C   1 
ATOM   1360 O O   . LEU   B 1 64  ? 16.70540 -15.31444 -4.28183  1.000 22.08644 ? 106 LEU   B O   1 
ATOM   1361 C CB  . LEU   B 1 64  ? 19.40514 -13.50792 -5.10923  1.000 17.58695 ? 106 LEU   B CB  1 
ATOM   1362 C CG  . LEU   B 1 64  ? 20.92396 -13.69068 -5.15137  1.000 26.57470 ? 106 LEU   B CG  1 
ATOM   1363 C CD1 . LEU   B 1 64  ? 21.63829 -12.48256 -4.52900  1.000 23.95666 ? 106 LEU   B CD1 1 
ATOM   1364 C CD2 . LEU   B 1 64  ? 21.34167 -14.99402 -4.46123  1.000 17.01795 ? 106 LEU   B CD2 1 
ATOM   1365 N N   . ALA   B 1 65  ? 16.36848 -13.84872 -5.95687  1.000 22.41768 ? 107 ALA   B N   1 
ATOM   1366 C CA  . ALA   B 1 65  ? 14.95753 -13.69709 -5.62487  1.000 17.72217 ? 107 ALA   B CA  1 
ATOM   1367 C C   . ALA   B 1 65  ? 14.18862 -15.00256 -5.78255  1.000 23.01089 ? 107 ALA   B C   1 
ATOM   1368 O O   . ALA   B 1 65  ? 13.26327 -15.26943 -4.99912  1.000 22.58883 ? 107 ALA   B O   1 
ATOM   1369 C CB  . ALA   B 1 65  ? 14.31616 -12.60498 -6.48249  1.000 16.11313 ? 107 ALA   B CB  1 
ATOM   1370 N N   . SER   B 1 66  ? 14.53018 -15.82698 -6.78063  1.000 20.01805 ? 108 SER   B N   1 
ATOM   1371 C CA  . SER   B 1 66  ? 13.76715 -17.06233 -6.93713  1.000 24.66061 ? 108 SER   B CA  1 
ATOM   1372 C C   . SER   B 1 66  ? 14.12002 -18.08145 -5.86221  1.000 21.07009 ? 108 SER   B C   1 
ATOM   1373 O O   . SER   B 1 66  ? 13.27798 -18.92295 -5.52498  1.000 19.34664 ? 108 SER   B O   1 
ATOM   1374 C CB  . SER   B 1 66  ? 13.96640 -17.66439 -8.32722  1.000 22.00289 ? 108 SER   B CB  1 
ATOM   1375 O OG  . SER   B 1 66  ? 15.33124 -17.91683 -8.56956  1.000 28.64695 ? 108 SER   B OG  1 
ATOM   1376 N N   . GLN   B 1 67  ? 15.32405 -17.99659 -5.29465  1.000 20.71584 ? 109 GLN   B N   1 
ATOM   1377 C CA  . GLN   B 1 67  ? 15.73851 -18.88758 -4.21728  1.000 25.32805 ? 109 GLN   B CA  1 
ATOM   1378 C C   . GLN   B 1 67  ? 15.32231 -18.40222 -2.83118  1.000 22.92426 ? 109 GLN   B C   1 
ATOM   1379 O O   . GLN   B 1 67  ? 14.92936 -19.21786 -1.98723  1.000 21.36490 ? 109 GLN   B O   1 
ATOM   1380 C CB  . GLN   B 1 67  ? 17.25703 -19.06382 -4.22258  1.000 22.49897 ? 109 GLN   B CB  1 
ATOM   1381 C CG  . GLN   B 1 67  ? 17.80220 -19.88991 -5.36365  1.000 27.75479 ? 109 GLN   B CG  1 
ATOM   1382 C CD  . GLN   B 1 67  ? 19.32314 -19.82079 -5.44240  1.000 32.25456 ? 109 GLN   B CD  1 
ATOM   1383 O OE1 . GLN   B 1 67  ? 20.01042 -20.64529 -4.84666  1.000 25.97052 ? 109 GLN   B OE1 1 
ATOM   1384 N NE2 . GLN   B 1 67  ? 19.85170 -18.84315 -6.18117  1.000 34.23028 ? 109 GLN   B NE2 1 
ATOM   1385 N N   . PHE   B 1 68  ? 15.41769 -17.09299 -2.56103  1.000 19.60039 ? 110 PHE   B N   1 
ATOM   1386 C CA  . PHE   B 1 68  ? 15.41927 -16.62089 -1.18181  1.000 19.59627 ? 110 PHE   B CA  1 
ATOM   1387 C C   . PHE   B 1 68  ? 14.38112 -15.55790 -0.83859  1.000 18.60996 ? 110 PHE   B C   1 
ATOM   1388 O O   . PHE   B 1 68  ? 14.33275 -15.12124 0.32013   1.000 14.94026 ? 110 PHE   B O   1 
ATOM   1389 C CB  . PHE   B 1 68  ? 16.80938 -16.09167 -0.81924  1.000 14.11098 ? 110 PHE   B CB  1 
ATOM   1390 C CG  . PHE   B 1 68  ? 17.90462 -17.09840 -1.01961  1.000 20.65679 ? 110 PHE   B CG  1 
ATOM   1391 C CD1 . PHE   B 1 68  ? 17.86611 -18.32105 -0.36686  1.000 20.52122 ? 110 PHE   B CD1 1 
ATOM   1392 C CD2 . PHE   B 1 68  ? 18.98229 -16.82097 -1.85411  1.000 22.44728 ? 110 PHE   B CD2 1 
ATOM   1393 C CE1 . PHE   B 1 68  ? 18.88157 -19.25423 -0.54005  1.000 16.10270 ? 110 PHE   B CE1 1 
ATOM   1394 C CE2 . PHE   B 1 68  ? 19.99984 -17.74454 -2.02822  1.000 23.25722 ? 110 PHE   B CE2 1 
ATOM   1395 C CZ  . PHE   B 1 68  ? 19.94586 -18.96495 -1.36866  1.000 21.24975 ? 110 PHE   B CZ  1 
ATOM   1396 N N   . SER   B 1 69  ? 13.54631 -15.13489 -1.78174  1.000 14.19028 ? 111 SER   B N   1 
ATOM   1397 C CA  . SER   B 1 69  ? 12.52881 -14.14756 -1.45637  1.000 16.51966 ? 111 SER   B CA  1 
ATOM   1398 C C   . SER   B 1 69  ? 11.32532 -14.81152 -0.79755  1.000 15.34463 ? 111 SER   B C   1 
ATOM   1399 O O   . SER   B 1 69  ? 10.78312 -15.78844 -1.31895  1.000 13.76684 ? 111 SER   B O   1 
ATOM   1400 C CB  . SER   B 1 69  ? 12.09193 -13.39425 -2.70121  1.000 13.68846 ? 111 SER   B CB  1 
ATOM   1401 O OG  . SER   B 1 69  ? 11.06295 -12.48292 -2.37126  1.000 15.10528 ? 111 SER   B OG  1 
ATOM   1402 N N   . ASP   B 1 70  ? 10.90445 -14.26994 0.34829   1.000 13.07871 ? 112 ASP   B N   1 
ATOM   1403 C CA  . ASP   B 1 70  ? 9.74223  -14.77101 1.08544   1.000 14.76683 ? 112 ASP   B CA  1 
ATOM   1404 C C   . ASP   B 1 70  ? 8.42203  -14.29750 0.48403   1.000 17.95923 ? 112 ASP   B C   1 
ATOM   1405 O O   . ASP   B 1 70  ? 7.46324  -14.04300 1.21681   1.000 21.14175 ? 112 ASP   B O   1 
ATOM   1406 C CB  . ASP   B 1 70  ? 9.84471  -14.35520 2.55611   1.000 12.43005 ? 112 ASP   B CB  1 
ATOM   1407 C CG  . ASP   B 1 70  ? 10.96058 -15.08622 3.30091   1.000 14.40004 ? 112 ASP   B CG  1 
ATOM   1408 O OD1 . ASP   B 1 70  ? 10.92914 -16.33444 3.34490   1.000 11.23309 ? 112 ASP   B OD1 1 
ATOM   1409 O OD2 . ASP   B 1 70  ? 11.87788 -14.40867 3.83050   1.000 12.84404 ? 112 ASP   B OD2 1 
ATOM   1410 N N   . CYS   B 1 71  ? 8.35452  -14.17025 -0.84211  1.000 16.29745 ? 113 CYS   B N   1 
ATOM   1411 C CA  . CYS   B 1 71  ? 7.18038  -13.68373 -1.55346  1.000 18.91223 ? 113 CYS   B CA  1 
ATOM   1412 C C   . CYS   B 1 71  ? 6.80392  -14.69324 -2.62568  1.000 23.22406 ? 113 CYS   B C   1 
ATOM   1413 O O   . CYS   B 1 71  ? 7.66719  -15.41038 -3.13917  1.000 22.42470 ? 113 CYS   B O   1 
ATOM   1414 C CB  . CYS   B 1 71  ? 7.45681  -12.32289 -2.20090  1.000 18.68687 ? 113 CYS   B CB  1 
ATOM   1415 S SG  . CYS   B 1 71  ? 6.39890  -10.99099 -1.65320  1.000 22.04989 ? 113 CYS   B SG  1 
ATOM   1416 N N   . SER   B 1 72  ? 5.51148  -14.75482 -2.96901  1.000 24.64410 ? 114 SER   B N   1 
ATOM   1417 C CA  . SER   B 1 72  ? 5.10959  -15.68015 -4.03160  1.000 31.24081 ? 114 SER   B CA  1 
ATOM   1418 C C   . SER   B 1 72  ? 5.71299  -15.26861 -5.36382  1.000 27.27144 ? 114 SER   B C   1 
ATOM   1419 O O   . SER   B 1 72  ? 5.98154  -16.12724 -6.21490  1.000 19.55512 ? 114 SER   B O   1 
ATOM   1420 C CB  . SER   B 1 72  ? 3.58252  -15.78127 -4.15069  1.000 34.12032 ? 114 SER   B CB  1 
ATOM   1421 O OG  . SER   B 1 72  ? 3.00280  -14.63111 -4.74310  1.000 39.54977 ? 114 SER   B OG  1 
ATOM   1422 N N   . SER   B 1 73  ? 5.96716  -13.96575 -5.54159  1.000 23.80894 ? 115 SER   B N   1 
ATOM   1423 C CA  . SER   B 1 73  ? 6.65486  -13.46171 -6.72206  1.000 20.45845 ? 115 SER   B CA  1 
ATOM   1424 C C   . SER   B 1 73  ? 8.01714  -14.10881 -6.92633  1.000 25.68790 ? 115 SER   B C   1 
ATOM   1425 O O   . SER   B 1 73  ? 8.60099  -13.95548 -8.00916  1.000 26.90217 ? 115 SER   B O   1 
ATOM   1426 C CB  . SER   B 1 73  ? 6.82007  -11.94727 -6.62512  1.000 18.58236 ? 115 SER   B CB  1 
ATOM   1427 O OG  . SER   B 1 73  ? 7.74982  -11.61986 -5.60821  1.000 21.22614 ? 115 SER   B OG  1 
ATOM   1428 N N   . ALA   B 1 74  ? 8.54795  -14.81318 -5.92026  1.000 21.31514 ? 116 ALA   B N   1 
ATOM   1429 C CA  . ALA   B 1 74  ? 9.76725  -15.57818 -6.14707  1.000 21.57166 ? 116 ALA   B CA  1 
ATOM   1430 C C   . ALA   B 1 74  ? 9.58686  -16.52945 -7.32284  1.000 22.55027 ? 116 ALA   B C   1 
ATOM   1431 O O   . ALA   B 1 74  ? 10.52106 -16.74823 -8.10327  1.000 16.23382 ? 116 ALA   B O   1 
ATOM   1432 C CB  . ALA   B 1 74  ? 10.15733 -16.33898 -4.88014  1.000 12.67123 ? 116 ALA   B CB  1 
ATOM   1433 N N   . LYS   B 1 75  ? 8.37391  -17.08484 -7.47081  1.000 21.91348 ? 117 LYS   B N   1 
ATOM   1434 C CA  . LYS   B 1 75  ? 8.08834  -18.02280 -8.54705  1.000 23.13902 ? 117 LYS   B CA  1 
ATOM   1435 C C   . LYS   B 1 75  ? 8.10177  -17.33153 -9.90759  1.000 28.50990 ? 117 LYS   B C   1 
ATOM   1436 O O   . LYS   B 1 75  ? 8.34092  -17.98307 -10.92943 1.000 28.10735 ? 117 LYS   B O   1 
ATOM   1437 C CB  . LYS   B 1 75  ? 6.74518  -18.70939 -8.29327  1.000 23.71816 ? 117 LYS   B CB  1 
ATOM   1438 C CG  . LYS   B 1 75  ? 5.53803  -18.00924 -8.92307  1.000 26.01699 ? 117 LYS   B CG  1 
ATOM   1439 N N   . ALA   B 1 76  ? 7.85647  -16.02041 -9.93983  1.000 25.91429 ? 118 ALA   B N   1 
ATOM   1440 C CA  . ALA   B 1 76  ? 8.05179  -15.21194 -11.13411 1.000 25.95453 ? 118 ALA   B CA  1 
ATOM   1441 C C   . ALA   B 1 76  ? 9.42520  -14.55318 -11.16112 1.000 23.36366 ? 118 ALA   B C   1 
ATOM   1442 O O   . ALA   B 1 76  ? 9.57679  -13.47454 -11.75251 1.000 22.46058 ? 118 ALA   B O   1 
ATOM   1443 C CB  . ALA   B 1 76  ? 6.94671  -14.15904 -11.24480 1.000 28.27412 ? 118 ALA   B CB  1 
ATOM   1444 N N   . ARG   B 1 77  ? 10.42034 -15.17524 -10.51763 1.000 19.79416 ? 119 ARG   B N   1 
ATOM   1445 C CA  . ARG   B 1 77  ? 11.79587 -14.66656 -10.43923 1.000 18.29118 ? 119 ARG   B CA  1 
ATOM   1446 C C   . ARG   B 1 77  ? 11.84508 -13.23216 -9.90400  1.000 20.49268 ? 119 ARG   B C   1 
ATOM   1447 O O   . ARG   B 1 77  ? 12.74091 -12.44613 -10.24271 1.000 18.17418 ? 119 ARG   B O   1 
ATOM   1448 C CB  . ARG   B 1 77  ? 12.50307 -14.78279 -11.79226 1.000 26.81749 ? 119 ARG   B CB  1 
ATOM   1449 C CG  . ARG   B 1 77  ? 12.70267 -16.24126 -12.26418 1.000 32.84053 ? 119 ARG   B CG  1 
ATOM   1450 C CD  . ARG   B 1 77  ? 13.44772 -16.36582 -13.61813 1.000 28.76913 ? 119 ARG   B CD  1 
ATOM   1451 N NE  . ARG   B 1 77  ? 14.87320 -16.05218 -13.54005 1.000 27.59143 ? 119 ARG   B NE  1 
ATOM   1452 C CZ  . ARG   B 1 77  ? 15.77095 -16.78816 -12.89490 1.000 32.01415 ? 119 ARG   B CZ  1 
ATOM   1453 N NH1 . ARG   B 1 77  ? 15.42912 -17.90036 -12.25729 1.000 28.07962 ? 119 ARG   B NH1 1 
ATOM   1454 N NH2 . ARG   B 1 77  ? 17.04265 -16.39672 -12.88229 1.000 24.60118 ? 119 ARG   B NH2 1 
ATOM   1455 N N   . GLY   B 1 78  ? 10.87892 -12.88536 -9.05167  1.000 17.20971 ? 120 GLY   B N   1 
ATOM   1456 C CA  . GLY   B 1 78  ? 10.84325 -11.59805 -8.39776  1.000 19.36748 ? 120 GLY   B CA  1 
ATOM   1457 C C   . GLY   B 1 78  ? 9.98786  -10.55807 -9.08204  1.000 18.57287 ? 120 GLY   B C   1 
ATOM   1458 O O   . GLY   B 1 78  ? 9.76279  -9.48859  -8.50107  1.000 19.99519 ? 120 GLY   B O   1 
ATOM   1459 N N   . ASP   B 1 79  ? 9.48964  -10.84857 -10.28071 1.000 19.99315 ? 121 ASP   B N   1 
ATOM   1460 C CA  . ASP   B 1 79  ? 8.75344  -9.87362  -11.07113 1.000 20.78380 ? 121 ASP   B CA  1 
ATOM   1461 C C   . ASP   B 1 79  ? 7.34851  -9.65926  -10.51082 1.000 23.00401 ? 121 ASP   B C   1 
ATOM   1462 O O   . ASP   B 1 79  ? 6.58988  -10.61898 -10.32499 1.000 26.71976 ? 121 ASP   B O   1 
ATOM   1463 C CB  . ASP   B 1 79  ? 8.67416  -10.34048 -12.52046 1.000 17.18684 ? 121 ASP   B CB  1 
ATOM   1464 C CG  . ASP   B 1 79  ? 7.87035  -9.39751  -13.38762 1.000 21.70869 ? 121 ASP   B CG  1 
ATOM   1465 O OD1 . ASP   B 1 79  ? 8.11082  -8.16729  -13.34204 1.000 17.54311 ? 121 ASP   B OD1 1 
ATOM   1466 O OD2 . ASP   B 1 79  ? 6.98304  -9.88821  -14.10762 1.000 30.39878 ? 121 ASP   B OD2 1 
ATOM   1467 N N   . LEU   B 1 80  ? 6.99693  -8.39327  -10.25672 1.000 18.68802 ? 122 LEU   B N   1 
ATOM   1468 C CA  . LEU   B 1 80  ? 5.67610  -8.04417  -9.75180  1.000 18.48810 ? 122 LEU   B CA  1 
ATOM   1469 C C   . LEU   B 1 80  ? 4.74995  -7.51882  -10.83583 1.000 25.35907 ? 122 LEU   B C   1 
ATOM   1470 O O   . LEU   B 1 80  ? 3.55870  -7.32048  -10.56748 1.000 24.34230 ? 122 LEU   B O   1 
ATOM   1471 C CB  . LEU   B 1 80  ? 5.78697  -6.99821  -8.63564  1.000 20.60888 ? 122 LEU   B CB  1 
ATOM   1472 C CG  . LEU   B 1 80  ? 6.52740  -7.42462  -7.35956  1.000 20.90885 ? 122 LEU   B CG  1 
ATOM   1473 C CD1 . LEU   B 1 80  ? 6.81436  -6.22719  -6.48559  1.000 17.88512 ? 122 LEU   B CD1 1 
ATOM   1474 C CD2 . LEU   B 1 80  ? 5.75681  -8.47104  -6.57748  1.000 19.28118 ? 122 LEU   B CD2 1 
ATOM   1475 N N   . GLY   B 1 81  ? 5.25828  -7.31460  -12.05190 1.000 25.28266 ? 123 GLY   B N   1 
ATOM   1476 C CA  . GLY   B 1 81  ? 4.51384  -6.63545  -13.08859 1.000 20.23932 ? 123 GLY   B CA  1 
ATOM   1477 C C   . GLY   B 1 81  ? 4.46047  -5.13847  -12.84585 1.000 20.85855 ? 123 GLY   B C   1 
ATOM   1478 O O   . GLY   B 1 81  ? 4.92155  -4.61329  -11.82557 1.000 20.69883 ? 123 GLY   B O   1 
ATOM   1479 N N   . ALA   B 1 82  ? 3.88268  -4.43421  -13.81364 1.000 18.72397 ? 124 ALA   B N   1 
ATOM   1480 C CA  . ALA   B 1 82  ? 3.77796  -2.98682  -13.70640 1.000 20.43391 ? 124 ALA   B CA  1 
ATOM   1481 C C   . ALA   B 1 82  ? 2.65716  -2.61007  -12.75389 1.000 19.14314 ? 124 ALA   B C   1 
ATOM   1482 O O   . ALA   B 1 82  ? 1.75674  -3.40009  -12.47168 1.000 22.91366 ? 124 ALA   B O   1 
ATOM   1483 C CB  . ALA   B 1 82  ? 3.53767  -2.34193  -15.07093 1.000 23.48531 ? 124 ALA   B CB  1 
ATOM   1484 N N   . PHE   B 1 83  ? 2.72979  -1.38547  -12.24665 1.000 19.95247 ? 125 PHE   B N   1 
ATOM   1485 C CA  . PHE   B 1 83  ? 1.75134  -0.91506  -11.27974 1.000 22.93371 ? 125 PHE   B CA  1 
ATOM   1486 C C   . PHE   B 1 83  ? 1.83624  0.60019   -11.21871 1.000 25.39831 ? 125 PHE   B C   1 
ATOM   1487 O O   . PHE   B 1 83  ? 2.88658  1.18647   -11.49175 1.000 24.60803 ? 125 PHE   B O   1 
ATOM   1488 C CB  . PHE   B 1 83  ? 1.96940  -1.52700  -9.88313  1.000 26.09041 ? 125 PHE   B CB  1 
ATOM   1489 C CG  . PHE   B 1 83  ? 3.35893  -1.32597  -9.32722  1.000 19.61491 ? 125 PHE   B CG  1 
ATOM   1490 C CD1 . PHE   B 1 83  ? 3.66841  -0.19016  -8.59437  1.000 20.11340 ? 125 PHE   B CD1 1 
ATOM   1491 C CD2 . PHE   B 1 83  ? 4.35548  -2.28761  -9.53406  1.000 19.77187 ? 125 PHE   B CD2 1 
ATOM   1492 C CE1 . PHE   B 1 83  ? 4.95330  0.00200   -8.08990  1.000 22.95214 ? 125 PHE   B CE1 1 
ATOM   1493 C CE2 . PHE   B 1 83  ? 5.63757  -2.11446  -9.02922  1.000 20.00087 ? 125 PHE   B CE2 1 
ATOM   1494 C CZ  . PHE   B 1 83  ? 5.94162  -0.96226  -8.30344  1.000 22.15712 ? 125 PHE   B CZ  1 
ATOM   1495 N N   . SER   B 1 84  ? 0.72085  1.22246   -10.85601 1.000 30.59647 ? 126 SER   B N   1 
ATOM   1496 C CA  . SER   B 1 84  ? 0.63025  2.66808   -10.78017 1.000 33.45759 ? 126 SER   B CA  1 
ATOM   1497 C C   . SER   B 1 84  ? 0.78107  3.11582   -9.33336  1.000 27.39286 ? 126 SER   B C   1 
ATOM   1498 O O   . SER   B 1 84  ? 1.08806  2.31936   -8.43947  1.000 22.25052 ? 126 SER   B O   1 
ATOM   1499 C CB  . SER   B 1 84  ? -0.69102 3.15684   -11.38422 1.000 26.85595 ? 126 SER   B CB  1 
ATOM   1500 O OG  . SER   B 1 84  ? -0.65331 3.11941   -12.80457 1.000 33.15660 ? 126 SER   B OG  1 
ATOM   1501 N N   . ARG   B 1 85  ? 0.56897  4.41007   -9.10933  1.000 25.54952 ? 127 ARG   B N   1 
ATOM   1502 C CA  . ARG   B 1 85  ? 0.55681  4.97589   -7.77213  1.000 18.12450 ? 127 ARG   B CA  1 
ATOM   1503 C C   . ARG   B 1 85  ? -0.70774 4.55516   -7.03468  1.000 35.62423 ? 127 ARG   B C   1 
ATOM   1504 O O   . ARG   B 1 85  ? -1.75266 4.30457   -7.64400  1.000 32.11860 ? 127 ARG   B O   1 
ATOM   1505 C CB  . ARG   B 1 85  ? 0.63157  6.49061   -7.84205  1.000 15.61165 ? 127 ARG   B CB  1 
ATOM   1506 C CG  . ARG   B 1 85  ? 1.90691  7.02196   -8.46681  1.000 21.01655 ? 127 ARG   B CG  1 
ATOM   1507 C CD  . ARG   B 1 85  ? 2.91628  7.28329   -7.40622  1.000 21.02587 ? 127 ARG   B CD  1 
ATOM   1508 N NE  . ARG   B 1 85  ? 3.81668  8.38264   -7.71430  1.000 23.42915 ? 127 ARG   B NE  1 
ATOM   1509 C CZ  . ARG   B 1 85  ? 4.90235  8.66477   -7.00702  1.000 24.97198 ? 127 ARG   B CZ  1 
ATOM   1510 N NH1 . ARG   B 1 85  ? 5.25869  7.92507   -5.96509  1.000 25.78558 ? 127 ARG   B NH1 1 
ATOM   1511 N NH2 . ARG   B 1 85  ? 5.64331  9.71821   -7.34677  1.000 21.54883 ? 127 ARG   B NH2 1 
ATOM   1512 N N   . GLY   B 1 86  ? -0.60230 4.47564   -5.70427  1.000 40.97470 ? 128 GLY   B N   1 
ATOM   1513 C CA  . GLY   B 1 86  ? -1.68018 3.94405   -4.88998  1.000 25.49133 ? 128 GLY   B CA  1 
ATOM   1514 C C   . GLY   B 1 86  ? -2.00692 2.48350   -5.14173  1.000 36.85139 ? 128 GLY   B C   1 
ATOM   1515 O O   . GLY   B 1 86  ? -3.05810 2.01508   -4.71020  1.000 48.50811 ? 128 GLY   B O   1 
ATOM   1516 N N   . GLN   B 1 87  ? -1.13927 1.73905   -5.82907  1.000 33.46475 ? 129 GLN   B N   1 
ATOM   1517 C CA  . GLN   B 1 87  ? -1.39729 0.32475   -6.08286  1.000 36.12925 ? 129 GLN   B CA  1 
ATOM   1518 C C   . GLN   B 1 87  ? -0.62146 -0.61755  -5.15474  1.000 39.10992 ? 129 GLN   B C   1 
ATOM   1519 O O   . GLN   B 1 87  ? -0.95282 -1.81000  -5.08833  1.000 30.45374 ? 129 GLN   B O   1 
ATOM   1520 C CB  . GLN   B 1 87  ? -1.07451 -0.01470  -7.54626  1.000 32.17933 ? 129 GLN   B CB  1 
ATOM   1521 C CG  . GLN   B 1 87  ? -2.12442 -0.87581  -8.25073  1.000 34.73101 ? 129 GLN   B CG  1 
ATOM   1522 C CD  . GLN   B 1 87  ? -2.27346 -0.56822  -9.75229  1.000 43.03342 ? 129 GLN   B CD  1 
ATOM   1523 O OE1 . GLN   B 1 87  ? -1.85754 0.48906   -10.23452 1.000 36.78831 ? 129 GLN   B OE1 1 
ATOM   1524 N NE2 . GLN   B 1 87  ? -2.88489 -1.49820  -10.48925 1.000 45.47831 ? 129 GLN   B NE2 1 
ATOM   1525 N N   . MET   B 1 88  ? 0.39609  -0.12179  -4.44253  1.000 37.23607 ? 130 MET   B N   1 
ATOM   1526 C CA  . MET   B 1 88  ? 1.16188  -0.89638  -3.46488  1.000 33.32002 ? 130 MET   B CA  1 
ATOM   1527 C C   . MET   B 1 88  ? 1.17194  -0.14184  -2.13515  1.000 32.96931 ? 130 MET   B C   1 
ATOM   1528 O O   . MET   B 1 88  ? 0.59736  0.94744   -2.01705  1.000 36.63184 ? 130 MET   B O   1 
ATOM   1529 C CB  . MET   B 1 88  ? 2.59190  -1.16167  -3.95275  1.000 24.97678 ? 130 MET   B CB  1 
ATOM   1530 C CG  . MET   B 1 88  ? 2.70387  -1.71507  -5.37076  1.000 24.92281 ? 130 MET   B CG  1 
ATOM   1531 S SD  . MET   B 1 88  ? 2.24887  -3.46562  -5.50485  1.000 37.45723 ? 130 MET   B SD  1 
ATOM   1532 C CE  . MET   B 1 88  ? 3.28630  -4.04725  -6.83498  1.000 26.29117 ? 130 MET   B CE  1 
ATOM   1533 N N   . GLN   B 1 89  ? 1.80855  -0.73097  -1.11723  1.000 36.54418 ? 131 GLN   B N   1 
ATOM   1534 C CA  . GLN   B 1 89  ? 2.03761  -0.00405  0.13044   1.000 31.16647 ? 131 GLN   B CA  1 
ATOM   1535 C C   . GLN   B 1 89  ? 2.88729  1.22354   -0.16002  1.000 26.89037 ? 131 GLN   B C   1 
ATOM   1536 O O   . GLN   B 1 89  ? 3.74836  1.20530   -1.04186  1.000 30.05909 ? 131 GLN   B O   1 
ATOM   1537 C CB  . GLN   B 1 89  ? 2.74361  -0.87940  1.17614   1.000 23.44228 ? 131 GLN   B CB  1 
ATOM   1538 C CG  . GLN   B 1 89  ? 2.31729  -2.32819  1.20357   1.000 30.82037 ? 131 GLN   B CG  1 
ATOM   1539 C CD  . GLN   B 1 89  ? 3.26941  -3.19861  2.00102   1.000 41.93115 ? 131 GLN   B CD  1 
ATOM   1540 O OE1 . GLN   B 1 89  ? 2.94880  -3.65641  3.10395   1.000 45.76321 ? 131 GLN   B OE1 1 
ATOM   1541 N NE2 . GLN   B 1 89  ? 4.45136  -3.42868  1.44916   1.000 33.46304 ? 131 GLN   B NE2 1 
ATOM   1542 N N   . LYS   B 1 90  ? 2.63964  2.29964   0.58413   1.000 28.77123 ? 132 LYS   B N   1 
ATOM   1543 C CA  . LYS   B 1 90  ? 3.30630  3.56392   0.27545   1.000 29.40758 ? 132 LYS   B CA  1 
ATOM   1544 C C   . LYS   B 1 90  ? 4.83282  3.48708   0.29128   1.000 24.58459 ? 132 LYS   B C   1 
ATOM   1545 O O   . LYS   B 1 90  ? 5.45126  4.05629   -0.62530  1.000 26.01783 ? 132 LYS   B O   1 
ATOM   1546 C CB  . LYS   B 1 90  ? 2.81691  4.66627   1.22567   1.000 33.11356 ? 132 LYS   B CB  1 
ATOM   1547 C CG  . LYS   B 1 90  ? 2.94347  6.08194   0.64467   1.000 29.16167 ? 132 LYS   B CG  1 
ATOM   1548 C CD  . LYS   B 1 90  ? 2.20476  6.21777   -0.70130  1.000 37.28437 ? 132 LYS   B CD  1 
ATOM   1549 C CE  . LYS   B 1 90  ? 2.72894  7.40980   -1.52451  1.000 40.94650 ? 132 LYS   B CE  1 
ATOM   1550 N NZ  . LYS   B 1 90  ? 3.29442  8.53950   -0.70014  1.000 32.36028 ? 132 LYS   B NZ  1 
ATOM   1551 N N   . PRO   B 1 91  ? 5.50327  2.84258   1.25762   1.000 24.64908 ? 133 PRO   B N   1 
ATOM   1552 C CA  . PRO   B 1 91  ? 6.97836  2.82078   1.19503   1.000 21.97957 ? 133 PRO   B CA  1 
ATOM   1553 C C   . PRO   B 1 91  ? 7.50500  2.09777   -0.03364  1.000 18.35723 ? 133 PRO   B C   1 
ATOM   1554 O O   . PRO   B 1 91  ? 8.49467  2.53427   -0.63120  1.000 14.85156 ? 133 PRO   B O   1 
ATOM   1555 C CB  . PRO   B 1 91  ? 7.38760  2.10386   2.49379   1.000 10.86734 ? 133 PRO   B CB  1 
ATOM   1556 C CG  . PRO   B 1 91  ? 6.20028  2.13792   3.34237   1.000 17.63802 ? 133 PRO   B CG  1 
ATOM   1557 C CD  . PRO   B 1 91  ? 5.01336  2.11543   2.43653   1.000 18.24660 ? 133 PRO   B CD  1 
ATOM   1558 N N   . PHE   B 1 92  ? 6.86067  0.99849   -0.43007  1.000 18.79221 ? 134 PHE   B N   1 
ATOM   1559 C CA  . PHE   B 1 92  ? 7.30236  0.27190   -1.61328  1.000 17.88422 ? 134 PHE   B CA  1 
ATOM   1560 C C   . PHE   B 1 92  ? 7.09107  1.10057   -2.87429  1.000 17.11410 ? 134 PHE   B C   1 
ATOM   1561 O O   . PHE   B 1 92  ? 7.91831  1.08265   -3.79261  1.000 15.96745 ? 134 PHE   B O   1 
ATOM   1562 C CB  . PHE   B 1 92  ? 6.56225  -1.06888  -1.71733  1.000 14.96324 ? 134 PHE   B CB  1 
ATOM   1563 C CG  . PHE   B 1 92  ? 7.17844  -2.00863  -2.70978  1.000 17.43512 ? 134 PHE   B CG  1 
ATOM   1564 C CD1 . PHE   B 1 92  ? 6.85480  -1.92442  -4.06313  1.000 12.73880 ? 134 PHE   B CD1 1 
ATOM   1565 C CD2 . PHE   B 1 92  ? 8.11202  -2.95079  -2.30025  1.000 16.73941 ? 134 PHE   B CD2 1 
ATOM   1566 C CE1 . PHE   B 1 92  ? 7.44546  -2.76757  -4.99252  1.000 12.76551 ? 134 PHE   B CE1 1 
ATOM   1567 C CE2 . PHE   B 1 92  ? 8.70652  -3.81444  -3.22515  1.000 19.88816 ? 134 PHE   B CE2 1 
ATOM   1568 C CZ  . PHE   B 1 92  ? 8.37786  -3.71779  -4.57555  1.000 17.35833 ? 134 PHE   B CZ  1 
ATOM   1569 N N   . GLU   B 1 93  ? 5.97833  1.81987   -2.94020  1.000 18.05213 ? 135 GLU   B N   1 
ATOM   1570 C CA  . GLU   B 1 93  ? 5.71138  2.64789   -4.09816  1.000 18.07774 ? 135 GLU   B CA  1 
ATOM   1571 C C   . GLU   B 1 93  ? 6.69164  3.81311   -4.16706  1.000 18.93466 ? 135 GLU   B C   1 
ATOM   1572 O O   . GLU   B 1 93  ? 7.24555  4.10773   -5.23258  1.000 21.71285 ? 135 GLU   B O   1 
ATOM   1573 C CB  . GLU   B 1 93  ? 4.26337  3.13205   -4.05274  1.000 24.67868 ? 135 GLU   B CB  1 
ATOM   1574 C CG  . GLU   B 1 93  ? 3.96296  4.24497   -5.03987  1.000 25.18302 ? 135 GLU   B CG  1 
ATOM   1575 C CD  . GLU   B 1 93  ? 2.65554  4.92130   -4.75477  1.000 22.55617 ? 135 GLU   B CD  1 
ATOM   1576 O OE1 . GLU   B 1 93  ? 1.63073  4.20806   -4.61874  1.000 22.64167 ? 135 GLU   B OE1 1 
ATOM   1577 O OE2 . GLU   B 1 93  ? 2.66948  6.16380   -4.64166  1.000 22.97276 ? 135 GLU   B OE2 1 
ATOM   1578 N N   . ASP   B 1 94  ? 6.92892  4.47987   -3.03557  1.000 17.90746 ? 136 ASP   B N   1 
ATOM   1579 C CA  . ASP   B 1 94  ? 7.92210  5.54770   -2.99433  1.000 15.74313 ? 136 ASP   B CA  1 
ATOM   1580 C C   . ASP   B 1 94  ? 9.26111  5.07175   -3.54076  1.000 17.72616 ? 136 ASP   B C   1 
ATOM   1581 O O   . ASP   B 1 94  ? 9.85177  5.70348   -4.42527  1.000 21.96892 ? 136 ASP   B O   1 
ATOM   1582 C CB  . ASP   B 1 94  ? 8.09036  6.05296   -1.56296  1.000 18.39929 ? 136 ASP   B CB  1 
ATOM   1583 C CG  . ASP   B 1 94  ? 6.98048  6.98325   -1.13882  1.000 27.12111 ? 136 ASP   B CG  1 
ATOM   1584 O OD1 . ASP   B 1 94  ? 6.23437  7.45959   -2.01849  1.000 30.40947 ? 136 ASP   B OD1 1 
ATOM   1585 O OD2 . ASP   B 1 94  ? 6.85039  7.22801   0.07820   1.000 30.14708 ? 136 ASP   B OD2 1 
ATOM   1586 N N   . ALA   B 1 95  ? 9.74725  3.94203   -3.02909  1.000 19.52350 ? 137 ALA   B N   1 
ATOM   1587 C CA  . ALA   B 1 95  ? 11.06761 3.45496   -3.40582  1.000 14.29419 ? 137 ALA   B CA  1 
ATOM   1588 C C   . ALA   B 1 95  ? 11.11949 3.05774   -4.87448  1.000 17.68202 ? 137 ALA   B C   1 
ATOM   1589 O O   . ALA   B 1 95  ? 12.12704 3.29139   -5.55298  1.000 20.51640 ? 137 ALA   B O   1 
ATOM   1590 C CB  . ALA   B 1 95  ? 11.44002 2.27658   -2.52498  1.000 12.39185 ? 137 ALA   B CB  1 
ATOM   1591 N N   . SER   B 1 96  ? 10.03993 2.46155   -5.37951  1.000 18.48988 ? 138 SER   B N   1 
ATOM   1592 C CA  . SER   B 1 96  ? 9.99963  2.01140   -6.76591  1.000 16.81945 ? 138 SER   B CA  1 
ATOM   1593 C C   . SER   B 1 96  ? 10.02076 3.18626   -7.73173  1.000 17.73147 ? 138 SER   B C   1 
ATOM   1594 O O   . SER   B 1 96  ? 10.79933 3.19896   -8.69445  1.000 13.60621 ? 138 SER   B O   1 
ATOM   1595 C CB  . SER   B 1 96  ? 8.75505  1.15516   -6.98912  1.000 12.43112 ? 138 SER   B CB  1 
ATOM   1596 O OG  . SER   B 1 96  ? 8.85625  -0.01701  -6.21920  1.000 11.43769 ? 138 SER   B OG  1 
ATOM   1597 N N   . PHE   B 1 97  ? 9.15901  4.17905   -7.49938  1.000 19.53164 ? 139 PHE   B N   1 
ATOM   1598 C CA  . PHE   B 1 97  ? 9.11379  5.32728   -8.39252  1.000 21.56080 ? 139 PHE   B CA  1 
ATOM   1599 C C   . PHE   B 1 97  ? 10.32577 6.23950   -8.22827  1.000 19.97596 ? 139 PHE   B C   1 
ATOM   1600 O O   . PHE   B 1 97  ? 10.62158 7.01106   -9.14756  1.000 23.36345 ? 139 PHE   B O   1 
ATOM   1601 C CB  . PHE   B 1 97  ? 7.81068  6.10734   -8.18930  1.000 13.44370 ? 139 PHE   B CB  1 
ATOM   1602 C CG  . PHE   B 1 97  ? 6.59825  5.41133   -8.74793  1.000 20.82604 ? 139 PHE   B CG  1 
ATOM   1603 C CD1 . PHE   B 1 97  ? 6.01208  4.35327   -8.06675  1.000 22.96242 ? 139 PHE   B CD1 1 
ATOM   1604 C CD2 . PHE   B 1 97  ? 6.04285  5.80793   -9.96170  1.000 21.22556 ? 139 PHE   B CD2 1 
ATOM   1605 C CE1 . PHE   B 1 97  ? 4.88313  3.70586   -8.58238  1.000 25.50876 ? 139 PHE   B CE1 1 
ATOM   1606 C CE2 . PHE   B 1 97  ? 4.92395  5.17139   -10.47796 1.000 23.71250 ? 139 PHE   B CE2 1 
ATOM   1607 C CZ  . PHE   B 1 97  ? 4.34476  4.11569   -9.78986  1.000 25.09079 ? 139 PHE   B CZ  1 
ATOM   1608 N N   . ALA   B 1 98  ? 11.05390 6.15430   -7.11127  1.000 12.29411 ? 140 ALA   B N   1 
ATOM   1609 C CA  . ALA   B 1 98  ? 12.23954 6.99373   -6.95282  1.000 16.27864 ? 140 ALA   B CA  1 
ATOM   1610 C C   . ALA   B 1 98  ? 13.44592 6.48365   -7.73023  1.000 23.39498 ? 140 ALA   B C   1 
ATOM   1611 O O   . ALA   B 1 98  ? 14.47451 7.17238   -7.75856  1.000 22.64773 ? 140 ALA   B O   1 
ATOM   1612 C CB  . ALA   B 1 98  ? 12.61630 7.13284   -5.47898  1.000 13.43211 ? 140 ALA   B CB  1 
ATOM   1613 N N   . LEU   B 1 99  ? 13.34609 5.31508   -8.36446  1.000 19.85029 ? 141 LEU   B N   1 
ATOM   1614 C CA  . LEU   B 1 99  ? 14.46617 4.71455   -9.07507  1.000 17.79419 ? 141 LEU   B CA  1 
ATOM   1615 C C   . LEU   B 1 99  ? 14.44214 5.08867   -10.55284 1.000 17.77832 ? 141 LEU   B C   1 
ATOM   1616 O O   . LEU   B 1 99  ? 13.38464 5.31165   -11.15149 1.000 17.68723 ? 141 LEU   B O   1 
ATOM   1617 C CB  . LEU   B 1 99  ? 14.45768 3.18127   -8.93954  1.000 14.24524 ? 141 LEU   B CB  1 
ATOM   1618 C CG  . LEU   B 1 99  ? 14.73120 2.52413   -7.57451  1.000 16.46732 ? 141 LEU   B CG  1 
ATOM   1619 C CD1 . LEU   B 1 99  ? 14.27208 1.07030   -7.53367  1.000 11.74728 ? 141 LEU   B CD1 1 
ATOM   1620 C CD2 . LEU   B 1 99  ? 16.20270 2.60459   -7.17938  1.000 14.98897 ? 141 LEU   B CD2 1 
ATOM   1621 N N   . ARG   B 1 100 ? 15.63200 5.16455   -11.13289 1.000 15.52895 ? 142 ARG   B N   1 
ATOM   1622 C CA  . ARG   B 1 100 ? 15.76229 5.16645   -12.57529 1.000 17.07914 ? 142 ARG   B CA  1 
ATOM   1623 C C   . ARG   B 1 100 ? 15.61024 3.74386   -13.09242 1.000 16.91720 ? 142 ARG   B C   1 
ATOM   1624 O O   . ARG   B 1 100 ? 15.82666 2.77160   -12.36432 1.000 22.00937 ? 142 ARG   B O   1 
ATOM   1625 C CB  . ARG   B 1 100 ? 17.10741 5.75823   -12.98716 1.000 15.14661 ? 142 ARG   B CB  1 
ATOM   1626 C CG  . ARG   B 1 100 ? 17.11963 7.26482   -12.88060 1.000 14.99886 ? 142 ARG   B CG  1 
ATOM   1627 C CD  . ARG   B 1 100 ? 18.51191 7.85482   -12.74102 1.000 16.76121 ? 142 ARG   B CD  1 
ATOM   1628 N NE  . ARG   B 1 100 ? 18.43445 9.22530   -12.24385 1.000 15.67313 ? 142 ARG   B NE  1 
ATOM   1629 C CZ  . ARG   B 1 100 ? 17.99515 10.26565  -12.94404 1.000 19.93622 ? 142 ARG   B CZ  1 
ATOM   1630 N NH1 . ARG   B 1 100 ? 17.61518 10.14337  -14.20884 1.000 19.66106 ? 142 ARG   B NH1 1 
ATOM   1631 N NH2 . ARG   B 1 100 ? 17.92007 11.45839  -12.35671 1.000 17.56185 ? 142 ARG   B NH2 1 
ATOM   1632 N N   . THR   B 1 101 ? 15.20287 3.61684   -14.35105 1.000 18.58600 ? 143 THR   B N   1 
ATOM   1633 C CA  . THR   B 1 101 ? 15.02482 2.27675   -14.91059 1.000 18.46152 ? 143 THR   B CA  1 
ATOM   1634 C C   . THR   B 1 101 ? 16.33794 1.51059   -14.85717 1.000 13.35546 ? 143 THR   B C   1 
ATOM   1635 O O   . THR   B 1 101 ? 17.36143 1.97769   -15.36080 1.000 11.97925 ? 143 THR   B O   1 
ATOM   1636 C CB  . THR   B 1 101 ? 14.51185 2.32833   -16.34796 1.000 12.23017 ? 143 THR   B CB  1 
ATOM   1637 O OG1 . THR   B 1 101 ? 13.43837 3.27296   -16.45228 1.000 20.90765 ? 143 THR   B OG1 1 
ATOM   1638 C CG2 . THR   B 1 101 ? 14.00319 0.96536   -16.74452 1.000 13.23935 ? 143 THR   B CG2 1 
ATOM   1639 N N   . GLY   B 1 102 ? 16.30815 0.33669   -14.23645 1.000 14.92615 ? 144 GLY   B N   1 
ATOM   1640 C CA  . GLY   B 1 102 ? 17.49252 -0.47477  -14.10543 1.000 10.17653 ? 144 GLY   B CA  1 
ATOM   1641 C C   . GLY   B 1 102 ? 18.26569 -0.25840  -12.83247 1.000 10.42242 ? 144 GLY   B C   1 
ATOM   1642 O O   . GLY   B 1 102 ? 19.23109 -0.98609  -12.59054 1.000 19.79656 ? 144 GLY   B O   1 
ATOM   1643 N N   . GLU   B 1 103 ? 17.87072 0.71347   -12.01419 1.000 11.90976 ? 145 GLU   B N   1 
ATOM   1644 C CA  . GLU   B 1 103 ? 18.44851 0.91483   -10.69810 1.000 12.13577 ? 145 GLU   B CA  1 
ATOM   1645 C C   . GLU   B 1 103 ? 17.96429 -0.13860  -9.69492  1.000 14.27949 ? 145 GLU   B C   1 
ATOM   1646 O O   . GLU   B 1 103 ? 16.85264 -0.67250  -9.78033  1.000 10.68054 ? 145 GLU   B O   1 
ATOM   1647 C CB  . GLU   B 1 103 ? 18.11285 2.31924   -10.19185 1.000 15.70013 ? 145 GLU   B CB  1 
ATOM   1648 C CG  . GLU   B 1 103 ? 19.32311 3.13036   -9.75770  1.000 27.60364 ? 145 GLU   B CG  1 
ATOM   1649 C CD  . GLU   B 1 103 ? 19.07995 4.64048   -9.79918  1.000 37.52598 ? 145 GLU   B CD  1 
ATOM   1650 O OE1 . GLU   B 1 103 ? 18.03291 5.11290   -9.28936  1.000 26.78370 ? 145 GLU   B OE1 1 
ATOM   1651 O OE2 . GLU   B 1 103 ? 19.94440 5.35637   -10.36279 1.000 41.83952 ? 145 GLU   B OE2 1 
ATOM   1652 N N   . MET   B 1 104 ? 18.82958 -0.44465  -8.73958  1.000 18.15633 ? 146 MET   B N   1 
ATOM   1653 C CA  . MET   B 1 104 ? 18.51317 -1.34651  -7.64588  1.000 14.08163 ? 146 MET   B CA  1 
ATOM   1654 C C   . MET   B 1 104 ? 18.55052 -0.56579  -6.34528  1.000 15.31987 ? 146 MET   B C   1 
ATOM   1655 O O   . MET   B 1 104 ? 19.56980 0.05697   -6.02452  1.000 18.92086 ? 146 MET   B O   1 
ATOM   1656 C CB  . MET   B 1 104 ? 19.49390 -2.50762  -7.58085  1.000 12.30676 ? 146 MET   B CB  1 
ATOM   1657 C CG  . MET   B 1 104 ? 19.28454 -3.38199  -6.36216  1.000 17.46645 ? 146 MET   B CG  1 
ATOM   1658 S SD  . MET   B 1 104 ? 20.34318 -4.82741  -6.40892  1.000 22.12192 ? 146 MET   B SD  1 
ATOM   1659 C CE  . MET   B 1 104 ? 21.86621 -4.17771  -5.72384  1.000 11.27448 ? 146 MET   B CE  1 
ATOM   1660 N N   . SER   B 1 105 ? 17.44296 -0.60462  -5.60586  1.000 13.28913 ? 147 SER   B N   1 
ATOM   1661 C CA  . SER   B 1 105 ? 17.32137 0.10683   -4.34349  1.000 11.86334 ? 147 SER   B CA  1 
ATOM   1662 C C   . SER   B 1 105 ? 18.24882 -0.48879  -3.28756  1.000 9.76318  ? 147 SER   B C   1 
ATOM   1663 O O   . SER   B 1 105 ? 18.91359 -1.50954  -3.48776  1.000 11.90102 ? 147 SER   B O   1 
ATOM   1664 C CB  . SER   B 1 105 ? 15.87918 0.05449   -3.82967  1.000 16.32491 ? 147 SER   B CB  1 
ATOM   1665 O OG  . SER   B 1 105 ? 15.63698 -1.14149  -3.08942  1.000 16.54394 ? 147 SER   B OG  1 
ATOM   1666 N N   . GLY   B 1 106 ? 18.29407 0.18223   -2.14882  1.000 12.65566 ? 148 GLY   B N   1 
ATOM   1667 C CA  . GLY   B 1 106 ? 18.82195 -0.40445  -0.94456  1.000 14.62238 ? 148 GLY   B CA  1 
ATOM   1668 C C   . GLY   B 1 106 ? 17.68541 -1.02186  -0.15664  1.000 14.92066 ? 148 GLY   B C   1 
ATOM   1669 O O   . GLY   B 1 106 ? 16.58875 -1.22834  -0.68759  1.000 14.37906 ? 148 GLY   B O   1 
ATOM   1670 N N   . PRO   B 1 107 ? 17.92854 -1.35713  1.12012   1.000 19.39166 ? 149 PRO   B N   1 
ATOM   1671 C CA  . PRO   B 1 107 ? 16.83217 -1.84432  1.97006   1.000 15.98582 ? 149 PRO   B CA  1 
ATOM   1672 C C   . PRO   B 1 107 ? 15.60965 -0.93692  1.93985   1.000 13.37331 ? 149 PRO   B C   1 
ATOM   1673 O O   . PRO   B 1 107 ? 15.69393 0.26009   2.21972   1.000 12.01458 ? 149 PRO   B O   1 
ATOM   1674 C CB  . PRO   B 1 107 ? 17.47546 -1.89887  3.36368   1.000 12.66470 ? 149 PRO   B CB  1 
ATOM   1675 C CG  . PRO   B 1 107 ? 18.90955 -2.25254  3.06748   1.000 11.25909 ? 149 PRO   B CG  1 
ATOM   1676 C CD  . PRO   B 1 107 ? 19.24515 -1.53356  1.76711   1.000 14.01789 ? 149 PRO   B CD  1 
ATOM   1677 N N   . VAL   B 1 108 ? 14.46966 -1.51194  1.57251   1.000 11.89516 ? 150 VAL   B N   1 
ATOM   1678 C CA  . VAL   B 1 108 ? 13.17708 -0.84693  1.62496   1.000 11.44447 ? 150 VAL   B CA  1 
ATOM   1679 C C   . VAL   B 1 108 ? 12.36351 -1.52372  2.72248   1.000 15.58764 ? 150 VAL   B C   1 
ATOM   1680 O O   . VAL   B 1 108 ? 12.06170 -2.72006  2.63493   1.000 21.58237 ? 150 VAL   B O   1 
ATOM   1681 C CB  . VAL   B 1 108 ? 12.47235 -0.91461  0.26319   1.000 13.74998 ? 150 VAL   B CB  1 
ATOM   1682 C CG1 . VAL   B 1 108 ? 11.00163 -0.54281  0.37209   1.000 13.42749 ? 150 VAL   B CG1 1 
ATOM   1683 C CG2 . VAL   B 1 108 ? 13.18915 -0.01983  -0.70872  1.000 13.78373 ? 150 VAL   B CG2 1 
ATOM   1684 N N   . PHE   B 1 109 ? 12.03334 -0.77881  3.76930   1.000 15.91586 ? 151 PHE   B N   1 
ATOM   1685 C CA  . PHE   B 1 109 ? 11.31185 -1.33965  4.90363   1.000 17.11473 ? 151 PHE   B CA  1 
ATOM   1686 C C   . PHE   B 1 109 ? 9.81519  -1.17668  4.69318   1.000 18.90152 ? 151 PHE   B C   1 
ATOM   1687 O O   . PHE   B 1 109 ? 9.34110  -0.07480  4.40251   1.000 21.71380 ? 151 PHE   B O   1 
ATOM   1688 C CB  . PHE   B 1 109 ? 11.73765 -0.66167  6.20465   1.000 14.02719 ? 151 PHE   B CB  1 
ATOM   1689 C CG  . PHE   B 1 109 ? 13.19443 -0.83589  6.52407   1.000 19.47508 ? 151 PHE   B CG  1 
ATOM   1690 C CD1 . PHE   B 1 109 ? 14.14009 0.05835   6.03166   1.000 14.76989 ? 151 PHE   B CD1 1 
ATOM   1691 C CD2 . PHE   B 1 109 ? 13.62224 -1.90246  7.30598   1.000 16.87034 ? 151 PHE   B CD2 1 
ATOM   1692 C CE1 . PHE   B 1 109 ? 15.48190 -0.10784  6.31732   1.000 13.22012 ? 151 PHE   B CE1 1 
ATOM   1693 C CE2 . PHE   B 1 109 ? 14.96129 -2.07917  7.59162   1.000 15.30119 ? 151 PHE   B CE2 1 
ATOM   1694 C CZ  . PHE   B 1 109 ? 15.89551 -1.18335  7.09223   1.000 16.37126 ? 151 PHE   B CZ  1 
ATOM   1695 N N   . THR   B 1 110 ? 9.07306  -2.27168  4.83301   1.000 19.19913 ? 152 THR   B N   1 
ATOM   1696 C CA  . THR   B 1 110 ? 7.61762  -2.20938  4.77189   1.000 17.78024 ? 152 THR   B CA  1 
ATOM   1697 C C   . THR   B 1 110 ? 7.03625  -3.09873  5.86163   1.000 21.55536 ? 152 THR   B C   1 
ATOM   1698 O O   . THR   B 1 110 ? 7.74512  -3.60422  6.73694   1.000 19.18094 ? 152 THR   B O   1 
ATOM   1699 C CB  . THR   B 1 110 ? 7.05924  -2.65133  3.41334   1.000 15.50009 ? 152 THR   B CB  1 
ATOM   1700 O OG1 . THR   B 1 110 ? 7.30648  -4.05337  3.23784   1.000 18.80225 ? 152 THR   B OG1 1 
ATOM   1701 C CG2 . THR   B 1 110 ? 7.67580  -1.85876  2.25908   1.000 18.13810 ? 152 THR   B CG2 1 
ATOM   1702 N N   . ASP   B 1 111 ? 5.72253  -3.29342  5.76107   1.000 22.51750 ? 153 ASP   B N   1 
ATOM   1703 C CA  . ASP   B 1 111 ? 4.93553  -4.08542  6.69232   1.000 22.27314 ? 153 ASP   B CA  1 
ATOM   1704 C C   . ASP   B 1 111 ? 5.05470  -5.57973  6.39628   1.000 22.68022 ? 153 ASP   B C   1 
ATOM   1705 O O   . ASP   B 1 111 ? 4.89341  -6.40693  7.30130   1.000 19.73536 ? 153 ASP   B O   1 
ATOM   1706 C CB  . ASP   B 1 111 ? 3.48787  -3.58307  6.60650   1.000 35.27174 ? 153 ASP   B CB  1 
ATOM   1707 C CG  . ASP   B 1 111 ? 2.50276  -4.39086  7.43664   1.000 42.65493 ? 153 ASP   B CG  1 
ATOM   1708 O OD1 . ASP   B 1 111 ? 2.66486  -4.43816  8.68942   1.000 30.79172 ? 153 ASP   B OD1 1 
ATOM   1709 O OD2 . ASP   B 1 111 ? 1.54485  -4.93749  6.80876   1.000 28.62752 ? 153 ASP   B OD2 1 
ATOM   1710 N N   . SER   B 1 112 ? 5.34928  -5.93083  5.14162   1.000 27.12708 ? 154 SER   B N   1 
ATOM   1711 C CA  . SER   B 1 112 ? 5.60841  -7.30737  4.73621   1.000 20.80041 ? 154 SER   B CA  1 
ATOM   1712 C C   . SER   B 1 112 ? 7.04023  -7.75001  5.04896   1.000 22.25949 ? 154 SER   B C   1 
ATOM   1713 O O   . SER   B 1 112 ? 7.29960  -8.95601  5.15417   1.000 19.38117 ? 154 SER   B O   1 
ATOM   1714 C CB  . SER   B 1 112 ? 5.33936  -7.46029  3.23529   1.000 24.75691 ? 154 SER   B CB  1 
ATOM   1715 O OG  . SER   B 1 112 ? 4.03553  -7.01899  2.89504   1.000 40.74208 ? 154 SER   B OG  1 
ATOM   1716 N N   . GLY   B 1 113 ? 7.97685  -6.81226  5.18040   1.000 18.02603 ? 155 GLY   B N   1 
ATOM   1717 C CA  . GLY   B 1 113 ? 9.35286  -7.14344  5.49734   1.000 13.96467 ? 155 GLY   B CA  1 
ATOM   1718 C C   . GLY   B 1 113 ? 10.30727 -6.14028  4.87151   1.000 19.28713 ? 155 GLY   B C   1 
ATOM   1719 O O   . GLY   B 1 113 ? 9.93647  -4.99802  4.60030   1.000 18.42623 ? 155 GLY   B O   1 
ATOM   1720 N N   . ILE   B 1 114 ? 11.54528 -6.59945  4.65409   1.000 14.99351 ? 156 ILE   B N   1 
ATOM   1721 C CA  . ILE   B 1 114 ? 12.59789 -5.79829  4.04064   1.000 11.38182 ? 156 ILE   B CA  1 
ATOM   1722 C C   . ILE   B 1 114 ? 12.79465 -6.23374  2.59151   1.000 15.27491 ? 156 ILE   B C   1 
ATOM   1723 O O   . ILE   B 1 114 ? 12.99977 -7.42316  2.30650   1.000 10.38743 ? 156 ILE   B O   1 
ATOM   1724 C CB  . ILE   B 1 114 ? 13.90450 -5.90642  4.83710   1.000 16.40309 ? 156 ILE   B CB  1 
ATOM   1725 C CG1 . ILE   B 1 114 ? 13.64343 -5.40672  6.26335   1.000 17.77923 ? 156 ILE   B CG1 1 
ATOM   1726 C CG2 . ILE   B 1 114 ? 15.02459 -5.10545  4.13638   1.000 12.86080 ? 156 ILE   B CG2 1 
ATOM   1727 C CD1 . ILE   B 1 114 ? 14.70818 -5.73822  7.24684   1.000 15.62996 ? 156 ILE   B CD1 1 
ATOM   1728 N N   . HIS   B 1 115 ? 12.73846 -5.26384  1.67841   1.000 13.47720 ? 157 HIS   B N   1 
ATOM   1729 C CA  . HIS   B 1 115 ? 12.82663 -5.49650  0.24707   1.000 12.45739 ? 157 HIS   B CA  1 
ATOM   1730 C C   . HIS   B 1 115 ? 14.12241 -4.95489  -0.32864  1.000 12.36153 ? 157 HIS   B C   1 
ATOM   1731 O O   . HIS   B 1 115 ? 14.65050 -3.93871  0.12990   1.000 15.05733 ? 157 HIS   B O   1 
ATOM   1732 C CB  . HIS   B 1 115 ? 11.69556 -4.80386  -0.50343  1.000 13.52001 ? 157 HIS   B CB  1 
ATOM   1733 C CG  . HIS   B 1 115 ? 10.33177 -5.14899  -0.01767  1.000 13.29790 ? 157 HIS   B CG  1 
ATOM   1734 N ND1 . HIS   B 1 115 ? 9.49692  -6.00407  -0.70542  1.000 13.01755 ? 157 HIS   B ND1 1 
ATOM   1735 C CD2 . HIS   B 1 115 ? 9.63296  -4.71443  1.05336   1.000 12.87945 ? 157 HIS   B CD2 1 
ATOM   1736 C CE1 . HIS   B 1 115 ? 8.34853  -6.10080  -0.06349  1.000 16.01148 ? 157 HIS   B CE1 1 
ATOM   1737 N NE2 . HIS   B 1 115 ? 8.40535  -5.32943  1.00812   1.000 17.83053 ? 157 HIS   B NE2 1 
ATOM   1738 N N   . ILE   B 1 116 ? 14.60426 -5.62100  -1.36963  1.000 10.75926 ? 158 ILE   B N   1 
ATOM   1739 C CA  . ILE   B 1 116 ? 15.45668 -5.00021  -2.37325  1.000 17.12702 ? 158 ILE   B CA  1 
ATOM   1740 C C   . ILE   B 1 116 ? 14.60340 -4.86088  -3.61960  1.000 13.22834 ? 158 ILE   B C   1 
ATOM   1741 O O   . ILE   B 1 116 ? 13.90519 -5.80785  -3.99695  1.000 14.08469 ? 158 ILE   B O   1 
ATOM   1742 C CB  . ILE   B 1 116 ? 16.71966 -5.82650  -2.66827  1.000 19.71471 ? 158 ILE   B CB  1 
ATOM   1743 C CG1 . ILE   B 1 116 ? 17.65261 -5.87134  -1.46354  1.000 20.22060 ? 158 ILE   B CG1 1 
ATOM   1744 C CG2 . ILE   B 1 116 ? 17.47327 -5.22053  -3.81471  1.000 20.64936 ? 158 ILE   B CG2 1 
ATOM   1745 C CD1 . ILE   B 1 116 ? 18.41626 -7.18797  -1.37786  1.000 25.41730 ? 158 ILE   B CD1 1 
ATOM   1746 N N   . ILE   B 1 117 ? 14.62298 -3.68688  -4.24385  1.000 15.27126 ? 159 ILE   B N   1 
ATOM   1747 C CA  . ILE   B 1 117 ? 13.78429 -3.44450  -5.41754  1.000 18.62296 ? 159 ILE   B CA  1 
ATOM   1748 C C   . ILE   B 1 117 ? 14.66499 -3.20752  -6.63852  1.000 17.40968 ? 159 ILE   B C   1 
ATOM   1749 O O   . ILE   B 1 117 ? 15.69291 -2.52378  -6.55966  1.000 14.94926 ? 159 ILE   B O   1 
ATOM   1750 C CB  . ILE   B 1 117 ? 12.80732 -2.27261  -5.20171  1.000 10.67803 ? 159 ILE   B CB  1 
ATOM   1751 C CG1 . ILE   B 1 117 ? 11.93306 -2.54867  -3.98084  1.000 9.95324  ? 159 ILE   B CG1 1 
ATOM   1752 C CG2 . ILE   B 1 117 ? 11.93218 -2.08434  -6.42057  1.000 11.83251 ? 159 ILE   B CG2 1 
ATOM   1753 C CD1 . ILE   B 1 117 ? 11.07202 -1.39171  -3.58442  1.000 13.41324 ? 159 ILE   B CD1 1 
ATOM   1754 N N   . LEU   B 1 118 ? 14.27662 -3.81061  -7.76022  1.000 15.10971 ? 160 LEU   B N   1 
ATOM   1755 C CA  . LEU   B 1 118 ? 14.91158 -3.55520  -9.04649  1.000 19.61056 ? 160 LEU   B CA  1 
ATOM   1756 C C   . LEU   B 1 118 ? 13.82943 -3.10785  -10.02668 1.000 16.49219 ? 160 LEU   B C   1 
ATOM   1757 O O   . LEU   B 1 118 ? 12.88068 -3.85380  -10.29721 1.000 13.49262 ? 160 LEU   B O   1 
ATOM   1758 C CB  . LEU   B 1 118 ? 15.66933 -4.79851  -9.54389  1.000 12.24300 ? 160 LEU   B CB  1 
ATOM   1759 C CG  . LEU   B 1 118 ? 16.16817 -4.82858  -10.99697 1.000 11.12209 ? 160 LEU   B CG  1 
ATOM   1760 C CD1 . LEU   B 1 118 ? 17.33736 -3.87863  -11.26628 1.000 11.94142 ? 160 LEU   B CD1 1 
ATOM   1761 C CD2 . LEU   B 1 118 ? 16.53328 -6.23310  -11.37627 1.000 15.35690 ? 160 LEU   B CD2 1 
ATOM   1762 N N   . ARG   B 1 119 ? 13.95122 -1.88248  -10.53031 1.000 11.91321 ? 161 ARG   B N   1 
ATOM   1763 C CA  . ARG   B 1 119 ? 13.01403 -1.39622  -11.53465 1.000 14.80190 ? 161 ARG   B CA  1 
ATOM   1764 C C   . ARG   B 1 119 ? 13.42272 -1.87886  -12.92327 1.000 15.45293 ? 161 ARG   B C   1 
ATOM   1765 O O   . ARG   B 1 119 ? 14.55003 -1.63490  -13.37578 1.000 12.97589 ? 161 ARG   B O   1 
ATOM   1766 C CB  . ARG   B 1 119 ? 12.93662 0.13038   -11.51276 1.000 18.34265 ? 161 ARG   B CB  1 
ATOM   1767 C CG  . ARG   B 1 119 ? 12.23178 0.71629   -12.73379 1.000 13.04256 ? 161 ARG   B CG  1 
ATOM   1768 C CD  . ARG   B 1 119 ? 11.83764 2.16444   -12.51105 1.000 15.61996 ? 161 ARG   B CD  1 
ATOM   1769 N NE  . ARG   B 1 119 ? 11.11795 2.68595   -13.66866 1.000 24.72530 ? 161 ARG   B NE  1 
ATOM   1770 C CZ  . ARG   B 1 119 ? 11.19697 3.93507   -14.10749 1.000 19.71129 ? 161 ARG   B CZ  1 
ATOM   1771 N NH1 . ARG   B 1 119 ? 11.91087 4.85403   -13.46457 1.000 15.32321 ? 161 ARG   B NH1 1 
ATOM   1772 N NH2 . ARG   B 1 119 ? 10.56188 4.26420   -15.22837 1.000 20.64134 ? 161 ARG   B NH2 1 
ATOM   1773 N N   . THR   B 1 120 ? 12.49339 -2.53466  -13.61330 1.000 11.81887 ? 162 THR   B N   1 
ATOM   1774 C CA  . THR   B 1 120 ? 12.78580 -3.10719  -14.91902 1.000 13.60903 ? 162 THR   B CA  1 
ATOM   1775 C C   . THR   B 1 120 ? 12.20594 -2.31034  -16.09575 1.000 17.54890 ? 162 THR   B C   1 
ATOM   1776 O O   . THR   B 1 120 ? 12.76950 -2.35887  -17.19250 1.000 11.18053 ? 162 THR   B O   1 
ATOM   1777 C CB  . THR   B 1 120 ? 12.29138 -4.55359  -14.96348 1.000 13.10235 ? 162 THR   B CB  1 
ATOM   1778 O OG1 . THR   B 1 120 ? 10.98244 -4.62917  -14.39241 1.000 13.01246 ? 162 THR   B OG1 1 
ATOM   1779 C CG2 . THR   B 1 120 ? 13.23647 -5.44363  -14.15391 1.000 11.45740 ? 162 THR   B CG2 1 
ATOM   1780 N N   . GLU   B 1 121 ? 11.11805 -1.56730  -15.90530 1.000 16.37841 ? 163 GLU   B N   1 
ATOM   1781 C CA  . GLU   B 1 121 ? 10.62049 -0.65758  -16.93606 1.000 15.06291 ? 163 GLU   B CA  1 
ATOM   1782 C C   . GLU   B 1 121 ? 10.24515 0.69692   -16.32735 1.000 21.18295 ? 163 GLU   B C   1 
ATOM   1783 O O   . GLU   B 1 121 ? 10.09274 0.86372   -15.10973 1.000 16.86296 ? 163 GLU   B O   1 
ATOM   1784 C CB  . GLU   B 1 121 ? 9.41495  -1.25650  -17.67991 1.000 19.76330 ? 163 GLU   B CB  1 
ATOM   1785 C CG  . GLU   B 1 121 ? 9.66337  -2.62573  -18.31596 1.000 21.61164 ? 163 GLU   B CG  1 
ATOM   1786 C CD  . GLU   B 1 121 ? 8.40361  -3.28355  -18.89235 1.000 35.68851 ? 163 GLU   B CD  1 
ATOM   1787 O OE1 . GLU   B 1 121 ? 7.26743  -2.78583  -18.65910 1.000 25.78915 ? 163 GLU   B OE1 1 
ATOM   1788 O OE2 . GLU   B 1 121 ? 8.56215  -4.33303  -19.56093 1.000 36.49203 ? 163 GLU   B OE2 1 
ATOM   1789 O OXT . GLU   B 1 121 ? 10.09970 1.67803   -17.05857 1.000 26.96695 ? 163 GLU   B OXT 1 
HETATM 1790 N N3  . A1D9X C 2 .   ? 7.26476  1.18214   23.31007  1.000 23.47957 ? 201 A1D9X A N3  1 
HETATM 1791 C C4  . A1D9X C 2 .   ? 8.30354  1.46633   24.05771  1.000 25.57395 ? 201 A1D9X A C4  1 
HETATM 1792 C C5  . A1D9X C 2 .   ? 6.09425  1.33492   23.92898  1.000 33.67167 ? 201 A1D9X A C5  1 
HETATM 1793 C C6  . A1D9X C 2 .   ? 5.98084  1.75975   25.23291  1.000 37.81124 ? 201 A1D9X A C6  1 
HETATM 1794 C C7  . A1D9X C 2 .   ? 7.19613  2.02746   25.94836  1.000 35.94055 ? 201 A1D9X A C7  1 
HETATM 1795 C C8  . A1D9X C 2 .   ? 8.56110  3.14505   27.60480  1.000 38.72700 ? 201 A1D9X A C8  1 
HETATM 1796 C C10 . A1D9X C 2 .   ? 10.56475 3.44817   28.82927  1.000 38.07614 ? 201 A1D9X A C10 1 
HETATM 1797 C C13 . A1D9X C 2 .   ? 6.23262  1.00091   29.12309  1.000 40.73252 ? 201 A1D9X A C13 1 
HETATM 1798 C C15 . A1D9X C 2 .   ? 7.07095  -0.10137  28.47677  1.000 39.15431 ? 201 A1D9X A C15 1 
HETATM 1799 C C11 . A1D9X C 2 .   ? 9.29641  2.60446   28.84415  1.000 39.61683 ? 201 A1D9X A C11 1 
HETATM 1800 C C12 . A1D9X C 2 .   ? 6.32998  2.34080   28.35712  1.000 34.82706 ? 201 A1D9X A C12 1 
HETATM 1801 C C14 . A1D9X C 2 .   ? 6.66402  1.16356   30.58085  1.000 28.52872 ? 201 A1D9X A C14 1 
HETATM 1802 C C16 . A1D9X C 2 .   ? 4.75996  0.59772   29.09156  1.000 42.34990 ? 201 A1D9X A C16 1 
HETATM 1803 C C9  . A1D9X C 2 .   ? 8.36739  4.63166   27.93778  1.000 37.39787 ? 201 A1D9X A C9  1 
HETATM 1804 N N2  . A1D9X C 2 .   ? 8.36321  1.86981   25.30641  1.000 27.96103 ? 201 A1D9X A N2  1 
HETATM 1805 N N4  . A1D9X C 2 .   ? 7.30756  2.45930   27.25673  1.000 34.73932 ? 201 A1D9X A N4  1 
HETATM 1806 N N5  . A1D9X C 2 .   ? 4.64762  1.91028   25.80251  1.000 39.26899 ? 201 A1D9X A N5  1 
HETATM 1807 O O2  . A1D9X C 2 .   ? 9.84897  5.80424   29.80338  1.000 37.22511 ? 201 A1D9X A O2  1 
HETATM 1808 O O3  . A1D9X C 2 .   ? 10.74174 5.72349   27.51177  1.000 41.87067 ? 201 A1D9X A O3  1 
HETATM 1809 O O4  . A1D9X C 2 .   ? 4.33433  2.99609   26.27499  1.000 30.49183 ? 201 A1D9X A O4  1 
HETATM 1810 O O5  . A1D9X C 2 .   ? 3.88573  0.95582   25.72595  1.000 43.71734 ? 201 A1D9X A O5  1 
HETATM 1811 S S2  . A1D9X C 2 .   ? 9.97934  5.09519   28.55683  1.000 42.68076 ? 201 A1D9X A S2  1 
HETATM 1812 C C1  . CIT   D 3 .   ? 12.53100 -1.32726  27.78817  1.000 39.80318 ? 202 CIT   A C1  1 
HETATM 1813 O O1  . CIT   D 3 .   ? 13.75858 -1.36725  28.44242  1.000 29.71862 ? 202 CIT   A O1  1 
HETATM 1814 O O2  . CIT   D 3 .   ? 11.56567 -0.63668  28.51598  1.000 38.51231 ? 202 CIT   A O2  1 
HETATM 1815 C C2  . CIT   D 3 .   ? 12.10184 -2.76469  27.52666  1.000 30.48720 ? 202 CIT   A C2  1 
HETATM 1816 C C3  . CIT   D 3 .   ? 10.83020 -2.86381  26.67429  1.000 38.51825 ? 202 CIT   A C3  1 
HETATM 1817 O O7  . CIT   D 3 .   ? 9.81985  -3.18234  27.64401  1.000 39.68846 ? 202 CIT   A O7  1 
HETATM 1818 C C4  . CIT   D 3 .   ? 10.45432 -1.55157  25.96446  1.000 30.04548 ? 202 CIT   A C4  1 
HETATM 1819 C C5  . CIT   D 3 .   ? 9.10373  -1.50215  25.24948  1.000 29.79567 ? 202 CIT   A C5  1 
HETATM 1820 O O3  . CIT   D 3 .   ? 9.16303  -2.00638  23.95363  1.000 21.45940 ? 202 CIT   A O3  1 
HETATM 1821 O O4  . CIT   D 3 .   ? 8.06226  -2.05689  25.98688  1.000 35.50037 ? 202 CIT   A O4  1 
HETATM 1822 C C6  . CIT   D 3 .   ? 10.97261 -4.03509  25.68817  1.000 43.13620 ? 202 CIT   A C6  1 
HETATM 1823 O O5  . CIT   D 3 .   ? 11.56531 -5.12865  26.31222  1.000 43.24642 ? 202 CIT   A O5  1 
HETATM 1824 O O6  . CIT   D 3 .   ? 11.68295 -3.62579  24.56361  1.000 40.99847 ? 202 CIT   A O6  1 
HETATM 1825 N N3  . A1D9X E 2 .   ? 4.89978  -11.68722 -3.57039  1.000 35.15421 ? 200 A1D9X B N3  1 
HETATM 1826 C C4  . A1D9X E 2 .   ? 4.82754  -10.98719 -2.45954  1.000 36.06832 ? 200 A1D9X B C4  1 
HETATM 1827 C C5  . A1D9X E 2 .   ? 4.05647  -11.29801 -4.53098  1.000 36.76916 ? 200 A1D9X B C5  1 
HETATM 1828 C C6  . A1D9X E 2 .   ? 3.18487  -10.24552 -4.37596  1.000 36.59048 ? 200 A1D9X B C6  1 
HETATM 1829 C C7  . A1D9X E 2 .   ? 3.20007  -9.56875  -3.11532  1.000 40.29122 ? 200 A1D9X B C7  1 
HETATM 1830 C C8  . A1D9X E 2 .   ? 3.01241  -7.16252  -2.86385  1.000 40.95417 ? 200 A1D9X B C8  1 
HETATM 1831 C C10 . A1D9X E 2 .   ? 4.99131  -5.77720  -3.27432  1.000 32.11914 ? 200 A1D9X B C10 1 
HETATM 1832 C C13 . A1D9X E 2 .   ? -0.18363 -7.96077  -2.95204  1.000 57.42612 ? 200 A1D9X B C13 1 
HETATM 1833 C C15 . A1D9X E 2 .   ? -0.42123 -6.67683  -2.15615  1.000 49.43869 ? 200 A1D9X B C15 1 
HETATM 1834 C C11 . A1D9X E 2 .   ? 4.44896  -7.19755  -3.41792  1.000 36.16799 ? 200 A1D9X B C11 1 
HETATM 1835 C C12 . A1D9X E 2 .   ? 1.00636  -8.73486  -2.32845  1.000 43.48834 ? 200 A1D9X B C12 1 
HETATM 1836 C C14 . A1D9X E 2 .   ? 0.01517  -7.60419  -4.42585  1.000 47.62449 ? 200 A1D9X B C14 1 
HETATM 1837 C C16 . A1D9X E 2 .   ? -1.42850 -8.84305  -2.83131  1.000 54.46879 ? 200 A1D9X B C16 1 
HETATM 1838 C C9  . A1D9X E 2 .   ? 3.20950  -6.57432  -1.46332  1.000 41.63758 ? 200 A1D9X B C9  1 
HETATM 1839 N N2  . A1D9X E 2 .   ? 4.05141  -9.97050  -2.15928  1.000 34.28653 ? 200 A1D9X B N2  1 
HETATM 1840 N N4  . A1D9X E 2 .   ? 2.39961  -8.50633  -2.79822  1.000 45.58737 ? 200 A1D9X B N4  1 
HETATM 1841 N N5  . A1D9X E 2 .   ? 2.28885  -9.88362  -5.46826  1.000 42.77832 ? 200 A1D9X B N5  1 
HETATM 1842 O O2  . A1D9X E 2 .   ? 3.53639  -3.99082  -2.04120  1.000 42.76020 ? 200 A1D9X B O2  1 
HETATM 1843 O O3  . A1D9X E 2 .   ? 5.27720  -5.11362  -0.70441  1.000 38.14133 ? 200 A1D9X B O3  1 
HETATM 1844 O O4  . A1D9X E 2 .   ? 2.42068  -8.78461  -5.98596  1.000 49.90451 ? 200 A1D9X B O4  1 
HETATM 1845 O O5  . A1D9X E 2 .   ? 1.45403  -10.70252 -5.82346  1.000 41.28876 ? 200 A1D9X B O5  1 
HETATM 1846 S S2  . A1D9X E 2 .   ? 4.29490  -5.18319  -1.75624  1.000 54.23954 ? 200 A1D9X B S2  1 
HETATM 1847 O O   . HOH   F 4 .   ? 15.81093 -1.09915  27.94789  1.000 21.90077 ? 301 HOH   A O   1 
HETATM 1848 O O   . HOH   F 4 .   ? 13.23364 8.68817   6.29335   1.000 21.86813 ? 302 HOH   A O   1 
HETATM 1849 O O   . HOH   F 4 .   ? 22.09391 18.71178  15.67856  1.000 34.27524 ? 303 HOH   A O   1 
HETATM 1850 O O   . HOH   F 4 .   ? -1.48562 17.57155  25.56143  1.000 22.62545 ? 304 HOH   A O   1 
HETATM 1851 O O   . HOH   F 4 .   ? -0.10622 15.40853  34.46720  1.000 24.80912 ? 305 HOH   A O   1 
HETATM 1852 O O   . HOH   F 4 .   ? 9.54541  4.03484   19.13746  1.000 6.58581  ? 306 HOH   A O   1 
HETATM 1853 O O   . HOH   F 4 .   ? 2.71969  11.21997  18.78618  1.000 8.34342  ? 307 HOH   A O   1 
HETATM 1854 O O   . HOH   F 4 .   ? 23.61643 11.20975  5.39858   1.000 35.36321 ? 308 HOH   A O   1 
HETATM 1855 O O   . HOH   F 4 .   ? 26.57870 9.95668   14.81433  1.000 12.01585 ? 309 HOH   A O   1 
HETATM 1856 O O   . HOH   F 4 .   ? 17.89370 0.80442   17.39325  1.000 7.87212  ? 310 HOH   A O   1 
HETATM 1857 O O   . HOH   F 4 .   ? 32.03995 4.69607   17.84861  1.000 32.67500 ? 311 HOH   A O   1 
HETATM 1858 O O   . HOH   F 4 .   ? 19.02723 10.65925  32.30499  1.000 17.47120 ? 312 HOH   A O   1 
HETATM 1859 O O   . HOH   F 4 .   ? 2.23920  2.31547   24.26545  1.000 23.35891 ? 313 HOH   A O   1 
HETATM 1860 O O   . HOH   F 4 .   ? 13.162   12.700    3.445     1.000 22.79593 ? 314 HOH   A O   1 
HETATM 1861 O O   . HOH   F 4 .   ? 1.51781  4.19762   25.60109  1.000 29.14798 ? 315 HOH   A O   1 
HETATM 1862 O O   . HOH   F 4 .   ? 18.47821 -2.82322  17.53506  1.000 10.50515 ? 316 HOH   A O   1 
HETATM 1863 O O   . HOH   F 4 .   ? 15.06379 6.30994   34.56007  1.000 16.79910 ? 317 HOH   A O   1 
HETATM 1864 O O   . HOH   F 4 .   ? 3.07957  8.33357   40.01958  1.000 14.68256 ? 318 HOH   A O   1 
HETATM 1865 O O   . HOH   F 4 .   ? 7.60979  -1.43083  12.92500  1.000 17.37018 ? 319 HOH   A O   1 
HETATM 1866 O O   . HOH   F 4 .   ? 21.81683 -13.10128 18.55522  1.000 24.66018 ? 320 HOH   A O   1 
HETATM 1867 O O   . HOH   F 4 .   ? 22.95818 -4.15709  19.12635  1.000 12.45437 ? 321 HOH   A O   1 
HETATM 1868 O O   . HOH   F 4 .   ? 23.23954 15.64945  17.21529  1.000 11.45253 ? 322 HOH   A O   1 
HETATM 1869 O O   . HOH   F 4 .   ? 9.52450  2.38168   5.88901   1.000 24.19254 ? 323 HOH   A O   1 
HETATM 1870 O O   . HOH   F 4 .   ? 28.92305 8.54481   20.78984  1.000 18.31135 ? 324 HOH   A O   1 
HETATM 1871 O O   . HOH   F 4 .   ? 10.81378 -4.30965  21.75076  1.000 17.32425 ? 325 HOH   A O   1 
HETATM 1872 O O   . HOH   F 4 .   ? 24.07783 -1.06967  16.17029  1.000 14.12783 ? 326 HOH   A O   1 
HETATM 1873 O O   . HOH   F 4 .   ? 9.56480  19.18070  32.46070  1.000 19.58739 ? 327 HOH   A O   1 
HETATM 1874 O O   . HOH   F 4 .   ? 5.31840  13.10448  12.30818  1.000 25.54315 ? 328 HOH   A O   1 
HETATM 1875 O O   . HOH   F 4 .   ? 23.41320 -1.73161  33.24631  1.000 16.24131 ? 329 HOH   A O   1 
HETATM 1876 O O   . HOH   F 4 .   ? 19.26212 16.78728  24.60984  1.000 8.69728  ? 330 HOH   A O   1 
HETATM 1877 O O   . HOH   F 4 .   ? 30.10130 2.87616   25.41037  1.000 7.06284  ? 331 HOH   A O   1 
HETATM 1878 O O   . HOH   F 4 .   ? 27.29006 -0.43168  26.58636  1.000 7.95349  ? 332 HOH   A O   1 
HETATM 1879 O O   . HOH   F 4 .   ? 27.83122 10.79961  19.10609  1.000 16.83625 ? 333 HOH   A O   1 
HETATM 1880 O O   . HOH   F 4 .   ? 7.49726  12.53220  10.87182  1.000 16.46788 ? 334 HOH   A O   1 
HETATM 1881 O O   . HOH   F 4 .   ? 18.75162 -4.29189  34.31631  1.000 22.10184 ? 335 HOH   A O   1 
HETATM 1882 O O   . HOH   F 4 .   ? 26.45791 12.39711  14.27733  1.000 31.97763 ? 336 HOH   A O   1 
HETATM 1883 O O   . HOH   F 4 .   ? 17.16058 -2.57146  35.72655  1.000 32.66042 ? 337 HOH   A O   1 
HETATM 1884 O O   . HOH   F 4 .   ? 28.150   -8.760    17.594    1.000 23.77087 ? 338 HOH   A O   1 
HETATM 1885 O O   . HOH   F 4 .   ? 7.07126  -3.87595  14.14092  1.000 22.29594 ? 339 HOH   A O   1 
HETATM 1886 O O   . HOH   G 4 .   ? 10.03333 -6.97401  -13.34219 1.000 13.05483 ? 301 HOH   B O   1 
HETATM 1887 O O   . HOH   G 4 .   ? 2.823    -27.407   10.684    1.000 17.84914 ? 302 HOH   B O   1 
HETATM 1888 O O   . HOH   G 4 .   ? 17.37637 5.99373   -7.14305  1.000 40.37741 ? 303 HOH   B O   1 
HETATM 1889 O O   . HOH   G 4 .   ? 14.14223 -15.21934 2.78297   1.000 15.37804 ? 304 HOH   B O   1 
HETATM 1890 O O   . HOH   G 4 .   ? 1.73524  1.88729   -6.04562  1.000 19.70857 ? 305 HOH   B O   1 
HETATM 1891 O O   . HOH   G 4 .   ? 14.22791 4.28108   -4.54352  1.000 19.57853 ? 306 HOH   B O   1 
HETATM 1892 O O   . HOH   G 4 .   ? 12.38716 1.85941   3.66024   1.000 24.59569 ? 307 HOH   B O   1 
HETATM 1893 O O   . HOH   G 4 .   ? 13.01637 -17.27134 10.01243  1.000 13.00608 ? 308 HOH   B O   1 
HETATM 1894 O O   . HOH   G 4 .   ? 10.35554 -12.16299 -5.09524  1.000 13.93250 ? 309 HOH   B O   1 
HETATM 1895 O O   . HOH   G 4 .   ? 24.14831 -9.25418  -10.41480 1.000 30.34245 ? 310 HOH   B O   1 
HETATM 1896 O O   . HOH   G 4 .   ? 10.51874 -4.55760  7.89776   1.000 14.33174 ? 311 HOH   B O   1 
HETATM 1897 O O   . HOH   G 4 .   ? 0.85045  -3.87270  -1.19055  1.000 36.91073 ? 312 HOH   B O   1 
HETATM 1898 O O   . HOH   G 4 .   ? 2.98996  -15.26222 2.09962   1.000 32.82631 ? 313 HOH   B O   1 
HETATM 1899 O O   . HOH   G 4 .   ? 13.83001 -22.32826 0.65844   1.000 18.48471 ? 314 HOH   B O   1 
HETATM 1900 O O   . HOH   G 4 .   ? 22.60640 4.34341   -11.17318 1.000 25.12854 ? 315 HOH   B O   1 
HETATM 1901 O O   . HOH   G 4 .   ? 16.93827 -15.20369 3.70179   1.000 11.24904 ? 316 HOH   B O   1 
HETATM 1902 O O   . HOH   G 4 .   ? 15.24718 9.98639   -6.78249  1.000 20.87055 ? 317 HOH   B O   1 
HETATM 1903 O O   . HOH   G 4 .   ? 21.73940 0.57973   -9.39989  1.000 18.73465 ? 318 HOH   B O   1 
HETATM 1904 O O   . HOH   G 4 .   ? 10.89591 -13.22366 -14.82094 1.000 28.10559 ? 319 HOH   B O   1 
HETATM 1905 O O   . HOH   G 4 .   ? 3.78366  -11.86015 -8.93314  1.000 17.45374 ? 320 HOH   B O   1 
HETATM 1906 O O   . HOH   G 4 .   ? 3.61537  -11.72329 -11.54181 1.000 25.53434 ? 321 HOH   B O   1 
HETATM 1907 O O   . HOH   G 4 .   ? 3.59306  -10.44330 -14.05453 1.000 24.97290 ? 322 HOH   B O   1 
HETATM 1908 O O   . HOH   G 4 .   ? 26.66712 -3.78164  -10.71588 1.000 31.71116 ? 323 HOH   B O   1 
HETATM 1909 O O   . HOH   G 4 .   ? 14.624   10.324    -10.024   1.000 19.30304 ? 324 HOH   B O   1 
HETATM 1910 O O   . HOH   G 4 .   ? 28.13290 -5.76588  -11.80928 1.000 26.95609 ? 325 HOH   B O   1 
# 
