data_9HSR
# 
_entry.id   9HSR 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9HSR         pdb_00009hsr 10.2210/pdb9hsr/pdb 
WWPDB D_1292144149 ?            ?                   
# 
_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       2025-02-05 
# 
_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                        9HSR 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1lambda6-thietane-1,1-dione
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
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 'choline-phosphate cytidylyltransferase' 20646.949 1 2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn 1lambda~6~-thietane-1,1-dione            106.144   2 ?        ? ? ?                                            
3 water       nat water                                    18.015    6 ?        ? ? ?                                            
# 
_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       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1lambda~6~-thietane-1,1-dione XFV 
3 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   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP 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                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_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      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                       ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                      ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                    ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'               ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                      ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                     ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'               ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                       ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                     ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                         ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                    ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                       ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                        ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                    ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                 ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                       ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                        ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                     ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                    ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                      ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                        ? 'C5 H11 N O2'    117.146 
XFV non-polymer         . 1lambda~6~-thietane-1,1-dione ? 'C3 H6 O2 S'     106.144 
# 
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   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 712 712 ILE ILE A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 ?   ?   ?   A . n 
A 1 163 GLY 163 758 ?   ?   ?   A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 773 GLU GLU A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        XFV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   XFV 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 XFV 1 801 820 XFV LIG A . 
C 2 XFV 1 802 822 XFV LIG A . 
D 3 HOH 1 901 1   HOH HOH A . 
D 3 HOH 2 902 2   HOH HOH A . 
D 3 HOH 3 903 4   HOH HOH A . 
D 3 HOH 4 904 3   HOH HOH A . 
D 3 HOH 5 905 5   HOH HOH A . 
D 3 HOH 6 906 6   HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 635 ? CG  ? A LYS 58  CG  
2  1 Y 1 A LYS 635 ? CD  ? A LYS 58  CD  
3  1 Y 1 A LYS 635 ? CE  ? A LYS 58  CE  
4  1 Y 1 A LYS 635 ? NZ  ? A LYS 58  NZ  
5  1 Y 1 A GLN 636 ? CG  ? A GLN 59  CG  
6  1 Y 1 A GLN 636 ? CD  ? A GLN 59  CD  
7  1 Y 1 A GLN 636 ? OE1 ? A GLN 59  OE1 
8  1 Y 1 A GLN 636 ? NE2 ? A GLN 59  NE2 
9  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
10 1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
11 1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
12 1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
13 1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
14 1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
15 1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
16 1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
17 1 Y 1 A GLN 665 ? CG  ? A GLN 88  CG  
18 1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
19 1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
20 1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
21 1 Y 1 A GLU 700 ? CG  ? A GLU 123 CG  
22 1 Y 1 A GLU 700 ? CD  ? A GLU 123 CD  
23 1 Y 1 A GLU 700 ? OE1 ? A GLU 123 OE1 
24 1 Y 1 A GLU 700 ? OE2 ? A GLU 123 OE2 
25 1 Y 1 A ASP 711 ? CG  ? A ASP 134 CG  
26 1 Y 1 A ASP 711 ? OD1 ? A ASP 134 OD1 
27 1 Y 1 A ASP 711 ? OD2 ? A ASP 134 OD2 
28 1 Y 1 A ILE 712 ? CG1 ? A ILE 135 CG1 
29 1 Y 1 A ILE 712 ? CG2 ? A ILE 135 CG2 
30 1 Y 1 A ILE 712 ? CD1 ? A ILE 135 CD1 
31 1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
32 1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
33 1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
34 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
35 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
36 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
37 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
38 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
39 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
40 1 Y 1 A LEU 764 ? CG  ? A LEU 169 CG  
41 1 Y 1 A LEU 764 ? CD1 ? A LEU 169 CD1 
42 1 Y 1 A LEU 764 ? CD2 ? A LEU 169 CD2 
43 1 Y 1 A ILE 768 ? CG1 ? A ILE 173 CG1 
44 1 Y 1 A ILE 768 ? CG2 ? A ILE 173 CG2 
45 1 Y 1 A ILE 768 ? CD1 ? A ILE 173 CD1 
46 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
47 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
48 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
49 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
50 1 Y 1 A GLU 773 ? CG  ? A GLU 178 CG  
51 1 Y 1 A GLU 773 ? CD  ? A GLU 178 CD  
52 1 Y 1 A GLU 773 ? OE1 ? A GLU 178 OE1 
53 1 Y 1 A GLU 773 ? OE2 ? A GLU 178 OE2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_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                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.329 
_cell.length_a_esd                 ? 
_cell.length_b                     68.505 
_cell.length_b_esd                 ? 
_cell.length_c                     117.897 
_cell.length_c_esd                 ? 
_cell.volume                       406483.879 
_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                         9HSR 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HSR 
_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             2.46 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.02 
_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              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 S 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.8856 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          57.75 
_reflns.entry_id                                       9HSR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.210 
_reflns.d_resolution_low                               59.232 
_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                                     14001 
_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                           67.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.134 
_reflns.pdbx_Rpim_I_all                                0.057 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.121 
_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                                    2.210 
_reflns_shell.d_res_low                                     2.456 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           2371 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             358 
_reflns_shell.percent_possible_obs                          12.8 
_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                               6.6 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.4 
_reflns_shell.pdbx_Rrim_I_all                               1.329 
_reflns_shell.pdbx_Rpim_I_all                               0.516 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.222 
_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                               68.42 
_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                                 9HSR 
_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                            2.42 
_refine.ls_d_res_low                             46.29 
_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                     14001 
_refine.ls_number_reflns_R_free                  720 
_refine.ls_number_reflns_R_work                  13281 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    93.26 
_refine.ls_percent_reflns_R_free                 5.14 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2240 
_refine.ls_R_factor_R_free                       0.2781 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2211 
_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                          1.33 
_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                 38.5345 
_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                            0.5318 
_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                       2.42 
_refine_hist.d_res_low                        46.29 
_refine_hist.number_atoms_solvent             6 
_refine_hist.number_atoms_total               1036 
_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        1018 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         12 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0083  ? 1050 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9104  ? 1429 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0516  ? 168  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0049  ? 173  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.7768 ? 371  ? 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' 2.42 2.61  . . 156 2704 95.56 . . . . 0.3303 . . . . . . . . . . . 0.3882 
'X-RAY DIFFRACTION' 2.61 2.87  . . 124 2589 90.77 . . . . 0.3316 . . . . . . . . . . . 0.3967 
'X-RAY DIFFRACTION' 2.87 3.28  . . 130 2821 97.88 . . . . 0.2895 . . . . . . . . . . . 0.3124 
'X-RAY DIFFRACTION' 3.28 4.14  . . 168 2404 85.82 . . . . 0.2136 . . . . . . . . . . . 0.2293 
'X-RAY DIFFRACTION' 4.14 46.29 . . 142 2763 96.29 . . . . 0.1715 . . . . . . . . . . . 0.2695 
# 
_struct.entry_id                     9HSR 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1lambda6-thietane-1,1-dione
;
_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        9HSR 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSR 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
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 9HSR GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSR HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSR MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSR ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSR ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSR ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSR ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSR ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSR ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSR ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSR ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSR ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSR ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSR ?   A ? ? UNP Q8IEE9 ASN 737 deletion         ?   21 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1800  ? 
1 MORE         -5    ? 
1 'SSA (A^2)'  14220 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -68.5050000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ARG A 151 ? TYR A 741 ARG A 746 1 ? 6  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -3.09 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? 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 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
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 ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSR 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LEU A 629 ? ? -47.03 151.35 
2 1 ASN A 771 ? ? -62.45 7.82   
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -4.94659402784 -22.9433913305 -24.3695870692 0.527587015584 ? -0.00188329452827 ? 0.119301327047   
? 0.432286387065 ? -0.0258341485901 ? 0.59167617942  ? 8.60234299671 ? -1.51181726634  ? 5.20477204165    ? 5.64481269132 ? 
-4.22506845203  ? 7.85493493759 ? 0.174016955342   ? 0.0784410351999  ? -0.317023985096 ? 0.520044655964   ? 0.0955567864526 ? 
0.56412513419    ? 0.122026362279   ? 0.472345805619   ? -0.156248817616 ? 
2 'X-RAY DIFFRACTION' ? refined -5.30238272541 -22.8832760457 -23.3025879379 0.302321593232 ? 0.0361968519241   ? 0.0478167927112  
? 0.3653171307   ? -0.0786584750572 ? 0.493839263984 ? 5.43802257052 ? -0.464074042303 ? -0.0457583965809 ? 5.68462413097 ? 
-0.896229994576 ? 4.32991195228 ? -0.14830329465   ? -0.438828818129  ? 0.413419696803  ? 0.269992549465   ? 0.0773721680775 ? 
0.714080890369   ? -0.0745882372449 ? -0.05230190508   ? 0.102669837721  ? 
3 'X-RAY DIFFRACTION' ? refined 1.78499671806  -21.0395698585 -9.56493097899 0.698087280957 ? 0.1684631613      ? 0.142694507791   
? 0.680544486792 ? 0.0616473053067  ? 0.718491784238 ? 4.0802546734  ? -2.50534752353  ? -3.7449512809    ? 3.19221246159 ? 
-0.505986494323 ? 9.68525987675 ? -0.628887866308  ? -1.74742415284   ? 0.852561762163  ? 1.49113497141    ? 1.18151176598   ? 
0.832445044546   ? 0.347225060887   ? -0.312419633127  ? -0.548226947764 ? 
4 'X-RAY DIFFRACTION' ? refined -1.18748334427 -19.1326750217 -25.9460194734 0.403877786995 ? -0.01447748425    ? 0.0142503468957  
? 0.283850782289 ? -0.0199381823163 ? 0.510627407476 ? 6.31840390057 ? -1.66595076409  ? 0.377353040997   ? 1.54965605326 ? 
-0.566968996993 ? 4.83112854327 ? -0.233164544164  ? -0.0103298508726 ? 0.407231071375  ? -0.0319868403993 ? 0.0987573923863 ? 
-0.132221225291  ? -0.309841108118  ? 0.0826999608538  ? 0.0935110808234 ? 
5 'X-RAY DIFFRACTION' ? refined -16.1699837961 -13.0338994722 -24.7607033466 0.730798036567 ? -0.0763658669709  ? -0.0821287621847 
? 0.590179379913 ? -0.184645848584  ? 0.630288855397 ? 8.5741668024  ? -1.80713902525  ? 1.45226754434    ? 2.55467787815 ? 
-3.30748422981  ? 4.81584862193 ? -0.0305550842727 ? -0.81745585474   ? 0.826809601149  ? 1.22294859242    ? -0.109379566819 ? 
-0.149034480412  ? -0.463490722049  ? 0.00322299542239 ? 0.15620420548   ? 
6 'X-RAY DIFFRACTION' ? refined -13.0581154399 -29.3073104847 -16.7454877912 1.2606197981   ? -0.333385682504   ? 0.208488681389   
? 0.862042211377 ? 0.0795507109891  ? 1.02337987774  ? 8.30854779278 ? -2.3216838635   ? 5.21726623561    ? 1.84601907262 ? 
-2.46499784841  ? 4.41560381497 ? -0.928525600773  ? -1.14606934145   ? -0.629076095744 ? -0.0461051099275 ? -0.141825410698 ? 
-0.0386840421073 ? 0.940776310717   ? -0.990245982995  ? 0.837766553009  ? 
7 'X-RAY DIFFRACTION' ? refined -5.5397385524  -39.534125532  -1.35893974184 0.886337874562 ? -0.00711690831627 ? 0.0233878220924  
? 1.11557107496  ? -0.306132750618  ? 0.770456815146 ? 4.58275529621 ? -3.39550400709  ? 3.89796133157    ? 4.01070007489 ? 
-2.84647971293  ? 5.01578225133 ? -0.169684318076  ? -0.142879766779  ? 0.192820036382  ? -0.1455836853    ? 0.545741653133  ? 
0.389772804803   ? 0.81988778287    ? -1.84031030701   ? -0.146945844812 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 15  A 630 ? ? 
;chain 'A' and (resid 616 through 630 )
;
2 'X-RAY DIFFRACTION' 2 A 16  A 631 ? A 47  A 662 ? ? 
;chain 'A' and (resid 631 through 662 )
;
3 'X-RAY DIFFRACTION' 3 A 48  A 663 ? A 54  A 669 ? ? 
;chain 'A' and (resid 663 through 669 )
;
4 'X-RAY DIFFRACTION' 4 A 55  A 670 ? A 94  A 709 ? ? 
;chain 'A' and (resid 670 through 709 )
;
5 'X-RAY DIFFRACTION' 5 A 95  A 710 ? A 111 A 752 ? ? 
;chain 'A' and (resid 710 through 752 )
;
6 'X-RAY DIFFRACTION' 6 A 112 A 753 ? A 117 A 760 ? ? 
;chain 'A' and (resid 753 through 760 )
;
7 'X-RAY DIFFRACTION' 7 A 118 A 761 ? A 130 A 773 ? ? 
;chain 'A' and (resid 761 through 773 )
;
# 
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 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A PRO 731 ? A PRO 136 
40 1 Y 1 A TYR 732 ? A TYR 137 
41 1 Y 1 A ALA 733 ? A ALA 138 
42 1 Y 1 A ASN 734 ? A ASN 139 
43 1 Y 1 A ASN 735 ? A ASN 140 
44 1 Y 1 A GLN 736 ? A GLN 141 
45 1 Y 1 A LYS 737 ? A LYS 142 
46 1 Y 1 A GLU 738 ? A GLU 143 
47 1 Y 1 A GLU 757 ? A GLU 162 
48 1 Y 1 A GLY 758 ? A GLY 163 
49 1 Y 1 A ASP 774 ? A ASP 179 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
XFV O01  O N N 391 
XFV S02  S N N 392 
XFV O03  O N N 393 
XFV C04  C N N 394 
XFV C05  C N N 395 
XFV C06  C N N 396 
XFV H042 H N N 397 
XFV H041 H N N 398 
XFV H052 H N N 399 
XFV H051 H N N 400 
XFV H062 H N N 401 
XFV H061 H N N 402 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
XFV S02 O01  doub N N 376 
XFV O03 S02  doub N N 377 
XFV C04 S02  sing N N 378 
XFV C05 C04  sing N N 379 
XFV C06 C05  sing N N 380 
XFV S02 C06  sing N N 381 
XFV C04 H042 sing N N 382 
XFV C04 H041 sing N N 383 
XFV C05 H052 sing N N 384 
XFV C05 H051 sing N N 385 
XFV C06 H062 sing N N 386 
XFV C06 H061 sing N N 387 
# 
_pdbx_audit_support.funding_organization   'Agence Nationale de la Recherche (ANR)' 
_pdbx_audit_support.country                France 
_pdbx_audit_support.grant_number           ANR-20-CE44-0012 
_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   4ZCS 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HSR 
_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]   0.019869 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.014597 
_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]   0.008482 
_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.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . LYS A 1 39  ? -9.35662  -21.90020 -44.92575 1.000 103.04775 ? 616 LYS A N    1 
ATOM   2    C CA   . LYS A 1 39  ? -10.30661 -22.48770 -43.99041 1.000 96.05280  ? 616 LYS A CA   1 
ATOM   3    C C    . LYS A 1 39  ? -9.70872  -22.70104 -42.58929 1.000 92.61627  ? 616 LYS A C    1 
ATOM   4    O O    . LYS A 1 39  ? -10.38200 -23.26206 -41.72084 1.000 91.31273  ? 616 LYS A O    1 
ATOM   5    C CB   . LYS A 1 39  ? -10.82724 -23.82720 -44.53418 1.000 98.84592  ? 616 LYS A CB   1 
ATOM   6    C CG   . LYS A 1 39  ? -12.06547 -24.37847 -43.81062 1.000 97.79642  ? 616 LYS A CG   1 
ATOM   7    C CD   . LYS A 1 39  ? -12.16282 -25.88901 -43.93840 1.000 94.70124  ? 616 LYS A CD   1 
ATOM   8    C CE   . LYS A 1 39  ? -11.99254 -26.30406 -45.38102 1.000 100.23483 ? 616 LYS A CE   1 
ATOM   9    N NZ   . LYS A 1 39  ? -11.63412 -27.73631 -45.50852 1.000 102.53546 ? 616 LYS A NZ   1 
ATOM   10   N N    . ASN A 1 40  ? -8.46444  -22.25975 -42.35748 1.000 88.25404  ? 617 ASN A N    1 
ATOM   11   C CA   . ASN A 1 40  ? -7.80220  -22.48629 -41.07191 1.000 81.46436  ? 617 ASN A CA   1 
ATOM   12   C C    . ASN A 1 40  ? -8.03853  -21.33309 -40.09332 1.000 79.61943  ? 617 ASN A C    1 
ATOM   13   O O    . ASN A 1 40  ? -7.71722  -20.17613 -40.38383 1.000 82.12891  ? 617 ASN A O    1 
ATOM   14   C CB   . ASN A 1 40  ? -6.30131  -22.71263 -41.25404 1.000 81.53611  ? 617 ASN A CB   1 
ATOM   15   C CG   . ASN A 1 40  ? -5.68955  -23.43526 -40.07190 1.000 77.85581  ? 617 ASN A CG   1 
ATOM   16   O OD1  . ASN A 1 40  ? -5.80138  -22.98622 -38.93548 1.000 75.56031  ? 617 ASN A OD1  1 
ATOM   17   N ND2  . ASN A 1 40  ? -5.07273  -24.58048 -40.33065 1.000 80.08252  ? 617 ASN A ND2  1 
ATOM   18   N N    . VAL A 1 41  ? -8.57150  -21.66585 -38.92111 1.000 68.20640  ? 618 VAL A N    1 
ATOM   19   C CA   . VAL A 1 41  ? -9.03800  -20.69757 -37.93648 1.000 64.11206  ? 618 VAL A CA   1 
ATOM   20   C C    . VAL A 1 41  ? -8.02460  -20.67709 -36.80780 1.000 59.36243  ? 618 VAL A C    1 
ATOM   21   O O    . VAL A 1 41  ? -7.58949  -21.74296 -36.35585 1.000 61.23548  ? 618 VAL A O    1 
ATOM   22   C CB   . VAL A 1 41  ? -10.43229 -21.08619 -37.40338 1.000 62.73952  ? 618 VAL A CB   1 
ATOM   23   C CG1  . VAL A 1 41  ? -10.95002 -20.08553 -36.39331 1.000 56.43015  ? 618 VAL A CG1  1 
ATOM   24   C CG2  . VAL A 1 41  ? -11.40602 -21.27835 -38.53728 1.000 65.97357  ? 618 VAL A CG2  1 
ATOM   25   N N    . VAL A 1 42  ? -7.65471  -19.48462 -36.34189 1.000 53.17718  ? 619 VAL A N    1 
ATOM   26   C CA   . VAL A 1 42  ? -6.71654  -19.36179 -35.22747 1.000 56.59475  ? 619 VAL A CA   1 
ATOM   27   C C    . VAL A 1 42  ? -7.51824  -19.19347 -33.95095 1.000 55.12330  ? 619 VAL A C    1 
ATOM   28   O O    . VAL A 1 42  ? -8.31854  -18.25476 -33.83063 1.000 57.48610  ? 619 VAL A O    1 
ATOM   29   C CB   . VAL A 1 42  ? -5.72793  -18.20147 -35.41625 1.000 52.46878  ? 619 VAL A CB   1 
ATOM   30   C CG1  . VAL A 1 42  ? -4.83937  -18.08386 -34.20298 1.000 45.90179  ? 619 VAL A CG1  1 
ATOM   31   C CG2  . VAL A 1 42  ? -4.89866  -18.45387 -36.62545 1.000 50.19125  ? 619 VAL A CG2  1 
ATOM   32   N N    . ILE A 1 43  ? -7.31101  -20.11489 -33.00785 1.000 50.43971  ? 620 ILE A N    1 
ATOM   33   C CA   . ILE A 1 43  ? -7.95084  -20.08445 -31.69528 1.000 53.50213  ? 620 ILE A CA   1 
ATOM   34   C C    . ILE A 1 43  ? -6.89755  -19.77378 -30.63727 1.000 50.12507  ? 620 ILE A C    1 
ATOM   35   O O    . ILE A 1 43  ? -5.83902  -20.40927 -30.59819 1.000 52.72184  ? 620 ILE A O    1 
ATOM   36   C CB   . ILE A 1 43  ? -8.65063  -21.41621 -31.37369 1.000 52.86056  ? 620 ILE A CB   1 
ATOM   37   C CG1  . ILE A 1 43  ? -9.53316  -21.87798 -32.54677 1.000 54.79915  ? 620 ILE A CG1  1 
ATOM   38   C CG2  . ILE A 1 43  ? -9.41853  -21.30347 -30.05983 1.000 48.17364  ? 620 ILE A CG2  1 
ATOM   39   C CD1  . ILE A 1 43  ? -10.57199 -20.88062 -32.95625 1.000 54.58983  ? 620 ILE A CD1  1 
ATOM   40   N N    . TYR A 1 44  ? -7.19708  -18.82437 -29.76293 1.000 51.17248  ? 621 TYR A N    1 
ATOM   41   C CA   . TYR A 1 44  ? -6.32517  -18.49256 -28.64912 1.000 49.78757  ? 621 TYR A CA   1 
ATOM   42   C C    . TYR A 1 44  ? -7.01220  -18.86538 -27.34779 1.000 52.53330  ? 621 TYR A C    1 
ATOM   43   O O    . TYR A 1 44  ? -8.15374  -18.45664 -27.10132 1.000 52.53583  ? 621 TYR A O    1 
ATOM   44   C CB   . TYR A 1 44  ? -5.98037  -17.00962 -28.66410 1.000 51.87902  ? 621 TYR A CB   1 
ATOM   45   C CG   . TYR A 1 44  ? -5.09779  -16.53487 -27.53406 1.000 53.05515  ? 621 TYR A CG   1 
ATOM   46   C CD1  . TYR A 1 44  ? -3.74480  -16.85001 -27.49201 1.000 51.45845  ? 621 TYR A CD1  1 
ATOM   47   C CD2  . TYR A 1 44  ? -5.61572  -15.73764 -26.52236 1.000 55.11838  ? 621 TYR A CD2  1 
ATOM   48   C CE1  . TYR A 1 44  ? -2.93607  -16.38766 -26.46083 1.000 50.67343  ? 621 TYR A CE1  1 
ATOM   49   C CE2  . TYR A 1 44  ? -4.82210  -15.27133 -25.50041 1.000 55.10735  ? 621 TYR A CE2  1 
ATOM   50   C CZ   . TYR A 1 44  ? -3.48400  -15.59989 -25.46750 1.000 53.44633  ? 621 TYR A CZ   1 
ATOM   51   O OH   . TYR A 1 44  ? -2.71631  -15.12311 -24.42985 1.000 55.07843  ? 621 TYR A OH   1 
ATOM   52   N N    . ALA A 1 45  ? -6.31622  -19.63024 -26.51625 1.000 49.08043  ? 622 ALA A N    1 
ATOM   53   C CA   . ALA A 1 45  ? -6.81533  -20.00115 -25.19761 1.000 54.05411  ? 622 ALA A CA   1 
ATOM   54   C C    . ALA A 1 45  ? -5.70851  -19.73994 -24.18238 1.000 55.17462  ? 622 ALA A C    1 
ATOM   55   O O    . ALA A 1 45  ? -4.63228  -20.34737 -24.25325 1.000 53.79464  ? 622 ALA A O    1 
ATOM   56   C CB   . ALA A 1 45  ? -7.26891  -21.46232 -25.16631 1.000 53.92709  ? 622 ALA A CB   1 
ATOM   57   N N    . ASP A 1 46  ? -5.95697  -18.82319 -23.25567 1.000 55.20995  ? 623 ASP A N    1 
ATOM   58   C CA   . ASP A 1 46  ? -4.97898  -18.47629 -22.23845 1.000 58.28315  ? 623 ASP A CA   1 
ATOM   59   C C    . ASP A 1 46  ? -5.34341  -19.10020 -20.89745 1.000 60.46128  ? 623 ASP A C    1 
ATOM   60   O O    . ASP A 1 46  ? -6.46818  -19.56287 -20.67637 1.000 64.12639  ? 623 ASP A O    1 
ATOM   61   C CB   . ASP A 1 46  ? -4.85025  -16.95464 -22.11029 1.000 63.13119  ? 623 ASP A CB   1 
ATOM   62   C CG   . ASP A 1 46  ? -6.17563  -16.26037 -21.75275 1.000 68.43624  ? 623 ASP A CG   1 
ATOM   63   O OD1  . ASP A 1 46  ? -7.05027  -16.89383 -21.11668 1.000 73.89199  ? 623 ASP A OD1  1 
ATOM   64   O OD2  . ASP A 1 46  ? -6.33509  -15.06352 -22.10730 1.000 66.26466  ? 623 ASP A OD2  1 
ATOM   65   N N    . GLY A 1 47  ? -4.37044  -19.10409 -19.99784 1.000 63.94846  ? 624 GLY A N    1 
ATOM   66   C CA   . GLY A 1 47  ? -4.55451  -19.72862 -18.70488 1.000 60.65617  ? 624 GLY A CA   1 
ATOM   67   C C    . GLY A 1 47  ? -3.27814  -19.71145 -17.90533 1.000 60.22881  ? 624 GLY A C    1 
ATOM   68   O O    . GLY A 1 47  ? -2.23262  -19.22570 -18.34590 1.000 58.53116  ? 624 GLY A O    1 
ATOM   69   N N    . VAL A 1 48  ? -3.39847  -20.22601 -16.68708 1.000 62.40879  ? 625 VAL A N    1 
ATOM   70   C CA   . VAL A 1 48  ? -2.22598  -20.43928 -15.85649 1.000 59.44820  ? 625 VAL A CA   1 
ATOM   71   C C    . VAL A 1 48  ? -1.59900  -21.78582 -16.17495 1.000 59.14535  ? 625 VAL A C    1 
ATOM   72   O O    . VAL A 1 48  ? -0.37274  -21.91384 -16.24363 1.000 61.01826  ? 625 VAL A O    1 
ATOM   73   C CB   . VAL A 1 48  ? -2.61062  -20.32479 -14.37370 1.000 63.49015  ? 625 VAL A CB   1 
ATOM   74   C CG1  . VAL A 1 48  ? -1.44525  -20.73566 -13.47674 1.000 63.77357  ? 625 VAL A CG1  1 
ATOM   75   C CG2  . VAL A 1 48  ? -3.08553  -18.91027 -14.07207 1.000 64.85304  ? 625 VAL A CG2  1 
ATOM   76   N N    . TYR A 1 49  ? -2.42525  -22.80162 -16.39702 1.000 58.01701  ? 626 TYR A N    1 
ATOM   77   C CA   . TYR A 1 49  ? -1.95377  -24.16354 -16.62898 1.000 61.49618  ? 626 TYR A CA   1 
ATOM   78   C C    . TYR A 1 49  ? -0.94747  -24.58047 -15.56156 1.000 62.11514  ? 626 TYR A C    1 
ATOM   79   O O    . TYR A 1 49  ? 0.12719   -25.11205 -15.84342 1.000 63.79711  ? 626 TYR A O    1 
ATOM   80   C CB   . TYR A 1 49  ? -1.37745  -24.30769 -18.02802 1.000 56.79643  ? 626 TYR A CB   1 
ATOM   81   C CG   . TYR A 1 49  ? -2.35882  -23.84808 -19.05721 1.000 57.80112  ? 626 TYR A CG   1 
ATOM   82   C CD1  . TYR A 1 49  ? -3.45404  -24.63746 -19.41073 1.000 58.62085  ? 626 TYR A CD1  1 
ATOM   83   C CD2  . TYR A 1 49  ? -2.22669  -22.60249 -19.64574 1.000 55.93174  ? 626 TYR A CD2  1 
ATOM   84   C CE1  . TYR A 1 49  ? -4.36944  -24.20281 -20.35430 1.000 54.80971  ? 626 TYR A CE1  1 
ATOM   85   C CE2  . TYR A 1 49  ? -3.13283  -22.15715 -20.57736 1.000 58.24975  ? 626 TYR A CE2  1 
ATOM   86   C CZ   . TYR A 1 49  ? -4.19749  -22.95212 -20.93314 1.000 54.74437  ? 626 TYR A CZ   1 
ATOM   87   O OH   . TYR A 1 49  ? -5.07072  -22.47891 -21.87525 1.000 49.99894  ? 626 TYR A OH   1 
ATOM   88   N N    . ASP A 1 50  ? -1.31501  -24.33237 -14.31537 1.000 60.84936  ? 627 ASP A N    1 
ATOM   89   C CA   . ASP A 1 50  ? -0.52078  -24.79580 -13.19512 1.000 61.43605  ? 627 ASP A CA   1 
ATOM   90   C C    . ASP A 1 50  ? -0.85401  -26.26067 -12.92222 1.000 63.31950  ? 627 ASP A C    1 
ATOM   91   O O    . ASP A 1 50  ? -2.02828  -26.64158 -12.89441 1.000 66.34417  ? 627 ASP A O    1 
ATOM   92   C CB   . ASP A 1 50  ? -0.80067  -23.91410 -11.97797 1.000 61.42734  ? 627 ASP A CB   1 
ATOM   93   C CG   . ASP A 1 50  ? 0.27917   -24.01362 -10.91783 1.000 66.79616  ? 627 ASP A CG   1 
ATOM   94   O OD1  . ASP A 1 50  ? 1.47775   -24.02752 -11.26782 1.000 65.67171  ? 627 ASP A OD1  1 
ATOM   95   O OD2  . ASP A 1 50  ? -0.07650  -24.05954 -9.72611  1.000 70.81252  ? 627 ASP A OD2  1 
ATOM   96   N N    . MET A 1 51  ? 0.17644   -27.08141 -12.74975 1.000 64.58294  ? 628 MET A N    1 
ATOM   97   C CA   . MET A 1 51  ? 0.04132   -28.51148 -12.44520 1.000 67.87730  ? 628 MET A CA   1 
ATOM   98   C C    . MET A 1 51  ? -1.02883  -29.16802 -13.32246 1.000 66.02665  ? 628 MET A C    1 
ATOM   99   O O    . MET A 1 51  ? -1.99553  -29.76766 -12.85346 1.000 69.27154  ? 628 MET A O    1 
ATOM   100  C CB   . MET A 1 51  ? -0.24482  -28.73091 -10.96406 1.000 65.38538  ? 628 MET A CB   1 
ATOM   101  C CG   . MET A 1 51  ? 0.67150   -27.96339 -10.02881 1.000 66.15165  ? 628 MET A CG   1 
ATOM   102  S SD   . MET A 1 51  ? 0.24304   -28.24154 -8.28790  1.000 83.91773  ? 628 MET A SD   1 
ATOM   103  C CE   . MET A 1 51  ? -1.44255  -27.62580 -8.18580  1.000 75.79405  ? 628 MET A CE   1 
ATOM   104  N N    . LEU A 1 52  ? -0.81070  -29.05187 -14.62773 1.000 67.91602  ? 629 LEU A N    1 
ATOM   105  C CA   . LEU A 1 52  ? -1.77603  -29.50136 -15.61482 1.000 69.62752  ? 629 LEU A CA   1 
ATOM   106  C C    . LEU A 1 52  ? -2.28336  -30.89604 -15.28422 1.000 74.14891  ? 629 LEU A C    1 
ATOM   107  O O    . LEU A 1 52  ? -1.57877  -31.70710 -14.67104 1.000 73.29619  ? 629 LEU A O    1 
ATOM   108  C CB   . LEU A 1 52  ? -1.13403  -29.49949 -16.99234 1.000 65.57151  ? 629 LEU A CB   1 
ATOM   109  C CG   . LEU A 1 52  ? -2.08691  -29.39770 -18.17453 1.000 68.52867  ? 629 LEU A CG   1 
ATOM   110  C CD1  . LEU A 1 52  ? -2.41295  -27.93946 -18.39873 1.000 64.43012  ? 629 LEU A CD1  1 
ATOM   111  C CD2  . LEU A 1 52  ? -1.47437  -30.02435 -19.42695 1.000 68.26009  ? 629 LEU A CD2  1 
ATOM   112  N N    . HIS A 1 53  ? -3.52065  -31.16521 -15.70678 1.000 80.44111  ? 630 HIS A N    1 
ATOM   113  C CA   . HIS A 1 53  ? -4.18604  -32.44540 -15.47415 1.000 84.56918  ? 630 HIS A CA   1 
ATOM   114  C C    . HIS A 1 53  ? -5.28894  -32.63695 -16.52307 1.000 81.35438  ? 630 HIS A C    1 
ATOM   115  O O    . HIS A 1 53  ? -5.50805  -31.78629 -17.39235 1.000 78.27254  ? 630 HIS A O    1 
ATOM   116  C CB   . HIS A 1 53  ? -4.72972  -32.52667 -14.03961 1.000 88.98486  ? 630 HIS A CB   1 
ATOM   117  C CG   . HIS A 1 53  ? -5.58446  -31.35906 -13.65535 1.000 95.08452  ? 630 HIS A CG   1 
ATOM   118  N ND1  . HIS A 1 53  ? -6.96104  -31.42992 -13.58895 1.000 98.49011  ? 630 HIS A ND1  1 
ATOM   119  C CD2  . HIS A 1 53  ? -5.25749  -30.08600 -13.32990 1.000 94.47514  ? 630 HIS A CD2  1 
ATOM   120  C CE1  . HIS A 1 53  ? -7.44460  -30.25082 -13.23796 1.000 100.65779 ? 630 HIS A CE1  1 
ATOM   121  N NE2  . HIS A 1 53  ? -6.43192  -29.41597 -13.08068 1.000 99.13505  ? 630 HIS A NE2  1 
ATOM   122  N N    . LEU A 1 54  ? -5.98384  -33.78094 -16.43577 1.000 73.64794  ? 631 LEU A N    1 
ATOM   123  C CA   . LEU A 1 54  ? -6.96442  -34.13631 -17.45723 1.000 67.79467  ? 631 LEU A CA   1 
ATOM   124  C C    . LEU A 1 54  ? -8.00615  -33.04514 -17.62717 1.000 65.25645  ? 631 LEU A C    1 
ATOM   125  O O    . LEU A 1 54  ? -8.48206  -32.80871 -18.74342 1.000 61.10687  ? 631 LEU A O    1 
ATOM   126  C CB   . LEU A 1 54  ? -7.63862  -35.46018 -17.11439 1.000 64.61749  ? 631 LEU A CB   1 
ATOM   127  C CG   . LEU A 1 54  ? -8.46241  -36.08338 -18.24346 1.000 62.05088  ? 631 LEU A CG   1 
ATOM   128  C CD1  . LEU A 1 54  ? -7.58828  -36.89839 -19.15330 1.000 60.10798  ? 631 LEU A CD1  1 
ATOM   129  C CD2  . LEU A 1 54  ? -9.60844  -36.93166 -17.70702 1.000 64.48474  ? 631 LEU A CD2  1 
ATOM   130  N N    . GLY A 1 55  ? -8.36641  -32.37351 -16.53378 1.000 70.42875  ? 632 GLY A N    1 
ATOM   131  C CA   . GLY A 1 55  ? -9.19188  -31.17937 -16.63615 1.000 67.96948  ? 632 GLY A CA   1 
ATOM   132  C C    . GLY A 1 55  ? -8.69715  -30.21309 -17.69488 1.000 64.80096  ? 632 GLY A C    1 
ATOM   133  O O    . GLY A 1 55  ? -9.43711  -29.84603 -18.61330 1.000 58.65920  ? 632 GLY A O    1 
ATOM   134  N N    . HIS A 1 56  ? -7.43146  -29.77361 -17.58225 1.000 67.46502  ? 633 HIS A N    1 
ATOM   135  C CA   . HIS A 1 56  ? -6.89016  -28.83473 -18.56022 1.000 57.68663  ? 633 HIS A CA   1 
ATOM   136  C C    . HIS A 1 56  ? -6.85587  -29.46245 -19.94540 1.000 54.67512  ? 633 HIS A C    1 
ATOM   137  O O    . HIS A 1 56  ? -7.21474  -28.82687 -20.94348 1.000 52.01859  ? 633 HIS A O    1 
ATOM   138  C CB   . HIS A 1 56  ? -5.48066  -28.38445 -18.16415 1.000 64.23088  ? 633 HIS A CB   1 
ATOM   139  C CG   . HIS A 1 56  ? -5.40251  -27.60969 -16.88148 1.000 67.56037  ? 633 HIS A CG   1 
ATOM   140  N ND1  . HIS A 1 56  ? -5.19021  -28.21073 -15.65796 1.000 73.70448  ? 633 HIS A ND1  1 
ATOM   141  C CD2  . HIS A 1 56  ? -5.46001  -26.27725 -16.63925 1.000 66.15797  ? 633 HIS A CD2  1 
ATOM   142  C CE1  . HIS A 1 56  ? -5.15044  -27.28481 -14.71460 1.000 72.98292  ? 633 HIS A CE1  1 
ATOM   143  N NE2  . HIS A 1 56  ? -5.30793  -26.10367 -15.28309 1.000 71.17359  ? 633 HIS A NE2  1 
ATOM   144  N N    . MET A 1 57  ? -6.42624  -30.71491 -20.02729 1.000 55.89844  ? 634 MET A N    1 
ATOM   145  C CA   . MET A 1 57  ? -6.30705  -31.33981 -21.33397 1.000 55.71359  ? 634 MET A CA   1 
ATOM   146  C C    . MET A 1 57  ? -7.66662  -31.41437 -22.02082 1.000 54.21830  ? 634 MET A C    1 
ATOM   147  O O    . MET A 1 57  ? -7.80515  -30.97826 -23.16728 1.000 53.18515  ? 634 MET A O    1 
ATOM   148  C CB   . MET A 1 57  ? -5.65025  -32.71253 -21.19596 1.000 55.35581  ? 634 MET A CB   1 
ATOM   149  C CG   . MET A 1 57  ? -4.30840  -32.65603 -20.45689 1.000 57.43910  ? 634 MET A CG   1 
ATOM   150  S SD   . MET A 1 57  ? -3.62098  -34.28371 -20.04859 1.000 56.70478  ? 634 MET A SD   1 
ATOM   151  C CE   . MET A 1 57  ? -2.58128  -33.92780 -18.64781 1.000 63.95059  ? 634 MET A CE   1 
ATOM   152  N N    . LYS A 1 58  ? -8.69722  -31.91270 -21.32249 1.000 53.71123  ? 635 LYS A N    1 
ATOM   153  C CA   . LYS A 1 58  ? -10.01400 -31.99002 -21.94832 1.000 53.48638  ? 635 LYS A CA   1 
ATOM   154  C C    . LYS A 1 58  ? -10.45464 -30.61417 -22.44965 1.000 51.43226  ? 635 LYS A C    1 
ATOM   155  O O    . LYS A 1 58  ? -11.06519 -30.51933 -23.52316 1.000 49.50048  ? 635 LYS A O    1 
ATOM   156  C CB   . LYS A 1 58  ? -11.03367 -32.61134 -20.98102 1.000 48.75001  ? 635 LYS A CB   1 
ATOM   157  N N    . GLN A 1 59  ? -10.07976 -29.53364 -21.73597 1.000 50.02862  ? 636 GLN A N    1 
ATOM   158  C CA   . GLN A 1 59  ? -10.44420 -28.18134 -22.16558 1.000 52.24465  ? 636 GLN A CA   1 
ATOM   159  C C    . GLN A 1 59  ? -9.69051  -27.77229 -23.42927 1.000 51.40851  ? 636 GLN A C    1 
ATOM   160  O O    . GLN A 1 59  ? -10.28871 -27.21131 -24.35438 1.000 52.52969  ? 636 GLN A O    1 
ATOM   161  C CB   . GLN A 1 59  ? -10.19522 -27.16911 -21.04512 1.000 49.55933  ? 636 GLN A CB   1 
ATOM   162  N N    . LEU A 1 60  ? -8.38407  -28.06368 -23.49578 1.000 49.23678  ? 637 LEU A N    1 
ATOM   163  C CA   . LEU A 1 60  ? -7.59710  -27.76208 -24.69002 1.000 48.23404  ? 637 LEU A CA   1 
ATOM   164  C C    . LEU A 1 60  ? -8.08094  -28.54576 -25.91142 1.000 47.79074  ? 637 LEU A C    1 
ATOM   165  O O    . LEU A 1 60  ? -8.18804  -27.99034 -27.01190 1.000 44.03433  ? 637 LEU A O    1 
ATOM   166  C CB   . LEU A 1 60  ? -6.12587  -28.05621 -24.41713 1.000 49.95795  ? 637 LEU A CB   1 
ATOM   167  C CG   . LEU A 1 60  ? -5.52055  -27.13356 -23.36408 1.000 49.40529  ? 637 LEU A CG   1 
ATOM   168  C CD1  . LEU A 1 60  ? -4.18936  -27.65677 -22.91524 1.000 54.20032  ? 637 LEU A CD1  1 
ATOM   169  C CD2  . LEU A 1 60  ? -5.35889  -25.75578 -23.94808 1.000 50.06594  ? 637 LEU A CD2  1 
ATOM   170  N N    . GLU A 1 61  ? -8.35485  -29.84200 -25.74257 1.000 46.07026  ? 638 GLU A N    1 
ATOM   171  C CA   . GLU A 1 61  ? -8.98856  -30.61650 -26.80333 1.000 48.80845  ? 638 GLU A CA   1 
ATOM   172  C C    . GLU A 1 61  ? -10.22741 -29.90136 -27.31293 1.000 49.29443  ? 638 GLU A C    1 
ATOM   173  O O    . GLU A 1 61  ? -10.46830 -29.83935 -28.52507 1.000 47.37612  ? 638 GLU A O    1 
ATOM   174  C CB   . GLU A 1 61  ? -9.35941  -32.00967 -26.28492 1.000 46.40038  ? 638 GLU A CB   1 
ATOM   175  C CG   . GLU A 1 61  ? -9.66345  -33.03724 -27.35477 1.000 47.43441  ? 638 GLU A CG   1 
ATOM   176  C CD   . GLU A 1 61  ? -10.29252 -34.32129 -26.78209 1.000 59.50969  ? 638 GLU A CD   1 
ATOM   177  O OE1  . GLU A 1 61  ? -10.67467 -34.34255 -25.57702 1.000 62.71110  ? 638 GLU A OE1  1 
ATOM   178  O OE2  . GLU A 1 61  ? -10.41341 -35.31742 -27.54007 1.000 61.72884  ? 638 GLU A OE2  1 
ATOM   179  N N    . GLN A 1 62  ? -11.01619 -29.33927 -26.39462 1.000 45.91483  ? 639 GLN A N    1 
ATOM   180  C CA   . GLN A 1 62  ? -12.27330 -28.70556 -26.77874 1.000 52.14801  ? 639 GLN A CA   1 
ATOM   181  C C    . GLN A 1 62  ? -12.02371 -27.51549 -27.69547 1.000 52.16508  ? 639 GLN A C    1 
ATOM   182  O O    . GLN A 1 62  ? -12.63463 -27.39533 -28.76153 1.000 49.83168  ? 639 GLN A O    1 
ATOM   183  C CB   . GLN A 1 62  ? -13.03011 -28.27818 -25.52575 1.000 55.75981  ? 639 GLN A CB   1 
ATOM   184  C CG   . GLN A 1 62  ? -14.48668 -27.94650 -25.73943 1.000 62.76748  ? 639 GLN A CG   1 
ATOM   185  C CD   . GLN A 1 62  ? -15.19791 -27.62032 -24.42374 1.000 72.57632  ? 639 GLN A CD   1 
ATOM   186  O OE1  . GLN A 1 62  ? -14.78638 -28.07896 -23.35197 1.000 77.40324  ? 639 GLN A OE1  1 
ATOM   187  N NE2  . GLN A 1 62  ? -16.26185 -26.82087 -24.50075 1.000 72.61951  ? 639 GLN A NE2  1 
ATOM   188  N N    . ALA A 1 63  ? -11.11408 -26.62535 -27.30172 1.000 50.69126  ? 640 ALA A N    1 
ATOM   189  C CA   . ALA A 1 63  ? -10.79446 -25.49705 -28.16552 1.000 50.59127  ? 640 ALA A CA   1 
ATOM   190  C C    . ALA A 1 63  ? -10.25361 -25.98077 -29.50431 1.000 49.92448  ? 640 ALA A C    1 
ATOM   191  O O    . ALA A 1 63  ? -10.69291 -25.52918 -30.56808 1.000 50.83161  ? 640 ALA A O    1 
ATOM   192  C CB   . ALA A 1 63  ? -9.79898  -24.56638 -27.47514 1.000 51.31672  ? 640 ALA A CB   1 
ATOM   193  N N    . LYS A 1 64  ? -9.30243  -26.91498 -29.47295 1.000 51.46406  ? 641 LYS A N    1 
ATOM   194  C CA   . LYS A 1 64  ? -8.71887  -27.40099 -30.71815 1.000 51.28299  ? 641 LYS A CA   1 
ATOM   195  C C    . LYS A 1 64  ? -9.80148  -27.85212 -31.69695 1.000 51.89590  ? 641 LYS A C    1 
ATOM   196  O O    . LYS A 1 64  ? -9.74851  -27.52080 -32.88635 1.000 51.32164  ? 641 LYS A O    1 
ATOM   197  C CB   . LYS A 1 64  ? -7.72529  -28.53319 -30.42953 1.000 48.92952  ? 641 LYS A CB   1 
ATOM   198  C CG   . LYS A 1 64  ? -7.12219  -29.20066 -31.68038 1.000 49.64263  ? 641 LYS A CG   1 
ATOM   199  C CD   . LYS A 1 64  ? -6.18639  -28.25618 -32.42703 1.000 49.05945  ? 641 LYS A CD   1 
ATOM   200  C CE   . LYS A 1 64  ? -5.70380  -28.87598 -33.72211 1.000 52.20576  ? 641 LYS A CE   1 
ATOM   201  N NZ   . LYS A 1 64  ? -5.13707  -27.86804 -34.64844 1.000 51.96511  ? 641 LYS A NZ   1 
ATOM   202  N N    . LYS A 1 65  ? -10.80649 -28.58673 -31.21649 1.000 52.76456  ? 642 LYS A N    1 
ATOM   203  C CA   . LYS A 1 65  ? -11.83636 -29.11755 -32.10040 1.000 51.50302  ? 642 LYS A CA   1 
ATOM   204  C C    . LYS A 1 65  ? -13.03837 -28.20343 -32.22083 1.000 52.58156  ? 642 LYS A C    1 
ATOM   205  O O    . LYS A 1 65  ? -14.10765 -28.66199 -32.62899 1.000 56.87375  ? 642 LYS A O    1 
ATOM   206  C CB   . LYS A 1 65  ? -12.29044 -30.50396 -31.63646 1.000 52.45005  ? 642 LYS A CB   1 
ATOM   207  C CG   . LYS A 1 65  ? -11.21481 -31.55853 -31.73856 1.000 51.67739  ? 642 LYS A CG   1 
ATOM   208  C CD   . LYS A 1 65  ? -11.59826 -32.86207 -31.06411 1.000 50.16360  ? 642 LYS A CD   1 
ATOM   209  C CE   . LYS A 1 65  ? -10.35425 -33.72708 -30.86170 1.000 54.79737  ? 642 LYS A CE   1 
ATOM   210  N NZ   . LYS A 1 65  ? -10.64545 -35.17776 -30.63507 1.000 56.41426  ? 642 LYS A NZ   1 
ATOM   211  N N    . LEU A 1 66  ? -12.90518 -26.92654 -31.86976 1.000 53.06272  ? 643 LEU A N    1 
ATOM   212  C CA   . LEU A 1 66  ? -14.00231 -26.00407 -32.13450 1.000 51.65787  ? 643 LEU A CA   1 
ATOM   213  C C    . LEU A 1 66  ? -14.37496 -26.00676 -33.60778 1.000 55.45181  ? 643 LEU A C    1 
ATOM   214  O O    . LEU A 1 66  ? -15.55796 -25.94954 -33.95200 1.000 57.55291  ? 643 LEU A O    1 
ATOM   215  C CB   . LEU A 1 66  ? -13.63032 -24.59708 -31.70329 1.000 53.58741  ? 643 LEU A CB   1 
ATOM   216  C CG   . LEU A 1 66  ? -13.64391 -24.38939 -30.20435 1.000 56.63315  ? 643 LEU A CG   1 
ATOM   217  C CD1  . LEU A 1 66  ? -13.00283 -23.04054 -29.85406 1.000 51.66459  ? 643 LEU A CD1  1 
ATOM   218  C CD2  . LEU A 1 66  ? -15.08686 -24.45665 -29.76307 1.000 48.65401  ? 643 LEU A CD2  1 
ATOM   219  N N    . PHE A 1 67  ? -13.38651 -26.06259 -34.49777 1.000 53.08759  ? 644 PHE A N    1 
ATOM   220  C CA   . PHE A 1 67  ? -13.65735 -26.07121 -35.93101 1.000 55.24224  ? 644 PHE A CA   1 
ATOM   221  C C    . PHE A 1 67  ? -12.83019 -27.16376 -36.60188 1.000 57.95497  ? 644 PHE A C    1 
ATOM   222  O O    . PHE A 1 67  ? -11.89460 -27.71498 -36.01225 1.000 62.42339  ? 644 PHE A O    1 
ATOM   223  C CB   . PHE A 1 67  ? -13.36503 -24.70904 -36.56534 1.000 54.17754  ? 644 PHE A CB   1 
ATOM   224  C CG   . PHE A 1 67  ? -14.18104 -23.59103 -35.99477 1.000 57.95472  ? 644 PHE A CG   1 
ATOM   225  C CD1  . PHE A 1 67  ? -15.50225 -23.39292 -36.39808 1.000 58.15673  ? 644 PHE A CD1  1 
ATOM   226  C CD2  . PHE A 1 67  ? -13.63742 -22.72717 -35.06218 1.000 56.97307  ? 644 PHE A CD2  1 
ATOM   227  C CE1  . PHE A 1 67  ? -16.26684 -22.35708 -35.86952 1.000 55.95954  ? 644 PHE A CE1  1 
ATOM   228  C CE2  . PHE A 1 67  ? -14.39456 -21.68258 -34.53343 1.000 53.01642  ? 644 PHE A CE2  1 
ATOM   229  C CZ   . PHE A 1 67  ? -15.70612 -21.50352 -34.93100 1.000 54.36916  ? 644 PHE A CZ   1 
ATOM   230  N N    . GLU A 1 68  ? -13.16486 -27.44932 -37.86405 1.000 55.74196  ? 645 GLU A N    1 
ATOM   231  C CA   . GLU A 1 68  ? -12.50497 -28.53287 -38.58454 1.000 57.92627  ? 645 GLU A CA   1 
ATOM   232  C C    . GLU A 1 68  ? -11.00790 -28.27959 -38.71798 1.000 64.95208  ? 645 GLU A C    1 
ATOM   233  O O    . GLU A 1 68  ? -10.19598 -29.17957 -38.47947 1.000 65.37506  ? 645 GLU A O    1 
ATOM   234  C CB   . GLU A 1 68  ? -13.14741 -28.72002 -39.95470 1.000 61.54010  ? 645 GLU A CB   1 
ATOM   235  N N    . ASN A 1 69  ? -10.61806 -27.05648 -39.07960 1.000 64.83827  ? 646 ASN A N    1 
ATOM   236  C CA   . ASN A 1 69  ? -9.21242  -26.69753 -39.26212 1.000 65.74885  ? 646 ASN A CA   1 
ATOM   237  C C    . ASN A 1 69  ? -8.83741  -25.60836 -38.27229 1.000 64.49465  ? 646 ASN A C    1 
ATOM   238  O O    . ASN A 1 69  ? -9.20861  -24.44722 -38.45558 1.000 63.71066  ? 646 ASN A O    1 
ATOM   239  C CB   . ASN A 1 69  ? -8.94150  -26.21496 -40.68416 1.000 73.04524  ? 646 ASN A CB   1 
ATOM   240  C CG   . ASN A 1 69  ? -9.24926  -27.26301 -41.71413 1.000 79.36776  ? 646 ASN A CG   1 
ATOM   241  O OD1  . ASN A 1 69  ? -9.76857  -26.96503 -42.79772 1.000 86.88521  ? 646 ASN A OD1  1 
ATOM   242  N ND2  . ASN A 1 69  ? -8.95031  -28.51387 -41.37932 1.000 74.88921  ? 646 ASN A ND2  1 
ATOM   243  N N    . THR A 1 70  ? -8.05167  -25.95486 -37.26437 1.000 61.11577  ? 647 THR A N    1 
ATOM   244  C CA   . THR A 1 70  ? -7.64455  -24.96772 -36.28214 1.000 58.48087  ? 647 THR A CA   1 
ATOM   245  C C    . THR A 1 70  ? -6.12810  -24.88670 -36.15360 1.000 61.27039  ? 647 THR A C    1 
ATOM   246  O O    . THR A 1 70  ? -5.39200  -25.83082 -36.46919 1.000 61.11585  ? 647 THR A O    1 
ATOM   247  C CB   . THR A 1 70  ? -8.23177  -25.28720 -34.91800 1.000 55.85217  ? 647 THR A CB   1 
ATOM   248  O OG1  . THR A 1 70  ? -7.64273  -26.50367 -34.43818 1.000 56.15071  ? 647 THR A OG1  1 
ATOM   249  C CG2  . THR A 1 70  ? -9.75503  -25.43799 -35.00599 1.000 53.96931  ? 647 THR A CG2  1 
ATOM   250  N N    . THR A 1 71  ? -5.67092  -23.73180 -35.68976 1.000 58.41773  ? 648 THR A N    1 
ATOM   251  C CA   . THR A 1 71  ? -4.37204  -23.59571 -35.04307 1.000 55.14610  ? 648 THR A CA   1 
ATOM   252  C C    . THR A 1 71  ? -4.66180  -23.10646 -33.63593 1.000 52.75377  ? 648 THR A C    1 
ATOM   253  O O    . THR A 1 71  ? -5.17372  -21.99537 -33.45184 1.000 53.58210  ? 648 THR A O    1 
ATOM   254  C CB   . THR A 1 71  ? -3.45271  -22.62544 -35.77832 1.000 57.22702  ? 648 THR A CB   1 
ATOM   255  O OG1  . THR A 1 71  ? -3.41148  -22.96763 -37.16974 1.000 61.78674  ? 648 THR A OG1  1 
ATOM   256  C CG2  . THR A 1 71  ? -2.04800  -22.69417 -35.19863 1.000 54.25126  ? 648 THR A CG2  1 
ATOM   257  N N    . LEU A 1 72  ? -4.39601  -23.95746 -32.65759 1.000 50.13844  ? 649 LEU A N    1 
ATOM   258  C CA   . LEU A 1 72  ? -4.61203  -23.61660 -31.26551 1.000 47.79642  ? 649 LEU A CA   1 
ATOM   259  C C    . LEU A 1 72  ? -3.35033  -22.94837 -30.73649 1.000 51.07761  ? 649 LEU A C    1 
ATOM   260  O O    . LEU A 1 72  ? -2.27596  -23.56483 -30.70998 1.000 52.99745  ? 649 LEU A O    1 
ATOM   261  C CB   . LEU A 1 72  ? -4.95535  -24.86301 -30.46312 1.000 46.91463  ? 649 LEU A CB   1 
ATOM   262  C CG   . LEU A 1 72  ? -5.20943  -24.59951 -28.98302 1.000 49.51942  ? 649 LEU A CG   1 
ATOM   263  C CD1  . LEU A 1 72  ? -6.22289  -23.47452 -28.84236 1.000 48.51918  ? 649 LEU A CD1  1 
ATOM   264  C CD2  . LEU A 1 72  ? -5.69057  -25.86775 -28.29390 1.000 43.86289  ? 649 LEU A CD2  1 
ATOM   265  N N    . ILE A 1 73  ? -3.46362  -21.67693 -30.37822 1.000 49.25715  ? 650 ILE A N    1 
ATOM   266  C CA   . ILE A 1 73  ? -2.39382  -20.94510 -29.71369 1.000 51.29030  ? 650 ILE A CA   1 
ATOM   267  C C    . ILE A 1 73  ? -2.76455  -20.86789 -28.25061 1.000 49.94152  ? 650 ILE A C    1 
ATOM   268  O O    . ILE A 1 73  ? -3.87549  -20.45212 -27.91442 1.000 50.60500  ? 650 ILE A O    1 
ATOM   269  C CB   . ILE A 1 73  ? -2.21746  -19.53205 -30.29198 1.000 49.63955  ? 650 ILE A CB   1 
ATOM   270  C CG1  . ILE A 1 73  ? -1.73656  -19.59156 -31.73819 1.000 46.96031  ? 650 ILE A CG1  1 
ATOM   271  C CG2  . ILE A 1 73  ? -1.26497  -18.75039 -29.43653 1.000 44.77989  ? 650 ILE A CG2  1 
ATOM   272  C CD1  . ILE A 1 73  ? -1.79494  -18.24714 -32.46006 1.000 36.29714  ? 650 ILE A CD1  1 
ATOM   273  N N    . VAL A 1 74  ? -1.85554  -21.27562 -27.38445 1.000 50.54395  ? 651 VAL A N    1 
ATOM   274  C CA   . VAL A 1 74  ? -2.07660  -21.21799 -25.94967 1.000 47.51963  ? 651 VAL A CA   1 
ATOM   275  C C    . VAL A 1 74  ? -1.22280  -20.08921 -25.40421 1.000 50.52015  ? 651 VAL A C    1 
ATOM   276  O O    . VAL A 1 74  ? -0.11720  -19.84143 -25.90109 1.000 51.33921  ? 651 VAL A O    1 
ATOM   277  C CB   . VAL A 1 74  ? -1.73806  -22.55222 -25.27112 1.000 45.94567  ? 651 VAL A CB   1 
ATOM   278  C CG1  . VAL A 1 74  ? -2.08382  -22.48546 -23.79600 1.000 46.90982  ? 651 VAL A CG1  1 
ATOM   279  C CG2  . VAL A 1 74  ? -2.47032  -23.66205 -25.95821 1.000 48.67910  ? 651 VAL A CG2  1 
ATOM   280  N N    . GLY A 1 75  ? -1.75602  -19.36876 -24.42730 1.000 51.37619  ? 652 GLY A N    1 
ATOM   281  C CA   . GLY A 1 75  ? -0.98562  -18.33027 -23.77601 1.000 49.06582  ? 652 GLY A CA   1 
ATOM   282  C C    . GLY A 1 75  ? -0.76769  -18.72565 -22.33724 1.000 55.19097  ? 652 GLY A C    1 
ATOM   283  O O    . GLY A 1 75  ? -1.71465  -19.07835 -21.63569 1.000 55.57971  ? 652 GLY A O    1 
ATOM   284  N N    . VAL A 1 76  ? 0.47142   -18.70672 -21.88998 1.000 55.68972  ? 653 VAL A N    1 
ATOM   285  C CA   . VAL A 1 76  ? 0.80003   -19.05376 -20.52153 1.000 55.03088  ? 653 VAL A CA   1 
ATOM   286  C C    . VAL A 1 76  ? 1.07106   -17.76147 -19.77899 1.000 54.81317  ? 653 VAL A C    1 
ATOM   287  O O    . VAL A 1 76  ? 1.85027   -16.92599 -20.24883 1.000 54.12212  ? 653 VAL A O    1 
ATOM   288  C CB   . VAL A 1 76  ? 2.00403   -20.00522 -20.47177 1.000 55.98307  ? 653 VAL A CB   1 
ATOM   289  C CG1  . VAL A 1 76  ? 2.27681   -20.42224 -19.06103 1.000 56.61582  ? 653 VAL A CG1  1 
ATOM   290  C CG2  . VAL A 1 76  ? 1.72844   -21.21567 -21.33176 1.000 55.51174  ? 653 VAL A CG2  1 
ATOM   291  N N    . THR A 1 77  ? 0.39990   -17.57861 -18.64156 1.000 59.79253  ? 654 THR A N    1 
ATOM   292  C CA   . THR A 1 77  ? 0.48275   -16.32870 -17.89213 1.000 59.94337  ? 654 THR A CA   1 
ATOM   293  C C    . THR A 1 77  ? 1.81585   -16.21874 -17.14494 1.000 61.17611  ? 654 THR A C    1 
ATOM   294  O O    . THR A 1 77  ? 2.37440   -17.21512 -16.67350 1.000 59.49971  ? 654 THR A O    1 
ATOM   295  C CB   . THR A 1 77  ? -0.67985  -16.24094 -16.90954 1.000 64.27825  ? 654 THR A CB   1 
ATOM   296  O OG1  . THR A 1 77  ? -0.70253  -17.41995 -16.09509 1.000 63.65427  ? 654 THR A OG1  1 
ATOM   297  C CG2  . THR A 1 77  ? -1.99733  -16.14648 -17.65413 1.000 66.12190  ? 654 THR A CG2  1 
ATOM   298  N N    . SER A 1 78  ? 2.33525   -14.99382 -17.04010 1.000 64.00108  ? 655 SER A N    1 
ATOM   299  C CA   . SER A 1 78  ? 3.62625   -14.83910 -16.38341 1.000 64.55563  ? 655 SER A CA   1 
ATOM   300  C C    . SER A 1 78  ? 3.50558   -15.19343 -14.89981 1.000 67.91097  ? 655 SER A C    1 
ATOM   301  O O    . SER A 1 78  ? 2.41227   -15.23850 -14.33155 1.000 68.12918  ? 655 SER A O    1 
ATOM   302  C CB   . SER A 1 78  ? 4.17580   -13.41980 -16.58042 1.000 66.38329  ? 655 SER A CB   1 
ATOM   303  O OG   . SER A 1 78  ? 3.50268   -12.43899 -15.80844 1.000 70.41099  ? 655 SER A OG   1 
ATOM   304  N N    . ASP A 1 79  ? 4.64970   -15.47191 -14.27480 1.000 71.17747  ? 656 ASP A N    1 
ATOM   305  C CA   . ASP A 1 79  ? 4.64574   -15.85647 -12.86515 1.000 74.15183  ? 656 ASP A CA   1 
ATOM   306  C C    . ASP A 1 79  ? 4.19580   -14.70806 -11.97981 1.000 72.86990  ? 656 ASP A C    1 
ATOM   307  O O    . ASP A 1 79  ? 3.28477   -14.85875 -11.16137 1.000 75.46817  ? 656 ASP A O    1 
ATOM   308  C CB   . ASP A 1 79  ? 6.02640   -16.34235 -12.42373 1.000 78.58963  ? 656 ASP A CB   1 
ATOM   309  C CG   . ASP A 1 79  ? 6.19522   -17.84695 -12.59919 1.000 81.26704  ? 656 ASP A CG   1 
ATOM   310  O OD1  . ASP A 1 79  ? 5.16613   -18.56768 -12.54073 1.000 77.58514  ? 656 ASP A OD1  1 
ATOM   311  O OD2  . ASP A 1 79  ? 7.34936   -18.30321 -12.80830 1.000 79.82431  ? 656 ASP A OD2  1 
ATOM   312  N N    . ASN A 1 80  ? 4.82353   -13.54812 -12.11521 1.000 70.39577  ? 657 ASN A N    1 
ATOM   313  C CA   . ASN A 1 80  ? 4.46229   -12.47546 -11.20027 1.000 77.68892  ? 657 ASN A CA   1 
ATOM   314  C C    . ASN A 1 80  ? 3.02426   -12.00426 -11.42248 1.000 78.13904  ? 657 ASN A C    1 
ATOM   315  O O    . ASN A 1 80  ? 2.35129   -11.60809 -10.46126 1.000 78.12418  ? 657 ASN A O    1 
ATOM   316  C CB   . ASN A 1 80  ? 5.46965   -11.33173 -11.31168 1.000 76.24149  ? 657 ASN A CB   1 
ATOM   317  C CG   . ASN A 1 80  ? 6.80446   -11.66816 -10.63173 1.000 86.78414  ? 657 ASN A CG   1 
ATOM   318  O OD1  . ASN A 1 80  ? 7.53523   -12.55440 -11.08683 1.000 88.81428  ? 657 ASN A OD1  1 
ATOM   319  N ND2  . ASN A 1 80  ? 7.12217   -10.96572 -9.53107  1.000 88.28001  ? 657 ASN A ND2  1 
ATOM   320  N N    . GLU A 1 81  ? 2.51714   -12.07694 -12.66004 1.000 75.46339  ? 658 GLU A N    1 
ATOM   321  C CA   . GLU A 1 81  ? 1.13448   -11.66610 -12.90723 1.000 74.08008  ? 658 GLU A CA   1 
ATOM   322  C C    . GLU A 1 81  ? 0.14451   -12.62945 -12.26562 1.000 75.79640  ? 658 GLU A C    1 
ATOM   323  O O    . GLU A 1 81  ? -0.84345  -12.19750 -11.66449 1.000 82.24482  ? 658 GLU A O    1 
ATOM   324  C CB   . GLU A 1 81  ? 0.87085   -11.53640 -14.40738 1.000 71.45593  ? 658 GLU A CB   1 
ATOM   325  C CG   . GLU A 1 81  ? 0.81956   -10.08893 -14.86581 1.000 74.39214  ? 658 GLU A CG   1 
ATOM   326  C CD   . GLU A 1 81  ? 1.08380   -9.91977  -16.34342 1.000 72.60103  ? 658 GLU A CD   1 
ATOM   327  O OE1  . GLU A 1 81  ? 1.25178   -10.93991 -17.04697 1.000 73.97365  ? 658 GLU A OE1  1 
ATOM   328  O OE2  . GLU A 1 81  ? 1.12725   -8.75650  -16.79556 1.000 76.50197  ? 658 GLU A OE2  1 
ATOM   329  N N    . THR A 1 82  ? 0.38425   -13.93430 -12.37533 1.000 74.80331  ? 659 THR A N    1 
ATOM   330  C CA   . THR A 1 82  ? -0.41353  -14.89094 -11.61371 1.000 77.30695  ? 659 THR A CA   1 
ATOM   331  C C    . THR A 1 82  ? -0.30117  -14.62749 -10.11734 1.000 81.28585  ? 659 THR A C    1 
ATOM   332  O O    . THR A 1 82  ? -1.30535  -14.40675 -9.42865  1.000 80.41245  ? 659 THR A O    1 
ATOM   333  C CB   . THR A 1 82  ? 0.03473   -16.31719 -11.90948 1.000 75.23517  ? 659 THR A CB   1 
ATOM   334  O OG1  . THR A 1 82  ? -0.05232  -16.57023 -13.31336 1.000 72.16292  ? 659 THR A OG1  1 
ATOM   335  C CG2  . THR A 1 82  ? -0.83463  -17.30840 -11.12974 1.000 77.59570  ? 659 THR A CG2  1 
ATOM   336  N N    . LYS A 1 83  ? 0.92562   -14.68589 -9.59339  1.000 78.88480  ? 660 LYS A N    1 
ATOM   337  C CA   . LYS A 1 83  ? 1.16184   -14.43537 -8.17986  1.000 79.28995  ? 660 LYS A CA   1 
ATOM   338  C C    . LYS A 1 83  ? 0.31084   -13.28260 -7.69080  1.000 81.97950  ? 660 LYS A C    1 
ATOM   339  O O    . LYS A 1 83  ? -0.32908  -13.36070 -6.63607  1.000 86.21476  ? 660 LYS A O    1 
ATOM   340  C CB   . LYS A 1 83  ? 2.64337   -14.14104 -7.95015  1.000 76.46811  ? 660 LYS A CB   1 
ATOM   341  N N    . LEU A 1 84  ? 0.25930   -12.21575 -8.48158  1.000 80.00577  ? 661 LEU A N    1 
ATOM   342  C CA   . LEU A 1 84  ? -0.37216  -10.98923 -8.02069  1.000 82.69303  ? 661 LEU A CA   1 
ATOM   343  C C    . LEU A 1 84  ? -1.88109  -11.00752 -8.21867  1.000 84.32116  ? 661 LEU A C    1 
ATOM   344  O O    . LEU A 1 84  ? -2.62316  -10.57390 -7.33207  1.000 85.25606  ? 661 LEU A O    1 
ATOM   345  C CB   . LEU A 1 84  ? 0.23326   -9.79025  -8.73822  1.000 83.08678  ? 661 LEU A CB   1 
ATOM   346  C CG   . LEU A 1 84  ? -0.55047  -8.50105  -8.52527  1.000 88.01615  ? 661 LEU A CG   1 
ATOM   347  C CD1  . LEU A 1 84  ? -0.77687  -8.23163  -7.02487  1.000 90.60929  ? 661 LEU A CD1  1 
ATOM   348  C CD2  . LEU A 1 84  ? 0.18595   -7.34894  -9.19327  1.000 90.11509  ? 661 LEU A CD2  1 
ATOM   349  N N    . PHE A 1 85  ? -2.35960  -11.48868 -9.36933  1.000 85.58756  ? 662 PHE A N    1 
ATOM   350  C CA   . PHE A 1 85  ? -3.78623  -11.38488 -9.66399  1.000 83.96001  ? 662 PHE A CA   1 
ATOM   351  C C    . PHE A 1 85  ? -4.60254  -12.60436 -9.23058  1.000 85.22424  ? 662 PHE A C    1 
ATOM   352  O O    . PHE A 1 85  ? -5.78097  -12.44577 -8.90102  1.000 91.86545  ? 662 PHE A O    1 
ATOM   353  C CB   . PHE A 1 85  ? -4.00006  -11.11079 -11.15763 1.000 80.02323  ? 662 PHE A CB   1 
ATOM   354  C CG   . PHE A 1 85  ? -3.57927  -9.72708  -11.58683 1.000 82.22122  ? 662 PHE A CG   1 
ATOM   355  C CD1  . PHE A 1 85  ? -3.38312  -8.71966  -10.65131 1.000 83.59998  ? 662 PHE A CD1  1 
ATOM   356  C CD2  . PHE A 1 85  ? -3.36242  -9.43342  -12.92499 1.000 81.20383  ? 662 PHE A CD2  1 
ATOM   357  C CE1  . PHE A 1 85  ? -2.97781  -7.43309  -11.04712 1.000 79.55669  ? 662 PHE A CE1  1 
ATOM   358  C CE2  . PHE A 1 85  ? -2.96568  -8.15048  -13.32896 1.000 83.94556  ? 662 PHE A CE2  1 
ATOM   359  C CZ   . PHE A 1 85  ? -2.77407  -7.15005  -12.38791 1.000 81.50064  ? 662 PHE A CZ   1 
ATOM   360  N N    . LYS A 1 86  ? -4.03044  -13.81190 -9.20610  1.000 87.54182  ? 663 LYS A N    1 
ATOM   361  C CA   . LYS A 1 86  ? -4.77598  -15.00174 -8.79316  1.000 84.26468  ? 663 LYS A CA   1 
ATOM   362  C C    . LYS A 1 86  ? -4.40415  -15.47419 -7.39218  1.000 87.14124  ? 663 LYS A C    1 
ATOM   363  O O    . LYS A 1 86  ? -5.28355  -15.72703 -6.55621  1.000 92.19991  ? 663 LYS A O    1 
ATOM   364  C CB   . LYS A 1 86  ? -4.56650  -16.13996 -9.80751  1.000 81.97410  ? 663 LYS A CB   1 
ATOM   365  C CG   . LYS A 1 86  ? -4.82120  -17.55427 -9.26029  1.000 86.48927  ? 663 LYS A CG   1 
ATOM   366  C CD   . LYS A 1 86  ? -4.93406  -18.60200 -10.39251 1.000 82.91366  ? 663 LYS A CD   1 
ATOM   367  C CE   . LYS A 1 86  ? -4.63994  -20.04655 -9.93118  1.000 75.29267  ? 663 LYS A CE   1 
ATOM   368  N NZ   . LYS A 1 86  ? -3.17590  -20.32635 -9.78624  1.000 75.08271  ? 663 LYS A NZ   1 
ATOM   369  N N    . GLY A 1 87  ? -3.12174  -15.56342 -7.11295  1.000 86.43695  ? 664 GLY A N    1 
ATOM   370  C CA   . GLY A 1 87  ? -2.60810  -16.15728 -5.90750  1.000 89.04577  ? 664 GLY A CA   1 
ATOM   371  C C    . GLY A 1 87  ? -1.40627  -16.99694 -6.25513  1.000 97.87535  ? 664 GLY A C    1 
ATOM   372  O O    . GLY A 1 87  ? -0.78582  -16.81713 -7.30559  1.000 92.38217  ? 664 GLY A O    1 
ATOM   373  N N    . GLN A 1 88  ? -1.08200  -17.93400 -5.37458  1.000 110.00226 ? 665 GLN A N    1 
ATOM   374  C CA   . GLN A 1 88  ? 0.11239   -18.73495 -5.58900  1.000 112.72172 ? 665 GLN A CA   1 
ATOM   375  C C    . GLN A 1 88  ? 0.05815   -19.43293 -6.94525  1.000 112.23533 ? 665 GLN A C    1 
ATOM   376  O O    . GLN A 1 88  ? -1.00893  -19.84320 -7.41371  1.000 114.62608 ? 665 GLN A O    1 
ATOM   377  C CB   . GLN A 1 88  ? 0.27151   -19.75964 -4.46685  1.000 113.42210 ? 665 GLN A CB   1 
ATOM   378  N N    . VAL A 1 89  ? 1.21961   -19.52833 -7.59343  1.000 93.68773  ? 666 VAL A N    1 
ATOM   379  C CA   . VAL A 1 89  ? 1.44823   -20.44460 -8.70736  1.000 82.26954  ? 666 VAL A CA   1 
ATOM   380  C C    . VAL A 1 89  ? 2.52816   -21.43150 -8.27162  1.000 76.15350  ? 666 VAL A C    1 
ATOM   381  O O    . VAL A 1 89  ? 3.53188   -21.04254 -7.66178  1.000 79.06062  ? 666 VAL A O    1 
ATOM   382  C CB   . VAL A 1 89  ? 1.83897   -19.70054 -10.00351 1.000 74.81648  ? 666 VAL A CB   1 
ATOM   383  C CG1  . VAL A 1 89  ? 3.24796   -19.14549 -9.91002  1.000 76.37239  ? 666 VAL A CG1  1 
ATOM   384  C CG2  . VAL A 1 89  ? 1.69841   -20.61081 -11.20414 1.000 70.11227  ? 666 VAL A CG2  1 
ATOM   385  N N    . VAL A 1 90  ? 2.30271   -22.71166 -8.54478  1.000 72.25485  ? 667 VAL A N    1 
ATOM   386  C CA   . VAL A 1 90  ? 3.16676   -23.76039 -8.01542  1.000 67.42813  ? 667 VAL A CA   1 
ATOM   387  C C    . VAL A 1 90  ? 4.34680   -24.03009 -8.93371  1.000 69.38260  ? 667 VAL A C    1 
ATOM   388  O O    . VAL A 1 90  ? 5.42973   -24.40131 -8.47665  1.000 69.72777  ? 667 VAL A O    1 
ATOM   389  C CB   . VAL A 1 90  ? 2.34796   -25.03961 -7.78752  1.000 67.25994  ? 667 VAL A CB   1 
ATOM   390  C CG1  . VAL A 1 90  ? 3.27105   -26.22742 -7.60515  1.000 68.26414  ? 667 VAL A CG1  1 
ATOM   391  C CG2  . VAL A 1 90  ? 1.44230   -24.87558 -6.60434  1.000 73.67959  ? 667 VAL A CG2  1 
ATOM   392  N N    . GLN A 1 91  ? 4.15703   -23.88133 -10.23475 1.000 66.29182  ? 668 GLN A N    1 
ATOM   393  C CA   . GLN A 1 91  ? 5.21108   -24.13508 -11.19538 1.000 63.10295  ? 668 GLN A CA   1 
ATOM   394  C C    . GLN A 1 91  ? 5.60608   -22.83986 -11.88780 1.000 64.54876  ? 668 GLN A C    1 
ATOM   395  O O    . GLN A 1 91  ? 4.76734   -21.96151 -12.13161 1.000 64.79069  ? 668 GLN A O    1 
ATOM   396  C CB   . GLN A 1 91  ? 4.77170   -25.17015 -12.22518 1.000 62.11433  ? 668 GLN A CB   1 
ATOM   397  C CG   . GLN A 1 91  ? 4.46976   -26.52665 -11.63079 1.000 66.92051  ? 668 GLN A CG   1 
ATOM   398  C CD   . GLN A 1 91  ? 4.05827   -27.53906 -12.69421 1.000 67.73193  ? 668 GLN A CD   1 
ATOM   399  O OE1  . GLN A 1 91  ? 3.12057   -27.31650 -13.46258 1.000 63.48062  ? 668 GLN A OE1  1 
ATOM   400  N NE2  . GLN A 1 91  ? 4.77143   -28.65360 -12.74683 1.000 69.38493  ? 668 GLN A NE2  1 
ATOM   401  N N    . THR A 1 92  ? 6.90067   -22.72992 -12.18620 1.000 61.84722  ? 669 THR A N    1 
ATOM   402  C CA   . THR A 1 92  ? 7.41943   -21.59153 -12.92001 1.000 62.31470  ? 669 THR A CA   1 
ATOM   403  C C    . THR A 1 92  ? 6.86215   -21.58413 -14.33826 1.000 62.61361  ? 669 THR A C    1 
ATOM   404  O O    . THR A 1 92  ? 6.33999   -22.58694 -14.84076 1.000 59.94166  ? 669 THR A O    1 
ATOM   405  C CB   . THR A 1 92  ? 8.94697   -21.62879 -12.97470 1.000 62.49768  ? 669 THR A CB   1 
ATOM   406  O OG1  . THR A 1 92  ? 9.37226   -22.64907 -13.88982 1.000 61.23023  ? 669 THR A OG1  1 
ATOM   407  C CG2  . THR A 1 92  ? 9.50988   -21.93996 -11.61316 1.000 62.24267  ? 669 THR A CG2  1 
ATOM   408  N N    . LEU A 1 93  ? 6.99483   -20.42721 -14.99172 1.000 61.83806  ? 670 LEU A N    1 
ATOM   409  C CA   . LEU A 1 93  ? 6.63148   -20.32529 -16.39963 1.000 60.25220  ? 670 LEU A CA   1 
ATOM   410  C C    . LEU A 1 93  ? 7.28453   -21.44246 -17.21236 1.000 58.16195  ? 670 LEU A C    1 
ATOM   411  O O    . LEU A 1 93  ? 6.59067   -22.19160 -17.90344 1.000 58.87651  ? 670 LEU A O    1 
ATOM   412  C CB   . LEU A 1 93  ? 6.99645   -18.93575 -16.94746 1.000 61.34120  ? 670 LEU A CB   1 
ATOM   413  C CG   . LEU A 1 93  ? 6.58254   -18.56927 -18.38766 1.000 57.19527  ? 670 LEU A CG   1 
ATOM   414  C CD1  . LEU A 1 93  ? 5.09740   -18.80906 -18.63689 1.000 58.05709  ? 670 LEU A CD1  1 
ATOM   415  C CD2  . LEU A 1 93  ? 6.94080   -17.12517 -18.70855 1.000 54.32290  ? 670 LEU A CD2  1 
ATOM   416  N N    . GLU A 1 94  ? 8.61376   -21.60324 -17.11519 1.000 59.01360  ? 671 GLU A N    1 
ATOM   417  C CA   . GLU A 1 94  ? 9.27010   -22.61405 -17.94095 1.000 60.28047  ? 671 GLU A CA   1 
ATOM   418  C C    . GLU A 1 94  ? 8.68923   -24.00231 -17.68339 1.000 55.78807  ? 671 GLU A C    1 
ATOM   419  O O    . GLU A 1 94  ? 8.49063   -24.78096 -18.61682 1.000 56.51532  ? 671 GLU A O    1 
ATOM   420  C CB   . GLU A 1 94  ? 10.78317  -22.60121 -17.71841 1.000 63.34991  ? 671 GLU A CB   1 
ATOM   421  C CG   . GLU A 1 94  ? 11.48052  -23.87227 -18.24629 1.000 73.87611  ? 671 GLU A CG   1 
ATOM   422  C CD   . GLU A 1 94  ? 12.97907  -23.69730 -18.58844 1.000 82.51230  ? 671 GLU A CD   1 
ATOM   423  O OE1  . GLU A 1 94  ? 13.30194  -23.06475 -19.62902 1.000 84.32748  ? 671 GLU A OE1  1 
ATOM   424  O OE2  . GLU A 1 94  ? 13.83168  -24.22610 -17.83460 1.000 83.53812  ? 671 GLU A OE2  1 
ATOM   425  N N    . GLU A 1 95  ? 8.38430   -24.32630 -16.43178 1.000 56.55445  ? 672 GLU A N    1 
ATOM   426  C CA   . GLU A 1 95  ? 7.79539   -25.63144 -16.13874 1.000 56.62260  ? 672 GLU A CA   1 
ATOM   427  C C    . GLU A 1 95  ? 6.39835   -25.77099 -16.74343 1.000 57.52142  ? 672 GLU A C    1 
ATOM   428  O O    . GLU A 1 95  ? 6.08668   -26.77507 -17.39408 1.000 55.18031  ? 672 GLU A O    1 
ATOM   429  C CB   . GLU A 1 95  ? 7.72787   -25.84894 -14.63287 1.000 59.04725  ? 672 GLU A CB   1 
ATOM   430  C CG   . GLU A 1 95  ? 9.05742   -26.03318 -13.93666 1.000 61.66812  ? 672 GLU A CG   1 
ATOM   431  C CD   . GLU A 1 95  ? 8.91406   -25.91515 -12.42407 1.000 68.73850  ? 672 GLU A CD   1 
ATOM   432  O OE1  . GLU A 1 95  ? 7.83676   -25.45701 -11.97524 1.000 67.96044  ? 672 GLU A OE1  1 
ATOM   433  O OE2  . GLU A 1 95  ? 9.86274   -26.27294 -11.68530 1.000 74.32443  ? 672 GLU A OE2  1 
ATOM   434  N N    . ARG A 1 96  ? 5.52619   -24.78899 -16.50776 1.000 55.50389  ? 673 ARG A N    1 
ATOM   435  C CA   . ARG A 1 96  ? 4.17573   -24.86442 -17.06482 1.000 58.19948  ? 673 ARG A CA   1 
ATOM   436  C C    . ARG A 1 96  ? 4.20653   -24.86647 -18.59452 1.000 58.67231  ? 673 ARG A C    1 
ATOM   437  O O    . ARG A 1 96  ? 3.42216   -25.57231 -19.23769 1.000 56.28157  ? 673 ARG A O    1 
ATOM   438  C CB   . ARG A 1 96  ? 3.31518   -23.70994 -16.53395 1.000 56.82152  ? 673 ARG A CB   1 
ATOM   439  C CG   . ARG A 1 96  ? 3.29720   -23.59828 -14.99234 1.000 60.86972  ? 673 ARG A CG   1 
ATOM   440  C CD   . ARG A 1 96  ? 2.37169   -22.48271 -14.46512 1.000 61.55490  ? 673 ARG A CD   1 
ATOM   441  N NE   . ARG A 1 96  ? 3.03348   -21.18750 -14.30990 1.000 64.77534  ? 673 ARG A NE   1 
ATOM   442  C CZ   . ARG A 1 96  ? 2.68929   -20.07781 -14.95459 1.000 63.23168  ? 673 ARG A CZ   1 
ATOM   443  N NH1  . ARG A 1 96  ? 1.70978   -20.06793 -15.84304 1.000 58.85724  ? 673 ARG A NH1  1 
ATOM   444  N NH2  . ARG A 1 96  ? 3.33425   -18.94531 -14.68788 1.000 66.30846  ? 673 ARG A NH2  1 
ATOM   445  N N    . THR A 1 97  ? 5.11889   -24.09929 -19.19648 1.000 56.86308  ? 674 THR A N    1 
ATOM   446  C CA   . THR A 1 97  ? 5.18789   -24.05685 -20.64608 1.000 55.87120  ? 674 THR A CA   1 
ATOM   447  C C    . THR A 1 97  ? 5.77792   -25.34172 -21.20379 1.000 55.27269  ? 674 THR A C    1 
ATOM   448  O O    . THR A 1 97  ? 5.33990   -25.82201 -22.25778 1.000 55.74125  ? 674 THR A O    1 
ATOM   449  C CB   . THR A 1 97  ? 6.00137   -22.84511 -21.10027 1.000 56.50955  ? 674 THR A CB   1 
ATOM   450  O OG1  . THR A 1 97  ? 5.45865   -21.65477 -20.51188 1.000 51.71467  ? 674 THR A OG1  1 
ATOM   451  C CG2  . THR A 1 97  ? 6.01037   -22.72047 -22.64587 1.000 47.28457  ? 674 THR A CG2  1 
ATOM   452  N N    . GLU A 1 98  ? 6.74423   -25.93247 -20.51153 1.000 53.97463  ? 675 GLU A N    1 
ATOM   453  C CA   . GLU A 1 98  ? 7.32734   -27.14964 -21.05928 1.000 57.43209  ? 675 GLU A CA   1 
ATOM   454  C C    . GLU A 1 98  ? 6.30779   -28.27738 -21.08170 1.000 54.42869  ? 675 GLU A C    1 
ATOM   455  O O    . GLU A 1 98  ? 6.31970   -29.11926 -21.98582 1.000 55.93759  ? 675 GLU A O    1 
ATOM   456  C CB   . GLU A 1 98  ? 8.57466   -27.56753 -20.26935 1.000 55.26106  ? 675 GLU A CB   1 
ATOM   457  C CG   . GLU A 1 98  ? 9.16749   -28.86962 -20.79737 1.000 62.02300  ? 675 GLU A CG   1 
ATOM   458  C CD   . GLU A 1 98  ? 10.43977  -29.29977 -20.08358 1.000 66.78586  ? 675 GLU A CD   1 
ATOM   459  O OE1  . GLU A 1 98  ? 10.74236  -28.78795 -18.97380 1.000 66.53074  ? 675 GLU A OE1  1 
ATOM   460  O OE2  . GLU A 1 98  ? 11.13559  -30.16577 -20.65112 1.000 64.96176  ? 675 GLU A OE2  1 
ATOM   461  N N    . THR A 1 99  ? 5.42099   -28.31055 -20.10127 1.000 54.18818  ? 676 THR A N    1 
ATOM   462  C CA   . THR A 1 99  ? 4.39470   -29.34245 -20.08628 1.000 58.94329  ? 676 THR A CA   1 
ATOM   463  C C    . THR A 1 99  ? 3.41397   -29.16710 -21.24632 1.000 54.96449  ? 676 THR A C    1 
ATOM   464  O O    . THR A 1 99  ? 3.11855   -30.12571 -21.97270 1.000 54.36179  ? 676 THR A O    1 
ATOM   465  C CB   . THR A 1 99  ? 3.67765   -29.32012 -18.73983 1.000 56.26199  ? 676 THR A CB   1 
ATOM   466  O OG1  . THR A 1 99  ? 4.66340   -29.31552 -17.69307 1.000 54.68352  ? 676 THR A OG1  1 
ATOM   467  C CG2  . THR A 1 99  ? 2.79147   -30.55111 -18.60278 1.000 54.94765  ? 676 THR A CG2  1 
ATOM   468  N N    . LEU A 1 100 ? 2.91999   -27.94228 -21.44530 1.000 51.42989  ? 677 LEU A N    1 
ATOM   469  C CA   . LEU A 1 100 ? 2.03864   -27.65706 -22.56906 1.000 52.77348  ? 677 LEU A CA   1 
ATOM   470  C C    . LEU A 1 100 ? 2.56023   -28.22630 -23.87937 1.000 53.19110  ? 677 LEU A C    1 
ATOM   471  O O    . LEU A 1 100 ? 1.79217   -28.80492 -24.65471 1.000 52.17450  ? 677 LEU A O    1 
ATOM   472  C CB   . LEU A 1 100 ? 1.84539   -26.15294 -22.70130 1.000 56.78337  ? 677 LEU A CB   1 
ATOM   473  C CG   . LEU A 1 100 ? 0.86897   -25.65899 -21.64949 1.000 56.26524  ? 677 LEU A CG   1 
ATOM   474  C CD1  . LEU A 1 100 ? 0.74887   -24.13605 -21.70984 1.000 55.53427  ? 677 LEU A CD1  1 
ATOM   475  C CD2  . LEU A 1 100 ? -0.45466  -26.33741 -21.90612 1.000 55.97513  ? 677 LEU A CD2  1 
ATOM   476  N N    . LYS A 1 101 ? 3.85649   -28.06694 -24.16194 1.000 51.88169  ? 678 LYS A N    1 
ATOM   477  C CA   . LYS A 1 101 ? 4.32172   -28.47651 -25.48088 1.000 55.53262  ? 678 LYS A CA   1 
ATOM   478  C C    . LYS A 1 101 ? 4.12469   -29.97150 -25.71331 1.000 55.58268  ? 678 LYS A C    1 
ATOM   479  O O    . LYS A 1 101 ? 4.16849   -30.41701 -26.86347 1.000 55.31110  ? 678 LYS A O    1 
ATOM   480  C CB   . LYS A 1 101 ? 5.79129   -28.08218 -25.70411 1.000 59.60439  ? 678 LYS A CB   1 
ATOM   481  C CG   . LYS A 1 101 ? 6.82424   -29.19359 -25.45580 1.000 55.86592  ? 678 LYS A CG   1 
ATOM   482  C CD   . LYS A 1 101 ? 8.12930   -28.86786 -26.13652 1.000 56.13093  ? 678 LYS A CD   1 
ATOM   483  C CE   . LYS A 1 101 ? 9.20884   -29.89508 -25.82404 1.000 56.45864  ? 678 LYS A CE   1 
ATOM   484  N NZ   . LYS A 1 101 ? 9.58337   -29.79378 -24.39524 1.000 59.14007  ? 678 LYS A NZ   1 
ATOM   485  N N    . HIS A 1 102 ? 3.87944   -30.75455 -24.66590 1.000 53.68122  ? 679 HIS A N    1 
ATOM   486  C CA   . HIS A 1 102 ? 3.69399   -32.17836 -24.87651 1.000 54.65829  ? 679 HIS A CA   1 
ATOM   487  C C    . HIS A 1 102 ? 2.27313   -32.55216 -25.25246 1.000 52.68813  ? 679 HIS A C    1 
ATOM   488  O O    . HIS A 1 102 ? 2.04597   -33.70747 -25.63662 1.000 51.54050  ? 679 HIS A O    1 
ATOM   489  C CB   . HIS A 1 102 ? 4.10511   -32.95243 -23.63186 1.000 52.94346  ? 679 HIS A CB   1 
ATOM   490  C CG   . HIS A 1 102 ? 5.57441   -33.02783 -23.46067 1.000 54.85599  ? 679 HIS A CG   1 
ATOM   491  N ND1  . HIS A 1 102 ? 6.32294   -31.96069 -23.01482 1.000 59.97598  ? 679 HIS A ND1  1 
ATOM   492  C CD2  . HIS A 1 102 ? 6.45056   -34.01644 -23.73317 1.000 54.56335  ? 679 HIS A CD2  1 
ATOM   493  C CE1  . HIS A 1 102 ? 7.59748   -32.30033 -22.99298 1.000 58.61315  ? 679 HIS A CE1  1 
ATOM   494  N NE2  . HIS A 1 102 ? 7.70217   -33.54155 -23.43073 1.000 56.87301  ? 679 HIS A NE2  1 
ATOM   495  N N    . ILE A 1 103 ? 1.32304   -31.61534 -25.14524 1.000 53.41290  ? 680 ILE A N    1 
ATOM   496  C CA   . ILE A 1 103 ? -0.09405  -31.90293 -25.36398 1.000 50.96076  ? 680 ILE A CA   1 
ATOM   497  C C    . ILE A 1 103 ? -0.40662  -31.76040 -26.84456 1.000 53.15536  ? 680 ILE A C    1 
ATOM   498  O O    . ILE A 1 103 ? -0.06250  -30.74242 -27.47170 1.000 49.79665  ? 680 ILE A O    1 
ATOM   499  C CB   . ILE A 1 103 ? -0.98415  -30.97965 -24.52417 1.000 54.50755  ? 680 ILE A CB   1 
ATOM   500  C CG1  . ILE A 1 103 ? -0.59118  -31.05869 -23.04229 1.000 52.40972  ? 680 ILE A CG1  1 
ATOM   501  C CG2  . ILE A 1 103 ? -2.43825  -31.33296 -24.74692 1.000 52.89114  ? 680 ILE A CG2  1 
ATOM   502  C CD1  . ILE A 1 103 ? -0.49432  -32.45673 -22.50649 1.000 52.66069  ? 680 ILE A CD1  1 
ATOM   503  N N    . ARG A 1 104 ? -1.06418  -32.79264 -27.40213 1.000 53.05078  ? 681 ARG A N    1 
ATOM   504  C CA   . ARG A 1 104 ? -1.19419  -32.92453 -28.85129 1.000 53.57590  ? 681 ARG A CA   1 
ATOM   505  C C    . ARG A 1 104 ? -2.10055  -31.85901 -29.44060 1.000 52.17354  ? 681 ARG A C    1 
ATOM   506  O O    . ARG A 1 104 ? -1.93487  -31.49593 -30.60990 1.000 53.36972  ? 681 ARG A O    1 
ATOM   507  C CB   . ARG A 1 104 ? -1.70335  -34.33607 -29.22776 1.000 51.13653  ? 681 ARG A CB   1 
ATOM   508  C CG   . ARG A 1 104 ? -3.17575  -34.41610 -29.56554 1.000 51.60341  ? 681 ARG A CG   1 
ATOM   509  C CD   . ARG A 1 104 ? -3.54894  -35.69305 -30.34610 1.000 52.81098  ? 681 ARG A CD   1 
ATOM   510  N NE   . ARG A 1 104 ? -3.27864  -36.94366 -29.63888 1.000 53.42935  ? 681 ARG A NE   1 
ATOM   511  C CZ   . ARG A 1 104 ? -2.42210  -37.86979 -30.06047 1.000 56.75848  ? 681 ARG A CZ   1 
ATOM   512  N NH1  . ARG A 1 104 ? -1.72485  -37.70976 -31.17690 1.000 56.38082  ? 681 ARG A NH1  1 
ATOM   513  N NH2  . ARG A 1 104 ? -2.26853  -38.99036 -29.35231 1.000 55.51807  ? 681 ARG A NH2  1 
ATOM   514  N N    . TRP A 1 105 ? -3.03951  -31.34455 -28.65568 1.000 50.26726  ? 682 TRP A N    1 
ATOM   515  C CA   . TRP A 1 105 ? -3.94228  -30.32487 -29.15691 1.000 50.60889  ? 682 TRP A CA   1 
ATOM   516  C C    . TRP A 1 105 ? -3.26469  -28.98391 -29.32510 1.000 50.81578  ? 682 TRP A C    1 
ATOM   517  O O    . TRP A 1 105 ? -3.80974  -28.11918 -30.02083 1.000 47.36448  ? 682 TRP A O    1 
ATOM   518  C CB   . TRP A 1 105 ? -5.12946  -30.17250 -28.21366 1.000 48.06281  ? 682 TRP A CB   1 
ATOM   519  C CG   . TRP A 1 105 ? -5.61660  -31.47504 -27.74000 1.000 49.13051  ? 682 TRP A CG   1 
ATOM   520  C CD1  . TRP A 1 105 ? -5.66789  -31.90825 -26.44938 1.000 46.34699  ? 682 TRP A CD1  1 
ATOM   521  C CD2  . TRP A 1 105 ? -6.08397  -32.56322 -28.55536 1.000 49.79748  ? 682 TRP A CD2  1 
ATOM   522  N NE1  . TRP A 1 105 ? -6.16017  -33.18645 -26.40799 1.000 51.89610  ? 682 TRP A NE1  1 
ATOM   523  C CE2  . TRP A 1 105 ? -6.43209  -33.61117 -27.68458 1.000 50.50299  ? 682 TRP A CE2  1 
ATOM   524  C CE3  . TRP A 1 105 ? -6.26764  -32.74004 -29.93388 1.000 48.93763  ? 682 TRP A CE3  1 
ATOM   525  C CZ2  . TRP A 1 105 ? -6.95121  -34.82787 -28.14476 1.000 52.23969  ? 682 TRP A CZ2  1 
ATOM   526  C CZ3  . TRP A 1 105 ? -6.78092  -33.95758 -30.39216 1.000 49.07030  ? 682 TRP A CZ3  1 
ATOM   527  C CH2  . TRP A 1 105 ? -7.11524  -34.97840 -29.50113 1.000 51.71658  ? 682 TRP A CH2  1 
ATOM   528  N N    . VAL A 1 106 ? -2.10541  -28.78175 -28.69932 1.000 53.03201  ? 683 VAL A N    1 
ATOM   529  C CA   . VAL A 1 106 ? -1.48320  -27.46371 -28.65571 1.000 51.04324  ? 683 VAL A CA   1 
ATOM   530  C C    . VAL A 1 106 ? -0.64055  -27.29983 -29.89841 1.000 50.66699  ? 683 VAL A C    1 
ATOM   531  O O    . VAL A 1 106 ? 0.20382   -28.14595 -30.19283 1.000 56.16929  ? 683 VAL A O    1 
ATOM   532  C CB   . VAL A 1 106 ? -0.63454  -27.28138 -27.39039 1.000 50.42513  ? 683 VAL A CB   1 
ATOM   533  C CG1  . VAL A 1 106 ? -0.00271  -25.90403 -27.38729 1.000 49.61408  ? 683 VAL A CG1  1 
ATOM   534  C CG2  . VAL A 1 106 ? -1.49678  -27.44540 -26.16807 1.000 51.93186  ? 683 VAL A CG2  1 
ATOM   535  N N    . ASP A 1 107 ? -0.88780  -26.23166 -30.64727 1.000 48.90269  ? 684 ASP A N    1 
ATOM   536  C CA   . ASP A 1 107 ? -0.10580  -25.97549 -31.84441 1.000 49.90215  ? 684 ASP A CA   1 
ATOM   537  C C    . ASP A 1 107 ? 0.99982   -24.93987 -31.62443 1.000 52.21231  ? 684 ASP A C    1 
ATOM   538  O O    . ASP A 1 107 ? 2.08236   -25.05638 -32.22167 1.000 46.95453  ? 684 ASP A O    1 
ATOM   539  C CB   . ASP A 1 107 ? -1.02667  -25.52179 -32.99030 1.000 51.56909  ? 684 ASP A CB   1 
ATOM   540  C CG   . ASP A 1 107 ? -2.00324  -26.61661 -33.45586 1.000 54.75463  ? 684 ASP A CG   1 
ATOM   541  O OD1  . ASP A 1 107 ? -1.59160  -27.77919 -33.65404 1.000 55.51062  ? 684 ASP A OD1  1 
ATOM   542  O OD2  . ASP A 1 107 ? -3.20904  -26.31314 -33.62923 1.000 58.03638  ? 684 ASP A OD2  1 
ATOM   543  N N    . GLU A 1 108 ? 0.76079   -23.94754 -30.76333 1.000 53.44838  ? 685 GLU A N    1 
ATOM   544  C CA   . GLU A 1 108 ? 1.68118   -22.83557 -30.57044 1.000 45.07450  ? 685 GLU A CA   1 
ATOM   545  C C    . GLU A 1 108 ? 1.49886   -22.28262 -29.16663 1.000 47.30584  ? 685 GLU A C    1 
ATOM   546  O O    . GLU A 1 108 ? 0.38023   -22.26296 -28.62986 1.000 50.43453  ? 685 GLU A O    1 
ATOM   547  C CB   . GLU A 1 108 ? 1.43524   -21.73445 -31.60808 1.000 45.96741  ? 685 GLU A CB   1 
ATOM   548  C CG   . GLU A 1 108 ? 1.52836   -22.22062 -33.04633 1.000 50.57862  ? 685 GLU A CG   1 
ATOM   549  C CD   . GLU A 1 108 ? 1.51163   -21.08926 -34.06486 1.000 61.10951  ? 685 GLU A CD   1 
ATOM   550  O OE1  . GLU A 1 108 ? 1.00376   -19.99005 -33.74772 1.000 63.13495  ? 685 GLU A OE1  1 
ATOM   551  O OE2  . GLU A 1 108 ? 2.02080   -21.28514 -35.19147 1.000 69.01167  ? 685 GLU A OE2  1 
ATOM   552  N N    . ILE A 1 109 ? 2.59522   -21.82729 -28.56466 1.000 45.11478  ? 686 ILE A N    1 
ATOM   553  C CA   . ILE A 1 109 ? 2.54204   -21.26508 -27.21876 1.000 48.01454  ? 686 ILE A CA   1 
ATOM   554  C C    . ILE A 1 109 ? 3.05766   -19.84254 -27.24994 1.000 46.69820  ? 686 ILE A C    1 
ATOM   555  O O    . ILE A 1 109 ? 4.11161   -19.56853 -27.83106 1.000 51.02414  ? 686 ILE A O    1 
ATOM   556  C CB   . ILE A 1 109 ? 3.33499   -22.08753 -26.18677 1.000 47.89305  ? 686 ILE A CB   1 
ATOM   557  C CG1  . ILE A 1 109 ? 2.77188   -23.51213 -26.07824 1.000 48.41359  ? 686 ILE A CG1  1 
ATOM   558  C CG2  . ILE A 1 109 ? 3.30626   -21.33458 -24.84791 1.000 44.75418  ? 686 ILE A CG2  1 
ATOM   559  C CD1  . ILE A 1 109 ? 3.56597   -24.42900 -25.20412 1.000 52.26393  ? 686 ILE A CD1  1 
ATOM   560  N N    . ILE A 1 110 ? 2.32638   -18.94825 -26.60942 1.000 46.55543  ? 687 ILE A N    1 
ATOM   561  C CA   . ILE A 1 110 ? 2.78991   -17.59946 -26.33706 1.000 48.19754  ? 687 ILE A CA   1 
ATOM   562  C C    . ILE A 1 110 ? 3.11422   -17.56789 -24.85057 1.000 51.88787  ? 687 ILE A C    1 
ATOM   563  O O    . ILE A 1 110 ? 2.20557   -17.52549 -24.00938 1.000 49.90677  ? 687 ILE A O    1 
ATOM   564  C CB   . ILE A 1 110 ? 1.74681   -16.54701 -26.71591 1.000 49.57872  ? 687 ILE A CB   1 
ATOM   565  C CG1  . ILE A 1 110 ? 1.59890   -16.46309 -28.22804 1.000 51.07248  ? 687 ILE A CG1  1 
ATOM   566  C CG2  . ILE A 1 110 ? 2.13058   -15.19673 -26.15324 1.000 50.34286  ? 687 ILE A CG2  1 
ATOM   567  C CD1  . ILE A 1 110 ? 0.51037   -15.49545 -28.67093 1.000 56.08275  ? 687 ILE A CD1  1 
ATOM   568  N N    . SER A 1 111 ? 4.40891   -17.62842 -24.52650 1.000 49.54510  ? 688 SER A N    1 
ATOM   569  C CA   . SER A 1 111 ? 4.85330   -17.76637 -23.15196 1.000 50.07540  ? 688 SER A CA   1 
ATOM   570  C C    . SER A 1 111 ? 6.00482   -16.80639 -22.87225 1.000 54.84632  ? 688 SER A C    1 
ATOM   571  O O    . SER A 1 111 ? 7.08266   -16.93830 -23.46296 1.000 51.03339  ? 688 SER A O    1 
ATOM   572  C CB   . SER A 1 111 ? 5.27607   -19.21068 -22.88030 1.000 53.46240  ? 688 SER A CB   1 
ATOM   573  O OG   . SER A 1 111 ? 5.81056   -19.34873 -21.57055 1.000 55.88289  ? 688 SER A OG   1 
ATOM   574  N N    . PRO A 1 112 ? 5.81607   -15.82167 -21.98050 1.000 54.82419  ? 689 PRO A N    1 
ATOM   575  C CA   . PRO A 1 112 ? 4.54102   -15.57199 -21.30239 1.000 52.33003  ? 689 PRO A CA   1 
ATOM   576  C C    . PRO A 1 112 ? 3.55138   -14.87965 -22.22529 1.000 53.29016  ? 689 PRO A C    1 
ATOM   577  O O    . PRO A 1 112 ? 3.94972   -14.35465 -23.26366 1.000 53.52768  ? 689 PRO A O    1 
ATOM   578  C CB   . PRO A 1 112 ? 4.93785   -14.63892 -20.15080 1.000 49.91513  ? 689 PRO A CB   1 
ATOM   579  C CG   . PRO A 1 112 ? 6.04676   -13.83447 -20.72071 1.000 47.37174  ? 689 PRO A CG   1 
ATOM   580  C CD   . PRO A 1 112 ? 6.81839   -14.80328 -21.61518 1.000 52.91112  ? 689 PRO A CD   1 
ATOM   581  N N    . CYS A 1 113 ? 2.28171   -14.87434 -21.84991 1.000 55.85497  ? 690 CYS A N    1 
ATOM   582  C CA   . CYS A 1 113 ? 1.25345   -14.12977 -22.55967 1.000 53.66290  ? 690 CYS A CA   1 
ATOM   583  C C    . CYS A 1 113 ? 0.78777   -12.96400 -21.71062 1.000 52.43972  ? 690 CYS A C    1 
ATOM   584  O O    . CYS A 1 113 ? 0.93084   -12.97451 -20.48533 1.000 53.68578  ? 690 CYS A O    1 
ATOM   585  C CB   . CYS A 1 113 ? 0.04706   -15.01322 -22.86621 1.000 53.16894  ? 690 CYS A CB   1 
ATOM   586  S SG   . CYS A 1 113 ? -0.83885  -15.42692 -21.36684 1.000 54.40110  ? 690 CYS A SG   1 
ATOM   587  N N    . PRO A 1 114 ? 0.21047   -11.94892 -22.33219 1.000 53.44907  ? 691 PRO A N    1 
ATOM   588  C CA   . PRO A 1 114 ? -0.27705  -10.80506 -21.56105 1.000 58.16306  ? 691 PRO A CA   1 
ATOM   589  C C    . PRO A 1 114 ? -1.45649  -11.23463 -20.70659 1.000 60.43145  ? 691 PRO A C    1 
ATOM   590  O O    . PRO A 1 114 ? -2.10240  -12.25161 -20.96645 1.000 56.81654  ? 691 PRO A O    1 
ATOM   591  C CB   . PRO A 1 114 ? -0.70167  -9.80978  -22.64219 1.000 55.51068  ? 691 PRO A CB   1 
ATOM   592  C CG   . PRO A 1 114 ? -0.06593  -10.31567 -23.89995 1.000 50.59811  ? 691 PRO A CG   1 
ATOM   593  C CD   . PRO A 1 114 ? -0.06462  -11.79588 -23.76079 1.000 53.72683  ? 691 PRO A CD   1 
ATOM   594  N N    . TRP A 1 115 ? -1.73404  -10.45484 -19.66142 1.000 62.22307  ? 692 TRP A N    1 
ATOM   595  C CA   . TRP A 1 115 ? -2.73368  -10.93348 -18.71631 1.000 65.20482  ? 692 TRP A CA   1 
ATOM   596  C C    . TRP A 1 115 ? -4.15218  -10.73979 -19.23981 1.000 67.49018  ? 692 TRP A C    1 
ATOM   597  O O    . TRP A 1 115 ? -4.97651  -11.65450 -19.14384 1.000 65.99520  ? 692 TRP A O    1 
ATOM   598  C CB   . TRP A 1 115 ? -2.57282  -10.25229 -17.36736 1.000 71.60560  ? 692 TRP A CB   1 
ATOM   599  C CG   . TRP A 1 115 ? -3.39935  -10.91493 -16.29708 1.000 74.22022  ? 692 TRP A CG   1 
ATOM   600  C CD1  . TRP A 1 115 ? -4.54145  -10.43173 -15.72964 1.000 74.33797  ? 692 TRP A CD1  1 
ATOM   601  C CD2  . TRP A 1 115 ? -3.15451  -12.18711 -15.67745 1.000 76.64667  ? 692 TRP A CD2  1 
ATOM   602  N NE1  . TRP A 1 115 ? -5.01794  -11.31605 -14.79120 1.000 73.55905  ? 692 TRP A NE1  1 
ATOM   603  C CE2  . TRP A 1 115 ? -4.18373  -12.40043 -14.74041 1.000 77.12382  ? 692 TRP A CE2  1 
ATOM   604  C CE3  . TRP A 1 115 ? -2.16230  -13.16094 -15.81770 1.000 78.94887  ? 692 TRP A CE3  1 
ATOM   605  C CZ2  . TRP A 1 115 ? -4.24636  -13.54211 -13.94831 1.000 79.44520  ? 692 TRP A CZ2  1 
ATOM   606  C CZ3  . TRP A 1 115 ? -2.22883  -14.30204 -15.02289 1.000 77.75519  ? 692 TRP A CZ3  1 
ATOM   607  C CH2  . TRP A 1 115 ? -3.26006  -14.47833 -14.10301 1.000 77.98945  ? 692 TRP A CH2  1 
ATOM   608  N N    . VAL A 1 116 ? -4.47254  -9.57303  -19.79064 1.000 66.16160  ? 693 VAL A N    1 
ATOM   609  C CA   . VAL A 1 116 ? -5.78925  -9.34051  -20.37592 1.000 65.87189  ? 693 VAL A CA   1 
ATOM   610  C C    . VAL A 1 116 ? -5.64443  -9.23107  -21.88582 1.000 62.32937  ? 693 VAL A C    1 
ATOM   611  O O    . VAL A 1 116 ? -4.77434  -8.50199  -22.38074 1.000 59.57041  ? 693 VAL A O    1 
ATOM   612  C CB   . VAL A 1 116 ? -6.45962  -8.08624  -19.79715 1.000 63.74387  ? 693 VAL A CB   1 
ATOM   613  C CG1  . VAL A 1 116 ? -5.65592  -7.56492  -18.63358 1.000 70.72026  ? 693 VAL A CG1  1 
ATOM   614  C CG2  . VAL A 1 116 ? -6.61679  -7.03064  -20.87197 1.000 59.90072  ? 693 VAL A CG2  1 
ATOM   615  N N    . VAL A 1 117 ? -6.50665  -9.94776  -22.61524 1.000 60.72751  ? 694 VAL A N    1 
ATOM   616  C CA   . VAL A 1 117 ? -6.48159  -9.89004  -24.06941 1.000 59.08780  ? 694 VAL A CA   1 
ATOM   617  C C    . VAL A 1 117 ? -7.00839  -8.53784  -24.54828 1.000 62.59606  ? 694 VAL A C    1 
ATOM   618  O O    . VAL A 1 117 ? -7.88554  -7.92359  -23.91842 1.000 63.53208  ? 694 VAL A O    1 
ATOM   619  C CB   . VAL A 1 117 ? -7.30997  -11.04343 -24.65687 1.000 59.79342  ? 694 VAL A CB   1 
ATOM   620  C CG1  . VAL A 1 117 ? -7.20047  -11.05566 -26.16550 1.000 60.61536  ? 694 VAL A CG1  1 
ATOM   621  C CG2  . VAL A 1 117 ? -6.85843  -12.37575 -24.07902 1.000 56.83112  ? 694 VAL A CG2  1 
ATOM   622  N N    . THR A 1 118 ? -6.47766  -8.06878  -25.67692 1.000 62.25618  ? 695 THR A N    1 
ATOM   623  C CA   . THR A 1 118 ? -6.84454  -6.80042  -26.28919 1.000 61.21233  ? 695 THR A CA   1 
ATOM   624  C C    . THR A 1 118 ? -7.04685  -6.96588  -27.78274 1.000 63.62135  ? 695 THR A C    1 
ATOM   625  O O    . THR A 1 118 ? -6.53836  -7.91608  -28.39344 1.000 61.14075  ? 695 THR A O    1 
ATOM   626  C CB   . THR A 1 118 ? -5.78184  -5.71109  -26.09431 1.000 62.54609  ? 695 THR A CB   1 
ATOM   627  O OG1  . THR A 1 118 ? -4.62506  -6.03894  -26.87926 1.000 68.03693  ? 695 THR A OG1  1 
ATOM   628  C CG2  . THR A 1 118 ? -5.40190  -5.56949  -24.63233 1.000 59.12754  ? 695 THR A CG2  1 
ATOM   629  N N    . PRO A 1 119 ? -7.75415  -6.02642  -28.41552 1.000 69.80523  ? 696 PRO A N    1 
ATOM   630  C CA   . PRO A 1 119 ? -7.86545  -6.05498  -29.88261 1.000 69.37025  ? 696 PRO A CA   1 
ATOM   631  C C    . PRO A 1 119 ? -6.51146  -6.01934  -30.57283 1.000 69.35208  ? 696 PRO A C    1 
ATOM   632  O O    . PRO A 1 119 ? -6.28168  -6.78948  -31.51886 1.000 68.96782  ? 696 PRO A O    1 
ATOM   633  C CB   . PRO A 1 119 ? -8.70480  -4.80456  -30.19542 1.000 70.59733  ? 696 PRO A CB   1 
ATOM   634  C CG   . PRO A 1 119 ? -9.39080  -4.44914  -28.88941 1.000 69.34791  ? 696 PRO A CG   1 
ATOM   635  C CD   . PRO A 1 119 ? -8.43069  -4.86429  -27.81712 1.000 68.45055  ? 696 PRO A CD   1 
ATOM   636  N N    . GLU A 1 120 ? -5.60509  -5.14243  -30.12146 1.000 64.21940  ? 697 GLU A N    1 
ATOM   637  C CA   . GLU A 1 120 ? -4.24138  -5.14754  -30.63894 1.000 62.90135  ? 697 GLU A CA   1 
ATOM   638  C C    . GLU A 1 120 ? -3.69535  -6.56127  -30.64357 1.000 61.30414  ? 697 GLU A C    1 
ATOM   639  O O    . GLU A 1 120 ? -3.30624  -7.08883  -31.68950 1.000 60.34044  ? 697 GLU A O    1 
ATOM   640  C CB   . GLU A 1 120 ? -3.33707  -4.23128  -29.81163 1.000 62.58480  ? 697 GLU A CB   1 
ATOM   641  C CG   . GLU A 1 120 ? -3.59836  -2.75836  -30.03469 1.000 69.59540  ? 697 GLU A CG   1 
ATOM   642  C CD   . GLU A 1 120 ? -5.06540  -2.43736  -29.84377 1.000 74.50820  ? 697 GLU A CD   1 
ATOM   643  O OE1  . GLU A 1 120 ? -5.74250  -3.27902  -29.19857 1.000 72.42415  ? 697 GLU A OE1  1 
ATOM   644  O OE2  . GLU A 1 120 ? -5.54157  -1.38791  -30.34781 1.000 78.69054  ? 697 GLU A OE2  1 
ATOM   645  N N    . PHE A 1 121 ? -3.70170  -7.20245  -29.47448 1.000 58.75701  ? 698 PHE A N    1 
ATOM   646  C CA   . PHE A 1 121 ? -3.17592  -8.55073  -29.36874 1.000 55.47765  ? 698 PHE A CA   1 
ATOM   647  C C    . PHE A 1 121 ? -3.82372  -9.47736  -30.39415 1.000 61.47838  ? 698 PHE A C    1 
ATOM   648  O O    . PHE A 1 121 ? -3.13648  -10.28574 -31.03845 1.000 58.00826  ? 698 PHE A O    1 
ATOM   649  C CB   . PHE A 1 121 ? -3.39089  -9.05029  -27.94517 1.000 57.57145  ? 698 PHE A CB   1 
ATOM   650  C CG   . PHE A 1 121 ? -2.89527  -10.44214 -27.71402 1.000 56.68843  ? 698 PHE A CG   1 
ATOM   651  C CD1  . PHE A 1 121 ? -1.58833  -10.67440 -27.36879 1.000 51.68145  ? 698 PHE A CD1  1 
ATOM   652  C CD2  . PHE A 1 121 ? -3.74644  -11.52104 -27.84270 1.000 56.44562  ? 698 PHE A CD2  1 
ATOM   653  C CE1  . PHE A 1 121 ? -1.13614  -11.96432 -27.15040 1.000 56.11546  ? 698 PHE A CE1  1 
ATOM   654  C CE2  . PHE A 1 121 ? -3.30092  -12.80752 -27.61900 1.000 55.52802  ? 698 PHE A CE2  1 
ATOM   655  C CZ   . PHE A 1 121 ? -1.99286  -13.03088 -27.28017 1.000 57.51111  ? 698 PHE A CZ   1 
ATOM   656  N N    . LEU A 1 122 ? -5.14628  -9.34802  -30.57763 1.000 59.47211  ? 699 LEU A N    1 
ATOM   657  C CA   . LEU A 1 122 ? -5.87332  -10.18586 -31.52862 1.000 58.96112  ? 699 LEU A CA   1 
ATOM   658  C C    . LEU A 1 122 ? -5.37935  -9.99318  -32.96206 1.000 58.78269  ? 699 LEU A C    1 
ATOM   659  O O    . LEU A 1 122 ? -5.07926  -10.96882 -33.65878 1.000 56.24594  ? 699 LEU A O    1 
ATOM   660  C CB   . LEU A 1 122 ? -7.36480  -9.88443  -31.44352 1.000 59.22470  ? 699 LEU A CB   1 
ATOM   661  C CG   . LEU A 1 122 ? -8.08833  -10.27830 -30.16809 1.000 56.66609  ? 699 LEU A CG   1 
ATOM   662  C CD1  . LEU A 1 122 ? -9.55167  -10.12434 -30.44098 1.000 59.41984  ? 699 LEU A CD1  1 
ATOM   663  C CD2  . LEU A 1 122 ? -7.76057  -11.69862 -29.78018 1.000 53.29477  ? 699 LEU A CD2  1 
ATOM   664  N N    . GLU A 1 123 ? -5.33602  -8.74347  -33.43953 1.000 57.92931  ? 700 GLU A N    1 
ATOM   665  C CA   . GLU A 1 123 ? -4.82174  -8.49948  -34.78194 1.000 59.73983  ? 700 GLU A CA   1 
ATOM   666  C C    . GLU A 1 123 ? -3.36775  -8.95528  -34.89442 1.000 62.89782  ? 700 GLU A C    1 
ATOM   667  O O    . GLU A 1 123 ? -2.98600  -9.61390  -35.86996 1.000 65.15048  ? 700 GLU A O    1 
ATOM   668  C CB   . GLU A 1 123 ? -4.96245  -7.01672  -35.15201 1.000 55.70991  ? 700 GLU A CB   1 
ATOM   669  N N    . LYS A 1 124 ? -2.54257  -8.63389  -33.89747 1.000 57.96754  ? 701 LYS A N    1 
ATOM   670  C CA   . LYS A 1 124 ? -1.11846  -8.94043  -34.00401 1.000 62.24708  ? 701 LYS A CA   1 
ATOM   671  C C    . LYS A 1 124 ? -0.88907  -10.42446 -34.27523 1.000 61.86892  ? 701 LYS A C    1 
ATOM   672  O O    . LYS A 1 124 ? -0.04794  -10.78529 -35.10617 1.000 60.98889  ? 701 LYS A O    1 
ATOM   673  C CB   . LYS A 1 124 ? -0.38695  -8.49446  -32.73514 1.000 63.10790  ? 701 LYS A CB   1 
ATOM   674  C CG   . LYS A 1 124 ? 0.78351   -9.39150  -32.29524 1.000 62.07188  ? 701 LYS A CG   1 
ATOM   675  C CD   . LYS A 1 124 ? 1.63177   -8.69059  -31.21596 1.000 63.23478  ? 701 LYS A CD   1 
ATOM   676  C CE   . LYS A 1 124 ? 3.05942   -9.21618  -31.19246 1.000 63.20000  ? 701 LYS A CE   1 
ATOM   677  N NZ   . LYS A 1 124 ? 4.02473   -8.30529  -30.51827 1.000 60.46324  ? 701 LYS A NZ   1 
ATOM   678  N N    . TYR A 1 125 ? -1.64186  -11.29704 -33.60420 1.000 61.28660  ? 702 TYR A N    1 
ATOM   679  C CA   . TYR A 1 125 ? -1.53938  -12.73957 -33.80359 1.000 61.97438  ? 702 TYR A CA   1 
ATOM   680  C C    . TYR A 1 125 ? -2.56693  -13.27382 -34.80505 1.000 56.62001  ? 702 TYR A C    1 
ATOM   681  O O    . TYR A 1 125 ? -2.66165  -14.49093 -35.00580 1.000 51.96633  ? 702 TYR A O    1 
ATOM   682  C CB   . TYR A 1 125 ? -1.65162  -13.44300 -32.44734 1.000 57.78771  ? 702 TYR A CB   1 
ATOM   683  C CG   . TYR A 1 125 ? -0.46885  -13.09283 -31.56925 1.000 58.60631  ? 702 TYR A CG   1 
ATOM   684  C CD1  . TYR A 1 125 ? 0.70473   -13.83982 -31.62390 1.000 58.74312  ? 702 TYR A CD1  1 
ATOM   685  C CD2  . TYR A 1 125 ? -0.50184  -11.98266 -30.72392 1.000 59.82644  ? 702 TYR A CD2  1 
ATOM   686  C CE1  . TYR A 1 125 ? 1.80698   -13.51421 -30.84710 1.000 58.43705  ? 702 TYR A CE1  1 
ATOM   687  C CE2  . TYR A 1 125 ? 0.59331   -11.64334 -29.94178 1.000 58.83665  ? 702 TYR A CE2  1 
ATOM   688  C CZ   . TYR A 1 125 ? 1.75169   -12.41710 -30.00792 1.000 62.11725  ? 702 TYR A CZ   1 
ATOM   689  O OH   . TYR A 1 125 ? 2.86097   -12.10649 -29.24220 1.000 59.75630  ? 702 TYR A OH   1 
ATOM   690  N N    . LYS A 1 126 ? -3.29715  -12.38550 -35.46669 1.000 56.53734  ? 703 LYS A N    1 
ATOM   691  C CA   . LYS A 1 126 ? -4.38100  -12.77924 -36.35300 1.000 59.89458  ? 703 LYS A CA   1 
ATOM   692  C C    . LYS A 1 126 ? -5.24630  -13.86162 -35.70964 1.000 53.89222  ? 703 LYS A C    1 
ATOM   693  O O    . LYS A 1 126 ? -5.53440  -14.89852 -36.30607 1.000 57.19906  ? 703 LYS A O    1 
ATOM   694  C CB   . LYS A 1 126 ? -3.82611  -13.23232 -37.70321 1.000 63.43862  ? 703 LYS A CB   1 
ATOM   695  C CG   . LYS A 1 126 ? -3.17074  -12.10662 -38.48967 1.000 66.92916  ? 703 LYS A CG   1 
ATOM   696  C CD   . LYS A 1 126 ? -3.20182  -12.37834 -39.97516 1.000 75.01641  ? 703 LYS A CD   1 
ATOM   697  C CE   . LYS A 1 126 ? -2.62689  -11.21168 -40.75996 1.000 83.25883  ? 703 LYS A CE   1 
ATOM   698  N NZ   . LYS A 1 126 ? -2.88923  -11.34633 -42.22991 1.000 90.56149  ? 703 LYS A NZ   1 
ATOM   699  N N    . ILE A 1 127 ? -5.65885  -13.61428 -34.47228 1.000 48.99629  ? 704 ILE A N    1 
ATOM   700  C CA   . ILE A 1 127 ? -6.52606  -14.54301 -33.75660 1.000 54.42700  ? 704 ILE A CA   1 
ATOM   701  C C    . ILE A 1 127 ? -7.98333  -14.33271 -34.16123 1.000 54.36762  ? 704 ILE A C    1 
ATOM   702  O O    . ILE A 1 127 ? -8.48924  -13.20471 -34.20219 1.000 52.69938  ? 704 ILE A O    1 
ATOM   703  C CB   . ILE A 1 127 ? -6.35186  -14.38352 -32.24338 1.000 56.61438  ? 704 ILE A CB   1 
ATOM   704  C CG1  . ILE A 1 127 ? -5.02476  -15.01358 -31.82438 1.000 56.92289  ? 704 ILE A CG1  1 
ATOM   705  C CG2  . ILE A 1 127 ? -7.53393  -15.01353 -31.51150 1.000 51.97437  ? 704 ILE A CG2  1 
ATOM   706  C CD1  . ILE A 1 127 ? -4.47705  -14.47824 -30.52591 1.000 58.82419  ? 704 ILE A CD1  1 
ATOM   707  N N    . ASP A 1 128 ? -8.66132  -15.42663 -34.45545 1.000 52.80939  ? 705 ASP A N    1 
ATOM   708  C CA   . ASP A 1 128 ? -10.06018 -15.37834 -34.84435 1.000 52.32162  ? 705 ASP A CA   1 
ATOM   709  C C    . ASP A 1 128 ? -11.00103 -15.54060 -33.66194 1.000 57.73817  ? 705 ASP A C    1 
ATOM   710  O O    . ASP A 1 128 ? -12.01947 -14.83635 -33.59300 1.000 55.81060  ? 705 ASP A O    1 
ATOM   711  C CB   . ASP A 1 128 ? -10.34154 -16.46133 -35.86976 1.000 51.68578  ? 705 ASP A CB   1 
ATOM   712  C CG   . ASP A 1 128 ? -9.61425  -16.21581 -37.14877 1.000 59.72058  ? 705 ASP A CG   1 
ATOM   713  O OD1  . ASP A 1 128 ? -9.88048  -15.14941 -37.75829 1.000 68.18020  ? 705 ASP A OD1  1 
ATOM   714  O OD2  . ASP A 1 128 ? -8.75587  -17.05884 -37.51522 1.000 60.92790  ? 705 ASP A OD2  1 
ATOM   715  N N    . TYR A 1 129 ? -10.68615 -16.46033 -32.73499 1.000 54.68166  ? 706 TYR A N    1 
ATOM   716  C CA   . TYR A 1 129 ? -11.52454 -16.68817 -31.56832 1.000 54.80177  ? 706 TYR A CA   1 
ATOM   717  C C    . TYR A 1 129 ? -10.67836 -16.84658 -30.31817 1.000 56.82381  ? 706 TYR A C    1 
ATOM   718  O O    . TYR A 1 129 ? -9.55025  -17.35959 -30.35250 1.000 52.13888  ? 706 TYR A O    1 
ATOM   719  C CB   . TYR A 1 129 ? -12.40665 -17.93916 -31.67326 1.000 51.08499  ? 706 TYR A CB   1 
ATOM   720  C CG   . TYR A 1 129 ? -13.30563 -17.98042 -32.86971 1.000 54.64616  ? 706 TYR A CG   1 
ATOM   721  C CD1  . TYR A 1 129 ? -12.83109 -18.42793 -34.09899 1.000 56.17374  ? 706 TYR A CD1  1 
ATOM   722  C CD2  . TYR A 1 129 ? -14.63093 -17.60085 -32.77800 1.000 53.46596  ? 706 TYR A CD2  1 
ATOM   723  C CE1  . TYR A 1 129 ? -13.64945 -18.47819 -35.19703 1.000 55.87167  ? 706 TYR A CE1  1 
ATOM   724  C CE2  . TYR A 1 129 ? -15.45987 -17.65689 -33.87370 1.000 51.22008  ? 706 TYR A CE2  1 
ATOM   725  C CZ   . TYR A 1 129 ? -14.97283 -18.09501 -35.07142 1.000 54.57995  ? 706 TYR A CZ   1 
ATOM   726  O OH   . TYR A 1 129 ? -15.78846 -18.13576 -36.16795 1.000 52.11255  ? 706 TYR A OH   1 
ATOM   727  N N    . VAL A 1 130 ? -11.27979 -16.43924 -29.20810 1.000 52.41783  ? 707 VAL A N    1 
ATOM   728  C CA   . VAL A 1 130 ? -10.74045 -16.64074 -27.87858 1.000 53.84166  ? 707 VAL A CA   1 
ATOM   729  C C    . VAL A 1 130 ? -11.57172 -17.72923 -27.20633 1.000 55.41655  ? 707 VAL A C    1 
ATOM   730  O O    . VAL A 1 130 ? -12.80763 -17.69826 -27.24977 1.000 59.04466  ? 707 VAL A O    1 
ATOM   731  C CB   . VAL A 1 130 ? -10.74958 -15.31204 -27.09120 1.000 53.91216  ? 707 VAL A CB   1 
ATOM   732  C CG1  . VAL A 1 130 ? -10.30652 -15.50364 -25.66160 1.000 48.32086  ? 707 VAL A CG1  1 
ATOM   733  C CG2  . VAL A 1 130 ? -9.86744  -14.27306 -27.78081 1.000 50.41924  ? 707 VAL A CG2  1 
ATOM   734  N N    . ALA A 1 131 ? -10.88535 -18.70457 -26.60881 1.000 55.65583  ? 708 ALA A N    1 
ATOM   735  C CA   . ALA A 1 131 ? -11.49531 -19.84781 -25.93405 1.000 59.61964  ? 708 ALA A CA   1 
ATOM   736  C C    . ALA A 1 131 ? -11.20526 -19.78304 -24.43426 1.000 63.03534  ? 708 ALA A C    1 
ATOM   737  O O    . ALA A 1 131 ? -10.03628 -19.76823 -24.02873 1.000 63.44167  ? 708 ALA A O    1 
ATOM   738  C CB   . ALA A 1 131 ? -10.96873 -21.16226 -26.52298 1.000 53.77049  ? 708 ALA A CB   1 
ATOM   739  N N    . HIS A 1 132 ? -12.26515 -19.75472 -23.61866 1.000 67.30598  ? 709 HIS A N    1 
ATOM   740  C CA   . HIS A 1 132 ? -12.16470 -19.71865 -22.16031 1.000 71.08590  ? 709 HIS A CA   1 
ATOM   741  C C    . HIS A 1 132 ? -13.46893 -20.25934 -21.57213 1.000 78.54925  ? 709 HIS A C    1 
ATOM   742  O O    . HIS A 1 132 ? -14.45468 -20.46805 -22.28341 1.000 76.50374  ? 709 HIS A O    1 
ATOM   743  C CB   . HIS A 1 132 ? -11.86725 -18.29138 -21.65734 1.000 73.31841  ? 709 HIS A CB   1 
ATOM   744  C CG   . HIS A 1 132 ? -10.94652 -18.22848 -20.46814 1.000 81.32731  ? 709 HIS A CG   1 
ATOM   745  N ND1  . HIS A 1 132 ? -9.59726  -18.52452 -20.54632 1.000 79.39965  ? 709 HIS A ND1  1 
ATOM   746  C CD2  . HIS A 1 132 ? -11.17954 -17.88112 -19.17692 1.000 81.51001  ? 709 HIS A CD2  1 
ATOM   747  C CE1  . HIS A 1 132 ? -9.04705  -18.37587 -19.35329 1.000 77.73496  ? 709 HIS A CE1  1 
ATOM   748  N NE2  . HIS A 1 132 ? -9.98517  -17.98641 -18.50546 1.000 78.99406  ? 709 HIS A NE2  1 
ATOM   749  N N    . ASP A 1 133 ? -13.46279 -20.49191 -20.26102 1.000 83.61236  ? 710 ASP A N    1 
ATOM   750  C CA   . ASP A 1 133 ? -14.67025 -20.85960 -19.52716 1.000 91.66538  ? 710 ASP A CA   1 
ATOM   751  C C    . ASP A 1 133 ? -15.39278 -19.60249 -19.04257 1.000 96.60662  ? 710 ASP A C    1 
ATOM   752  O O    . ASP A 1 133 ? -14.75711 -18.57812 -18.77476 1.000 93.60643  ? 710 ASP A O    1 
ATOM   753  C CB   . ASP A 1 133 ? -14.31438 -21.77061 -18.34666 1.000 93.49289  ? 710 ASP A CB   1 
ATOM   754  C CG   . ASP A 1 133 ? -13.04059 -21.32808 -17.61898 1.000 92.28607  ? 710 ASP A CG   1 
ATOM   755  O OD1  . ASP A 1 133 ? -12.60490 -20.17584 -17.82151 1.000 91.21141  ? 710 ASP A OD1  1 
ATOM   756  O OD2  . ASP A 1 133 ? -12.46860 -22.13146 -16.84490 1.000 92.80743  ? 710 ASP A OD2  1 
ATOM   757  N N    . ASP A 1 134 ? -16.72776 -19.68282 -18.93761 1.000 107.94331 ? 711 ASP A N    1 
ATOM   758  C CA   . ASP A 1 134 ? -17.54863 -18.51575 -18.60747 1.000 111.91846 ? 711 ASP A CA   1 
ATOM   759  C C    . ASP A 1 134 ? -17.24899 -17.97455 -17.20759 1.000 113.21693 ? 711 ASP A C    1 
ATOM   760  O O    . ASP A 1 134 ? -16.72768 -16.86419 -17.06723 1.000 116.45158 ? 711 ASP A O    1 
ATOM   761  C CB   . ASP A 1 134 ? -19.03806 -18.85430 -18.73980 1.000 111.34594 ? 711 ASP A CB   1 
ATOM   762  N N    . ILE A 1 135 ? -17.58416 -18.73272 -16.16721 1.000 107.02008 ? 712 ILE A N    1 
ATOM   763  C CA   . ILE A 1 135 ? -17.30031 -18.34100 -14.78112 1.000 100.43475 ? 712 ILE A CA   1 
ATOM   764  C C    . ILE A 1 135 ? -18.04193 -19.29940 -13.88583 1.000 100.88780 ? 712 ILE A C    1 
ATOM   765  O O    . ILE A 1 135 ? -19.16883 -19.67199 -14.19807 1.000 104.77459 ? 712 ILE A O    1 
ATOM   766  C CB   . ILE A 1 135 ? -17.70794 -16.88448 -14.46907 1.000 95.97307  ? 712 ILE A CB   1 
ATOM   767  N N    . ASP A 1 144 ? -18.22972 -8.94218  -16.49350 1.000 93.76074  ? 739 ASP A N    1 
ATOM   768  C CA   . ASP A 1 144 ? -17.84446 -9.89549  -17.54482 1.000 90.50792  ? 739 ASP A CA   1 
ATOM   769  C C    . ASP A 1 144 ? -16.74978 -9.31658  -18.44758 1.000 88.55392  ? 739 ASP A C    1 
ATOM   770  O O    . ASP A 1 144 ? -17.04984 -8.64001  -19.43500 1.000 85.55820  ? 739 ASP A O    1 
ATOM   771  C CB   . ASP A 1 144 ? -19.06541 -10.28491 -18.37901 1.000 88.26116  ? 739 ASP A CB   1 
ATOM   772  C CG   . ASP A 1 144 ? -18.75542 -11.35435 -19.42645 1.000 89.02259  ? 739 ASP A CG   1 
ATOM   773  O OD1  . ASP A 1 144 ? -17.58956 -11.80355 -19.51331 1.000 88.02361  ? 739 ASP A OD1  1 
ATOM   774  O OD2  . ASP A 1 144 ? -19.68603 -11.75764 -20.16563 1.000 87.11935  ? 739 ASP A OD2  1 
ATOM   775  N N    . ILE A 1 145 ? -15.48468 -9.59820  -18.11328 1.000 90.73713  ? 740 ILE A N    1 
ATOM   776  C CA   . ILE A 1 145 ? -14.34075 -8.92469  -18.72634 1.000 85.99018  ? 740 ILE A CA   1 
ATOM   777  C C    . ILE A 1 145 ? -14.13608 -9.41166  -20.15496 1.000 84.70234  ? 740 ILE A C    1 
ATOM   778  O O    . ILE A 1 145 ? -13.19131 -8.99219  -20.83392 1.000 84.88944  ? 740 ILE A O    1 
ATOM   779  C CB   . ILE A 1 145 ? -13.06284 -9.13083  -17.89258 1.000 81.67284  ? 740 ILE A CB   1 
ATOM   780  N N    . TYR A 1 146 ? -15.01973 -10.29690 -20.62220 1.000 82.29458  ? 741 TYR A N    1 
ATOM   781  C CA   . TYR A 1 146 ? -14.93569 -10.86031 -21.96631 1.000 80.45535  ? 741 TYR A CA   1 
ATOM   782  C C    . TYR A 1 146 ? -16.16725 -10.52628 -22.80813 1.000 72.44589  ? 741 TYR A C    1 
ATOM   783  O O    . TYR A 1 146 ? -16.38483 -11.12704 -23.87014 1.000 66.03152  ? 741 TYR A O    1 
ATOM   784  C CB   . TYR A 1 146 ? -14.70622 -12.36945 -21.88066 1.000 80.98994  ? 741 TYR A CB   1 
ATOM   785  C CG   . TYR A 1 146 ? -13.29184 -12.71850 -21.42852 1.000 83.08008  ? 741 TYR A CG   1 
ATOM   786  C CD1  . TYR A 1 146 ? -12.23451 -11.83534 -21.64120 1.000 86.72057  ? 741 TYR A CD1  1 
ATOM   787  C CD2  . TYR A 1 146 ? -13.01381 -13.92656 -20.78878 1.000 83.28294  ? 741 TYR A CD2  1 
ATOM   788  C CE1  . TYR A 1 146 ? -10.93189 -12.14747 -21.23513 1.000 91.83038  ? 741 TYR A CE1  1 
ATOM   789  C CE2  . TYR A 1 146 ? -11.72358 -14.25156 -20.38050 1.000 84.36473  ? 741 TYR A CE2  1 
ATOM   790  C CZ   . TYR A 1 146 ? -10.68075 -13.36058 -20.60610 1.000 93.01235  ? 741 TYR A CZ   1 
ATOM   791  O OH   . TYR A 1 146 ? -9.38697  -13.67434 -20.20322 1.000 92.05550  ? 741 TYR A OH   1 
ATOM   792  N N    . ALA A 1 147 ? -16.95156 -9.53968  -22.36203 1.000 78.08004  ? 742 ALA A N    1 
ATOM   793  C CA   . ALA A 1 147 ? -18.14712 -9.11923  -23.08808 1.000 72.89427  ? 742 ALA A CA   1 
ATOM   794  C C    . ALA A 1 147 ? -17.80216 -8.64430  -24.49203 1.000 67.50530  ? 742 ALA A C    1 
ATOM   795  O O    . ALA A 1 147 ? -18.41883 -9.07032  -25.47791 1.000 60.63346  ? 742 ALA A O    1 
ATOM   796  C CB   . ALA A 1 147 ? -18.85285 -8.00801  -22.31257 1.000 69.78177  ? 742 ALA A CB   1 
ATOM   797  N N    . TRP A 1 148 ? -16.81256 -7.75099  -24.59166 1.000 67.24137  ? 743 TRP A N    1 
ATOM   798  C CA   . TRP A 1 148 ? -16.42135 -7.16635  -25.86515 1.000 63.33634  ? 743 TRP A CA   1 
ATOM   799  C C    . TRP A 1 148 ? -16.01279 -8.21029  -26.88014 1.000 59.93579  ? 743 TRP A C    1 
ATOM   800  O O    . TRP A 1 148 ? -16.00044 -7.90479  -28.07592 1.000 59.96794  ? 743 TRP A O    1 
ATOM   801  C CB   . TRP A 1 148 ? -15.26735 -6.18236  -25.67097 1.000 67.79995  ? 743 TRP A CB   1 
ATOM   802  C CG   . TRP A 1 148 ? -13.96212 -6.82961  -25.22081 1.000 71.30668  ? 743 TRP A CG   1 
ATOM   803  C CD1  . TRP A 1 148 ? -13.61672 -7.17549  -23.94236 1.000 73.46572  ? 743 TRP A CD1  1 
ATOM   804  C CD2  . TRP A 1 148 ? -12.83435 -7.18964  -26.04939 1.000 71.30834  ? 743 TRP A CD2  1 
ATOM   805  N NE1  . TRP A 1 148 ? -12.35346 -7.73019  -23.92474 1.000 76.30229  ? 743 TRP A NE1  1 
ATOM   806  C CE2  . TRP A 1 148 ? -11.85108 -7.74806  -25.19949 1.000 70.87616  ? 743 TRP A CE2  1 
ATOM   807  C CE3  . TRP A 1 148 ? -12.56578 -7.10074  -27.42655 1.000 71.48478  ? 743 TRP A CE3  1 
ATOM   808  C CZ2  . TRP A 1 148 ? -10.61390 -8.20958  -25.67738 1.000 69.52779  ? 743 TRP A CZ2  1 
ATOM   809  C CZ3  . TRP A 1 148 ? -11.32915 -7.55291  -27.89998 1.000 70.44152  ? 743 TRP A CZ3  1 
ATOM   810  C CH2  . TRP A 1 148 ? -10.37163 -8.10038  -27.02376 1.000 67.31605  ? 743 TRP A CH2  1 
ATOM   811  N N    . LEU A 1 149 ? -15.64872 -9.41737  -26.43804 1.000 61.67935  ? 744 LEU A N    1 
ATOM   812  C CA   . LEU A 1 149 ? -15.36911 -10.49227 -27.38653 1.000 61.02761  ? 744 LEU A CA   1 
ATOM   813  C C    . LEU A 1 149 ? -16.65783 -11.16230 -27.85285 1.000 59.00740  ? 744 LEU A C    1 
ATOM   814  O O    . LEU A 1 149 ? -16.86243 -11.36821 -29.05657 1.000 59.06163  ? 744 LEU A O    1 
ATOM   815  C CB   . LEU A 1 149 ? -14.42180 -11.51327 -26.76003 1.000 63.27509  ? 744 LEU A CB   1 
ATOM   816  C CG   . LEU A 1 149 ? -12.97490 -11.06058 -26.49474 1.000 64.61826  ? 744 LEU A CG   1 
ATOM   817  C CD1  . LEU A 1 149 ? -12.45640 -11.67524 -25.21841 1.000 70.22069  ? 744 LEU A CD1  1 
ATOM   818  C CD2  . LEU A 1 149 ? -12.04914 -11.43038 -27.62037 1.000 59.31172  ? 744 LEU A CD2  1 
ATOM   819  N N    . LYS A 1 150 ? -17.53998 -11.51053 -26.91219 1.000 59.38798  ? 745 LYS A N    1 
ATOM   820  C CA   . LYS A 1 150 ? -18.86343 -11.98033 -27.29544 1.000 58.01691  ? 745 LYS A CA   1 
ATOM   821  C C    . LYS A 1 150 ? -19.51852 -10.98954 -28.25077 1.000 53.70066  ? 745 LYS A C    1 
ATOM   822  O O    . LYS A 1 150 ? -20.05621 -11.37422 -29.29678 1.000 48.92185  ? 745 LYS A O    1 
ATOM   823  C CB   . LYS A 1 150 ? -19.70825 -12.19667 -26.04031 1.000 58.32656  ? 745 LYS A CB   1 
ATOM   824  C CG   . LYS A 1 150 ? -18.95780 -12.92068 -24.92750 1.000 59.44389  ? 745 LYS A CG   1 
ATOM   825  C CD   . LYS A 1 150 ? -19.86139 -13.30448 -23.75438 1.000 63.09772  ? 745 LYS A CD   1 
ATOM   826  C CE   . LYS A 1 150 ? -19.03574 -13.84382 -22.57286 1.000 65.65980  ? 745 LYS A CE   1 
ATOM   827  N NZ   . LYS A 1 150 ? -19.83161 -14.41181 -21.43620 1.000 64.55842  ? 745 LYS A NZ   1 
ATOM   828  N N    . ARG A 1 151 ? -19.40489 -9.69951  -27.94402 1.000 51.53949  ? 746 ARG A N    1 
ATOM   829  C CA   . ARG A 1 151 ? -19.97274 -8.66867  -28.80349 1.000 54.26709  ? 746 ARG A CA   1 
ATOM   830  C C    . ARG A 1 151 ? -19.51444 -8.80823  -30.24329 1.000 54.23071  ? 746 ARG A C    1 
ATOM   831  O O    . ARG A 1 151 ? -20.24620 -8.46157  -31.17851 1.000 57.15005  ? 746 ARG A O    1 
ATOM   832  C CB   . ARG A 1 151 ? -19.58080 -7.29845  -28.28882 1.000 54.47266  ? 746 ARG A CB   1 
ATOM   833  C CG   . ARG A 1 151 ? -20.57921 -6.24617  -28.58033 1.000 56.38692  ? 746 ARG A CG   1 
ATOM   834  C CD   . ARG A 1 151 ? -20.90167 -5.52880  -27.28054 1.000 62.45780  ? 746 ARG A CD   1 
ATOM   835  N NE   . ARG A 1 151 ? -19.66707 -5.11529  -26.62027 1.000 69.69668  ? 746 ARG A NE   1 
ATOM   836  C CZ   . ARG A 1 151 ? -19.54480 -4.88101  -25.31890 1.000 73.35212  ? 746 ARG A CZ   1 
ATOM   837  N NH1  . ARG A 1 151 ? -20.58261 -4.98078  -24.49707 1.000 74.75235  ? 746 ARG A NH1  1 
ATOM   838  N NH2  . ARG A 1 151 ? -18.34867 -4.55217  -24.82746 1.000 70.63452  ? 746 ARG A NH2  1 
ATOM   839  N N    . ALA A 1 152 ? -18.29554 -9.28077  -30.44277 1.000 52.04675  ? 747 ALA A N    1 
ATOM   840  C CA   . ALA A 1 152 ? -17.70739 -9.35138  -31.76537 1.000 56.58973  ? 747 ALA A CA   1 
ATOM   841  C C    . ALA A 1 152 ? -17.80919 -10.74361 -32.37507 1.000 54.53141  ? 747 ALA A C    1 
ATOM   842  O O    . ALA A 1 152 ? -17.16557 -11.00620 -33.39403 1.000 55.12262  ? 747 ALA A O    1 
ATOM   843  C CB   . ALA A 1 152 ? -16.24967 -8.89911  -31.70103 1.000 56.26257  ? 747 ALA A CB   1 
ATOM   844  N N    . GLY A 1 153 ? -18.60868 -11.63479 -31.77881 1.000 55.83108  ? 748 GLY A N    1 
ATOM   845  C CA   . GLY A 1 153 ? -18.72497 -13.00333 -32.25021 1.000 48.94583  ? 748 GLY A CA   1 
ATOM   846  C C    . GLY A 1 153 ? -17.42953 -13.77610 -32.08537 1.000 56.23108  ? 748 GLY A C    1 
ATOM   847  O O    . GLY A 1 153 ? -17.30190 -14.89902 -32.58319 1.000 53.89968  ? 748 GLY A O    1 
ATOM   848  N N    . LYS A 1 154 ? -16.45906 -13.19434 -31.38117 1.000 53.30149  ? 749 LYS A N    1 
ATOM   849  C CA   . LYS A 1 154 ? -15.13605 -13.78356 -31.28897 1.000 56.52274  ? 749 LYS A CA   1 
ATOM   850  C C    . LYS A 1 154 ? -14.91787 -14.56182 -30.00001 1.000 62.24631  ? 749 LYS A C    1 
ATOM   851  O O    . LYS A 1 154 ? -13.77427 -14.94713 -29.71554 1.000 61.52083  ? 749 LYS A O    1 
ATOM   852  C CB   . LYS A 1 154 ? -14.05820 -12.70819 -31.41571 1.000 56.46031  ? 749 LYS A CB   1 
ATOM   853  C CG   . LYS A 1 154 ? -13.78903 -12.21593 -32.82757 1.000 59.86593  ? 749 LYS A CG   1 
ATOM   854  C CD   . LYS A 1 154 ? -12.58888 -11.26404 -32.79791 1.000 66.69805  ? 749 LYS A CD   1 
ATOM   855  C CE   . LYS A 1 154 ? -12.02136 -10.96304 -34.17656 1.000 73.46175  ? 749 LYS A CE   1 
ATOM   856  N NZ   . LYS A 1 154 ? -13.01082 -10.26399 -35.04578 1.000 71.99093  ? 749 LYS A NZ   1 
ATOM   857  N N    . PHE A 1 155 ? -15.96408 -14.79712 -29.20434 1.000 60.05701  ? 750 PHE A N    1 
ATOM   858  C CA   . PHE A 1 155 ? -15.81284 -15.54220 -27.96014 1.000 58.00671  ? 750 PHE A CA   1 
ATOM   859  C C    . PHE A 1 155 ? -16.47263 -16.90450 -28.07978 1.000 58.21217  ? 750 PHE A C    1 
ATOM   860  O O    . PHE A 1 155 ? -17.68374 -16.98652 -28.28998 1.000 58.90724  ? 750 PHE A O    1 
ATOM   861  C CB   . PHE A 1 155 ? -16.40304 -14.81186 -26.76121 1.000 58.46111  ? 750 PHE A CB   1 
ATOM   862  C CG   . PHE A 1 155 ? -16.28762 -15.60378 -25.50777 1.000 60.67350  ? 750 PHE A CG   1 
ATOM   863  C CD1  . PHE A 1 155 ? -17.22771 -16.55963 -25.19503 1.000 62.72497  ? 750 PHE A CD1  1 
ATOM   864  C CD2  . PHE A 1 155 ? -15.19001 -15.46289 -24.68723 1.000 64.73914  ? 750 PHE A CD2  1 
ATOM   865  C CE1  . PHE A 1 155 ? -17.10536 -17.32485 -24.06529 1.000 62.97995  ? 750 PHE A CE1  1 
ATOM   866  C CE2  . PHE A 1 155 ? -15.06245 -16.23069 -23.55157 1.000 68.93391  ? 750 PHE A CE2  1 
ATOM   867  C CZ   . PHE A 1 155 ? -16.02918 -17.16193 -23.23990 1.000 66.65643  ? 750 PHE A CZ   1 
ATOM   868  N N    . LYS A 1 156 ? -15.67989 -17.96043 -27.89541 1.000 60.99872  ? 751 LYS A N    1 
ATOM   869  C CA   . LYS A 1 156 ? -16.15056 -19.33709 -27.85387 1.000 57.42134  ? 751 LYS A CA   1 
ATOM   870  C C    . LYS A 1 156 ? -15.82883 -19.92095 -26.48063 1.000 61.83816  ? 751 LYS A C    1 
ATOM   871  O O    . LYS A 1 156 ? -14.68837 -19.84071 -26.02116 1.000 61.04771  ? 751 LYS A O    1 
ATOM   872  C CB   . LYS A 1 156 ? -15.51403 -20.16016 -28.97832 1.000 55.08980  ? 751 LYS A CB   1 
ATOM   873  C CG   . LYS A 1 156 ? -16.06779 -19.87283 -30.42331 1.000 56.64384  ? 751 LYS A CG   1 
ATOM   874  C CD   . LYS A 1 156 ? -17.45436 -20.52244 -30.71088 1.000 52.49912  ? 751 LYS A CD   1 
ATOM   875  C CE   . LYS A 1 156 ? -17.72108 -20.84248 -32.22109 1.000 54.60242  ? 751 LYS A CE   1 
ATOM   876  N NZ   . LYS A 1 156 ? -18.36455 -19.75238 -33.11587 1.000 54.34099  ? 751 LYS A NZ   1 
ATOM   877  N N    . ALA A 1 157 ? -16.83120 -20.51107 -25.82868 1.000 64.33990  ? 752 ALA A N    1 
ATOM   878  C CA   . ALA A 1 157 ? -16.74294 -20.91073 -24.42665 1.000 68.08783  ? 752 ALA A CA   1 
ATOM   879  C C    . ALA A 1 157 ? -16.42089 -22.39536 -24.27961 1.000 73.05421  ? 752 ALA A C    1 
ATOM   880  O O    . ALA A 1 157 ? -17.03757 -23.23317 -24.94073 1.000 74.78264  ? 752 ALA A O    1 
ATOM   881  C CB   . ALA A 1 157 ? -18.05343 -20.59781 -23.70672 1.000 61.12141  ? 752 ALA A CB   1 
ATOM   882  N N    . THR A 1 158 ? -15.48027 -22.71620 -23.38513 1.000 76.91217  ? 753 THR A N    1 
ATOM   883  C CA   . THR A 1 158 ? -15.09151 -24.08815 -23.06099 1.000 77.34110  ? 753 THR A CA   1 
ATOM   884  C C    . THR A 1 158 ? -15.28767 -24.35509 -21.56805 1.000 82.43115  ? 753 THR A C    1 
ATOM   885  O O    . THR A 1 158 ? -15.19787 -23.43633 -20.73666 1.000 81.98858  ? 753 THR A O    1 
ATOM   886  C CB   . THR A 1 158 ? -13.61342 -24.37183 -23.43607 1.000 76.44128  ? 753 THR A CB   1 
ATOM   887  O OG1  . THR A 1 158 ? -12.75343 -23.47053 -22.72408 1.000 76.49889  ? 753 THR A OG1  1 
ATOM   888  C CG2  . THR A 1 158 ? -13.38649 -24.21654 -24.93856 1.000 73.85972  ? 753 THR A CG2  1 
ATOM   889  N N    . GLN A 1 159 ? -15.53017 -25.62970 -21.22881 1.000 81.88018  ? 754 GLN A N    1 
ATOM   890  C CA   . GLN A 1 159 ? -15.89066 -26.05751 -19.87877 1.000 85.02583  ? 754 GLN A CA   1 
ATOM   891  C C    . GLN A 1 159 ? -14.77159 -26.88695 -19.24439 1.000 89.17410  ? 754 GLN A C    1 
ATOM   892  O O    . GLN A 1 159 ? -13.74100 -27.17339 -19.86260 1.000 85.66156  ? 754 GLN A O    1 
ATOM   893  C CB   . GLN A 1 159 ? -17.20200 -26.84616 -19.89919 1.000 80.82535  ? 754 GLN A CB   1 
ATOM   894  C CG   . GLN A 1 159 ? -18.40199 -26.05252 -20.40100 1.000 82.89851  ? 754 GLN A CG   1 
ATOM   895  C CD   . GLN A 1 159 ? -18.44833 -25.93787 -21.91036 1.000 78.52942  ? 754 GLN A CD   1 
ATOM   896  O OE1  . GLN A 1 159 ? -18.27771 -26.92495 -22.61987 1.000 79.16628  ? 754 GLN A OE1  1 
ATOM   897  N NE2  . GLN A 1 159 ? -18.67996 -24.72800 -22.40855 1.000 77.07801  ? 754 GLN A NE2  1 
ATOM   898  N N    . ARG A 1 160 ? -15.00197 -27.28681 -17.99255 1.000 94.96975  ? 755 ARG A N    1 
ATOM   899  C CA   . ARG A 1 160 ? -14.03301 -27.97443 -17.14572 1.000 94.66877  ? 755 ARG A CA   1 
ATOM   900  C C    . ARG A 1 160 ? -14.52045 -29.38676 -16.81969 1.000 98.41809  ? 755 ARG A C    1 
ATOM   901  O O    . ARG A 1 160 ? -15.51452 -29.87351 -17.36928 1.000 97.08869  ? 755 ARG A O    1 
ATOM   902  C CB   . ARG A 1 160 ? -13.79004 -27.17576 -15.86157 1.000 93.94386  ? 755 ARG A CB   1 
ATOM   903  N N    . THR A 1 161 ? -13.79586 -30.04949 -15.91800 1.000 100.40569 ? 756 THR A N    1 
ATOM   904  C CA   . THR A 1 161 ? -14.23694 -31.32722 -15.35625 1.000 105.38717 ? 756 THR A CA   1 
ATOM   905  C C    . THR A 1 161 ? -13.84161 -31.46058 -13.88785 1.000 111.53456 ? 756 THR A C    1 
ATOM   906  O O    . THR A 1 161 ? -12.70702 -31.15708 -13.51507 1.000 112.06327 ? 756 THR A O    1 
ATOM   907  C CB   . THR A 1 161 ? -13.66321 -32.51846 -16.12417 1.000 102.05004 ? 756 THR A CB   1 
ATOM   908  O OG1  . THR A 1 161 ? -14.02051 -32.40393 -17.50576 1.000 99.49155  ? 756 THR A OG1  1 
ATOM   909  C CG2  . THR A 1 161 ? -14.21626 -33.83015 -15.55313 1.000 102.34021 ? 756 THR A CG2  1 
ATOM   910  N N    . VAL A 1 164 ? -11.06079 -34.52775 -10.87381 1.000 110.04283 ? 759 VAL A N    1 
ATOM   911  C CA   . VAL A 1 164 ? -10.12555 -34.83112 -11.95168 1.000 112.64216 ? 759 VAL A CA   1 
ATOM   912  C C    . VAL A 1 164 ? -8.81266  -34.05269 -11.78252 1.000 115.65187 ? 759 VAL A C    1 
ATOM   913  O O    . VAL A 1 164 ? -7.97304  -34.03617 -12.68432 1.000 107.95073 ? 759 VAL A O    1 
ATOM   914  C CB   . VAL A 1 164 ? -10.75292 -34.53652 -13.34504 1.000 107.00288 ? 759 VAL A CB   1 
ATOM   915  C CG1  . VAL A 1 164 ? -12.21706 -34.95537 -13.38857 1.000 106.49370 ? 759 VAL A CG1  1 
ATOM   916  C CG2  . VAL A 1 164 ? -10.59011 -33.06072 -13.72236 1.000 104.70023 ? 759 VAL A CG2  1 
ATOM   917  N N    . SER A 1 165 ? -8.63395  -33.41284 -10.62860 1.000 123.19194 ? 760 SER A N    1 
ATOM   918  C CA   . SER A 1 165 ? -7.46906  -32.57831 -10.36270 1.000 124.09097 ? 760 SER A CA   1 
ATOM   919  C C    . SER A 1 165 ? -6.43776  -33.32515 -9.52253  1.000 124.69681 ? 760 SER A C    1 
ATOM   920  O O    . SER A 1 165 ? -6.74406  -34.28969 -8.81747  1.000 125.57178 ? 760 SER A O    1 
ATOM   921  C CB   . SER A 1 165 ? -7.87843  -31.27881 -9.65345  1.000 132.41885 ? 760 SER A CB   1 
ATOM   922  O OG   . SER A 1 165 ? -6.75560  -30.45865 -9.36239  1.000 133.72102 ? 760 SER A OG   1 
ATOM   923  N N    . THR A 1 166 ? -5.19453  -32.85541 -9.61954  1.000 110.30248 ? 761 THR A N    1 
ATOM   924  C CA   . THR A 1 166 ? -4.09397  -33.37160 -8.81582  1.000 106.16143 ? 761 THR A CA   1 
ATOM   925  C C    . THR A 1 166 ? -4.48872  -33.54466 -7.35800  1.000 104.90957 ? 761 THR A C    1 
ATOM   926  O O    . THR A 1 166 ? -4.41868  -34.64492 -6.79933  1.000 102.55596 ? 761 THR A O    1 
ATOM   927  C CB   . THR A 1 166 ? -2.90325  -32.41774 -8.91664  1.000 104.04791 ? 761 THR A CB   1 
ATOM   928  O OG1  . THR A 1 166 ? -2.09068  -32.55795 -7.74977  1.000 101.60339 ? 761 THR A OG1  1 
ATOM   929  C CG2  . THR A 1 166 ? -3.38221  -30.96778 -9.01212  1.000 101.49580 ? 761 THR A CG2  1 
ATOM   930  N N    . THR A 1 167 ? -4.87099  -32.43507 -6.72515  1.000 104.13004 ? 762 THR A N    1 
ATOM   931  C CA   . THR A 1 167 ? -5.39261  -32.46109 -5.36649  1.000 101.14400 ? 762 THR A CA   1 
ATOM   932  C C    . THR A 1 167 ? -6.30048  -33.66838 -5.12398  1.000 99.63623  ? 762 THR A C    1 
ATOM   933  O O    . THR A 1 167 ? -6.12861  -34.39772 -4.14093  1.000 97.50518  ? 762 THR A O    1 
ATOM   934  C CB   . THR A 1 167 ? -6.12596  -31.14183 -5.09251  1.000 105.62132 ? 762 THR A CB   1 
ATOM   935  O OG1  . THR A 1 167 ? -7.10003  -31.33381 -4.06180  1.000 103.34054 ? 762 THR A OG1  1 
ATOM   936  C CG2  . THR A 1 167 ? -6.80731  -30.61312 -6.36203  1.000 106.76947 ? 762 THR A CG2  1 
ATOM   937  N N    . ASP A 1 168 ? -7.26027  -33.91084 -6.02646  1.000 104.55403 ? 763 ASP A N    1 
ATOM   938  C CA   . ASP A 1 168 ? -8.13104  -35.07706 -5.89003  1.000 101.24183 ? 763 ASP A CA   1 
ATOM   939  C C    . ASP A 1 168 ? -7.33519  -36.34905 -5.64086  1.000 97.71624  ? 763 ASP A C    1 
ATOM   940  O O    . ASP A 1 168 ? -7.77853  -37.22983 -4.89178  1.000 92.37732  ? 763 ASP A O    1 
ATOM   941  C CB   . ASP A 1 168 ? -8.98075  -35.25952 -7.14960  1.000 107.22520 ? 763 ASP A CB   1 
ATOM   942  C CG   . ASP A 1 168 ? -9.71182  -33.99918 -7.55520  1.000 109.17782 ? 763 ASP A CG   1 
ATOM   943  O OD1  . ASP A 1 168 ? -9.66189  -33.00325 -6.79896  1.000 109.49410 ? 763 ASP A OD1  1 
ATOM   944  O OD2  . ASP A 1 168 ? -10.33434 -34.01179 -8.63916  1.000 107.00648 ? 763 ASP A OD2  1 
ATOM   945  N N    . LEU A 1 169 ? -6.15440  -36.45518 -6.25560  1.000 97.48968  ? 764 LEU A N    1 
ATOM   946  C CA   . LEU A 1 169 ? -5.39786  -37.70103 -6.24731  1.000 91.54869  ? 764 LEU A CA   1 
ATOM   947  C C    . LEU A 1 169 ? -4.74202  -37.95806 -4.89981  1.000 90.81332  ? 764 LEU A C    1 
ATOM   948  O O    . LEU A 1 169 ? -4.78636  -39.08726 -4.40081  1.000 92.67099  ? 764 LEU A O    1 
ATOM   949  C CB   . LEU A 1 169 ? -4.34633  -37.68624 -7.35619  1.000 89.95376  ? 764 LEU A CB   1 
ATOM   950  N N    . ILE A 1 170 ? -4.12762  -36.93427 -4.29850  1.000 90.96828  ? 765 ILE A N    1 
ATOM   951  C CA   . ILE A 1 170 ? -3.52439  -37.10178 -2.97609  1.000 89.42629  ? 765 ILE A CA   1 
ATOM   952  C C    . ILE A 1 170 ? -4.55067  -37.61274 -1.97497  1.000 90.53474  ? 765 ILE A C    1 
ATOM   953  O O    . ILE A 1 170 ? -4.23029  -38.39335 -1.07108  1.000 90.01147  ? 765 ILE A O    1 
ATOM   954  C CB   . ILE A 1 170 ? -2.91063  -35.77930 -2.49808  1.000 87.39048  ? 765 ILE A CB   1 
ATOM   955  C CG1  . ILE A 1 170 ? -1.90207  -35.27698 -3.51353  1.000 89.30948  ? 765 ILE A CG1  1 
ATOM   956  C CG2  . ILE A 1 170 ? -2.23940  -35.97647 -1.14900  1.000 86.17537  ? 765 ILE A CG2  1 
ATOM   957  C CD1  . ILE A 1 170 ? -0.61976  -36.05740 -3.49103  1.000 85.26226  ? 765 ILE A CD1  1 
ATOM   958  N N    . VAL A 1 171 ? -5.79048  -37.14883 -2.09223  1.000 89.00147  ? 766 VAL A N    1 
ATOM   959  C CA   . VAL A 1 171 ? -6.85173  -37.67789 -1.24609  1.000 91.24640  ? 766 VAL A CA   1 
ATOM   960  C C    . VAL A 1 171 ? -6.94074  -39.18854 -1.40334  1.000 92.83965  ? 766 VAL A C    1 
ATOM   961  O O    . VAL A 1 171 ? -6.99248  -39.93760 -0.41978  1.000 95.02527  ? 766 VAL A O    1 
ATOM   962  C CB   . VAL A 1 171 ? -8.18650  -36.99207 -1.58011  1.000 92.89303  ? 766 VAL A CB   1 
ATOM   963  C CG1  . VAL A 1 171 ? -9.31348  -37.60025 -0.75923  1.000 90.96867  ? 766 VAL A CG1  1 
ATOM   964  C CG2  . VAL A 1 171 ? -8.06916  -35.48832 -1.34722  1.000 91.19043  ? 766 VAL A CG2  1 
ATOM   965  N N    . ARG A 1 172 ? -6.95268  -39.66010 -2.64863  1.000 93.60443  ? 767 ARG A N    1 
ATOM   966  C CA   . ARG A 1 172 ? -7.03004  -41.09535 -2.87504  1.000 93.85469  ? 767 ARG A CA   1 
ATOM   967  C C    . ARG A 1 172 ? -5.80249  -41.81192 -2.32252  1.000 91.44081  ? 767 ARG A C    1 
ATOM   968  O O    . ARG A 1 172 ? -5.90514  -42.96328 -1.88515  1.000 94.87122  ? 767 ARG A O    1 
ATOM   969  C CB   . ARG A 1 172 ? -7.23354  -41.36535 -4.36600  1.000 90.49629  ? 767 ARG A CB   1 
ATOM   970  C CG   . ARG A 1 172 ? -8.30198  -40.47198 -4.96956  1.000 89.30989  ? 767 ARG A CG   1 
ATOM   971  C CD   . ARG A 1 172 ? -9.11774  -41.20678 -6.02435  1.000 92.89716  ? 767 ARG A CD   1 
ATOM   972  N NE   . ARG A 1 172 ? -8.28996  -41.69157 -7.12283  1.000 85.23516  ? 767 ARG A NE   1 
ATOM   973  C CZ   . ARG A 1 172 ? -8.75608  -42.14179 -8.28320  1.000 85.53879  ? 767 ARG A CZ   1 
ATOM   974  N NH1  . ARG A 1 172 ? -10.05489 -42.19438 -8.53801  1.000 88.83719  ? 767 ARG A NH1  1 
ATOM   975  N NH2  . ARG A 1 172 ? -7.89541  -42.54792 -9.21490  1.000 85.21083  ? 767 ARG A NH2  1 
ATOM   976  N N    . ILE A 1 173 ? -4.64858  -41.14340 -2.29890  1.000 91.55115  ? 768 ILE A N    1 
ATOM   977  C CA   . ILE A 1 173 ? -3.47057  -41.72744 -1.66270  1.000 91.35402  ? 768 ILE A CA   1 
ATOM   978  C C    . ILE A 1 173 ? -3.65525  -41.76932 -0.14826  1.000 97.60949  ? 768 ILE A C    1 
ATOM   979  O O    . ILE A 1 173 ? -3.42766  -42.80212 0.49196   1.000 100.78849 ? 768 ILE A O    1 
ATOM   980  C CB   . ILE A 1 173 ? -2.19537  -40.95835 -2.05976  1.000 85.03856  ? 768 ILE A CB   1 
ATOM   981  N N    . LEU A 1 174 ? -4.09880  -40.65789 0.44683   1.000 95.40644  ? 769 LEU A N    1 
ATOM   982  C CA   . LEU A 1 174 ? -4.24044  -40.59617 1.89739   1.000 96.59258  ? 769 LEU A CA   1 
ATOM   983  C C    . LEU A 1 174 ? -5.49555  -41.29590 2.40116   1.000 103.78274 ? 769 LEU A C    1 
ATOM   984  O O    . LEU A 1 174 ? -5.57555  -41.60999 3.59290   1.000 105.87962 ? 769 LEU A O    1 
ATOM   985  C CB   . LEU A 1 174 ? -4.24801  -39.14172 2.36416   1.000 94.72364  ? 769 LEU A CB   1 
ATOM   986  C CG   . LEU A 1 174 ? -3.12331  -38.28707 1.78606   1.000 89.86863  ? 769 LEU A CG   1 
ATOM   987  C CD1  . LEU A 1 174 ? -3.12044  -36.90570 2.41270   1.000 89.63595  ? 769 LEU A CD1  1 
ATOM   988  C CD2  . LEU A 1 174 ? -1.78809  -38.97385 1.98155   1.000 85.49011  ? 769 LEU A CD2  1 
ATOM   989  N N    . LYS A 1 175 ? -6.47792  -41.54215 1.52989   1.000 107.79530 ? 770 LYS A N    1 
ATOM   990  C CA   . LYS A 1 175 ? -7.66882  -42.26111 1.96450   1.000 108.82782 ? 770 LYS A CA   1 
ATOM   991  C C    . LYS A 1 175 ? -7.30435  -43.61792 2.55324   1.000 112.29200 ? 770 LYS A C    1 
ATOM   992  O O    . LYS A 1 175 ? -8.00978  -44.12586 3.43507   1.000 118.04157 ? 770 LYS A O    1 
ATOM   993  C CB   . LYS A 1 175 ? -8.64439  -42.42184 0.79919   1.000 106.88539 ? 770 LYS A CB   1 
ATOM   994  N N    . ASN A 1 176 ? -6.18115  -44.20348 2.10096   1.000 108.74908 ? 771 ASN A N    1 
ATOM   995  C CA   . ASN A 1 176 ? -5.56749  -45.47061 2.53375   1.000 109.84956 ? 771 ASN A CA   1 
ATOM   996  C C    . ASN A 1 176 ? -5.12475  -45.46612 4.00570   1.000 110.29565 ? 771 ASN A C    1 
ATOM   997  O O    . ASN A 1 176 ? -4.45167  -46.46038 4.39349   1.000 108.65071 ? 771 ASN A O    1 
ATOM   998  C CB   . ASN A 1 176 ? -4.36488  -45.80413 1.64236   1.000 107.58209 ? 771 ASN A CB   1 
ATOM   999  C CG   . ASN A 1 176 ? -4.52744  -47.12480 0.89786   1.000 112.63238 ? 771 ASN A CG   1 
ATOM   1000 O OD1  . ASN A 1 176 ? -5.24911  -47.21165 -0.10036  1.000 111.07206 ? 771 ASN A OD1  1 
ATOM   1001 N ND2  . ASN A 1 176 ? -3.83250  -48.15744 1.37278   1.000 113.19221 ? 771 ASN A ND2  1 
ATOM   1002 N N    . TYR A 1 177 ? -5.46805  -44.42178 4.77829   1.000 110.77648 ? 772 TYR A N    1 
ATOM   1003 C CA   . TYR A 1 177 ? -5.02548  -44.27252 6.16901   1.000 107.76487 ? 772 TYR A CA   1 
ATOM   1004 C C    . TYR A 1 177 ? -6.04078  -43.39324 6.90291   1.000 111.88609 ? 772 TYR A C    1 
ATOM   1005 O O    . TYR A 1 177 ? -5.97418  -42.16182 6.80918   1.000 111.69480 ? 772 TYR A O    1 
ATOM   1006 C CB   . TYR A 1 177 ? -3.62720  -43.66710 6.23699   1.000 103.64388 ? 772 TYR A CB   1 
ATOM   1007 C CG   . TYR A 1 177 ? -2.65353  -44.20901 5.20594   1.000 102.38925 ? 772 TYR A CG   1 
ATOM   1008 C CD1  . TYR A 1 177 ? -1.85348  -45.30506 5.48967   1.000 102.15372 ? 772 TYR A CD1  1 
ATOM   1009 C CD2  . TYR A 1 177 ? -2.54422  -43.62671 3.94701   1.000 99.85890  ? 772 TYR A CD2  1 
ATOM   1010 C CE1  . TYR A 1 177 ? -0.97311  -45.80469 4.56047   1.000 101.47207 ? 772 TYR A CE1  1 
ATOM   1011 C CE2  . TYR A 1 177 ? -1.66578  -44.11867 3.01332   1.000 98.79781  ? 772 TYR A CE2  1 
ATOM   1012 C CZ   . TYR A 1 177 ? -0.88205  -45.21122 3.32426   1.000 100.24097 ? 772 TYR A CZ   1 
ATOM   1013 O OH   . TYR A 1 177 ? 0.00054   -45.72189 2.39887   1.000 97.96511  ? 772 TYR A OH   1 
ATOM   1014 N N    . GLU A 1 178 ? -6.96068  -44.02745 7.63528   1.000 113.42590 ? 773 GLU A N    1 
ATOM   1015 C CA   . GLU A 1 178 ? -7.97512  -43.33442 8.44278   1.000 110.33733 ? 773 GLU A CA   1 
ATOM   1016 C C    . GLU A 1 178 ? -8.43419  -42.00518 7.83976   1.000 111.15516 ? 773 GLU A C    1 
ATOM   1017 O O    . GLU A 1 178 ? -8.74858  -41.91899 6.65202   1.000 111.21771 ? 773 GLU A O    1 
ATOM   1018 C CB   . GLU A 1 178 ? -7.45126  -43.09324 9.86168   1.000 103.19893 ? 773 GLU A CB   1 
HETATM 1019 O O01  . XFV B 2 .   ? -15.90209 -13.53808 -38.24681 1.000 73.36943  ? 801 XFV A O01  1 
HETATM 1020 S S02  . XFV B 2 .   ? -14.73812 -13.93705 -37.54483 1.000 92.90284  ? 801 XFV A S02  1 
HETATM 1021 O O03  . XFV B 2 .   ? -13.52111 -14.15784 -38.26600 1.000 81.65582  ? 801 XFV A O03  1 
HETATM 1022 C C04  . XFV B 2 .   ? -14.48913 -13.04704 -36.09928 1.000 78.14690  ? 801 XFV A C04  1 
HETATM 1023 C C05  . XFV B 2 .   ? -15.43541 -14.03672 -35.31753 1.000 68.74765  ? 801 XFV A C05  1 
HETATM 1024 C C06  . XFV B 2 .   ? -15.08910 -15.14570 -36.35810 1.000 72.50152  ? 801 XFV A C06  1 
HETATM 1025 H H042 . XFV B 2 .   ? -13.46887 -12.97212 -35.67894 1.000 93.83964  ? 801 XFV A H042 1 
HETATM 1026 H H041 . XFV B 2 .   ? -14.80712 -11.98872 -36.05390 1.000 93.83964  ? 801 XFV A H041 1 
HETATM 1027 H H052 . XFV B 2 .   ? -15.13844 -14.25308 -34.28071 1.000 82.56054  ? 801 XFV A H052 1 
HETATM 1028 H H051 . XFV B 2 .   ? -16.49456 -13.74264 -35.27605 1.000 82.56054  ? 801 XFV A H051 1 
HETATM 1029 H H062 . XFV B 2 .   ? -14.28671 -15.83405 -36.03316 1.000 87.06519  ? 801 XFV A H062 1 
HETATM 1030 H H061 . XFV B 2 .   ? -15.91052 -15.86291 -36.54282 1.000 87.06519  ? 801 XFV A H061 1 
HETATM 1031 O O01  . XFV C 2 .   ? -7.55785  -14.99635 -17.57588 1.000 86.68525  ? 802 XFV A O01  1 
HETATM 1032 S S02  . XFV C 2 .   ? -6.22079  -15.38670 -17.30076 1.000 86.45041  ? 802 XFV A S02  1 
HETATM 1033 O O03  . XFV C 2 .   ? -5.14272  -14.44917 -17.42709 1.000 83.70440  ? 802 XFV A O03  1 
HETATM 1034 C C04  . XFV C 2 .   ? -6.08931  -16.31793 -15.89393 1.000 75.84518  ? 802 XFV A C04  1 
HETATM 1035 C C05  . XFV C 2 .   ? -6.19478  -17.62502 -16.70961 1.000 76.04845  ? 802 XFV A C05  1 
HETATM 1036 C C06  . XFV C 2 .   ? -5.79636  -16.87006 -18.02112 1.000 75.88154  ? 802 XFV A C06  1 
HETATM 1037 H H042 . XFV C 2 .   ? -5.16892  -16.24565 -15.28493 1.000 91.07757  ? 802 XFV A H042 1 
HETATM 1038 H H041 . XFV C 2 .   ? -6.86211  -16.21885 -15.10895 1.000 91.07757  ? 802 XFV A H041 1 
HETATM 1039 H H052 . XFV C 2 .   ? -5.49953  -18.42028 -16.40273 1.000 91.32150  ? 802 XFV A H052 1 
HETATM 1040 H H051 . XFV C 2 .   ? -7.19472  -18.08321 -16.72368 1.000 91.32150  ? 802 XFV A H051 1 
HETATM 1041 H H062 . XFV C 2 .   ? -4.75058  -17.03811 -18.33947 1.000 91.12121  ? 802 XFV A H062 1 
HETATM 1042 H H061 . XFV C 2 .   ? -6.34076  -17.21036 -18.92171 1.000 91.12121  ? 802 XFV A H061 1 
HETATM 1043 O O    . HOH D 3 .   ? 10.40552  -19.98042 -16.15954 1.000 56.69399  ? 901 HOH A O    1 
HETATM 1044 O O    . HOH D 3 .   ? -8.65562  -6.81423  -32.68938 1.000 65.34084  ? 902 HOH A O    1 
HETATM 1045 O O    . HOH D 3 .   ? -8.73978  -37.33515 -31.34076 1.000 58.41190  ? 903 HOH A O    1 
HETATM 1046 O O    . HOH D 3 .   ? -9.95953  -9.36073  -22.35964 1.000 69.07770  ? 904 HOH A O    1 
HETATM 1047 O O    . HOH D 3 .   ? -5.41289  -22.56887 -16.29981 1.000 56.71296  ? 905 HOH A O    1 
HETATM 1048 O O    . HOH D 3 .   ? -18.176   -28.345   -31.892   1.000 61.74190  ? 906 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . LYS A 39  ? 1.19402 1.65225 1.06907 0.06321  -0.17680 -0.07786 616 LYS A N   
2    C CA  . LYS A 39  ? 1.12861 1.46139 1.05957 0.04342  -0.19561 -0.09152 616 LYS A CA  
3    C C   . LYS A 39  ? 1.08542 1.38269 1.05088 0.04789  -0.16075 -0.09700 616 LYS A C   
4    O O   . LYS A 39  ? 1.08536 1.28997 1.09413 0.03482  -0.17177 -0.10479 616 LYS A O   
5    C CB  . LYS A 39  ? 1.21127 1.46182 1.08261 0.07095  -0.25274 -0.14970 616 LYS A CB  
6    C CG  . LYS A 39  ? 1.21334 1.34687 1.15561 0.03713  -0.28585 -0.14542 616 LYS A CG  
7    C CD  . LYS A 39  ? 1.22594 1.26061 1.11167 0.06897  -0.34115 -0.20751 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.32701 1.37847 1.10299 0.10766  -0.38511 -0.25357 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.41335 1.37455 1.10798 0.16012  -0.43265 -0.32896 616 LYS A NZ  
10   N N   . ASN A 40  ? 1.00905 1.38545 0.95875 0.06345  -0.12137 -0.08681 617 ASN A N   
11   C CA  . ASN A 40  ? 0.92493 1.27218 0.89817 0.06924  -0.09284 -0.09296 617 ASN A CA  
12   C C   . ASN A 40  ? 0.87792 1.21740 0.92986 0.02285  -0.06462 -0.04256 617 ASN A C   
13   O O   . ASN A 40  ? 0.87973 1.28956 0.95123 0.00042  -0.04996 0.00042  617 ASN A O   
14   C CB  . ASN A 40  ? 0.91497 1.34965 0.83337 0.11287  -0.07008 -0.10877 617 ASN A CB  
15   C CG  . ASN A 40  ? 0.88306 1.26745 0.80766 0.13200  -0.05684 -0.13298 617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.84798 1.19450 0.82847 0.09918  -0.03843 -0.10741 617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.93374 1.31232 0.79671 0.18887  -0.06939 -0.18464 617 ASN A ND2 
18   N N   . VAL A 41  ? 0.74830 1.00156 0.84168 0.01102  -0.05994 -0.04751 618 VAL A N   
19   C CA  . VAL A 41  ? 0.68348 0.90994 0.84254 -0.02353 -0.03734 -0.01050 618 VAL A CA  
20   C C   . VAL A 41  ? 0.62617 0.85054 0.77880 -0.01612 -0.00969 -0.01457 618 VAL A C   
21   O O   . VAL A 41  ? 0.66859 0.86452 0.79355 0.00918  -0.01148 -0.04659 618 VAL A O   
22   C CB  . VAL A 41  ? 0.67585 0.82269 0.88527 -0.03882 -0.04901 -0.00737 618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.58317 0.70874 0.85218 -0.06152 -0.02163 0.02579  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.71522 0.86106 0.93041 -0.04698 -0.08572 -0.00446 618 VAL A CG2 
25   N N   . VAL A 42  ? 0.53191 0.77864 0.70994 -0.03873 0.00919  0.01808  619 VAL A N   
26   C CA  . VAL A 42  ? 0.57968 0.81946 0.75120 -0.03724 0.02888  0.01731  619 VAL A CA  
27   C C   . VAL A 42  ? 0.57777 0.73544 0.78122 -0.04848 0.04163  0.01870  619 VAL A C   
28   O O   . VAL A 42  ? 0.60288 0.73787 0.84346 -0.06710 0.04412  0.04084  619 VAL A O   
29   C CB  . VAL A 42  ? 0.50341 0.81126 0.67890 -0.05661 0.03274  0.05272  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.42815 0.71773 0.59817 -0.05937 0.04484  0.05227  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.45086 0.86211 0.59407 -0.03983 0.02707  0.05699  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.53687 0.65468 0.72493 -0.03307 0.04966  -0.00348 620 ILE A N   
33   C CA  . ILE A 43  ? 0.59002 0.64492 0.79790 -0.03808 0.06647  -0.00056 620 ILE A CA  
34   C C   . ILE A 43  ? 0.55777 0.60756 0.73920 -0.03793 0.07999  -0.00222 620 ILE A C   
35   O O   . ILE A 43  ? 0.59188 0.66728 0.74403 -0.02505 0.07614  -0.01490 620 ILE A O   
36   C CB  . ILE A 43  ? 0.59314 0.60631 0.80901 -0.02699 0.05968  -0.01412 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.61045 0.62625 0.84542 -0.02883 0.03268  -0.01551 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.53959 0.51033 0.78046 -0.03222 0.08228  0.00027  620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.58982 0.61433 0.87002 -0.04764 0.03507  0.01183  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.58020 0.59444 0.76968 -0.04851 0.09291  0.00875  621 TYR A N   
41   C CA  . TYR A 44  ? 0.57970 0.57400 0.73799 -0.05033 0.09925  0.00528  621 TYR A CA  
42   C C   . TYR A 44  ? 0.63506 0.57546 0.78551 -0.03876 0.11979  -0.00244 621 TYR A C   
43   O O   . TYR A 44  ? 0.63572 0.55066 0.80975 -0.03480 0.13343  0.00414  621 TYR A O   
44   C CB  . TYR A 44  ? 0.60733 0.59641 0.76743 -0.07007 0.08851  0.02150  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.64479 0.60190 0.76916 -0.07654 0.08378  0.01781  621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.61656 0.61654 0.72209 -0.08365 0.07175  0.02263  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.70038 0.58608 0.80779 -0.07254 0.08852  0.00930  621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.62734 0.59620 0.70182 -0.09463 0.05966  0.02272  621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.72775 0.57394 0.79214 -0.07859 0.07612  0.00195  621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.69830 0.58435 0.74807 -0.09367 0.05922  0.01047  621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.74723 0.59048 0.75501 -0.10383 0.04005  0.00568  621 TYR A OH  
52   N N   . ALA A 45  ? 0.60433 0.53677 0.72374 -0.03125 0.12290  -0.01194 622 ALA A N   
53   C CA  . ALA A 45  ? 0.68552 0.57887 0.78942 -0.02137 0.14270  -0.01303 622 ALA A CA  
54   C C   . ALA A 45  ? 0.72179 0.59943 0.77516 -0.02318 0.13970  -0.02019 622 ALA A C   
55   O O   . ALA A 45  ? 0.70081 0.60255 0.74059 -0.02429 0.12576  -0.02303 622 ALA A O   
56   C CB  . ALA A 45  ? 0.67716 0.57192 0.79991 -0.01368 0.14231  -0.00969 622 ALA A CB  
57   N N   . ASP A 46  ? 0.74572 0.58273 0.76928 -0.02027 0.14960  -0.02439 623 ASP A N   
58   C CA  . ASP A 46  ? 0.81201 0.62274 0.77974 -0.02408 0.13945  -0.03286 623 ASP A CA  
59   C C   . ASP A 46  ? 0.85983 0.64773 0.78969 -0.00704 0.16161  -0.03538 623 ASP A C   
60   O O   . ASP A 46  ? 0.89775 0.69077 0.84800 0.00757  0.18806  -0.02638 623 ASP A O   
61   C CB  . ASP A 46  ? 0.89510 0.66298 0.84062 -0.03200 0.12283  -0.04038 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.97674 0.70307 0.92045 -0.00851 0.14520  -0.04980 623 ASP A CG  
63   O OD1 . ASP A 46  ? 1.04516 0.77658 0.98582 0.01464  0.17832  -0.04904 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.95850 0.65134 0.90792 -0.01206 0.12801  -0.05381 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.92728 0.69805 0.80442 -0.01142 0.14856  -0.04127 624 GLY A N   
66   C CA  . GLY A 47  ? 0.90471 0.66186 0.73809 0.00247  0.16619  -0.03913 624 GLY A CA  
67   C C   . GLY A 47  ? 0.92259 0.66485 0.70098 -0.00824 0.14116  -0.04386 624 GLY A C   
68   O O   . GLY A 47  ? 0.89855 0.64575 0.67961 -0.02797 0.10944  -0.04544 624 GLY A O   
69   N N   . VAL A 48  ? 0.97002 0.70111 0.70012 0.00340  0.15474  -0.03990 625 VAL A N   
70   C CA  . VAL A 48  ? 0.95228 0.67434 0.63215 -0.00733 0.12946  -0.03884 625 VAL A CA  
71   C C   . VAL A 48  ? 0.91871 0.68504 0.64350 -0.01413 0.11991  -0.01716 625 VAL A C   
72   O O   . VAL A 48  ? 0.93703 0.71938 0.66201 -0.02719 0.09026  -0.01326 625 VAL A O   
73   C CB  . VAL A 48  ? 1.04178 0.73257 0.63798 0.01064  0.14584  -0.04445 625 VAL A CB  
74   C CG1 . VAL A 48  ? 1.06378 0.74978 0.60954 -0.00235 0.11753  -0.03740 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 1.09635 0.73102 0.63675 0.02678  0.14749  -0.07649 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.88349 0.66959 0.65130 -0.00426 0.14043  -0.00107 626 TYR A N   
77   C CA  . TYR A 49  ? 0.90671 0.71655 0.71332 -0.00451 0.12576  0.01607  626 TYR A CA  
78   C C   . TYR A 49  ? 0.93029 0.73712 0.69268 -0.00873 0.10730  0.02694  626 TYR A C   
79   O O   . TYR A 49  ? 0.93826 0.76552 0.72022 -0.01006 0.08124  0.03026  626 TYR A O   
80   C CB  . TYR A 49  ? 0.82035 0.65836 0.67929 -0.00439 0.10716  0.00556  626 TYR A CB  
81   C CG  . TYR A 49  ? 0.81971 0.66051 0.71595 -0.00290 0.12140  -0.00300 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.81745 0.65472 0.75516 0.00300  0.13131  0.00724  626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.79555 0.64050 0.68910 -0.01129 0.11955  -0.01571 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.75546 0.59763 0.72943 0.00239  0.14061  0.00244  626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.81191 0.66051 0.74080 -0.01061 0.13025  -0.01982 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.75439 0.60351 0.72214 -0.00283 0.14186  -0.01200 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.67988 0.53553 0.68432 -0.00415 0.14831  -0.01357 626 TYR A OH  
88   N N   . ASP A 50  ? 0.94170 0.72849 0.64181 -0.00698 0.12166  0.03351  627 ASP A N   
89   C CA  . ASP A 50  ? 0.96605 0.75000 0.61823 -0.01184 0.10441  0.04893  627 ASP A CA  
90   C C   . ASP A 50  ? 0.97215 0.77205 0.66165 -0.00917 0.10614  0.08485  627 ASP A C   
91   O O   . ASP A 50  ? 1.00000 0.80667 0.71411 -0.00481 0.13133  0.10363  627 ASP A O   
92   C CB  . ASP A 50  ? 1.00718 0.76250 0.56428 -0.00687 0.11705  0.03858  627 ASP A CB  
93   C CG  . ASP A 50  ? 1.10021 0.84527 0.59247 -0.01694 0.08717  0.04546  627 ASP A CG  
94   O OD1 . ASP A 50  ? 1.07644 0.82899 0.58979 -0.03234 0.05051  0.04477  627 ASP A OD1 
95   O OD2 . ASP A 50  ? 1.17799 0.91520 0.59736 -0.00830 0.10055  0.05452  627 ASP A OD2 
96   N N   . MET A 51  ? 0.98168 0.78895 0.68322 -0.01272 0.07509  0.09890  628 MET A N   
97   C CA  . MET A 51  ? 1.01040 0.82026 0.74837 -0.01157 0.06322  0.13532  628 MET A CA  
98   C C   . MET A 51  ? 0.96477 0.77049 0.77345 -0.00752 0.07152  0.14315  628 MET A C   
99   O O   . MET A 51  ? 1.00008 0.80720 0.82473 -0.01419 0.08291  0.17930  628 MET A O   
100  C CB  . MET A 51  ? 0.99784 0.80985 0.67666 -0.01877 0.07307  0.17004  628 MET A CB  
101  C CG  . MET A 51  ? 1.03792 0.84461 0.63093 -0.02381 0.06160  0.15829  628 MET A CG  
102  S SD  . MET A 51  ? 1.28793 1.10461 0.79595 -0.02678 0.07613  0.19873  628 MET A SD  
103  C CE  . MET A 51  ? 1.18614 1.01869 0.67500 -0.01123 0.13433  0.19722  628 MET A CE  
104  N N   . LEU A 52  ? 0.97419 0.78011 0.82620 0.00190  0.06187  0.11269  629 LEU A N   
105  C CA  . LEU A 52  ? 0.97938 0.77549 0.89066 0.00524  0.06323  0.11106  629 LEU A CA  
106  C C   . LEU A 52  ? 1.03038 0.80458 0.98236 -0.00010 0.04167  0.15032  629 LEU A C   
107  O O   . LEU A 52  ? 1.02437 0.78797 0.97258 0.00140  0.01557  0.16985  629 LEU A O   
108  C CB  . LEU A 52  ? 0.91574 0.71754 0.85814 0.02217  0.04451  0.07458  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.94163 0.73778 0.92436 0.02458  0.05003  0.05926  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.89022 0.70725 0.85058 0.01646  0.08086  0.04361  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.92891 0.72399 0.94068 0.04962  0.02038  0.03004  629 LEU A CD2 
112  N N   . HIS A 53  ? 1.09740 0.86450 1.09450 -0.00914 0.04747  0.16673  630 HIS A N   
113  C CA  . HIS A 53  ? 1.14028 0.88397 1.18900 -0.02310 0.01986  0.21319  630 HIS A CA  
114  C C   . HIS A 53  ? 1.08436 0.81342 1.19331 -0.03016 0.01101  0.21245  630 HIS A C   
115  O O   . HIS A 53  ? 1.04218 0.78294 1.14888 -0.02197 0.02941  0.17600  630 HIS A O   
116  C CB  . HIS A 53  ? 1.19241 0.96827 1.22034 -0.04228 0.04365  0.27196  630 HIS A CB  
117  C CG  . HIS A 53  ? 1.26456 1.08776 1.26047 -0.04267 0.09951  0.27445  630 HIS A CG  
118  N ND1 . HIS A 53  ? 1.28167 1.13824 1.32227 -0.05546 0.12131  0.31711  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 1.27455 1.11488 1.20020 -0.02857 0.13399  0.23930  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 1.31046 1.20665 1.30742 -0.04200 0.17212  0.30461  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 1.32173 1.19963 1.24533 -0.02573 0.17751  0.25451  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.92232 0.93656 0.93941 0.05337  0.19662  0.07998  631 LEU A N   
123  C CA  . LEU A 54  ? 0.83403 0.83351 0.90835 0.03484  0.19434  0.07637  631 LEU A CA  
124  C C   . LEU A 54  ? 0.77776 0.80769 0.89400 0.02610  0.19884  0.05784  631 LEU A C   
125  O O   . LEU A 54  ? 0.71177 0.73943 0.87058 0.01513  0.18186  0.04415  631 LEU A O   
126  C CB  . LEU A 54  ? 0.79697 0.77122 0.88698 0.02382  0.21429  0.10533  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.75358 0.70397 0.90010 0.00208  0.20443  0.10132  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.74924 0.65537 0.87922 0.00630  0.18256  0.09765  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.77373 0.71818 0.95822 -0.01667 0.23067  0.12689  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.83856 0.89639 0.94103 0.03286  0.22124  0.05703  632 GLY A N   
131  C CA  . GLY A 55  ? 0.78564 0.87194 0.92495 0.03152  0.22584  0.03618  632 GLY A CA  
132  C C   . GLY A 55  ? 0.74241 0.82762 0.89212 0.03341  0.19448  0.01098  632 GLY A C   
133  O O   . GLY A 55  ? 0.64545 0.73600 0.84734 0.02458  0.18339  0.00239  632 GLY A O   
134  N N   . HIS A 56  ? 0.79356 0.87418 0.89562 0.04436  0.17883  0.00113  633 HIS A N   
135  C CA  . HIS A 56  ? 0.66697 0.74643 0.77844 0.04468  0.15212  -0.01874 633 HIS A CA  
136  C C   . HIS A 56  ? 0.62750 0.68740 0.76251 0.03528  0.13212  -0.01448 633 HIS A C   
137  O O   . HIS A 56  ? 0.58304 0.64425 0.74918 0.02977  0.11616  -0.02524 633 HIS A O   
138  C CB  . HIS A 56  ? 0.76542 0.84690 0.82815 0.05473  0.13948  -0.02663 633 HIS A CB  
139  C CG  . HIS A 56  ? 0.81306 0.91040 0.84353 0.06311  0.15199  -0.03842 633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.90471 1.00688 0.88885 0.07068  0.16778  -0.02567 633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.79215 0.89736 0.82420 0.06572  0.14962  -0.06312 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.90152 1.01593 0.85557 0.07729  0.17451  -0.04448 633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.86860 0.98284 0.85283 0.07429  0.16398  -0.06907 633 HIS A NE2 
144  N N   . MET A 57  ? 0.65615 0.69475 0.77299 0.03468  0.13235  0.00105  634 MET A N   
145  C CA  . MET A 57  ? 0.65800 0.67220 0.78666 0.02765  0.11390  0.00003  634 MET A CA  
146  C C   . MET A 57  ? 0.62176 0.63598 0.80230 0.01114  0.10988  -0.00251 634 MET A C   
147  O O   . MET A 57  ? 0.60426 0.61612 0.80041 0.00599  0.08839  -0.01406 634 MET A O   
148  C CB  . MET A 57  ? 0.67215 0.65747 0.77364 0.03258  0.11793  0.01585  634 MET A CB  
149  C CG  . MET A 57  ? 0.71078 0.70416 0.76748 0.05076  0.11901  0.02162  634 MET A CG  
150  S SD  . MET A 57  ? 0.72148 0.68219 0.75085 0.06222  0.12689  0.04671  634 MET A SD  
151  C CE  . MET A 57  ? 0.81823 0.80812 0.80348 0.08087  0.13051  0.05785  634 MET A CE  
152  N N   . LYS A 58  ? 0.60322 0.62454 0.81302 0.00238  0.12998  0.00988  635 LYS A N   
153  C CA  . LYS A 58  ? 0.57734 0.60694 0.84795 -0.01507 0.12398  0.00864  635 LYS A CA  
154  C C   . LYS A 58  ? 0.53227 0.58943 0.83248 -0.01194 0.11081  -0.00679 635 LYS A C   
155  O O   . LYS A 58  ? 0.49571 0.55382 0.83126 -0.02255 0.08780  -0.01245 635 LYS A O   
156  C CB  . LYS A 58  ? 0.50157 0.54410 0.80660 -0.02491 0.15331  0.02722  635 LYS A CB  
157  N N   . GLN A 59  ? 0.51449 0.58982 0.79654 0.00315  0.12168  -0.01439 636 GLN A N   
158  C CA  . GLN A 59  ? 0.52700 0.62075 0.83731 0.00846  0.11042  -0.02806 636 GLN A CA  
159  C C   . GLN A 59  ? 0.52846 0.60499 0.81984 0.00849  0.07905  -0.03595 636 GLN A C   
160  O O   . GLN A 59  ? 0.52915 0.61198 0.85476 0.00479  0.05941  -0.03916 636 GLN A O   
161  C CB  . GLN A 59  ? 0.49438 0.60271 0.78593 0.02376  0.13043  -0.03774 636 GLN A CB  
162  N N   . LEU A 60  ? 0.52497 0.58254 0.76326 0.01349  0.07460  -0.03661 637 LEU A N   
163  C CA  . LEU A 60  ? 0.52393 0.56744 0.74131 0.01381  0.05081  -0.04140 637 LEU A CA  
164  C C   . LEU A 60  ? 0.52057 0.54752 0.74775 0.00239  0.03157  -0.03976 637 LEU A C   
165  O O   . LEU A 60  ? 0.47223 0.49743 0.70345 0.00000  0.00985  -0.04328 637 LEU A O   
166  C CB  . LEU A 60  ? 0.56564 0.59942 0.73312 0.02238  0.05441  -0.04046 637 LEU A CB  
167  C CG  . LEU A 60  ? 0.55781 0.60800 0.71137 0.03113  0.06428  -0.04607 637 LEU A CG  
168  C CD1 . LEU A 60  ? 0.63278 0.68105 0.74553 0.03885  0.06695  -0.04160 637 LEU A CD1 
169  C CD2 . LEU A 60  ? 0.56043 0.61528 0.72657 0.03091  0.05077  -0.05507 637 LEU A CD2 
170  N N   . GLU A 61  ? 0.50401 0.51523 0.73122 -0.00524 0.03800  -0.03434 638 GLU A N   
171  C CA  . GLU A 61  ? 0.54029 0.53322 0.78099 -0.01962 0.01803  -0.03711 638 GLU A CA  
172  C C   . GLU A 61  ? 0.52036 0.53799 0.81461 -0.02869 0.00097  -0.03869 638 GLU A C   
173  O O   . GLU A 61  ? 0.49907 0.50907 0.79194 -0.03541 -0.02730 -0.04433 638 GLU A O   
174  C CB  . GLU A 61  ? 0.51338 0.48662 0.76301 -0.02986 0.03094  -0.02960 638 GLU A CB  
175  C CG  . GLU A 61  ? 0.53841 0.47781 0.78608 -0.04484 0.00965  -0.03724 638 GLU A CG  
176  C CD  . GLU A 61  ? 0.68915 0.60866 0.96329 -0.06032 0.02228  -0.02777 638 GLU A CD  
177  O OE1 . GLU A 61  ? 0.71435 0.65418 1.01420 -0.06040 0.04881  -0.01176 638 GLU A OE1 
178  O OE2 . GLU A 61  ? 0.73245 0.61320 0.99977 -0.07312 0.00652  -0.03637 638 GLU A OE2 
179  N N   . GLN A 62  ? 0.45176 0.50073 0.79206 -0.02684 0.01800  -0.03343 639 GLN A N   
180  C CA  . GLN A 62  ? 0.49954 0.57804 0.90381 -0.03246 0.00419  -0.03245 639 GLN A CA  
181  C C   . GLN A 62  ? 0.50188 0.58286 0.89729 -0.02327 -0.01974 -0.03671 639 GLN A C   
182  O O   . GLN A 62  ? 0.46377 0.54921 0.88040 -0.03057 -0.04994 -0.03613 639 GLN A O   
183  C CB  . GLN A 62  ? 0.51848 0.63046 0.96968 -0.02657 0.03475  -0.02700 639 GLN A CB  
184  C CG  . GLN A 62  ? 0.56701 0.71648 1.10139 -0.03284 0.02726  -0.02249 639 GLN A CG  
185  C CD  . GLN A 62  ? 0.66529 0.84895 1.24332 -0.02441 0.06615  -0.01746 639 GLN A CD  
186  O OE1 . GLN A 62  ? 0.73965 0.91610 1.28523 -0.02152 0.09785  -0.01406 639 GLN A OE1 
187  N NE2 . GLN A 62  ? 0.62920 0.85104 1.27897 -0.01822 0.06462  -0.01611 639 GLN A NE2 
188  N N   . ALA A 63  ? 0.49520 0.57233 0.85851 -0.00838 -0.00842 -0.03965 640 ALA A N   
189  C CA  . ALA A 63  ? 0.49808 0.57205 0.85211 -0.00125 -0.02878 -0.03973 640 ALA A CA  
190  C C   . ALA A 63  ? 0.51217 0.56288 0.82185 -0.00805 -0.05423 -0.03931 640 ALA A C   
191  O O   . ALA A 63  ? 0.52029 0.57292 0.83816 -0.01013 -0.08154 -0.03501 640 ALA A O   
192  C CB  . ALA A 63  ? 0.51778 0.58709 0.84493 0.01134  -0.01207 -0.04403 640 ALA A CB  
193  N N   . LYS A 64  ? 0.55571 0.58405 0.81564 -0.00955 -0.04524 -0.04336 641 LYS A N   
194  C CA  . LYS A 64  ? 0.57780 0.58185 0.78888 -0.01266 -0.06375 -0.04627 641 LYS A CA  
195  C C   . LYS A 64  ? 0.58037 0.58216 0.80928 -0.02596 -0.09364 -0.04874 641 LYS A C   
196  O O   . LYS A 64  ? 0.58458 0.57901 0.78640 -0.02646 -0.11833 -0.04803 641 LYS A O   
197  C CB  . LYS A 64  ? 0.57051 0.55096 0.73763 -0.01003 -0.04686 -0.05142 641 LYS A CB  
198  C CG  . LYS A 64  ? 0.60723 0.55860 0.72036 -0.01034 -0.06031 -0.05870 641 LYS A CG  
199  C CD  . LYS A 64  ? 0.61052 0.56550 0.68802 -0.00088 -0.06297 -0.05377 641 LYS A CD  
200  C CE  . LYS A 64  ? 0.67837 0.60701 0.69820 0.00037  -0.07345 -0.06155 641 LYS A CE  
201  N NZ  . LYS A 64  ? 0.68306 0.61853 0.67284 0.00575  -0.07947 -0.05203 641 LYS A NZ  
202  N N   . LYS A 65  ? 0.57319 0.58336 0.84825 -0.03809 -0.09298 -0.05035 642 LYS A N   
203  C CA  . LYS A 65  ? 0.54951 0.55971 0.84766 -0.05488 -0.12506 -0.05459 642 LYS A CA  
204  C C   . LYS A 65  ? 0.52705 0.57710 0.89371 -0.05625 -0.14354 -0.04528 642 LYS A C   
205  O O   . LYS A 65  ? 0.56228 0.62597 0.97269 -0.07234 -0.16806 -0.04654 642 LYS A O   
206  C CB  . LYS A 65  ? 0.55949 0.55550 0.87787 -0.07169 -0.11751 -0.06022 642 LYS A CB  
207  C CG  . LYS A 65  ? 0.58696 0.53655 0.84000 -0.06948 -0.10593 -0.07013 642 LYS A CG  
208  C CD  . LYS A 65  ? 0.56626 0.49648 0.84324 -0.08406 -0.09240 -0.07078 642 LYS A CD  
209  C CE  . LYS A 65  ? 0.65982 0.54631 0.87592 -0.07264 -0.07213 -0.07547 642 LYS A CE  
210  N NZ  . LYS A 65  ? 0.69024 0.53791 0.91534 -0.08795 -0.06776 -0.07898 642 LYS A NZ  
211  N N   . LEU A 66  ? 0.52164 0.59062 0.90388 -0.03978 -0.13351 -0.03626 643 LEU A N   
212  C CA  . LEU A 66  ? 0.47100 0.57417 0.91760 -0.03626 -0.15355 -0.02629 643 LEU A CA  
213  C C   . LEU A 66  ? 0.52567 0.62538 0.95588 -0.04377 -0.19996 -0.02382 643 LEU A C   
214  O O   . LEU A 66  ? 0.52185 0.65181 1.01308 -0.05091 -0.22704 -0.01844 643 LEU A O   
215  C CB  . LEU A 66  ? 0.49116 0.60070 0.94422 -0.01576 -0.13812 -0.01898 643 LEU A CB  
216  C CG  . LEU A 66  ? 0.51529 0.63790 0.99861 -0.00720 -0.09769 -0.02292 643 LEU A CG  
217  C CD1 . LEU A 66  ? 0.45896 0.57361 0.93045 0.01096  -0.08478 -0.02198 643 LEU A CD1 
218  C CD2 . LEU A 66  ? 0.37161 0.53458 0.94244 -0.00975 -0.09564 -0.01874 643 LEU A CD2 
219  N N   . PHE A 67  ? 0.53406 0.60065 0.88237 -0.04166 -0.21008 -0.02689 644 PHE A N   
220  C CA  . PHE A 67  ? 0.57480 0.63457 0.88959 -0.04753 -0.25353 -0.02510 644 PHE A CA  
221  C C   . PHE A 67  ? 0.65120 0.66970 0.88113 -0.05592 -0.25603 -0.04250 644 PHE A C   
222  O O   . PHE A 67  ? 0.72618 0.72208 0.92354 -0.05260 -0.22317 -0.05135 644 PHE A O   
223  C CB  . PHE A 67  ? 0.56679 0.62899 0.86272 -0.03129 -0.26506 -0.00576 644 PHE A CB  
224  C CG  . PHE A 67  ? 0.57588 0.67158 0.95455 -0.01929 -0.26394 0.00996  644 PHE A CG  
225  C CD1 . PHE A 67  ? 0.54520 0.67504 0.98945 -0.02174 -0.29904 0.01927  644 PHE A CD1 
226  C CD2 . PHE A 67  ? 0.55928 0.65273 0.95271 -0.00460 -0.22918 0.01410  644 PHE A CD2 
227  C CE1 . PHE A 67  ? 0.47953 0.64090 1.00578 -0.00614 -0.29524 0.03360  644 PHE A CE1 
228  C CE2 . PHE A 67  ? 0.47618 0.59433 0.94387 0.00943  -0.22582 0.02483  644 PHE A CE2 
229  C CZ  . PHE A 67  ? 0.45944 0.61153 0.99481 0.01044  -0.25664 0.03507  644 PHE A CZ  
230  N N   . GLU A 68  ? 0.63934 0.64776 0.83083 -0.06465 -0.29631 -0.04768 645 GLU A N   
231  C CA  . GLU A 68  ? 0.70887 0.67437 0.81769 -0.07169 -0.30055 -0.06929 645 GLU A CA  
232  C C   . GLU A 68  ? 0.83146 0.77178 0.86464 -0.05421 -0.26883 -0.06723 645 GLU A C   
233  O O   . GLU A 68  ? 0.85953 0.77030 0.85412 -0.05264 -0.24416 -0.08306 645 GLU A O   
234  C CB  . GLU A 68  ? 0.76838 0.72874 0.84113 -0.08272 -0.35240 -0.07623 645 GLU A CB  
235  N N   . ASN A 69  ? 0.83118 0.78375 0.84863 -0.04072 -0.26814 -0.04578 646 ASN A N   
236  C CA  . ASN A 69  ? 0.86874 0.80509 0.82432 -0.02660 -0.23860 -0.03954 646 ASN A CA  
237  C C   . ASN A 69  ? 0.82936 0.78674 0.83440 -0.01669 -0.21159 -0.02115 646 ASN A C   
238  O O   . ASN A 69  ? 0.80528 0.77853 0.83690 -0.01192 -0.22413 -0.00045 646 ASN A O   
239  C CB  . ASN A 69  ? 0.98909 0.91524 0.87105 -0.02193 -0.25979 -0.02874 646 ASN A CB  
240  C CG  . ASN A 69  ? 1.09860 0.99948 0.91753 -0.03102 -0.28798 -0.05166 646 ASN A CG  
241  O OD1 . ASN A 69  ? 1.20585 1.10750 0.98789 -0.03370 -0.32525 -0.04516 646 ASN A OD1 
242  N ND2 . ASN A 69  ? 1.05529 0.93052 0.85964 -0.03571 -0.27248 -0.07927 646 ASN A ND2 
243  N N   . THR A 70  ? 0.78495 0.73922 0.79795 -0.01268 -0.17619 -0.02860 647 THR A N   
244  C CA  . THR A 70  ? 0.73249 0.70361 0.78591 -0.00508 -0.15267 -0.01646 647 THR A CA  
245  C C   . THR A 70  ? 0.78403 0.74745 0.79652 0.00273  -0.12320 -0.01448 647 THR A C   
246  O O   . THR A 70  ? 0.80330 0.75091 0.76791 0.00506  -0.11206 -0.02553 647 THR A O   
247  C CB  . THR A 70  ? 0.67374 0.65915 0.78924 -0.00783 -0.13865 -0.02493 647 THR A CB  
248  O OG1 . THR A 70  ? 0.69051 0.66091 0.78205 -0.00924 -0.11904 -0.03941 647 THR A OG1 
249  C CG2 . THR A 70  ? 0.62686 0.62804 0.79569 -0.01672 -0.16476 -0.02579 647 THR A CG2 
250  N N   . THR A 71  ? 0.73604 0.71100 0.77257 0.00700  -0.11105 -0.00076 648 THR A N   
251  C CA  . THR A 71  ? 0.69577 0.67498 0.72455 0.01132  -0.08224 -0.00066 648 THR A CA  
252  C C   . THR A 71  ? 0.64235 0.63487 0.72718 0.01152  -0.07196 -0.00523 648 THR A C   
253  O O   . THR A 71  ? 0.63926 0.63602 0.76060 0.01176  -0.07916 0.00287  648 THR A O   
254  C CB  . THR A 71  ? 0.73025 0.70951 0.73461 0.01260  -0.07709 0.01870  648 THR A CB  
255  O OG1 . THR A 71  ? 0.81136 0.77829 0.75796 0.01358  -0.08831 0.02458  648 THR A OG1 
256  C CG2 . THR A 71  ? 0.69065 0.68055 0.69010 0.01507  -0.04931 0.01745  648 THR A CG2 
257  N N   . LEU A 72  ? 0.60662 0.60289 0.69552 0.01302  -0.05539 -0.01824 649 LEU A N   
258  C CA  . LEU A 72  ? 0.55965 0.56818 0.68821 0.01432  -0.04303 -0.02442 649 LEU A CA  
259  C C   . LEU A 72  ? 0.60066 0.61665 0.72341 0.01625  -0.02869 -0.02245 649 LEU A C   
260  O O   . LEU A 72  ? 0.63287 0.65243 0.72837 0.01899  -0.01748 -0.02299 649 LEU A O   
261  C CB  . LEU A 72  ? 0.54738 0.55603 0.67913 0.01437  -0.03294 -0.03496 649 LEU A CB  
262  C CG  . LEU A 72  ? 0.56571 0.58789 0.72791 0.01692  -0.01723 -0.04061 649 LEU A CG  
263  C CD1 . LEU A 72  ? 0.53558 0.56585 0.74207 0.01722  -0.02406 -0.03998 649 LEU A CD1 
264  C CD2 . LEU A 72  ? 0.49359 0.51415 0.65885 0.01558  -0.00679 -0.04467 649 LEU A CD2 
265  N N   . ILE A 73  ? 0.56737 0.58524 0.71894 0.01486  -0.03050 -0.02018 650 ILE A N   
266  C CA  . ILE A 73  ? 0.58969 0.61393 0.74518 0.01257  -0.02065 -0.02212 650 ILE A CA  
267  C C   . ILE A 73  ? 0.56382 0.59417 0.73957 0.01553  -0.01171 -0.03870 650 ILE A C   
268  O O   . ILE A 73  ? 0.56423 0.59034 0.76819 0.01878  -0.01357 -0.04415 650 ILE A O   
269  C CB  . ILE A 73  ? 0.56695 0.58065 0.73847 0.00719  -0.02867 -0.00994 650 ILE A CB  
270  C CG1 . ILE A 73  ? 0.54421 0.55386 0.68621 0.00451  -0.03376 0.01015  650 ILE A CG1 
271  C CG2 . ILE A 73  ? 0.49948 0.51749 0.68445 0.00098  -0.02132 -0.01679 650 ILE A CG2 
272  C CD1 . ILE A 73  ? 0.40945 0.40387 0.56581 -0.00044 -0.04310 0.02952  650 ILE A CD1 
273  N N   . VAL A 74  ? 0.57232 0.61498 0.73315 0.01608  -0.00164 -0.04588 651 VAL A N   
274  C CA  . VAL A 74  ? 0.53005 0.57893 0.69655 0.01939  0.00723  -0.06140 651 VAL A CA  
275  C C   . VAL A 74  ? 0.56548 0.61566 0.73840 0.01317  0.00438  -0.07003 651 VAL A C   
276  O O   . VAL A 74  ? 0.57472 0.63171 0.74422 0.00593  -0.00037 -0.06167 651 VAL A O   
277  C CB  . VAL A 74  ? 0.51469 0.57519 0.65584 0.02502  0.01714  -0.06187 651 VAL A CB  
278  C CG1 . VAL A 74  ? 0.52567 0.59234 0.66435 0.02921  0.02741  -0.07515 651 VAL A CG1 
279  C CG2 . VAL A 74  ? 0.55353 0.60565 0.69040 0.02727  0.01770  -0.05399 651 VAL A CG2 
280  N N   . GLY A 75  ? 0.57478 0.61777 0.75951 0.01524  0.00788  -0.08749 652 GLY A N   
281  C CA  . GLY A 75  ? 0.54588 0.58469 0.73372 0.00757  0.00292  -0.10193 652 GLY A CA  
282  C C   . GLY A 75  ? 0.62790 0.67967 0.78943 0.01190  0.00952  -0.11989 652 GLY A C   
283  O O   . GLY A 75  ? 0.63563 0.68637 0.78977 0.02223  0.02235  -0.12826 652 GLY A O   
284  N N   . VAL A 76  ? 0.63360 0.70132 0.78104 0.00422  0.00094  -0.12365 653 VAL A N   
285  C CA  . VAL A 76  ? 0.63116 0.71328 0.74648 0.00819  0.00200  -0.13894 653 VAL A CA  
286  C C   . VAL A 76  ? 0.63265 0.70026 0.74974 -0.00123 -0.00789 -0.16646 653 VAL A C   
287  O O   . VAL A 76  ? 0.61729 0.68036 0.75874 -0.01675 -0.02216 -0.16697 653 VAL A O   
288  C CB  . VAL A 76  ? 0.63788 0.75173 0.73749 0.00810  -0.00494 -0.12409 653 VAL A CB  
289  C CG1 . VAL A 76  ? 0.65337 0.78274 0.71504 0.01430  -0.00660 -0.13538 653 VAL A CG1 
290  C CG2 . VAL A 76  ? 0.63106 0.74832 0.72981 0.01758  0.00525  -0.10051 653 VAL A CG2 
291  N N   . THR A 77  ? 0.70760 0.76522 0.79903 0.00755  0.00135  -0.18982 654 THR A N   
292  C CA  . THR A 77  ? 0.71885 0.75290 0.80583 0.00104  -0.00606 -0.22311 654 THR A CA  
293  C C   . THR A 77  ? 0.73610 0.78925 0.79906 -0.01248 -0.02852 -0.23594 654 THR A C   
294  O O   . THR A 77  ? 0.71372 0.79997 0.74703 -0.00811 -0.03229 -0.22472 654 THR A O   
295  C CB  . THR A 77  ? 0.78719 0.80668 0.84841 0.01804  0.01535  -0.24530 654 THR A CB  
296  O OG1 . THR A 77  ? 0.78525 0.83216 0.80116 0.02818  0.02564  -0.23751 654 THR A OG1 
297  C CG2 . THR A 77  ? 0.80255 0.80715 0.90263 0.02981  0.03371  -0.23439 654 THR A CG2 
298  N N   . SER A 78  ? 0.77349 0.80516 0.85309 -0.02956 -0.04570 -0.25865 655 SER A N   
299  C CA  . SER A 78  ? 0.77765 0.83172 0.84345 -0.04644 -0.07236 -0.27137 655 SER A CA  
300  C C   . SER A 78  ? 0.83948 0.90171 0.83912 -0.03561 -0.07335 -0.29644 655 SER A C   
301  O O   . SER A 78  ? 0.85971 0.90144 0.82745 -0.01779 -0.05081 -0.31077 655 SER A O   
302  C CB  . SER A 78  ? 0.79852 0.82321 0.90053 -0.07123 -0.09184 -0.29182 655 SER A CB  
303  O OG  . SER A 78  ? 0.87204 0.84920 0.95406 -0.06868 -0.08915 -0.33282 655 SER A OG  
304  N N   . ASP A 79  ? 0.87613 0.97290 0.85539 -0.04566 -0.09933 -0.29921 656 ASP A N   
305  C CA  . ASP A 79  ? 0.93397 1.04209 0.84137 -0.03540 -0.10443 -0.31903 656 ASP A CA  
306  C C   . ASP A 79  ? 0.94368 1.00844 0.81661 -0.03905 -0.10669 -0.36903 656 ASP A C   
307  O O   . ASP A 79  ? 1.00003 1.04897 0.81844 -0.01971 -0.08426 -0.38565 656 ASP A O   
308  C CB  . ASP A 79  ? 0.97677 1.13470 0.87458 -0.04538 -0.13812 -0.30982 656 ASP A CB  
309  C CG  . ASP A 79  ? 0.99995 1.19822 0.88960 -0.02654 -0.12841 -0.26716 656 ASP A CG  
310  O OD1 . ASP A 79  ? 0.96655 1.15168 0.82966 -0.00572 -0.09763 -0.25411 656 ASP A OD1 
311  O OD2 . ASP A 79  ? 0.95846 1.20092 0.87358 -0.03254 -0.15077 -0.24638 656 ASP A OD2 
312  N N   . ASN A 80  ? 0.90917 0.95234 0.81321 -0.06377 -0.13171 -0.39436 657 ASN A N   
313  C CA  . ASN A 80  ? 1.03029 1.02609 0.89545 -0.06670 -0.13587 -0.44754 657 ASN A CA  
314  C C   . ASN A 80  ? 1.05040 0.99681 0.92172 -0.04625 -0.09763 -0.45905 657 ASN A C   
315  O O   . ASN A 80  ? 1.07831 0.99453 0.89553 -0.03226 -0.08380 -0.49748 657 ASN A O   
316  C CB  . ASN A 80  ? 1.00517 0.98331 0.90835 -0.10104 -0.17306 -0.47263 657 ASN A CB  
317  C CG  . ASN A 80  ? 1.12920 1.15706 1.01114 -0.11944 -0.21462 -0.47458 657 ASN A CG  
318  O OD1 . ASN A 80  ? 1.12627 1.21185 1.03642 -0.12134 -0.22406 -0.43539 657 ASN A OD1 
319  N ND2 . ASN A 80  ? 1.17412 1.17456 1.00556 -0.12972 -0.23401 -0.50413 657 ASN A ND2 
320  N N   . GLU A 81  ? 0.99731 0.93826 0.93169 -0.04196 -0.07955 -0.42585 658 GLU A N   
321  C CA  . GLU A 81  ? 0.98767 0.88975 0.93728 -0.02085 -0.04619 -0.43262 658 GLU A CA  
322  C C   . GLU A 81  ? 1.01813 0.94072 0.92106 0.00750  -0.01341 -0.42609 658 GLU A C   
323  O O   . GLU A 81  ? 1.11642 1.01102 0.99749 0.02639  0.01211  -0.45356 658 GLU A O   
324  C CB  . GLU A 81  ? 0.93144 0.82697 0.95659 -0.02405 -0.04051 -0.39597 658 GLU A CB  
325  C CG  . GLU A 81  ? 0.97227 0.81118 1.04311 -0.03572 -0.04864 -0.41519 658 GLU A CG  
326  C CD  . GLU A 81  ? 0.92724 0.76632 1.06495 -0.04861 -0.05512 -0.37462 658 GLU A CD  
327  O OE1 . GLU A 81  ? 0.92713 0.80985 1.07369 -0.04674 -0.05175 -0.33493 658 GLU A OE1 
328  O OE2 . GLU A 81  ? 0.97889 0.77082 1.15702 -0.06017 -0.06290 -0.38270 658 GLU A OE2 
329  N N   . THR A 82  ? 0.99406 0.96417 0.88395 0.01143  -0.01124 -0.38934 659 THR A N   
330  C CA  . THR A 82  ? 1.03572 1.02546 0.87614 0.03404  0.01794  -0.38162 659 THR A CA  
331  C C   . THR A 82  ? 1.11608 1.09859 0.87382 0.03975  0.01709  -0.42098 659 THR A C   
332  O O   . THR A 82  ? 1.12179 1.08636 0.84715 0.05912  0.04856  -0.44290 659 THR A O   
333  C CB  . THR A 82  ? 0.99552 1.03062 0.83246 0.03460  0.01470  -0.33698 659 THR A CB  
334  O OG1 . THR A 82  ? 0.93273 0.97190 0.83724 0.02966  0.01520  -0.30449 659 THR A OG1 
335  C CG2 . THR A 82  ? 1.03591 1.08664 0.82573 0.05572  0.04701  -0.32469 659 THR A CG2 
336  N N   . LYS A 83  ? 1.09175 1.09226 0.81325 0.02392  -0.01878 -0.42941 660 LYS A N   
337  C CA  . LYS A 83  ? 1.12789 1.12299 0.76178 0.02689  -0.02775 -0.46801 660 LYS A CA  
338  C C   . LYS A 83  ? 1.18574 1.12284 0.80626 0.03486  -0.00640 -0.50184 660 LYS A C   
339  O O   . LYS A 83  ? 1.26581 1.19039 0.81956 0.05204  0.01860  -0.51084 660 LYS A O   
340  C CB  . LYS A 83  ? 1.08960 1.10007 0.71577 0.00073  -0.07958 -0.47897 660 LYS A CB  
341  N N   . LEU A 84  ? 1.15182 1.05085 0.83719 0.02389  -0.01331 -0.51576 661 LEU A N   
342  C CA  . LEU A 84  ? 1.20982 1.04807 0.88406 0.03053  0.00046  -0.54731 661 LEU A CA  
343  C C   . LEU A 84  ? 1.22732 1.05253 0.92397 0.06000  0.04860  -0.53886 661 LEU A C   
344  O O   . LEU A 84  ? 1.26459 1.05987 0.91488 0.07837  0.07414  -0.55888 661 LEU A O   
345  C CB  . LEU A 84  ? 1.20801 1.00696 0.94195 0.00634  -0.02801 -0.56092 661 LEU A CB  
346  C CG  . LEU A 84  ? 1.29171 1.02285 1.02966 0.01696  -0.01037 -0.58795 661 LEU A CG  
347  C CD1 . LEU A 84  ? 1.36567 1.07005 1.00702 0.02862  -0.00015 -0.62171 661 LEU A CD1 
348  C CD2 . LEU A 84  ? 1.31330 1.00437 1.10629 -0.01075 -0.04111 -0.59648 661 LEU A CD2 
349  N N   . PHE A 85  ? 1.21196 1.05957 0.98041 0.06501  0.06129  -0.50902 662 PHE A N   
350  C CA  . PHE A 85  ? 1.18200 1.01982 0.98828 0.09045  0.10139  -0.49837 662 PHE A CA  
351  C C   . PHE A 85  ? 1.19253 1.07315 0.97245 0.11036  0.13722  -0.47437 662 PHE A C   
352  O O   . PHE A 85  ? 1.27794 1.15055 1.06198 0.13348  0.17325  -0.47336 662 PHE A O   
353  C CB  . PHE A 85  ? 1.10197 0.93457 1.00398 0.08525  0.09523  -0.47733 662 PHE A CB  
354  C CG  . PHE A 85  ? 1.13588 0.91560 1.07256 0.07125  0.07168  -0.49501 662 PHE A CG  
355  C CD1 . PHE A 85  ? 1.18393 0.91800 1.07449 0.06982  0.06577  -0.53096 662 PHE A CD1 
356  C CD2 . PHE A 85  ? 1.10044 0.87241 1.11252 0.05865  0.05569  -0.47371 662 PHE A CD2 
357  C CE1 . PHE A 85  ? 1.13924 0.82041 1.06314 0.05481  0.04447  -0.54507 662 PHE A CE1 
358  C CE2 . PHE A 85  ? 1.14123 0.86255 1.18577 0.04428  0.03564  -0.48359 662 PHE A CE2 
359  C CZ  . PHE A 85  ? 1.13938 0.81526 1.14201 0.04184  0.03022  -0.51922 662 PHE A CZ  
360  N N   . LYS A 86  ? 0.96578 1.04260 1.31781 0.30544  0.35576  0.06342  663 LYS A N   
361  C CA  . LYS A 86  ? 0.90669 1.04740 1.24758 0.29880  0.36568  0.11450  663 LYS A CA  
362  C C   . LYS A 86  ? 0.98064 1.10598 1.22435 0.32346  0.37242  0.08734  663 LYS A C   
363  O O   . LYS A 86  ? 1.03938 1.20337 1.26042 0.35240  0.40976  0.11570  663 LYS A O   
364  C CB  . LYS A 86  ? 0.85992 1.02095 1.23376 0.24200  0.32954  0.15008  663 LYS A CB  
365  C CG  . LYS A 86  ? 0.92336 1.11086 1.25198 0.22416  0.33296  0.18397  663 LYS A CG  
366  C CD  . LYS A 86  ? 0.85793 1.06496 1.22745 0.16517  0.30773  0.22689  663 LYS A CD  
367  C CE  . LYS A 86  ? 0.79288 0.97856 1.08933 0.14235  0.30336  0.24357  663 LYS A CE  
368  N NZ  . LYS A 86  ? 0.83743 0.95433 1.06104 0.14578  0.26782  0.20052  663 LYS A NZ  
369  N N   . GLY A 87  ? 1.00714 1.08401 1.19305 0.31646  0.33853  0.03351  664 GLY A N   
370  C CA  . GLY A 87  ? 1.07468 1.14501 1.16365 0.33962  0.33616  0.00880  664 GLY A CA  
371  C C   . GLY A 87  ? 1.20289 1.25533 1.26059 0.30853  0.28915  -0.00659 664 GLY A C   
372  O O   . GLY A 87  ? 1.12342 1.15739 1.22928 0.27323  0.25719  -0.01696 664 GLY A O   
373  N N   . GLN A 88  ? 1.38303 1.44101 1.35555 0.32710  0.28818  -0.00423 665 GLN A N   
374  C CA  . GLN A 88  ? 1.43723 1.48030 1.36538 0.31053  0.24705  -0.01866 665 GLN A CA  
375  C C   . GLN A 88  ? 1.41367 1.44929 1.40147 0.25885  0.22812  0.02778  665 GLN A C   
376  O O   . GLN A 88  ? 1.42286 1.47508 1.45733 0.23741  0.25110  0.08412  665 GLN A O   
377  C CB  . GLN A 88  ? 1.47943 1.52885 1.30125 0.34665  0.25914  -0.00710 665 GLN A CB  
378  N N   . VAL A 89  ? 1.18514 1.20151 1.17306 0.23783  0.18559  0.00150  666 VAL A N   
379  C CA  . VAL A 89  ? 1.03913 1.03881 1.04793 0.19738  0.16345  0.04077  666 VAL A CA  
380  C C   . VAL A 89  ? 0.99830 0.98345 0.91174 0.21426  0.14234  0.03218  666 VAL A C   
381  O O   . VAL A 89  ? 1.04536 1.04333 0.91526 0.24144  0.12166  -0.02151 666 VAL A O   
382  C CB  . VAL A 89  ? 0.91961 0.90868 1.01440 0.16284  0.13564  0.02637  666 VAL A CB  
383  C CG1 . VAL A 89  ? 0.94839 0.92957 1.02384 0.16949  0.10174  -0.03690 666 VAL A CG1 
384  C CG2 . VAL A 89  ? 0.85528 0.82996 0.97872 0.12142  0.12118  0.07639  666 VAL A CG2 
385  N N   . VAL A 90  ? 0.96974 0.92996 0.84565 0.19993  0.15038  0.08454  667 VAL A N   
386  C CA  . VAL A 90  ? 0.95166 0.89056 0.71975 0.22837  0.14303  0.08794  667 VAL A CA  
387  C C   . VAL A 90  ? 0.98249 0.90377 0.74997 0.21244  0.10043  0.07679  667 VAL A C   
388  O O   . VAL A 90  ? 1.00978 0.93783 0.70173 0.24722  0.08184  0.05521  667 VAL A O   
389  C CB  . VAL A 90  ? 0.98003 0.88283 0.69271 0.22324  0.18224  0.15085  667 VAL A CB  
390  C CG1 . VAL A 90  ? 1.04437 0.90321 0.64615 0.24793  0.17622  0.16528  667 VAL A CG1 
391  C CG2 . VAL A 90  ? 1.06174 0.98842 0.74933 0.25494  0.22597  0.15837  667 VAL A CG2 
392  N N   . GLN A 91  ? 0.92208 0.82692 0.76978 0.16448  0.08536  0.09389  668 GLN A N   
393  C CA  . GLN A 91  ? 0.88702 0.77279 0.73782 0.14925  0.04811  0.08852  668 GLN A CA  
394  C C   . GLN A 91  ? 0.86481 0.77643 0.81132 0.12942  0.02209  0.04714  668 GLN A C   
395  O O   . GLN A 91  ? 0.83801 0.76113 0.86261 0.11203  0.03605  0.04510  668 GLN A O   
396  C CB  . GLN A 91  ? 0.89271 0.72511 0.74225 0.11047  0.05252  0.14467  668 GLN A CB  
397  C CG  . GLN A 91  ? 1.00382 0.78945 0.74941 0.12418  0.08347  0.18654  668 GLN A CG  
398  C CD  . GLN A 91  ? 1.03742 0.75908 0.77700 0.07688  0.08858  0.23543  668 GLN A CD  
399  O OE1 . GLN A 91  ? 0.95346 0.68411 0.77440 0.02839  0.09229  0.25406  668 GLN A OE1 
400  N NE2 . GLN A 91  ? 1.10263 0.77641 0.75727 0.08774  0.08408  0.24469  668 GLN A NE2 
401  N N   . THR A 92  ? 0.83059 0.75200 0.76732 0.13519  -0.01203 0.01600  669 THR A N   
402  C CA  . THR A 92  ? 0.80299 0.73941 0.82528 0.11215  -0.03416 -0.02156 669 THR A CA  
403  C C   . THR A 92  ? 0.79337 0.69640 0.88927 0.07175  -0.03572 0.01801  669 THR A C   
404  O O   . THR A 92  ? 0.77758 0.64875 0.85118 0.05736  -0.02949 0.06891  669 THR A O   
405  C CB  . THR A 92  ? 0.80493 0.76875 0.80095 0.12371  -0.06919 -0.05755 669 THR A CB  
406  O OG1 . THR A 92  ? 0.80816 0.73992 0.77839 0.11643  -0.08403 -0.01536 669 THR A OG1 
407  C CG2 . THR A 92  ? 0.81720 0.82431 0.72342 0.16971  -0.07093 -0.08730 669 THR A CG2 
408  N N   . LEU A 93  ? 0.67964 0.86808 0.80185 0.06598  -0.03163 -0.10032 670 LEU A N   
409  C CA  . LEU A 93  ? 0.67411 0.81069 0.80451 0.04604  -0.02377 -0.08919 670 LEU A CA  
410  C C   . LEU A 93  ? 0.64463 0.78548 0.77978 0.04605  -0.00828 -0.06490 670 LEU A C   
411  O O   . LEU A 93  ? 0.66615 0.77689 0.79400 0.04867  0.00565  -0.04839 670 LEU A O   
412  C CB  . LEU A 93  ? 0.68922 0.80257 0.83889 0.01932  -0.03916 -0.10787 670 LEU A CB  
413  C CG  . LEU A 93  ? 0.65056 0.71443 0.80817 -0.00063 -0.03315 -0.09600 670 LEU A CG  
414  C CD1 . LEU A 93  ? 0.67885 0.70847 0.81859 0.00987  -0.02443 -0.08884 670 LEU A CD1 
415  C CD2 . LEU A 93  ? 0.61459 0.65585 0.79359 -0.02532 -0.04922 -0.11122 670 LEU A CD2 
416  N N   . GLU A 94  ? 0.63773 0.81908 0.78544 0.04500  -0.01111 -0.06428 671 GLU A N   
417  C CA  . GLU A 94  ? 0.65084 0.83705 0.80250 0.04881  0.00347  -0.04384 671 GLU A CA  
418  C C   . GLU A 94  ? 0.60290 0.77923 0.73756 0.07371  0.01941  -0.02429 671 GLU A C   
419  O O   . GLU A 94  ? 0.62268 0.76943 0.75521 0.07450  0.03227  -0.01142 671 GLU A O   
420  C CB  . GLU A 94  ? 0.66528 0.90820 0.83353 0.04862  -0.00202 -0.04542 671 GLU A CB  
421  C CG  . GLU A 94  ? 0.79368 1.05227 0.96100 0.06587  0.01422  -0.02437 671 GLU A CG  
422  C CD  . GLU A 94  ? 0.87787 1.18993 1.06729 0.05890  0.01108  -0.02362 671 GLU A CD  
423  O OE1 . GLU A 94  ? 0.89778 1.20316 1.10312 0.03487  0.01045  -0.02404 671 GLU A OE1 
424  O OE2 . GLU A 94  ? 0.87214 1.23817 1.06376 0.07882  0.01028  -0.01947 671 GLU A OE2 
425  N N   . GLU A 95  ? 0.60832 0.80892 0.73157 0.09406  0.01853  -0.02167 672 GLU A N   
426  C CA  . GLU A 95  ? 0.61700 0.80575 0.72865 0.11532  0.03431  0.00231  672 GLU A CA  
427  C C   . GLU A 95  ? 0.64792 0.78309 0.75454 0.10540  0.04152  0.00687  672 GLU A C   
428  O O   . GLU A 95  ? 0.62898 0.73167 0.73594 0.10743  0.05429  0.02215  672 GLU A O   
429  C CB  . GLU A 95  ? 0.63606 0.87069 0.73677 0.13946  0.03231  0.00831  672 GLU A CB  
430  C CG  . GLU A 95  ? 0.64769 0.94384 0.75158 0.15611  0.02724  0.00939  672 GLU A CG  
431  C CD  . GLU A 95  ? 0.72356 1.07438 0.81381 0.17850  0.02081  0.00841  672 GLU A CD  
432  O OE1 . GLU A 95  ? 0.72052 1.06163 0.80004 0.17790  0.01820  0.00110  672 GLU A OE1 
433  O OE2 . GLU A 95  ? 0.77519 1.18439 0.86442 0.19909  0.01837  0.01490  672 GLU A OE2 
434  N N   . ARG A 96  ? 0.62641 0.75341 0.72908 0.09607  0.03257  -0.00781 673 ARG A N   
435  C CA  . ARG A 96  ? 0.67534 0.76110 0.77488 0.08743  0.03840  -0.00345 673 ARG A CA  
436  C C   . ARG A 96  ? 0.69194 0.73875 0.79859 0.06847  0.04132  -0.00532 673 ARG A C   
437  O O   . ARG A 96  ? 0.67206 0.68833 0.77805 0.06497  0.05034  0.00412  673 ARG A O   
438  C CB  . ARG A 96  ? 0.65869 0.74789 0.75238 0.08532  0.02742  -0.02066 673 ARG A CB  
439  C CG  . ARG A 96  ? 0.69742 0.83497 0.78038 0.10743  0.02293  -0.02381 673 ARG A CG  
440  C CD  . ARG A 96  ? 0.70775 0.84868 0.78238 0.11058  0.01223  -0.04461 673 ARG A CD  
441  N NE  . ARG A 96  ? 0.74595 0.89118 0.82405 0.10332  -0.00710 -0.07647 673 ARG A NE  
442  C CZ  . ARG A 96  ? 0.73692 0.84463 0.82096 0.08774  -0.01720 -0.09493 673 ARG A CZ  
443  N NH1 . ARG A 96  ? 0.69405 0.76330 0.77896 0.07938  -0.01010 -0.08530 673 ARG A NH1 
444  N NH2 . ARG A 96  ? 0.77309 0.88244 0.86389 0.08054  -0.03566 -0.12344 673 ARG A NH2 
445  N N   . THR A 97  ? 0.66458 0.71664 0.77932 0.05570  0.03355  -0.01690 674 THR A N   
446  C CA  . THR A 97  ? 0.65926 0.68491 0.77868 0.04048  0.03710  -0.01626 674 THR A CA  
447  C C   . THR A 97  ? 0.65228 0.67643 0.77140 0.05026  0.04942  -0.00487 674 THR A C   
448  O O   . THR A 97  ? 0.66843 0.66464 0.78485 0.04541  0.05585  -0.00328 674 THR A O   
449  C CB  . THR A 97  ? 0.65986 0.69598 0.79126 0.02319  0.02661  -0.02643 674 THR A CB  
450  O OG1 . THR A 97  ? 0.60102 0.63045 0.73345 0.01654  0.01367  -0.04022 674 THR A OG1 
451  C CG2 . THR A 97  ? 0.54864 0.56483 0.68313 0.00896  0.03145  -0.02156 674 THR A CG2 
452  N N   . GLU A 98  ? 0.62501 0.67974 0.74604 0.06659  0.05217  0.00151  675 GLU A N   
453  C CA  . GLU A 98  ? 0.67078 0.72003 0.79135 0.08025  0.06380  0.01104  675 GLU A CA  
454  C C   . GLU A 98  ? 0.64822 0.65688 0.76294 0.08784  0.07346  0.02074  675 GLU A C   
455  O O   . GLU A 98  ? 0.67676 0.65804 0.79058 0.09089  0.08089  0.02053  675 GLU A O   
456  C CB  . GLU A 98  ? 0.62710 0.72102 0.75154 0.10025  0.06490  0.01834  675 GLU A CB  
457  C CG  . GLU A 98  ? 0.71625 0.80087 0.83947 0.12027  0.07740  0.02803  675 GLU A CG  
458  C CD  . GLU A 98  ? 0.75877 0.89260 0.88619 0.14407  0.07904  0.03735  675 GLU A CD  
459  O OE1 . GLU A 98  ? 0.74071 0.91685 0.87030 0.14741  0.07084  0.03837  675 GLU A OE1 
460  O OE2 . GLU A 98  ? 0.73583 0.86877 0.86365 0.16181  0.08803  0.04201  675 GLU A OE2 
461  N N   . THR A 99  ? 0.64673 0.65325 0.75892 0.09065  0.07311  0.02850  676 THR A N   
462  C CA  . THR A 99  ? 0.71868 0.68932 0.83157 0.09279  0.08212  0.04111  676 THR A CA  
463  C C   . THR A 99  ? 0.67985 0.61496 0.79359 0.07235  0.08047  0.02947  676 THR A C   
464  O O   . THR A 99  ? 0.68267 0.58337 0.79946 0.07082  0.08638  0.02963  676 THR A O   
465  C CB  . THR A 99  ? 0.67889 0.66857 0.79024 0.10046  0.08303  0.05560  676 THR A CB  
466  O OG1 . THR A 99  ? 0.64533 0.67917 0.75323 0.12063  0.08202  0.06319  676 THR A OG1 
467  C CG2 . THR A 99  ? 0.67051 0.62831 0.78894 0.10257  0.09440  0.07647  676 THR A CG2 
468  N N   . LEU A 100 ? 0.63318 0.57643 0.74450 0.05788  0.07140  0.01790  677 LEU A N   
469  C CA  . LEU A 100 ? 0.65846 0.57732 0.76937 0.04101  0.06881  0.00812  677 LEU A CA  
470  C C   . LEU A 100 ? 0.66984 0.57192 0.77926 0.03918  0.07217  0.00009  677 LEU A C   
471  O O   . LEU A 100 ? 0.66538 0.54172 0.77530 0.03201  0.07373  -0.00521 677 LEU A O   
472  C CB  . LEU A 100 ? 0.70590 0.63725 0.81436 0.03041  0.05842  -0.00186 677 LEU A CB  
473  C CG  . LEU A 100 ? 0.69649 0.63735 0.80399 0.03308  0.05483  0.00065  677 LEU A CG  
474  C CD1 . LEU A 100 ? 0.68613 0.63225 0.79167 0.02633  0.04333  -0.01177 677 LEU A CD1 
475  C CD2 . LEU A 100 ? 0.69748 0.62094 0.80839 0.02756  0.05988  0.00711  677 LEU A CD2 
476  N N   . LYS A 101 ? 0.64712 0.56895 0.75520 0.04602  0.07271  -0.00254 678 LYS A N   
477  C CA  . LYS A 101 ? 0.69700 0.61203 0.80096 0.04684  0.07605  -0.01174 678 LYS A CA  
478  C C   . LYS A 101 ? 0.70869 0.59087 0.81232 0.05805  0.08335  -0.01385 678 LYS A C   
479  O O   . LYS A 101 ? 0.71128 0.58101 0.80928 0.05894  0.08462  -0.02748 678 LYS A O   
480  C CB  . LYS A 101 ? 0.73592 0.68744 0.84133 0.05351  0.07688  -0.01116 678 LYS A CB  
481  C CG  . LYS A 101 ? 0.68578 0.64507 0.79179 0.07706  0.08507  -0.00730 678 LYS A CG  
482  C CD  . LYS A 101 ? 0.67504 0.67500 0.78268 0.08211  0.08701  -0.00914 678 LYS A CD  
483  C CE  . LYS A 101 ? 0.67372 0.68907 0.78238 0.10984  0.09489  -0.00471 678 LYS A CE  
484  N NZ  . LYS A 101 ? 0.69778 0.73526 0.81401 0.11707  0.09235  0.00784  678 LYS A NZ  
485  N N   . HIS A 102 ? 0.68748 0.55471 0.79745 0.06697  0.08782  -0.00078 679 HIS A N   
486  C CA  . HIS A 102 ? 0.71200 0.53863 0.82613 0.07594  0.09425  -0.00115 679 HIS A CA  
487  C C   . HIS A 102 ? 0.69628 0.48838 0.81725 0.05730  0.09158  -0.00687 679 HIS A C   
488  O O   . HIS A 102 ? 0.69311 0.44475 0.82044 0.05958  0.09438  -0.01294 679 HIS A O   
489  C CB  . HIS A 102 ? 0.68883 0.51314 0.80964 0.09482  0.10165  0.02117  679 HIS A CB  
490  C CG  . HIS A 102 ? 0.70481 0.55845 0.82102 0.11794  0.10506  0.02415  679 HIS A CG  
491  N ND1 . HIS A 102 ? 0.75315 0.65912 0.86655 0.11842  0.10039  0.02608  679 HIS A ND1 
492  C CD2 . HIS A 102 ? 0.70566 0.54638 0.82112 0.14160  0.11180  0.02359  679 HIS A CD2 
493  C CE1 . HIS A 102 ? 0.72789 0.65854 0.84061 0.13984  0.10435  0.02862  679 HIS A CE1 
494  N NE2 . HIS A 102 ? 0.71863 0.61115 0.83113 0.15650  0.11194  0.02765  679 HIS A NE2 
495  N N   . ILE A 103 ? 0.70015 0.50745 0.82185 0.03955  0.08551  -0.00611 680 ILE A N   
496  C CA  . ILE A 103 ? 0.67259 0.45938 0.80431 0.02117  0.08258  -0.00851 680 ILE A CA  
497  C C   . ILE A 103 ? 0.70463 0.48575 0.82928 0.01067  0.07572  -0.03330 680 ILE A C   
498  O O   . ILE A 103 ? 0.65746 0.46516 0.76942 0.01009  0.07146  -0.04080 680 ILE A O   
499  C CB  . ILE A 103 ? 0.70767 0.52067 0.84270 0.01234  0.07978  0.00422  680 ILE A CB  
500  C CG1 . ILE A 103 ? 0.67459 0.50458 0.81216 0.02680  0.08603  0.02696  680 ILE A CG1 
501  C CG2 . ILE A 103 ? 0.68664 0.48747 0.83552 -0.00631 0.07744  0.00390  680 ILE A CG2 
502  C CD1 . ILE A 103 ? 0.68259 0.48566 0.83261 0.03485  0.09550  0.04447  680 ILE A CD1 
503  N N   . ARG A 104 ? 0.71129 0.45888 0.84551 0.00201  0.07415  -0.04543 681 ARG A N   
504  C CA  . ARG A 104 ? 0.72243 0.46574 0.84747 -0.00262 0.06721  -0.07393 681 ARG A CA  
505  C C   . ARG A 104 ? 0.69607 0.47041 0.81588 -0.01776 0.05875  -0.07911 681 ARG A C   
506  O O   . ARG A 104 ? 0.71055 0.50195 0.81531 -0.01614 0.05384  -0.09662 681 ARG A O   
507  C CB  . ARG A 104 ? 0.70238 0.39870 0.84188 -0.00939 0.06503  -0.09013 681 ARG A CB  
508  C CG  . ARG A 104 ? 0.70379 0.39831 0.85860 -0.03559 0.05597  -0.09864 681 ARG A CG  
509  C CD  . ARG A 104 ? 0.72958 0.38052 0.89648 -0.04444 0.04916  -0.12721 681 ARG A CD  
510  N NE  . ARG A 104 ? 0.74907 0.34508 0.93592 -0.04052 0.05595  -0.11726 681 ARG A NE  
511  C CZ  . ARG A 104 ? 0.80660 0.36196 0.98800 -0.02206 0.05739  -0.13612 681 ARG A CZ  
512  N NH1 . ARG A 104 ? 0.80570 0.37540 0.96111 -0.00518 0.05317  -0.16701 681 ARG A NH1 
513  N NH2 . ARG A 104 ? 0.80206 0.30271 1.00466 -0.01827 0.06380  -0.12221 681 ARG A NH2 
514  N N   . TRP A 105 ? 0.66422 0.45058 0.79512 -0.02915 0.05760  -0.06267 682 TRP A N   
515  C CA  . TRP A 105 ? 0.66016 0.47584 0.78691 -0.03957 0.04979  -0.06561 682 TRP A CA  
516  C C   . TRP A 105 ? 0.65948 0.50202 0.76927 -0.03031 0.04919  -0.05997 682 TRP A C   
517  O O   . TRP A 105 ? 0.61099 0.47485 0.71380 -0.03482 0.04286  -0.06299 682 TRP A O   
518  C CB  . TRP A 105 ? 0.61904 0.44396 0.76318 -0.05046 0.04966  -0.04932 682 TRP A CB  
519  C CG  . TRP A 105 ? 0.63396 0.43188 0.80090 -0.06075 0.05316  -0.04470 682 TRP A CG  
520  C CD1 . TRP A 105 ? 0.59609 0.38754 0.77735 -0.05848 0.06190  -0.02032 682 TRP A CD1 
521  C CD2 . TRP A 105 ? 0.64670 0.41862 0.82675 -0.07523 0.04779  -0.06425 682 TRP A CD2 
522  N NE1 . TRP A 105 ? 0.66879 0.42899 0.87404 -0.07237 0.06355  -0.01857 682 TRP A NE1 
523  C CE2 . TRP A 105 ? 0.65605 0.40049 0.86234 -0.08419 0.05393  -0.04783 682 TRP A CE2 
524  C CE3 . TRP A 105 ? 0.63835 0.41013 0.81092 -0.08139 0.03759  -0.09462 682 TRP A CE3 
525  C CZ2 . TRP A 105 ? 0.68241 0.39081 0.91165 -0.10229 0.04936  -0.06178 682 TRP A CZ2 
526  C CZ3 . TRP A 105 ? 0.64401 0.38445 0.83599 -0.09731 0.03172  -0.11369 682 TRP A CZ3 
527  C CH2 . TRP A 105 ? 0.67931 0.38456 0.90112 -0.10913 0.03718  -0.09775 682 TRP A CH2 
528  N N   . VAL A 106 ? 0.68881 0.53190 0.79426 -0.01811 0.05509  -0.05045 683 VAL A N   
529  C CA  . VAL A 106 ? 0.65892 0.52481 0.75568 -0.01399 0.05355  -0.04292 683 VAL A CA  
530  C C   . VAL A 106 ? 0.65412 0.53248 0.73852 -0.00996 0.05381  -0.05153 683 VAL A C   
531  O O   . VAL A 106 ? 0.72677 0.59960 0.80781 -0.00057 0.05884  -0.05904 683 VAL A O   
532  C CB  . VAL A 106 ? 0.64863 0.51808 0.74922 -0.00489 0.05772  -0.03057 683 VAL A CB  
533  C CG1 . VAL A 106 ? 0.63315 0.52228 0.72968 -0.00518 0.05365  -0.02633 683 VAL A CG1 
534  C CG2 . VAL A 106 ? 0.66551 0.53204 0.77563 -0.00565 0.05856  -0.02033 683 VAL A CG2 
535  N N   . ASP A 107 ? 0.62768 0.52522 0.70518 -0.01466 0.04911  -0.04881 684 ASP A N   
536  C CA  . ASP A 107 ? 0.63700 0.55627 0.70278 -0.01033 0.05079  -0.05120 684 ASP A CA  
537  C C   . ASP A 107 ? 0.65954 0.59596 0.72833 -0.00983 0.05328  -0.03497 684 ASP A C   
538  O O   . ASP A 107 ? 0.58737 0.54476 0.65192 -0.00366 0.05869  -0.03375 684 ASP A O   
539  C CB  . ASP A 107 ? 0.65570 0.59159 0.71210 -0.01487 0.04476  -0.05478 684 ASP A CB  
540  C CG  . ASP A 107 ? 0.69943 0.62656 0.75444 -0.01773 0.04023  -0.07619 684 ASP A CG  
541  O OD1 . ASP A 107 ? 0.71404 0.62776 0.76735 -0.01233 0.04279  -0.09327 684 ASP A OD1 
542  O OD2 . ASP A 107 ? 0.73796 0.67167 0.79549 -0.02544 0.03315  -0.07698 684 ASP A OD2 
543  N N   . GLU A 108 ? 0.67437 0.60425 0.75217 -0.01610 0.04896  -0.02392 685 GLU A N   
544  C CA  . GLU A 108 ? 0.56183 0.50343 0.64737 -0.02069 0.04811  -0.01064 685 GLU A CA  
545  C C   . GLU A 108 ? 0.59168 0.51829 0.68744 -0.02274 0.04265  -0.00967 685 GLU A C   
546  O O   . GLU A 108 ? 0.63650 0.54862 0.73116 -0.02142 0.03884  -0.01350 685 GLU A O   
547  C CB  . GLU A 108 ? 0.57044 0.52282 0.65329 -0.02714 0.04541  0.00199  685 GLU A CB  
548  C CG  . GLU A 108 ? 0.62511 0.60275 0.69389 -0.02206 0.05029  0.00067  685 GLU A CG  
549  C CD  . GLU A 108 ? 0.75262 0.74994 0.81932 -0.02645 0.04980  0.02100  685 GLU A CD  
550  O OE1 . GLU A 108 ? 0.78129 0.76136 0.85618 -0.03291 0.04389  0.03345  685 GLU A OE1 
551  O OE2 . GLU A 108 ? 0.84473 0.87603 0.90137 -0.02133 0.05575  0.02589  685 GLU A OE2 
552  N N   . ILE A 109 ? 0.55722 0.49356 0.66337 -0.02521 0.04171  -0.00574 686 ILE A N   
553  C CA  . ILE A 109 ? 0.59399 0.52220 0.70814 -0.02528 0.03466  -0.00951 686 ILE A CA  
554  C C   . ILE A 109 ? 0.57337 0.50055 0.70040 -0.03760 0.02679  -0.00411 686 ILE A C   
555  O O   . ILE A 109 ? 0.61887 0.56429 0.75553 -0.04640 0.02903  0.00491  686 ILE A O   
556  C CB  . ILE A 109 ? 0.58689 0.52886 0.70397 -0.01610 0.03774  -0.01370 686 ILE A CB  
557  C CG1 . ILE A 109 ? 0.59929 0.53265 0.70756 -0.00465 0.04560  -0.01588 686 ILE A CG1 
558  C CG2 . ILE A 109 ? 0.54495 0.48737 0.66813 -0.01520 0.02840  -0.02005 686 ILE A CG2 
559  C CD1 . ILE A 109 ? 0.64332 0.58871 0.75375 0.00803  0.05062  -0.01452 686 ILE A CD1 
560  N N   . ILE A 110 ? 0.57774 0.48422 0.70693 -0.03793 0.01761  -0.00944 687 ILE A N   
561  C CA  . ILE A 110 ? 0.59721 0.49212 0.74195 -0.04916 0.00725  -0.00958 687 ILE A CA  
562  C C   . ILE A 110 ? 0.64069 0.54147 0.78935 -0.04357 -0.00045 -0.02705 687 ILE A C   
563  O O   . ILE A 110 ? 0.62188 0.51313 0.76121 -0.03083 -0.00456 -0.03859 687 ILE A O   
564  C CB  . ILE A 110 ? 0.62537 0.48961 0.76879 -0.04924 0.00107  -0.00577 687 ILE A CB  
565  C CG1 . ILE A 110 ? 0.64415 0.51199 0.78438 -0.05452 0.00794  0.01468  687 ILE A CG1 
566  C CG2 . ILE A 110 ? 0.63709 0.47767 0.79804 -0.05847 -0.01197 -0.01179 687 ILE A CG2 
567  C CD1 . ILE A 110 ? 0.71729 0.55885 0.85474 -0.05036 0.00278  0.02246  687 ILE A CD1 
568  N N   . SER A 111 ? 0.59849 0.52357 0.76043 -0.05118 -0.00210 -0.02858 688 SER A N   
569  C CA  . SER A 111 ? 0.59831 0.54217 0.76215 -0.04359 -0.00914 -0.04495 688 SER A CA  
570  C C   . SER A 111 ? 0.64708 0.60154 0.83529 -0.06175 -0.02133 -0.05185 688 SER A C   
571  O O   . SER A 111 ? 0.58536 0.56506 0.78861 -0.07448 -0.01709 -0.03985 688 SER A O   
572  C CB  . SER A 111 ? 0.63402 0.60868 0.78862 -0.02950 0.00214  -0.04013 688 SER A CB  
573  O OG  . SER A 111 ? 0.65504 0.65712 0.81114 -0.02012 -0.00427 -0.05208 688 SER A OG  
574  N N   . PRO A 112 ? 0.65013 0.58835 0.84459 -0.06359 -0.03727 -0.07259 689 PRO A N   
575  C CA  . PRO A 112 ? 0.63260 0.54659 0.80912 -0.04546 -0.04204 -0.08733 689 PRO A CA  
576  C C   . PRO A 112 ? 0.66004 0.53021 0.83453 -0.04855 -0.04089 -0.07741 689 PRO A C   
577  O O   . PRO A 112 ? 0.66301 0.51820 0.85260 -0.06699 -0.03960 -0.06095 689 PRO A O   
578  C CB  . PRO A 112 ? 0.59836 0.51310 0.78508 -0.04712 -0.06158 -0.11662 689 PRO A CB  
579  C CG  . PRO A 112 ? 0.55789 0.46628 0.77574 -0.07687 -0.06950 -0.11255 689 PRO A CG  
580  C CD  . PRO A 112 ? 0.61545 0.55764 0.83730 -0.08425 -0.05307 -0.08515 689 PRO A CD  
581  N N   . CYS A 113 ? 0.70313 0.55922 0.85989 -0.02933 -0.04078 -0.08467 690 CYS A N   
582  C CA  . CYS A 113 ? 0.68870 0.50746 0.84279 -0.02691 -0.04178 -0.07776 690 CYS A CA  
583  C C   . CYS A 113 ? 0.68229 0.47236 0.83782 -0.01680 -0.05768 -0.10238 690 CYS A C   
584  O O   . CYS A 113 ? 0.69401 0.50139 0.84441 -0.00538 -0.06581 -0.12686 690 CYS A O   
585  C CB  . CYS A 113 ? 0.68542 0.51474 0.82002 -0.01113 -0.02966 -0.06730 690 CYS A CB  
586  S SG  . CYS A 113 ? 0.69908 0.55094 0.81698 0.01523  -0.03106 -0.08624 690 CYS A SG  
587  N N   . PRO A 114 ? 0.70746 0.45488 0.86848 -0.01751 -0.06262 -0.09709 691 PRO A N   
588  C CA  . PRO A 114 ? 0.77846 0.49104 0.94043 -0.00391 -0.07848 -0.12333 691 PRO A CA  
589  C C   . PRO A 114 ? 0.80777 0.54349 0.94486 0.02799  -0.07580 -0.13793 691 PRO A C   
590  O O   . PRO A 114 ? 0.75611 0.52316 0.87950 0.03596  -0.06149 -0.12136 691 PRO A O   
591  C CB  . PRO A 114 ? 0.75793 0.42063 0.93059 -0.00928 -0.08007 -0.10433 691 PRO A CB  
592  C CG  . PRO A 114 ? 0.68768 0.36532 0.86950 -0.03217 -0.06729 -0.06990 691 PRO A CG  
593  C CD  . PRO A 114 ? 0.71531 0.44588 0.88018 -0.02676 -0.05414 -0.06703 691 PRO A CD  
594  N N   . TRP A 115 ? 0.83624 0.55901 0.96895 0.04625  -0.09012 -0.17023 692 TRP A N   
595  C CA  . TRP A 115 ? 0.86941 0.62953 0.97854 0.07786  -0.08624 -0.18323 692 TRP A CA  
596  C C   . TRP A 115 ? 0.90494 0.65522 1.00416 0.09764  -0.07970 -0.17054 692 TRP A C   
597  O O   . TRP A 115 ? 0.87623 0.66883 0.96245 0.11010  -0.06672 -0.15759 692 TRP A O   
598  C CB  . TRP A 115 ? 0.95159 0.71428 1.05481 0.09615  -0.10328 -0.22505 692 TRP A CB  
599  C CG  . TRP A 115 ? 0.97404 0.79358 1.05241 0.12832  -0.09676 -0.23440 692 TRP A CG  
600  C CD1 . TRP A 115 ? 0.97901 0.80422 1.04128 0.16234  -0.09962 -0.25132 692 TRP A CD1 
601  C CD2 . TRP A 115 ? 0.98728 0.86951 1.05544 0.13092  -0.08495 -0.22332 692 TRP A CD2 
602  N NE1 . TRP A 115 ? 0.95282 0.84581 0.99628 0.18419  -0.08971 -0.25006 692 TRP A NE1 
603  C CE2 . TRP A 115 ? 0.98581 0.91145 1.03310 0.16480  -0.08063 -0.23159 692 TRP A CE2 
604  C CE3 . TRP A 115 ? 1.00587 0.91271 1.08111 0.11013  -0.07710 -0.20552 692 TRP A CE3 
605  C CZ2 . TRP A 115 ? 0.99763 0.98817 1.03276 0.17576  -0.06836 -0.21895 692 TRP A CZ2 
606  C CZ3 . TRP A 115 ? 0.97551 0.94133 1.03750 0.12344  -0.06575 -0.19527 692 TRP A CZ3 
607  C CH2 . TRP A 115 ? 0.97143 0.97736 1.01446 0.15457  -0.06131 -0.20024 692 TRP A CH2 
608  N N   . VAL A 116 ? 0.90317 0.60012 1.01055 0.10085  -0.08851 -0.17220 693 VAL A N   
609  C CA  . VAL A 116 ? 0.90414 0.59532 1.00337 0.12130  -0.08281 -0.15765 693 VAL A CA  
610  C C   . VAL A 116 ? 0.86378 0.52896 0.97549 0.09991  -0.07664 -0.12319 693 VAL A C   
611  O O   . VAL A 116 ? 0.83759 0.45843 0.96738 0.07936  -0.08378 -0.11805 693 VAL A O   
612  C CB  . VAL A 116 ? 0.89085 0.54546 0.98567 0.15201  -0.09688 -0.18509 693 VAL A CB  
613  C CG1 . VAL A 116 ? 0.98304 0.62423 1.07978 0.15392  -0.11329 -0.22550 693 VAL A CG1 
614  C CG2 . VAL A 116 ? 0.85866 0.44993 0.96737 0.14839  -0.10177 -0.16823 693 VAL A CG2 
615  N N   . VAL A 117 ? 0.83558 0.53288 0.93891 0.10443  -0.06375 -0.09920 694 VAL A N   
616  C CA  . VAL A 117 ? 0.81673 0.50116 0.92718 0.08919  -0.05781 -0.06736 694 VAL A CA  
617  C C   . VAL A 117 ? 0.87593 0.51083 0.99161 0.10466  -0.06612 -0.06102 694 VAL A C   
618  O O   . VAL A 117 ? 0.89362 0.51838 1.00193 0.13485  -0.07268 -0.07827 694 VAL A O   
619  C CB  . VAL A 117 ? 0.81185 0.54806 0.91197 0.09071  -0.04457 -0.04965 694 VAL A CB  
620  C CG1 . VAL A 117 ? 0.82215 0.55467 0.92628 0.07618  -0.03925 -0.02017 694 VAL A CG1 
621  C CG2 . VAL A 117 ? 0.76205 0.53861 0.85866 0.07869  -0.03661 -0.05571 694 VAL A CG2 
622  N N   . THR A 118 ? 0.87704 0.48292 1.00549 0.08648  -0.06510 -0.03404 695 THR A N   
623  C CA  . THR A 118 ? 0.87826 0.43248 1.01505 0.09823  -0.07143 -0.01857 695 THR A CA  
624  C C   . THR A 118 ? 0.90323 0.47480 1.03929 0.09120  -0.06128 0.02256  695 THR A C   
625  O O   . THR A 118 ? 0.85920 0.47096 0.99291 0.07004  -0.05139 0.03634  695 THR A O   
626  C CB  . THR A 118 ? 0.90931 0.39717 1.06999 0.08055  -0.08344 -0.02412 695 THR A CB  
627  O OG1 . THR A 118 ? 0.97082 0.46771 1.14656 0.04453  -0.07676 0.00095  695 THR A OG1 
628  C CG2 . THR A 118 ? 0.86962 0.34572 1.03124 0.08435  -0.09585 -0.06933 695 THR A CG2 
629  N N   . PRO A 119 ? 0.99077 0.53337 1.12814 0.11104  -0.06391 0.04278  696 PRO A N   
630  C CA  . PRO A 119 ? 0.97926 0.54088 1.11561 0.10588  -0.05515 0.08494  696 PRO A CA  
631  C C   . PRO A 119 ? 0.97707 0.52805 1.12994 0.07096  -0.05072 0.10842  696 PRO A C   
632  O O   . PRO A 119 ? 0.95836 0.55822 1.10389 0.05846  -0.04007 0.12952  696 PRO A O   
633  C CB  . PRO A 119 ? 1.00850 0.52649 1.14739 0.13603  -0.06124 0.10136  696 PRO A CB  
634  C CG  . PRO A 119 ? 1.00151 0.49834 1.13506 0.16416  -0.07118 0.06194  696 PRO A CG  
635  C CD  . PRO A 119 ? 0.99021 0.48098 1.12962 0.14172  -0.07541 0.02797  696 PRO A CD  
636  N N   . GLU A 120 ? 0.92400 0.41568 1.10036 0.05493  -0.05922 0.10381  697 GLU A N   
637  C CA  . GLU A 120 ? 0.90095 0.39118 1.09784 0.01867  -0.05491 0.12474  697 GLU A CA  
638  C C   . GLU A 120 ? 0.86260 0.41885 1.04782 0.00250  -0.04527 0.11477  697 GLU A C   
639  O O   . GLU A 120 ? 0.83788 0.43514 1.01964 -0.00944 -0.03385 0.14220  697 GLU A O   
640  C CB  . GLU A 120 ? 0.90835 0.33495 1.13463 -0.00009 -0.06831 0.10728  697 GLU A CB  
641  C CG  . GLU A 120 ? 1.01557 0.37759 1.25114 0.00847  -0.07421 0.12174  697 GLU A CG  
642  C CD  . GLU A 120 ? 1.08976 0.43530 1.30591 0.05211  -0.07829 0.11283  697 GLU A CD  
643  O OE1 . GLU A 120 ? 1.05721 0.43819 1.25639 0.07159  -0.07974 0.08450  697 GLU A OE1 
644  O OE2 . GLU A 120 ? 1.15619 0.46352 1.37017 0.06748  -0.07795 0.13449  697 GLU A OE2 
645  N N   . PHE A 121 ? 0.82872 0.39762 1.00617 0.00555  -0.04955 0.07559  698 PHE A N   
646  C CA  . PHE A 121 ? 0.77208 0.39580 0.94002 -0.00725 -0.04092 0.06576  698 PHE A CA  
647  C C   . PHE A 121 ? 0.83767 0.51295 0.98528 0.00061  -0.02896 0.08328  698 PHE A C   
648  O O   . PHE A 121 ? 0.78211 0.49461 0.92733 -0.01457 -0.01968 0.09380  698 PHE A O   
649  C CB  . PHE A 121 ? 0.79901 0.42993 0.95851 0.00295  -0.04675 0.02593  698 PHE A CB  
650  C CG  . PHE A 121 ? 0.77412 0.45486 0.92492 -0.00689 -0.03812 0.01684  698 PHE A CG  
651  C CD1 . PHE A 121 ? 0.70406 0.39122 0.86838 -0.02823 -0.03875 0.01091  698 PHE A CD1 
652  C CD2 . PHE A 121 ? 0.76406 0.48499 0.89562 0.00538  -0.02989 0.01479  698 PHE A CD2 
653  C CE1 . PHE A 121 ? 0.74862 0.47892 0.90459 -0.03287 -0.03049 0.00405  698 PHE A CE1 
654  C CE2 . PHE A 121 ? 0.74220 0.49979 0.86783 -0.00260 -0.02224 0.00730  698 PHE A CE2 
655  C CZ  . PHE A 121 ? 0.76257 0.52357 0.89902 -0.01964 -0.02207 0.00261  698 PHE A CZ  
656  N N   . LEU A 122 ? 0.81516 0.49580 0.94871 0.02549  -0.03002 0.08493  699 LEU A N   
657  C CA  . LEU A 122 ? 0.79729 0.52975 0.91321 0.03286  -0.02184 0.09704  699 LEU A CA  
658  C C   . LEU A 122 ? 0.78939 0.53788 0.90620 0.02327  -0.01486 0.13280  699 LEU A C   
659  O O   . LEU A 122 ? 0.74529 0.53981 0.85199 0.01463  -0.00689 0.13591  699 LEU A O   
660  C CB  . LEU A 122 ? 0.80224 0.54018 0.90785 0.06143  -0.02604 0.09427  699 LEU A CB  
661  C CG  . LEU A 122 ? 0.76914 0.51401 0.86991 0.07524  -0.02990 0.06255  699 LEU A CG  
662  C CD1 . LEU A 122 ? 0.79873 0.56871 0.89024 0.10170  -0.03135 0.06746  699 LEU A CD1 
663  C CD2 . LEU A 122 ? 0.71541 0.49800 0.81155 0.05987  -0.02361 0.04580  699 LEU A CD2 
664  N N   . GLU A 123 ? 0.78682 0.49919 0.91504 0.02716  -0.01755 0.16095  700 GLU A N   
665  C CA  . GLU A 123 ? 0.80226 0.53522 0.93236 0.01878  -0.00940 0.20106  700 GLU A CA  
666  C C   . GLU A 123 ? 0.83333 0.58157 0.97493 -0.00976 -0.00268 0.20413  700 GLU A C   
667  O O   . GLU A 123 ? 0.84806 0.64824 0.97913 -0.01475 0.00714  0.21911  700 GLU A O   
668  C CB  . GLU A 123 ? 0.76271 0.44574 0.90828 0.02661  -0.01312 0.23521  700 GLU A CB  
669  N N   . LYS A 124 ? 0.77679 0.48625 0.93946 -0.02680 -0.00844 0.18773  701 LYS A N   
670  C CA  . LYS A 124 ? 0.81963 0.54762 0.99785 -0.05367 -0.00262 0.19398  701 LYS A CA  
671  C C   . LYS A 124 ? 0.80123 0.59051 0.95900 -0.05344 0.00659  0.17906  701 LYS A C   
672  O O   . LYS A 124 ? 0.77633 0.60585 0.93512 -0.06416 0.01655  0.19816  701 LYS A O   
673  C CB  . LYS A 124 ? 0.83688 0.52162 1.03931 -0.07000 -0.01315 0.16975  701 LYS A CB  
674  C CG  . LYS A 124 ? 0.81004 0.52984 1.01856 -0.08872 -0.00942 0.15293  701 LYS A CG  
675  C CD  . LYS A 124 ? 0.82765 0.50904 1.06595 -0.10831 -0.02168 0.13560  701 LYS A CD  
676  C CE  . LYS A 124 ? 0.80806 0.53020 1.06305 -0.13229 -0.01655 0.13760  701 LYS A CE  
677  N NZ  . LYS A 124 ? 0.77094 0.46250 1.06389 -0.15880 -0.02860 0.13241  701 LYS A NZ  
678  N N   . TYR A 125 ? 0.79695 0.59463 0.93703 -0.04019 0.00377  0.14615  702 TYR A N   
679  C CA  . TYR A 125 ? 0.79584 0.64048 0.91842 -0.03893 0.01105  0.12958  702 TYR A CA  
680  C C   . TYR A 125 ? 0.72361 0.60455 0.82314 -0.02315 0.01436  0.13421  702 TYR A C   
681  O O   . TYR A 125 ? 0.65831 0.57262 0.74355 -0.02111 0.01830  0.11645  702 TYR A O   
682  C CB  . TYR A 125 ? 0.74680 0.58046 0.86841 -0.03728 0.00658  0.09435  702 TYR A CB  
683  C CG  . TYR A 125 ? 0.75679 0.57088 0.89910 -0.05320 0.00308  0.08740  702 TYR A CG  
684  C CD1 . TYR A 125 ? 0.74720 0.59073 0.89405 -0.06522 0.00983  0.08570  702 TYR A CD1 
685  C CD2 . TYR A 125 ? 0.78204 0.55078 0.94031 -0.05518 -0.00805 0.08122  702 TYR A CD2 
686  C CE1 . TYR A 125 ? 0.73908 0.57421 0.90706 -0.08037 0.00556  0.07968  702 TYR A CE1 
687  C CE2 . TYR A 125 ? 0.76694 0.52244 0.94615 -0.07180 -0.01379 0.07151  702 TYR A CE2 
688  C CZ  . TYR A 125 ? 0.79436 0.58666 0.97915 -0.08534 -0.00693 0.07187  702 TYR A CZ  
689  O OH  . TYR A 125 ? 0.75795 0.54707 0.96544 -0.10231 -0.01349 0.06219  702 TYR A OH  
690  N N   . LYS A 126 ? 0.72517 0.60082 0.82217 -0.01187 0.01210  0.15778  703 LYS A N   
691  C CA  . LYS A 126 ? 0.76157 0.67637 0.83778 0.00481  0.01245  0.16072  703 LYS A CA  
692  C C   . LYS A 126 ? 0.68462 0.61195 0.75109 0.01040  0.00861  0.12531  703 LYS A C   
693  O O   . LYS A 126 ? 0.71749 0.68596 0.76985 0.01164  0.01069  0.11295  703 LYS A O   
694  C CB  . LYS A 126 ? 0.79303 0.76085 0.85650 0.00289  0.02130  0.17811  703 LYS A CB  
695  C CG  . LYS A 126 ? 0.83437 0.80053 0.90810 -0.00063 0.02673  0.22280  703 LYS A CG  
696  C CD  . LYS A 126 ? 0.92186 0.95321 0.97521 0.00952  0.03402  0.24448  703 LYS A CD  
697  C CE  . LYS A 126 ? 1.02160 1.05500 1.08686 0.00703  0.04106  0.29710  703 LYS A CE  
698  N NZ  . LYS A 126 ? 1.09843 1.20288 1.13962 0.02386  0.04751  0.32229  703 LYS A NZ  
699  N N   . ILE A 127 ? 0.63122 0.52371 0.70670 0.01356  0.00267  0.10871  704 ILE A N   
700  C CA  . ILE A 127 ? 0.69718 0.60292 0.76788 0.01822  0.00017  0.08137  704 ILE A CA  
701  C C   . ILE A 127 ? 0.69104 0.62023 0.75446 0.03583  -0.00474 0.08515  704 ILE A C   
702  O O   . ILE A 127 ? 0.67502 0.58642 0.74089 0.05088  -0.00899 0.10097  704 ILE A O   
703  C CB  . ILE A 127 ? 0.73287 0.60379 0.81443 0.01728  -0.00310 0.06360  704 ILE A CB  
704  C CG1 . ILE A 127 ? 0.73665 0.60239 0.82378 0.00039  0.00167  0.05460  704 ILE A CG1 
705  C CG2 . ILE A 127 ? 0.66937 0.55734 0.74808 0.02711  -0.00535 0.04508  704 ILE A CG2 
706  C CD1 . ILE A 127 ? 0.76805 0.59983 0.86717 -0.00181 -0.00302 0.04322  704 ILE A CD1 
707  N N   . ASP A 128 ? 0.66026 0.62945 0.71680 0.03419  -0.00487 0.07011  705 ASP A N   
708  C CA  . ASP A 128 ? 0.64377 0.64791 0.69630 0.04826  -0.01044 0.07111  705 ASP A CA  
709  C C   . ASP A 128 ? 0.70965 0.71244 0.77170 0.05453  -0.01354 0.05565  705 ASP A C   
710  O O   . ASP A 128 ? 0.68126 0.69495 0.74434 0.07368  -0.01823 0.06301  705 ASP A O   
711  C CB  . ASP A 128 ? 0.62218 0.67632 0.66532 0.04091  -0.01112 0.06100  705 ASP A CB  
712  C CG  . ASP A 128 ? 0.72265 0.79408 0.75239 0.04178  -0.00803 0.07834  705 ASP A CG  
713  O OD1 . ASP A 128 ? 0.82930 0.90685 0.85439 0.05698  -0.00934 0.10541  705 ASP A OD1 
714  O OD2 . ASP A 128 ? 0.73724 0.81640 0.76135 0.02958  -0.00352 0.06704  705 ASP A OD2 
715  N N   . TYR A 129 ? 0.67146 0.66575 0.74045 0.04123  -0.01020 0.03678  706 TYR A N   
716  C CA  . TYR A 129 ? 0.66756 0.66871 0.74596 0.04693  -0.01101 0.02566  706 TYR A CA  
717  C C   . TYR A 129 ? 0.70266 0.67060 0.78579 0.04153  -0.00699 0.01606  706 TYR A C   
718  O O   . TYR A 129 ? 0.64933 0.60020 0.73151 0.02707  -0.00286 0.01257  706 TYR A O   
719  C CB  . TYR A 129 ? 0.60347 0.64807 0.68945 0.03576  -0.01117 0.01432  706 TYR A CB  
720  C CG  . TYR A 129 ? 0.63462 0.72418 0.71750 0.03875  -0.01723 0.01806  706 TYR A CG  
721  C CD1 . TYR A 129 ? 0.65311 0.75531 0.72592 0.02899  -0.01849 0.01599  706 TYR A CD1 
722  C CD2 . TYR A 129 ? 0.60493 0.73226 0.69427 0.05336  -0.02207 0.02236  706 TYR A CD2 
723  C CE1 . TYR A 129 ? 0.63458 0.78566 0.70263 0.03320  -0.02555 0.01697  706 TYR A CE1 
724  C CE2 . TYR A 129 ? 0.56065 0.73765 0.64783 0.05665  -0.02898 0.02512  706 TYR A CE2 
725  C CZ  . TYR A 129 ? 0.60294 0.79181 0.67904 0.04620  -0.03127 0.02172  706 TYR A CZ  
726  O OH  . TYR A 129 ? 0.55433 0.79954 0.62617 0.05132  -0.03959 0.02247  706 TYR A OH  
727  N N   . VAL A 130 ? 0.64571 0.61274 0.73318 0.05602  -0.00836 0.01115  707 VAL A N   
728  C CA  . VAL A 130 ? 0.66818 0.61878 0.75878 0.05558  -0.00548 0.00033  707 VAL A CA  
729  C C   . VAL A 130 ? 0.67262 0.66128 0.77167 0.05214  -0.00063 -0.00398 707 VAL A C   
730  O O   . VAL A 130 ? 0.70499 0.72930 0.80913 0.06130  -0.00199 -0.00084 707 VAL A O   
731  C CB  . VAL A 130 ? 0.67906 0.60239 0.76697 0.07712  -0.01127 -0.00398 707 VAL A CB  
732  C CG1 . VAL A 130 ? 0.60975 0.52792 0.69830 0.08055  -0.00988 -0.01840 707 VAL A CG1 
733  C CG2 . VAL A 130 ? 0.64984 0.52992 0.73594 0.07483  -0.01596 0.00407  707 VAL A CG2 
734  N N   . ALA A 131 ? 0.67601 0.65978 0.77888 0.03870  0.00543  -0.00829 708 ALA A N   
735  C CA  . ALA A 131 ? 0.71234 0.72596 0.82697 0.03154  0.01179  -0.00703 708 ALA A CA  
736  C C   . ALA A 131 ? 0.75570 0.77023 0.86913 0.04347  0.01582  -0.00914 708 ALA A C   
737  O O   . ALA A 131 ? 0.77154 0.75998 0.87897 0.04178  0.01657  -0.01383 708 ALA A O   
738  C CB  . ALA A 131 ? 0.63867 0.64502 0.75935 0.00812  0.01598  -0.00787 708 ALA A CB  
739  N N   . HIS A 132 ? 0.79523 0.84771 0.91438 0.05670  0.01836  -0.00540 709 HIS A N   
740  C CA  . HIS A 132 ? 0.83896 0.90714 0.95485 0.07239  0.02274  -0.00666 709 HIS A CA  
741  C C   . HIS A 132 ? 0.90993 1.03504 1.03954 0.07696  0.02985  0.00592  709 HIS A C   
742  O O   . HIS A 132 ? 0.87140 1.02169 1.01370 0.06898  0.02911  0.01253  709 HIS A O   
743  C CB  . HIS A 132 ? 0.87878 0.92798 0.97901 0.09779  0.01425  -0.02225 709 HIS A CB  
744  C CG  . HIS A 132 ? 0.98515 1.02838 1.07654 0.10674  0.01451  -0.03208 709 HIS A CG  
745  N ND1 . HIS A 132 ? 0.97168 0.98397 1.06118 0.09195  0.01380  -0.03531 709 HIS A ND1 
746  C CD2 . HIS A 132 ? 0.98086 1.05226 1.06389 0.13128  0.01463  -0.04067 709 HIS A CD2 
747  C CE1 . HIS A 132 ? 0.94993 0.97216 1.03148 0.10546  0.01268  -0.04515 709 HIS A CE1 
748  N NE2 . HIS A 132 ? 0.95586 1.01353 1.03203 0.12977  0.01298  -0.04949 709 HIS A NE2 
749  N N   . ASP A 133 ? 1.17039 1.11018 0.89632 -0.09039 -0.12469 -0.05200 710 ASP A N   
750  C CA  . ASP A 133 ? 1.27558 1.22693 0.98036 -0.08899 -0.10330 -0.04227 710 ASP A CA  
751  C C   . ASP A 133 ? 1.34863 1.30273 1.01925 -0.08576 -0.09077 -0.07606 710 ASP A C   
752  O O   . ASP A 133 ? 1.32036 1.26780 0.96846 -0.08771 -0.10538 -0.10521 710 ASP A O   
753  C CB  . ASP A 133 ? 1.29787 1.27892 0.97552 -0.09006 -0.10827 -0.00837 710 ASP A CB  
754  C CG  . ASP A 133 ? 1.28796 1.28735 0.93114 -0.09361 -0.13189 -0.01496 710 ASP A CG  
755  O OD1 . ASP A 133 ? 1.28151 1.26871 0.91539 -0.09734 -0.14390 -0.05001 710 ASP A OD1 
756  O OD2 . ASP A 133 ? 1.28947 1.31718 0.91961 -0.09417 -0.14050 0.01790  710 ASP A OD2 
757  N N   . ASP A 134 ? 1.48932 1.45246 1.15957 -0.08012 -0.06504 -0.07138 711 ASP A N   
758  C CA  . ASP A 134 ? 1.54838 1.51280 1.19121 -0.06999 -0.04813 -0.10320 711 ASP A CA  
759  C C   . ASP A 134 ? 1.58074 1.56594 1.15505 -0.06246 -0.05333 -0.12236 711 ASP A C   
760  O O   . ASP A 134 ? 1.63643 1.59947 1.18873 -0.06149 -0.06792 -0.16286 711 ASP A O   
761  C CB  . ASP A 134 ? 1.52940 1.51214 1.18910 -0.06376 -0.01833 -0.08426 711 ASP A CB  
762  N N   . ILE A 135 ? 1.49817 1.52810 1.04001 -0.05702 -0.04341 -0.09332 712 ILE A N   
763  C CA  . ILE A 135 ? 1.42766 1.49140 0.89701 -0.04669 -0.04874 -0.10938 712 ILE A CA  
764  C C   . ILE A 135 ? 1.41835 1.54467 0.87025 -0.03757 -0.02765 -0.06244 712 ILE A C   
765  O O   . ILE A 135 ? 1.45299 1.59236 0.93561 -0.03315 -0.00214 -0.03698 712 ILE A O   
766  C CB  . ILE A 135 ? 1.39161 1.43724 0.81769 -0.02983 -0.04301 -0.16769 712 ILE A CB  
767  N N   . ASP A 144 ? 1.45102 1.18085 0.93061 0.01080  -0.07613 -0.44972 739 ASP A N   
768  C CA  . ASP A 144 ? 1.37945 1.13593 0.92351 -0.01436 -0.07662 -0.39284 739 ASP A CA  
769  C C   . ASP A 144 ? 1.34535 1.06442 0.95487 -0.04140 -0.11125 -0.39120 739 ASP A C   
770  O O   . ASP A 144 ? 1.29456 0.98919 0.96707 -0.04046 -0.10416 -0.38749 739 ASP A O   
771  C CB  . ASP A 144 ? 1.32872 1.10986 0.91495 -0.00140 -0.03571 -0.35928 739 ASP A CB  
772  C CG  . ASP A 144 ? 1.31032 1.11873 0.95340 -0.02299 -0.03689 -0.30783 739 ASP A CG  
773  O OD1 . ASP A 144 ? 1.29467 1.10452 0.94531 -0.04409 -0.06581 -0.29560 739 ASP A OD1 
774  O OD2 . ASP A 144 ? 1.26679 1.09703 0.94632 -0.01724 -0.00969 -0.28042 739 ASP A OD2 
775  N N   . ILE A 145 ? 1.37485 1.09898 0.97377 -0.06486 -0.14798 -0.38725 740 ILE A N   
776  C CA  . ILE A 145 ? 1.30565 1.00051 0.96107 -0.09083 -0.18638 -0.38654 740 ILE A CA  
777  C C   . ILE A 145 ? 1.25435 0.97398 0.98997 -0.10055 -0.17800 -0.33524 740 ILE A C   
778  O O   . ILE A 145 ? 1.23939 0.95313 1.03289 -0.12003 -0.20514 -0.31964 740 ILE A O   
779  C CB  . ILE A 145 ? 1.25962 0.96441 0.87917 -0.11263 -0.22825 -0.39259 740 ILE A CB  
780  N N   . TYR A 146 ? 1.21147 0.96344 0.95191 -0.08649 -0.14202 -0.30789 741 TYR A N   
781  C CA  . TYR A 146 ? 1.15746 0.93659 0.96288 -0.09074 -0.13303 -0.26565 741 TYR A CA  
782  C C   . TYR A 146 ? 1.04374 0.82281 0.88607 -0.07497 -0.10022 -0.26138 741 TYR A C   
783  O O   . TYR A 146 ? 0.93860 0.74744 0.82285 -0.07398 -0.08752 -0.23010 741 TYR A O   
784  C CB  . TYR A 146 ? 1.15786 0.97601 0.94338 -0.09247 -0.12835 -0.23405 741 TYR A CB  
785  C CG  . TYR A 146 ? 1.18482 1.01402 0.95783 -0.10867 -0.16217 -0.22398 741 TYR A CG  
786  C CD1 . TYR A 146 ? 1.22429 1.04063 1.03007 -0.12484 -0.19481 -0.22847 741 TYR A CD1 
787  C CD2 . TYR A 146 ? 1.19084 1.04723 0.92630 -0.10869 -0.16249 -0.20434 741 TYR A CD2 
788  C CE1 . TYR A 146 ? 1.28509 1.12007 1.08397 -0.14083 -0.22686 -0.21401 741 TYR A CE1 
789  C CE2 . TYR A 146 ? 1.20175 1.07485 0.92888 -0.12177 -0.19223 -0.19040 741 TYR A CE2 
790  C CZ  . TYR A 146 ? 1.30396 1.16869 1.06140 -0.13791 -0.22437 -0.19550 741 TYR A CZ  
791  O OH  . TYR A 146 ? 1.28496 1.17446 1.03827 -0.15210 -0.25511 -0.17672 741 TYR A OH  
792  N N   . ALA A 147 ? 1.13072 0.87783 0.95814 -0.06077 -0.08789 -0.29397 742 ALA A N   
793  C CA  . ALA A 147 ? 1.05175 0.80201 0.91589 -0.04377 -0.05594 -0.28800 742 ALA A CA  
794  C C   . ALA A 147 ? 0.95257 0.71073 0.90159 -0.05227 -0.06266 -0.26158 742 ALA A C   
795  O O   . ALA A 147 ? 0.84097 0.63574 0.82708 -0.04693 -0.04172 -0.23294 742 ALA A O   
796  C CB  . ALA A 147 ? 1.03593 0.74455 0.87091 -0.02317 -0.04544 -0.33059 742 ALA A CB  
797  N N   . TRP A 148 ? 0.94759 0.67705 0.93023 -0.06620 -0.09391 -0.26861 743 TRP A N   
798  C CA  . TRP A 148 ? 0.86404 0.60873 0.93373 -0.07345 -0.10174 -0.23733 743 TRP A CA  
799  C C   . TRP A 148 ? 0.79145 0.59784 0.88800 -0.07782 -0.09949 -0.19495 743 TRP A C   
800  O O   . TRP A 148 ? 0.75835 0.59805 0.92210 -0.07565 -0.09510 -0.16411 743 TRP A O   
801  C CB  . TRP A 148 ? 0.92146 0.63012 1.02451 -0.09335 -0.14234 -0.24504 743 TRP A CB  
802  C CG  . TRP A 148 ? 0.96934 0.69282 1.04717 -0.11416 -0.17499 -0.23793 743 TRP A CG  
803  C CD1 . TRP A 148 ? 1.02878 0.73102 1.03157 -0.12003 -0.19071 -0.26941 743 TRP A CD1 
804  C CD2 . TRP A 148 ? 0.93621 0.70789 1.06529 -0.12859 -0.19462 -0.19305 743 TRP A CD2 
805  N NE1 . TRP A 148 ? 1.05336 0.78515 1.06063 -0.13925 -0.21931 -0.24548 743 TRP A NE1 
806  C CE2 . TRP A 148 ? 0.94515 0.71879 1.02904 -0.14350 -0.22151 -0.19894 743 TRP A CE2 
807  C CE3 . TRP A 148 ? 0.89539 0.71774 1.10297 -0.12696 -0.19071 -0.14599 743 TRP A CE3 
808  C CZ2 . TRP A 148 ? 0.90119 0.72222 1.01833 -0.15601 -0.24360 -0.15876 743 TRP A CZ2 
809  C CZ3 . TRP A 148 ? 0.85575 0.72792 1.09279 -0.13731 -0.21232 -0.10783 743 TRP A CZ3 
810  C CH2 . TRP A 148 ? 0.83183 0.70119 1.02469 -0.15130 -0.23792 -0.11423 743 TRP A CH2 
811  N N   . LEU A 149 ? 0.82418 0.64821 0.87114 -0.08150 -0.10332 -0.19234 744 LEU A N   
812  C CA  . LEU A 149 ? 0.79254 0.66748 0.85875 -0.07940 -0.09955 -0.15940 744 LEU A CA  
813  C C   . LEU A 149 ? 0.76201 0.65789 0.82211 -0.06575 -0.06786 -0.15473 744 LEU A C   
814  O O   . LEU A 149 ? 0.73531 0.67072 0.83804 -0.05926 -0.05957 -0.13241 744 LEU A O   
815  C CB  . LEU A 149 ? 0.83302 0.71394 0.85721 -0.08737 -0.11807 -0.15576 744 LEU A CB  
816  C CG  . LEU A 149 ? 0.84573 0.72467 0.88480 -0.10346 -0.15357 -0.14881 744 LEU A CG  
817  C CD1 . LEU A 149 ? 0.94268 0.80764 0.91775 -0.11170 -0.16848 -0.16258 744 LEU A CD1 
818  C CD2 . LEU A 149 ? 0.74458 0.67476 0.83423 -0.10120 -0.16352 -0.10983 744 LEU A CD2 
819  N N   . LYS A 150 ? 0.79042 0.66729 0.79877 -0.06122 -0.05124 -0.17339 745 LYS A N   
820  C CA  . LYS A 150 ? 0.76504 0.66308 0.77626 -0.05151 -0.02266 -0.16555 745 LYS A CA  
821  C C   . LYS A 150 ? 0.68683 0.59885 0.75469 -0.04277 -0.00778 -0.15755 745 LYS A C   
822  O O   . LYS A 150 ? 0.60206 0.55377 0.70298 -0.03908 0.00339  -0.13746 745 LYS A O   
823  C CB  . LYS A 150 ? 0.79320 0.67524 0.74770 -0.04582 -0.00603 -0.18191 745 LYS A CB  
824  C CG  . LYS A 150 ? 0.82955 0.70021 0.72883 -0.05359 -0.02257 -0.18850 745 LYS A CG  
825  C CD  . LYS A 150 ? 0.89244 0.76711 0.73788 -0.04516 -0.00315 -0.19444 745 LYS A CD  
826  C CE  . LYS A 150 ? 0.94471 0.81489 0.73517 -0.05138 -0.02102 -0.19975 745 LYS A CE  
827  N NZ  . LYS A 150 ? 0.94058 0.83193 0.68042 -0.04232 -0.00245 -0.19449 745 LYS A NZ  
828  N N   . ARG A 151 ? 0.66497 0.54499 0.74831 -0.03967 -0.01094 -0.17253 746 ARG A N   
829  C CA  . ARG A 151 ? 0.67529 0.56603 0.82058 -0.03023 0.00261  -0.16028 746 ARG A CA  
830  C C   . ARG A 151 ? 0.63663 0.58066 0.84323 -0.03345 -0.00423 -0.12494 746 ARG A C   
831  O O   . ARG A 151 ? 0.64559 0.62659 0.89926 -0.02414 0.01329  -0.10427 746 ARG A O   
832  C CB  . ARG A 151 ? 0.69015 0.52805 0.85151 -0.02977 -0.01028 -0.18111 746 ARG A CB  
833  C CG  . ARG A 151 ? 0.70426 0.53242 0.90577 -0.01233 0.01266  -0.18076 746 ARG A CG  
834  C CD  . ARG A 151 ? 0.81900 0.58151 0.97260 0.00017  0.01508  -0.22627 746 ARG A CD  
835  N NE  . ARG A 151 ? 0.93195 0.64536 1.07085 -0.01650 -0.02300 -0.25105 746 ARG A NE  
836  C CZ  . ARG A 151 ? 1.01734 0.67961 1.09010 -0.01213 -0.03355 -0.29744 746 ARG A CZ  
837  N NH1 . ARG A 151 ? 1.05724 0.71241 1.07060 0.01279  -0.00574 -0.32355 746 ARG A NH1 
838  N NH2 . ARG A 151 ? 0.99769 0.62299 1.06311 -0.03241 -0.07370 -0.31617 746 ARG A NH2 
839  N N   . ALA A 152 ? 0.60465 0.56095 0.81195 -0.04369 -0.02900 -0.11537 747 ALA A N   
840  C CA  . ALA A 152 ? 0.62441 0.63918 0.88656 -0.04145 -0.03653 -0.08147 747 ALA A CA  
841  C C   . ALA A 152 ? 0.59211 0.64868 0.83115 -0.03563 -0.03280 -0.07485 747 ALA A C   
842  O O   . ALA A 152 ? 0.57229 0.68072 0.84140 -0.02896 -0.04129 -0.05223 747 ALA A O   
843  C CB  . ALA A 152 ? 0.61303 0.62433 0.90037 -0.05266 -0.06654 -0.06932 747 ALA A CB  
844  N N   . GLY A 153 ? 0.63200 0.66862 0.82071 -0.03653 -0.02133 -0.09324 748 GLY A N   
845  C CA  . GLY A 153 ? 0.54368 0.60425 0.71179 -0.03378 -0.02289 -0.09152 748 GLY A CA  
846  C C   . GLY A 153 ? 0.64481 0.70051 0.79121 -0.03479 -0.04534 -0.09110 748 GLY A C   
847  O O   . GLY A 153 ? 0.61396 0.68586 0.74813 -0.02822 -0.05066 -0.09083 748 GLY A O   
848  N N   . LYS A 154 ? 0.61682 0.64910 0.75929 -0.04231 -0.06039 -0.09180 749 LYS A N   
849  C CA  . LYS A 154 ? 0.65898 0.69801 0.79062 -0.04214 -0.08189 -0.08358 749 LYS A CA  
850  C C   . LYS A 154 ? 0.76440 0.76169 0.83899 -0.05113 -0.08909 -0.09836 749 LYS A C   
851  O O   . LYS A 154 ? 0.75757 0.75777 0.82218 -0.05243 -0.10766 -0.08989 749 LYS A O   
852  C CB  . LYS A 154 ? 0.63978 0.69272 0.81273 -0.04774 -0.09947 -0.06587 749 LYS A CB  
853  C CG  . LYS A 154 ? 0.64016 0.75771 0.87676 -0.03518 -0.09808 -0.03517 749 LYS A CG  
854  C CD  . LYS A 154 ? 0.70664 0.83834 0.98924 -0.04541 -0.12047 -0.00961 749 LYS A CD  
855  C CE  . LYS A 154 ? 0.74296 0.95795 1.09030 -0.03016 -0.12177 0.03331  749 LYS A CE  
856  N NZ  . LYS A 154 ? 0.69998 0.94399 1.09136 -0.02240 -0.10229 0.04422  749 LYS A NZ  
857  N N   . PHE A 155 ? 0.75813 0.72569 0.79807 -0.05603 -0.07433 -0.11455 750 PHE A N   
858  C CA  . PHE A 155 ? 0.75861 0.69847 0.74691 -0.06306 -0.07938 -0.12173 750 PHE A CA  
859  C C   . PHE A 155 ? 0.76557 0.70610 0.74014 -0.06012 -0.07118 -0.11634 750 PHE A C   
860  O O   . PHE A 155 ? 0.77135 0.71491 0.75195 -0.06017 -0.05365 -0.11833 750 PHE A O   
861  C CB  . PHE A 155 ? 0.78488 0.69652 0.73985 -0.06893 -0.07080 -0.14073 750 PHE A CB  
862  C CG  . PHE A 155 ? 0.83487 0.73380 0.73665 -0.07362 -0.07438 -0.14263 750 PHE A CG  
863  C CD1 . PHE A 155 ? 0.86559 0.76830 0.74938 -0.07217 -0.05839 -0.13415 750 PHE A CD1 
864  C CD2 . PHE A 155 ? 0.89770 0.78851 0.77358 -0.08091 -0.09618 -0.14645 750 PHE A CD2 
865  C CE1 . PHE A 155 ? 0.88334 0.78394 0.72567 -0.07580 -0.06124 -0.12672 750 PHE A CE1 
866  C CE2 . PHE A 155 ? 0.96682 0.85703 0.79532 -0.08387 -0.09927 -0.14264 750 PHE A CE2 
867  C CZ  . PHE A 155 ? 0.94119 0.83758 0.75387 -0.08023 -0.08047 -0.13104 750 PHE A CZ  
868  N N   . LYS A 156 ? 0.80708 0.74359 0.76700 -0.05841 -0.08539 -0.10731 751 LYS A N   
869  C CA  . LYS A 156 ? 0.76875 0.69392 0.71907 -0.05778 -0.08388 -0.10094 751 LYS A CA  
870  C C   . LYS A 156 ? 0.84291 0.75076 0.75589 -0.06547 -0.08912 -0.09162 751 LYS A C   
871  O O   . LYS A 156 ? 0.83656 0.74661 0.73637 -0.06489 -0.10383 -0.08653 751 LYS A O   
872  C CB  . LYS A 156 ? 0.72886 0.66394 0.70036 -0.04274 -0.09610 -0.09787 751 LYS A CB  
873  C CG  . LYS A 156 ? 0.72818 0.69104 0.73299 -0.03263 -0.09009 -0.10604 751 LYS A CG  
874  C CD  . LYS A 156 ? 0.67700 0.63014 0.68758 -0.03998 -0.08193 -0.11220 751 LYS A CD  
875  C CE  . LYS A 156 ? 0.68660 0.66625 0.72179 -0.02613 -0.08663 -0.12307 751 LYS A CE  
876  N NZ  . LYS A 156 ? 0.65845 0.68406 0.72221 -0.02358 -0.07356 -0.12310 751 LYS A NZ  
877  N N   . ALA A 157 ? 0.88187 0.78126 0.78149 -0.07293 -0.07765 -0.08405 752 ALA A N   
878  C CA  . ALA A 157 ? 0.94201 0.83918 0.80584 -0.07928 -0.07773 -0.07027 752 ALA A CA  
879  C C   . ALA A 157 ? 1.00660 0.89174 0.87739 -0.07966 -0.08873 -0.04619 752 ALA A C   
880  O O   . ALA A 157 ? 1.02361 0.89517 0.92262 -0.08083 -0.08886 -0.04052 752 ALA A O   
881  C CB  . ALA A 157 ? 0.85555 0.76331 0.70347 -0.08397 -0.05589 -0.06834 752 ALA A CB  
882  N N   . THR A 158 ? 1.11750 0.79363 1.01118 -0.37938 -0.05407 -0.09801 753 THR A N   
883  C CA  . THR A 158 ? 1.14963 0.78603 1.00295 -0.38283 0.00980  -0.07663 753 THR A CA  
884  C C   . THR A 158 ? 1.20850 0.87010 1.05341 -0.36535 0.01734  -0.08060 753 THR A C   
885  O O   . THR A 158 ? 1.18155 0.88285 1.05079 -0.33734 -0.02894 -0.09024 753 THR A O   
886  C CB  . THR A 158 ? 1.15069 0.74851 1.00523 -0.36899 0.02498  -0.02756 753 THR A CB  
887  O OG1 . THR A 158 ? 1.13255 0.74918 1.02488 -0.34080 -0.02063 -0.00389 753 THR A OG1 
888  C CG2 . THR A 158 ? 1.11933 0.70984 0.97717 -0.38187 0.02421  -0.01810 753 THR A CG2 
889  N N   . GLN A 159 ? 1.21953 0.85973 1.03182 -0.38006 0.07199  -0.07150 754 GLN A N   
890  C CA  . GLN A 159 ? 1.24963 0.92829 1.05267 -0.37027 0.08729  -0.06889 754 GLN A CA  
891  C C   . GLN A 159 ? 1.31906 0.95903 1.11012 -0.35683 0.12003  -0.02466 754 GLN A C   
892  O O   . GLN A 159 ? 1.29478 0.87702 1.08295 -0.35386 0.13296  0.00156  754 GLN A O   
893  C CB  . GLN A 159 ? 1.19492 0.89381 0.98227 -0.40359 0.11759  -0.08489 754 GLN A CB  
894  C CG  . GLN A 159 ? 1.20106 0.94820 1.00050 -0.41580 0.08676  -0.12865 754 GLN A CG  
895  C CD  . GLN A 159 ? 1.16242 0.85984 0.96150 -0.43984 0.08234  -0.14128 754 GLN A CD  
896  O OE1 . GLN A 159 ? 1.19786 0.83398 0.97611 -0.46271 0.11811  -0.12860 754 GLN A OE1 
897  N NE2 . GLN A 159 ? 1.12665 0.85230 0.94967 -0.43212 0.03447  -0.16723 754 GLN A NE2 
898  N N   . ARG A 160 ? 1.38073 1.06253 1.16516 -0.34695 0.13416  -0.01442 755 ARG A N   
899  C CA  . ARG A 160 ? 1.38639 1.04739 1.16320 -0.33113 0.15978  0.02759  755 ARG A CA  
900  C C   . ARG A 160 ? 1.44316 1.09196 1.20432 -0.36001 0.20997  0.05109  755 ARG A C   
901  O O   . ARG A 160 ? 1.42894 1.07377 1.18621 -0.39425 0.22402  0.03682  755 ARG A O   
902  C CB  . ARG A 160 ? 1.35132 1.08020 1.13792 -0.29030 0.12592  0.02475  755 ARG A CB  
903  N N   . THR A 161 ? 1.47216 1.11335 1.22945 -0.34773 0.23272  0.09114  756 THR A N   
904  C CA  . THR A 161 ? 1.53581 1.17906 1.28936 -0.37364 0.27170  0.12336  756 THR A CA  
905  C C   . THR A 161 ? 1.59277 1.29651 1.34852 -0.34882 0.27803  0.15772  756 THR A C   
906  O O   . THR A 161 ? 1.60627 1.29072 1.36090 -0.31733 0.26976  0.17283  756 THR A O   
907  C CB  . THR A 161 ? 1.53239 1.06670 1.27835 -0.39552 0.30339  0.14648  756 THR A CB  
908  O OG1 . THR A 161 ? 1.51882 1.00380 1.25761 -0.41355 0.29671  0.11174  756 THR A OG1 
909  C CG2 . THR A 161 ? 1.53424 1.06636 1.28786 -0.42777 0.33269  0.18257  756 THR A CG2 
910  N N   . VAL A 164 ? 1.58864 1.23927 1.35321 -0.32931 0.36786  0.34641  759 VAL A N   
911  C CA  . VAL A 164 ? 1.66387 1.19287 1.42315 -0.32948 0.37481  0.34251  759 VAL A CA  
912  C C   . VAL A 164 ? 1.70777 1.22399 1.46248 -0.28628 0.35825  0.34500  759 VAL A C   
913  O O   . VAL A 164 ? 1.63686 1.07659 1.38818 -0.27788 0.35930  0.34151  759 VAL A O   
914  C CB  . VAL A 164 ? 1.60872 1.09516 1.36174 -0.34898 0.36424  0.29455  759 VAL A CB  
915  C CG1 . VAL A 164 ? 1.58616 1.11246 1.34765 -0.38899 0.36863  0.28615  759 VAL A CG1 
916  C CG2 . VAL A 164 ? 1.56995 1.08917 1.31900 -0.32094 0.32777  0.25333  759 VAL A CG2 
917  N N   . SER A 165 ? 1.77587 1.37311 1.53176 -0.25705 0.34054  0.35268  760 SER A N   
918  C CA  . SER A 165 ? 1.78828 1.38050 1.54611 -0.21707 0.31422  0.35532  760 SER A CA  
919  C C   . SER A 165 ? 1.80171 1.37447 1.56173 -0.20430 0.33706  0.40955  760 SER A C   
920  O O   . SER A 165 ? 1.80544 1.39910 1.56661 -0.22056 0.36599  0.44435  760 SER A O   
921  C CB  . SER A 165 ? 1.86225 1.54913 1.61993 -0.18553 0.26737  0.31976  760 SER A CB  
922  O OG  . SER A 165 ? 1.87919 1.55602 1.64558 -0.14856 0.23193  0.32388  760 SER A OG  
923  N N   . THR A 166 ? 1.24824 1.60963 1.33312 0.11322  -0.00229 -0.21773 761 THR A N   
924  C CA  . THR A 166 ? 1.22124 1.51904 1.29337 0.11708  0.00641  -0.23197 761 THR A CA  
925  C C   . THR A 166 ? 1.20129 1.50445 1.28034 0.11580  0.00363  -0.25268 761 THR A C   
926  O O   . THR A 166 ? 1.19646 1.46999 1.23020 0.09398  0.00866  -0.26701 761 THR A O   
927  C CB  . THR A 166 ? 1.18554 1.45676 1.31105 0.14864  0.00788  -0.21687 761 THR A CB  
928  O OG1 . THR A 166 ? 1.16676 1.39032 1.30339 0.15817  0.00820  -0.23359 761 THR A OG1 
929  C CG2 . THR A 166 ? 1.11482 1.43166 1.30989 0.17216  -0.00751 -0.20187 761 THR A CG2 
930  N N   . THR A 167 ? 1.16149 1.50019 1.29479 0.14387  -0.00602 -0.25362 762 THR A N   
931  C CA  . THR A 167 ? 1.11577 1.47457 1.25267 0.15401  -0.00829 -0.27122 762 THR A CA  
932  C C   . THR A 167 ? 1.10159 1.49194 1.19220 0.11616  -0.00067 -0.27278 762 THR A C   
933  O O   . THR A 167 ? 1.09022 1.45873 1.15580 0.10894  0.00554  -0.28514 762 THR A O   
934  C CB  . THR A 167 ? 1.13704 1.55100 1.32509 0.19026  -0.02290 -0.26913 762 THR A CB  
935  O OG1 . THR A 167 ? 1.09341 1.56101 1.27205 0.19733  -0.02041 -0.27889 762 THR A OG1 
936  C CG2 . THR A 167 ? 1.12913 1.59229 1.33533 0.18348  -0.02801 -0.24744 762 THR A CG2 
937  N N   . ASP A 168 ? 1.15050 1.59065 1.23143 0.08979  -0.00430 -0.25735 763 ASP A N   
938  C CA  . ASP A 168 ? 1.11098 1.57923 1.15652 0.04710  -0.00500 -0.25215 763 ASP A CA  
939  C C   . ASP A 168 ? 1.11025 1.50087 1.10165 0.02087  -0.00120 -0.26369 763 ASP A C   
940  O O   . ASP A 168 ? 1.04591 1.44639 1.01761 -0.00499 -0.00111 -0.26257 763 ASP A O   
941  C CB  . ASP A 168 ? 1.17731 1.68324 1.21351 0.01912  -0.01704 -0.23520 763 ASP A CB  
942  C CG  . ASP A 168 ? 1.16112 1.73894 1.24820 0.04545  -0.02189 -0.22315 763 ASP A CG  
943  O OD1 . ASP A 168 ? 1.14382 1.74430 1.27215 0.08585  -0.01852 -0.22862 763 ASP A OD1 
944  O OD2 . ASP A 168 ? 1.12579 1.73235 1.20762 0.02802  -0.03274 -0.20975 763 ASP A OD2 
945  N N   . LEU A 169 ? 1.13959 1.45639 1.10818 0.02902  0.00191  -0.27143 764 LEU A N   
946  C CA  . LEU A 169 ? 1.11007 1.34968 1.01868 0.00703  0.00300  -0.28298 764 LEU A CA  
947  C C   . LEU A 169 ? 1.11297 1.31616 1.02137 0.01758  0.01219  -0.29822 764 LEU A C   
948  O O   . LEU A 169 ? 1.16049 1.33346 1.02712 -0.01054 0.00990  -0.30397 764 LEU A O   
949  C CB  . LEU A 169 ? 1.11649 1.30100 1.00035 0.02131  0.00652  -0.28303 764 LEU A CB  
950  N N   . ILE A 170 ? 1.10067 1.30133 1.05438 0.05774  0.01811  -0.30439 765 ILE A N   
951  C CA  . ILE A 170 ? 1.09337 1.25865 1.04578 0.07303  0.02304  -0.32098 765 ILE A CA  
952  C C   . ILE A 170 ? 1.09477 1.30868 1.03646 0.05767  0.02457  -0.31938 765 ILE A C   
953  O O   . ILE A 170 ? 1.10925 1.28909 1.02168 0.04972  0.02914  -0.32860 765 ILE A O   
954  C CB  . ILE A 170 ? 1.05073 1.21084 1.05886 0.12066  0.01863  -0.32718 765 ILE A CB  
955  C CG1 . ILE A 170 ? 1.07986 1.20341 1.11008 0.13182  0.01742  -0.31725 765 ILE A CG1 
956  C CG2 . ILE A 170 ? 1.05271 1.16823 1.05333 0.13939  0.01919  -0.34718 765 ILE A CG2 
957  C CD1 . ILE A 170 ? 1.06379 1.11208 1.06371 0.12720  0.02521  -0.32428 765 ILE A CD1 
958  N N   . VAL A 171 ? 1.03758 1.33790 1.00617 0.05599  0.02170  -0.30398 766 VAL A N   
959  C CA  . VAL A 171 ? 1.04581 1.41094 1.01020 0.03925  0.02549  -0.29157 766 VAL A CA  
960  C C   . VAL A 171 ? 1.09318 1.42455 1.00975 -0.01595 0.02099  -0.28322 766 VAL A C   
961  O O   . VAL A 171 ? 1.12843 1.45592 1.02617 -0.02839 0.02599  -0.28045 766 VAL A O   
962  C CB  . VAL A 171 ? 1.01858 1.48879 1.02215 0.04305  0.02234  -0.27088 766 VAL A CB  
963  C CG1 . VAL A 171 ? 0.96588 1.51839 0.97212 0.02335  0.02830  -0.24786 766 VAL A CG1 
964  C CG2 . VAL A 171 ? 0.97547 1.46786 1.02149 0.10250  0.02104  -0.28221 766 VAL A CG2 
965  N N   . ARG A 172 ? 1.12053 1.42265 1.01336 -0.04742 0.00800  -0.27892 767 ARG A N   
966  C CA  . ARG A 172 ? 1.15621 1.41183 0.99801 -0.09785 -0.00646 -0.27411 767 ARG A CA  
967  C C   . ARG A 172 ? 1.17240 1.33156 0.97038 -0.09364 -0.00130 -0.29554 767 ARG A C   
968  O O   . ARG A 172 ? 1.23793 1.36589 1.00086 -0.12871 -0.01062 -0.29105 767 ARG A O   
969  C CB  . ARG A 172 ? 1.12929 1.36383 0.94532 -0.12098 -0.02656 -0.27098 767 ARG A CB  
970  C CG  . ARG A 172 ? 1.06797 1.39447 0.93093 -0.11695 -0.03055 -0.25255 767 ARG A CG  
971  C CD  . ARG A 172 ? 1.12068 1.45082 0.95817 -0.16214 -0.06044 -0.23865 767 ARG A CD  
972  N NE  . ARG A 172 ? 1.07556 1.31270 0.85029 -0.16142 -0.07348 -0.25726 767 ARG A NE  
973  C CZ  . ARG A 172 ? 1.09643 1.31750 0.83615 -0.18445 -0.10251 -0.25389 767 ARG A CZ  
974  N NH1 . ARG A 172 ? 1.10586 1.39593 0.87362 -0.21729 -0.12468 -0.23095 767 ARG A NH1 
975  N NH2 . ARG A 172 ? 1.14285 1.27840 0.81637 -0.17067 -0.11094 -0.27323 767 ARG A NH2 
976  N N   . ILE A 173 ? 1.18700 1.30024 0.99129 -0.05216 0.01109  -0.31555 768 ILE A N   
977  C CA  . ILE A 173 ? 1.22339 1.25342 0.99422 -0.04338 0.01698  -0.33489 768 ILE A CA  
978  C C   . ILE A 173 ? 1.29050 1.34422 1.07399 -0.03407 0.02609  -0.33546 768 ILE A C   
979  O O   . ILE A 173 ? 1.35774 1.36870 1.10307 -0.05523 0.02436  -0.33812 768 ILE A O   
980  C CB  . ILE A 173 ? 1.15356 1.13804 0.93948 -0.00275 0.02554  -0.34895 768 ILE A CB  
981  N N   . LEU A 174 ? 1.22355 1.34539 1.05607 0.00114  0.03411  -0.33257 769 LEU A N   
982  C CA  . LEU A 174 ? 1.22857 1.37539 1.06612 0.02332  0.04328  -0.33507 769 LEU A CA  
983  C C   . LEU A 174 ? 1.29554 1.51819 1.12954 -0.00939 0.04576  -0.30612 769 LEU A C   
984  O O   . LEU A 174 ? 1.32039 1.55832 1.14424 0.00072  0.05517  -0.30242 769 LEU A O   
985  C CB  . LEU A 174 ? 1.17679 1.36254 1.05973 0.08159  0.04540  -0.34539 769 LEU A CB  
986  C CG  . LEU A 174 ? 1.12808 1.25286 1.03366 0.11048  0.03761  -0.36340 769 LEU A CG  
987  C CD1 . LEU A 174 ? 1.10287 1.25190 1.05098 0.16788  0.02954  -0.37495 769 LEU A CD1 
988  C CD2 . LEU A 174 ? 1.11530 1.14316 0.98978 0.10596  0.03822  -0.38001 769 LEU A CD2 
989  N N   . LYS A 175 ? 1.32553 1.59979 1.17041 -0.04775 0.03631  -0.28185 770 LYS A N   
990  C CA  . LYS A 175 ? 1.31039 1.66182 1.16275 -0.08575 0.03492  -0.24547 770 LYS A CA  
991  C C   . LYS A 175 ? 1.38876 1.67991 1.19792 -0.12285 0.02972  -0.24002 770 LYS A C   
992  O O   . LYS A 175 ? 1.43829 1.79046 1.25629 -0.13951 0.03555  -0.20934 770 LYS A O   
993  C CB  . LYS A 175 ? 1.26477 1.66204 1.13435 -0.12782 0.01674  -0.22161 770 LYS A CB  
994  N N   . ASN A 176 ? 1.39835 1.57268 1.16093 -0.13252 0.01941  -0.26705 771 ASN A N   
995  C CA  . ASN A 176 ? 1.45755 1.54700 1.16923 -0.16151 0.01046  -0.27141 771 ASN A CA  
996  C C   . ASN A 176 ? 1.46532 1.55355 1.17186 -0.13091 0.03012  -0.27672 771 ASN A C   
997  O O   . ASN A 176 ? 1.48626 1.49381 1.14816 -0.14918 0.02347  -0.28450 771 ASN A O   
998  C CB  . ASN A 176 ? 1.48353 1.45594 1.14816 -0.15905 -0.00093 -0.30443 771 ASN A CB  
999  C CG  . ASN A 176 ? 1.58547 1.49386 1.20019 -0.21357 -0.03285 -0.29777 771 ASN A CG  
1000 O OD1 . ASN A 176 ? 1.55760 1.48734 1.17529 -0.24058 -0.05347 -0.28536 771 ASN A OD1 
1001 N ND2 . ASN A 176 ? 1.63788 1.46006 1.20285 -0.22736 -0.04161 -0.30818 771 ASN A ND2 
1002 N N   . TYR A 177 ? 1.43258 1.60017 1.17626 -0.08295 0.05014  -0.27474 772 TYR A N   
1003 C CA  . TYR A 177 ? 1.39891 1.56394 1.13173 -0.04133 0.06646  -0.28480 772 TYR A CA  
1004 C C   . TYR A 177 ? 1.39720 1.68601 1.16794 -0.00170 0.08309  -0.26495 772 TYR A C   
1005 O O   . TYR A 177 ? 1.37888 1.69008 1.17493 0.04911  0.08573  -0.28493 772 TYR A O   
1006 C CB  . TYR A 177 ? 1.38117 1.45524 1.10159 0.00423  0.06633  -0.32957 772 TYR A CB  
1007 C CG  . TYR A 177 ? 1.40874 1.37995 1.10164 -0.02168 0.05289  -0.34856 772 TYR A CG  
1008 C CD1 . TYR A 177 ? 1.45143 1.33430 1.09564 -0.04201 0.04750  -0.35851 772 TYR A CD1 
1009 C CD2 . TYR A 177 ? 1.37194 1.33799 1.08425 -0.02117 0.04614  -0.35488 772 TYR A CD2 
1010 C CE1 . TYR A 177 ? 1.48279 1.27688 1.09581 -0.05678 0.03618  -0.37595 772 TYR A CE1 
1011 C CE2 . TYR A 177 ? 1.39673 1.27861 1.07853 -0.03592 0.03694  -0.36935 772 TYR A CE2 
1012 C CZ  . TYR A 177 ? 1.46041 1.25715 1.09114 -0.05173 0.03214  -0.38070 772 TYR A CZ  
1013 O OH  . TYR A 177 ? 1.47090 1.18672 1.06460 -0.05834 0.02362  -0.39565 772 TYR A OH  
1014 N N   . GLU A 178 ? 1.38861 1.75786 1.16319 -0.02245 0.09268  -0.22337 773 GLU A N   
1015 C CA  . GLU A 178 ? 1.29575 1.79639 1.10018 0.02006  0.11271  -0.19764 773 GLU A CA  
1016 C C   . GLU A 178 ? 1.27410 1.83203 1.11726 0.05964  0.11230  -0.20933 773 GLU A C   
1017 O O   . GLU A 178 ? 1.26634 1.82652 1.13291 0.02468  0.09892  -0.20425 773 GLU A O   
1018 C CB  . GLU A 178 ? 1.21865 1.71016 0.99228 0.08233  0.12861  -0.21508 773 GLU A CB  
# 
