data_9HST
# 
_entry.id   9HST 
# 
_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   9HST         pdb_00009hst 10.2210/pdb9hst/pdb 
WWPDB D_1292144121 ?            ?                   
# 
_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                        9HST 
_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 piperazin-2-one
;
_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 piperazin-2-one                          100.119   1  ?        ? ? ?                                            
3 water       nat water                                    18.015    16 ?        ? ? ?                                            
# 
_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 piperazin-2-one XJJ 
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 
XJJ non-polymer         . piperazin-2-one ? 'C4 H8 N2 O'     100.119 
# 
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 135 730 ?   ?   ?   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 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY 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 179 774 774 ASP ASP A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        XJJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   XJJ 
_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 XJJ 1  801 801 XJJ LIG A . 
C 3 HOH 1  901 16  HOH HOH A . 
C 3 HOH 2  902 5   HOH HOH A . 
C 3 HOH 3  903 4   HOH HOH A . 
C 3 HOH 4  904 14  HOH HOH A . 
C 3 HOH 5  905 7   HOH HOH A . 
C 3 HOH 6  906 10  HOH HOH A . 
C 3 HOH 7  907 13  HOH HOH A . 
C 3 HOH 8  908 17  HOH HOH A . 
C 3 HOH 9  909 3   HOH HOH A . 
C 3 HOH 10 910 15  HOH HOH A . 
C 3 HOH 11 911 6   HOH HOH A . 
C 3 HOH 12 912 12  HOH HOH A . 
C 3 HOH 13 913 8   HOH HOH A . 
C 3 HOH 14 914 2   HOH HOH A . 
C 3 HOH 15 915 9   HOH HOH A . 
C 3 HOH 16 916 1   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 GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
6  1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
7  1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
8  1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
9  1 Y 1 A ASP 711 ? CG  ? A ASP 134 CG  
10 1 Y 1 A ASP 711 ? OD1 ? A ASP 134 OD1 
11 1 Y 1 A ASP 711 ? OD2 ? A ASP 134 OD2 
12 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
13 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
14 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
15 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
16 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
17 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
18 1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
19 1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
20 1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
21 1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
22 1 Y 1 A VAL 759 ? CG1 ? A VAL 164 CG1 
23 1 Y 1 A VAL 759 ? CG2 ? A VAL 164 CG2 
24 1 Y 1 A LEU 764 ? CG  ? A LEU 169 CG  
25 1 Y 1 A LEU 764 ? CD1 ? A LEU 169 CD1 
26 1 Y 1 A LEU 764 ? CD2 ? A LEU 169 CD2 
27 1 Y 1 A ILE 765 ? CG1 ? A ILE 170 CG1 
28 1 Y 1 A ILE 765 ? CG2 ? A ILE 170 CG2 
29 1 Y 1 A ILE 765 ? CD1 ? A ILE 170 CD1 
30 1 Y 1 A ILE 768 ? CG1 ? A ILE 173 CG1 
31 1 Y 1 A ILE 768 ? CG2 ? A ILE 173 CG2 
32 1 Y 1 A ILE 768 ? CD1 ? A ILE 173 CD1 
33 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
34 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
35 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
36 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
37 1 Y 1 A GLU 773 ? CG  ? A GLU 178 CG  
38 1 Y 1 A GLU 773 ? CD  ? A GLU 178 CD  
39 1 Y 1 A GLU 773 ? OE1 ? A GLU 178 OE1 
40 1 Y 1 A GLU 773 ? OE2 ? A GLU 178 OE2 
41 1 Y 1 A ASP 774 ? CG  ? A ASP 179 CG  
42 1 Y 1 A ASP 774 ? OD1 ? A ASP 179 OD1 
43 1 Y 1 A ASP 774 ? OD2 ? A ASP 179 OD2 
# 
_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                     9HST 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.480 
_cell.length_a_esd                 ? 
_cell.length_b                     69.940 
_cell.length_b_esd                 ? 
_cell.length_c                     118.565 
_cell.length_c_esd                 ? 
_cell.volume                       418602.174 
_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                         9HST 
_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                   9HST 
_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             2.53 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          51.47 
_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 EIGER X 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-04-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.96577 
_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 MASSIF-3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.96577 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-3 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          60.35 
_reflns.entry_id                                       9HST 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.39 
_reflns.d_resolution_low                               60.24 
_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                                     16062 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.99 
_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                                0.119 
_reflns.pdbx_Rpim_I_all                                0.039 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.112 
_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                                    2.39 
_reflns_shell.d_res_low                                     2.48 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           8354 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             880 
_reflns_shell.percent_possible_obs                          99.6 
_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                               9.5 
_reflns_shell.pdbx_chi_squared                              0.84 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.0 
_reflns_shell.pdbx_Rrim_I_all                               2.304 
_reflns_shell.pdbx_Rpim_I_all                               0.745 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.516 
_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                                  2.178 
_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                               66.29 
_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                                 9HST 
_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                            2.39 
_refine.ls_d_res_low                             60.24 
_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                     16062 
_refine.ls_number_reflns_R_free                  801 
_refine.ls_number_reflns_R_work                  15261 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.80 
_refine.ls_percent_reflns_R_free                 4.99 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2246 
_refine.ls_R_factor_R_free                       0.2512 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2229 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_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                 37.7163 
_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                            0.5009 
_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                       2.39 
_refine_hist.d_res_low                        60.24 
_refine_hist.number_atoms_solvent             16 
_refine_hist.number_atoms_total               1064 
_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        1041 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         7 
_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' ? 0.0085  ? 1069 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8260  ? 1450 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0518  ? 168  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0084  ? 180  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 16.0949 ? 382  ? 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' 2.39 2.54  . . 109 2559 99.59  . . . . 0.3917 . . . . . . . . . . . 0.3650 
'X-RAY DIFFRACTION' 2.54 2.74  . . 118 2565 100.00 . . . . 0.3268 . . . . . . . . . . . 0.4152 
'X-RAY DIFFRACTION' 2.74 3.01  . . 154 2526 99.89  . . . . 0.3214 . . . . . . . . . . . 0.3704 
'X-RAY DIFFRACTION' 3.01 3.44  . . 115 2551 99.85  . . . . 0.2517 . . . . . . . . . . . 0.2858 
'X-RAY DIFFRACTION' 3.45 4.34  . . 153 2525 99.70  . . . . 0.1952 . . . . . . . . . . . 0.2184 
'X-RAY DIFFRACTION' 4.35 60.24 . . 152 2535 99.85  . . . . 0.1738 . . . . . . . . . . . 0.2116 
# 
_struct.entry_id                     9HST 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with piperazin-2-one
;
_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        9HST 
_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 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              9HST 
_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 9HST GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HST HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HST MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HST ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HST ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HST ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HST ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HST ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HST ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HST ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HST ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HST ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HST ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HST ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HST ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HST ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HST ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HST ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HST ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HST ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HST ?   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)' 1930  ? 
1 MORE         -5    ? 
1 'SSA (A^2)'  14110 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                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 -69.9400000000 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 ? LYS A 126 ? THR A 695 LYS A 703 1 ? 9  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? ASN A 176 ? SER A 760 ASN A 771 1 ? 12 
# 
_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       6.64 
# 
_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 ? ASP A 133 ? TYR A 706 ASP A 710 
AA1 5 PHE A 155 ? THR A 158 ? PHE A 750 THR A 753 
# 
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                   9HST 
_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 LYS A 663 ? ? -85.42 -83.42 
2 1 THR A 762 ? ? -28.78 -57.38 
# 
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 -4.92806985175 -23.5516824106 -24.6084532573 0.452636515543 ? -0.0102272350396  ? 0.0706762960265 
? 0.410131477754 ? -0.0665799158682 ? 0.438878326366 ? 7.88167961462 ? -1.96306829795  ? 5.11583703136  ? 6.69430865661 ? 
-5.3813075279   ? 8.54699851859 ? 0.219028973416    ? -0.399125894502 ? 0.023311235333  ? 0.0849834457513  ? -0.362232274561  ? 
-0.207892953168 ? 0.322912362804  ? 0.341822700927  ? 0.0028126493317 ? 
2 'X-RAY DIFFRACTION' ? refined -1.80498158125 -24.7355383758 -22.0786411282 0.323979920489 ? -0.00645216980128 ? 0.0827508873569 
? 0.334947058365 ? -0.0299848901915 ? 0.334098870268 ? 6.46652584617 ? -0.477325002108 ? 1.33080258182  ? 4.73598466024 ? 
-1.45467518667  ? 3.24260713278 ? -3.2258921655e-05 ? -0.273296250998 ? 0.224102321074  ? 0.231374688064   ? -0.077706932855  ? 
0.207402271652  ? 0.0433677870303 ? 0.157995069116  ? 0.0741240710215 ? 
3 'X-RAY DIFFRACTION' ? refined -5.28162158337 -13.2137705317 -27.454240802  0.644249530354 ? 0.0362935411541   ? 
0.000843596843073 ? 0.507551410177 ? -0.0100325807658 ? 0.574111228695 ? 5.68297766921 ? 0.557954860824  ? 6.45674306823  ? 
5.92098333744 ? 3.0541535349    ? 8.51203228503 ? -0.231784945404   ? -0.238329087242 ? 0.276179336807  ? -0.0366986857287 ? 
-0.174055597316  ? -0.253892349928 ? -0.114982615488 ? -0.648897567825 ? 0.418150593318  ? 
4 'X-RAY DIFFRACTION' ? refined -16.3718194302 -11.020158397  -23.4727439928 0.689367385933 ? -0.0970402169992  ? -0.0423634146458 
? 0.840723995148 ? -0.0491548754855 ? 0.938242643037 ? 2.02395780842 ? -1.56605329532  ? 0.494985986045 ? 8.68532017429 ? 
-0.523915592307 ? 2.00499454267 ? -0.388005426469   ? -1.5082957461   ? 0.847208236542  ? 0.972712975624   ? -0.749975558133  ? 
-0.752191796298 ? -0.535763941065 ? -0.39850214491  ? 1.0315929474    ? 
5 'X-RAY DIFFRACTION' ? refined -14.6386109887 -23.9250057063 -22.2830119321 0.713723989085 ? -0.00655671344205 ? 0.158995735112 ? 
0.748898457004 ? -0.0178305979021 ? 0.557710345995 ? 7.99773521489 ? -0.32485063805  ? 0.205861634543 ? 6.75236138475 ? 
1.17032815654   ? 4.16565596498 ? 0.116014979051    ? -1.32020784639  ? -0.711610206001 ? 0.810033868587   ? -0.404635143666  ? 
0.636820116535  ? 0.655720312401  ? -0.125245904484 ? 0.323074086318  ? 
6 'X-RAY DIFFRACTION' ? refined -5.3749615716  -40.4639646802 -1.04077939848 1.06216586161  ? -0.304335199041   ? 0.0557954470864 
? 1.12365911585  ? -0.189999551477  ? 0.682469174895 ? 8.55861936619 ? 2.45533599848   ? -2.70138678634 ? 0.92882592352 ? 
0.384495438694  ? 7.82292724982 ? 0.247469569596    ? -1.00546388335  ? 0.445680742588  ? -0.254941922028  ? -0.0977321973266 ? 
1.64185935323   ? 2.52654652532   ? -1.14511438541  ? -0.106543753251 ? 
# 
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 72  A 687 ? ? 
;chain 'A' and (resid 631 through 687 )
;
3 'X-RAY DIFFRACTION' 3 A 73  A 688 ? A 95  A 710 ? ? 
;chain 'A' and (resid 688 through 710 )
;
4 'X-RAY DIFFRACTION' 4 A 96  A 711 ? A 104 A 746 ? ? 
;chain 'A' and (resid 711 through 746 )
;
5 'X-RAY DIFFRACTION' 5 A 105 A 747 ? A 118 A 760 ? ? 
;chain 'A' and (resid 747 through 760 )
;
6 'X-RAY DIFFRACTION' 6 A 119 A 761 ? A 132 A 774 ? ? 
;chain 'A' and (resid 761 through 774 )
;
# 
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 ILE 730 ? A ILE 135 
40 1 Y 1 A PRO 731 ? A PRO 136 
41 1 Y 1 A TYR 732 ? A TYR 137 
42 1 Y 1 A ALA 733 ? A ALA 138 
43 1 Y 1 A ASN 734 ? A ASN 139 
44 1 Y 1 A ASN 735 ? A ASN 140 
45 1 Y 1 A GLN 736 ? A GLN 141 
46 1 Y 1 A LYS 737 ? A LYS 142 
47 1 Y 1 A GLU 738 ? A GLU 143 
# 
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 
XJJ O01  O N N 391 
XJJ C02  C N N 392 
XJJ C03  C N N 393 
XJJ N04  N N N 394 
XJJ C05  C N N 395 
XJJ C06  C N N 396 
XJJ N07  N N N 397 
XJJ H031 H N N 398 
XJJ H032 H N N 399 
XJJ H041 H N N 400 
XJJ H051 H N N 401 
XJJ H052 H N N 402 
XJJ H061 H N N 403 
XJJ H062 H N N 404 
XJJ H071 H N N 405 
# 
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 
XJJ C02 O01  doub N N 376 
XJJ C03 C02  sing N N 377 
XJJ N04 C03  sing N N 378 
XJJ C05 N04  sing N N 379 
XJJ C06 C05  sing N N 380 
XJJ N07 C06  sing N N 381 
XJJ C02 N07  sing N N 382 
XJJ C03 H031 sing N N 383 
XJJ C03 H032 sing N N 384 
XJJ N04 H041 sing N N 385 
XJJ C05 H051 sing N N 386 
XJJ C05 H052 sing N N 387 
XJJ C06 H061 sing N N 388 
XJJ C06 H062 sing N N 389 
XJJ N07 H071 sing N N 390 
# 
_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                    9HST 
_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]   0.019810 
_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]   0.014298 
_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]   0.008434 
_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  ? -9.39493  -21.80971 -45.12765 1.000 76.77992  ? 616 LYS A N    1 
ATOM   2    C CA   . LYS A 1 39  ? -10.28403 -22.68005 -44.37551 1.000 72.35352  ? 616 LYS A CA   1 
ATOM   3    C C    . LYS A 1 39  ? -9.80483  -22.83791 -42.93282 1.000 68.46200  ? 616 LYS A C    1 
ATOM   4    O O    . LYS A 1 39  ? -10.54916 -23.32752 -42.08842 1.000 69.38907  ? 616 LYS A O    1 
ATOM   5    C CB   . LYS A 1 39  ? -10.39891 -24.05013 -45.05878 1.000 74.27227  ? 616 LYS A CB   1 
ATOM   6    C CG   . LYS A 1 39  ? -11.34869 -25.01356 -44.36136 1.000 74.85457  ? 616 LYS A CG   1 
ATOM   7    C CD   . LYS A 1 39  ? -11.60852 -26.20057 -45.23629 1.000 74.87160  ? 616 LYS A CD   1 
ATOM   8    C CE   . LYS A 1 39  ? -11.57074 -25.76056 -46.66461 1.000 77.23227  ? 616 LYS A CE   1 
ATOM   9    N NZ   . LYS A 1 39  ? -11.62702 -26.92064 -47.59495 1.000 92.83701  ? 616 LYS A NZ   1 
ATOM   10   N N    . ASN A 1 40  ? -8.57905  -22.40011 -42.64152 1.000 66.03107  ? 617 ASN A N    1 
ATOM   11   C CA   . ASN A 1 40  ? -7.96270  -22.66005 -41.34529 1.000 60.31061  ? 617 ASN A CA   1 
ATOM   12   C C    . ASN A 1 40  ? -8.24994  -21.55759 -40.32940 1.000 59.78662  ? 617 ASN A C    1 
ATOM   13   O O    . ASN A 1 40  ? -8.18229  -20.36760 -40.64477 1.000 62.68561  ? 617 ASN A O    1 
ATOM   14   C CB   . ASN A 1 40  ? -6.45687  -22.82664 -41.49135 1.000 63.29621  ? 617 ASN A CB   1 
ATOM   15   C CG   . ASN A 1 40  ? -5.78406  -23.06250 -40.16497 1.000 62.08004  ? 617 ASN A CG   1 
ATOM   16   O OD1  . ASN A 1 40  ? -5.67603  -24.19611 -39.69223 1.000 63.38982  ? 617 ASN A OD1  1 
ATOM   17   N ND2  . ASN A 1 40  ? -5.34107  -21.98615 -39.54378 1.000 59.01591  ? 617 ASN A ND2  1 
ATOM   18   N N    . VAL A 1 41  ? -8.53441  -21.96440 -39.09336 1.000 57.38379  ? 618 VAL A N    1 
ATOM   19   C CA   . VAL A 1 41  ? -9.03605  -21.07339 -38.05399 1.000 56.45021  ? 618 VAL A CA   1 
ATOM   20   C C    . VAL A 1 41  ? -8.06468  -21.09849 -36.87859 1.000 53.49831  ? 618 VAL A C    1 
ATOM   21   O O    . VAL A 1 41  ? -7.69764  -22.17669 -36.39152 1.000 53.03914  ? 618 VAL A O    1 
ATOM   22   C CB   . VAL A 1 41  ? -10.45769 -21.48793 -37.61653 1.000 54.60379  ? 618 VAL A CB   1 
ATOM   23   C CG1  . VAL A 1 41  ? -11.05401 -20.51093 -36.63440 1.000 48.67854  ? 618 VAL A CG1  1 
ATOM   24   C CG2  . VAL A 1 41  ? -11.34718 -21.60349 -38.82015 1.000 54.81378  ? 618 VAL A CG2  1 
ATOM   25   N N    . VAL A 1 42  ? -7.66244  -19.91516 -36.41873 1.000 50.54433  ? 619 VAL A N    1 
ATOM   26   C CA   . VAL A 1 42  ? -6.74699  -19.77906 -35.28857 1.000 51.15423  ? 619 VAL A CA   1 
ATOM   27   C C    . VAL A 1 42  ? -7.56227  -19.61580 -34.01165 1.000 51.67721  ? 619 VAL A C    1 
ATOM   28   O O    . VAL A 1 42  ? -8.31207  -18.64697 -33.85541 1.000 51.80813  ? 619 VAL A O    1 
ATOM   29   C CB   . VAL A 1 42  ? -5.78267  -18.60541 -35.48580 1.000 48.03521  ? 619 VAL A CB   1 
ATOM   30   C CG1  . VAL A 1 42  ? -4.74245  -18.59133 -34.40248 1.000 44.21119  ? 619 VAL A CG1  1 
ATOM   31   C CG2  . VAL A 1 42  ? -5.13222  -18.71726 -36.83486 1.000 46.12383  ? 619 VAL A CG2  1 
ATOM   32   N N    . ILE A 1 43  ? -7.40464  -20.57097 -33.10151 1.000 49.14111  ? 620 ILE A N    1 
ATOM   33   C CA   . ILE A 1 43  ? -8.03461  -20.58179 -31.78612 1.000 49.18958  ? 620 ILE A CA   1 
ATOM   34   C C    . ILE A 1 43  ? -6.97781  -20.24646 -30.74735 1.000 47.95069  ? 620 ILE A C    1 
ATOM   35   O O    . ILE A 1 43  ? -5.85372  -20.75708 -30.80944 1.000 48.00999  ? 620 ILE A O    1 
ATOM   36   C CB   . ILE A 1 43  ? -8.64186  -21.96288 -31.47716 1.000 49.49464  ? 620 ILE A CB   1 
ATOM   37   C CG1  . ILE A 1 43  ? -9.45739  -22.49588 -32.65632 1.000 47.38138  ? 620 ILE A CG1  1 
ATOM   38   C CG2  . ILE A 1 43  ? -9.40702  -21.92416 -30.16143 1.000 47.30713  ? 620 ILE A CG2  1 
ATOM   39   C CD1  . ILE A 1 43  ? -10.58686 -21.61932 -33.05550 1.000 48.27130  ? 620 ILE A CD1  1 
ATOM   40   N N    . TYR A 1 44  ? -7.33989  -19.44184 -29.75635 1.000 47.52036  ? 621 TYR A N    1 
ATOM   41   C CA   . TYR A 1 44  ? -6.40659  -19.06835 -28.70324 1.000 49.77141  ? 621 TYR A CA   1 
ATOM   42   C C    . TYR A 1 44  ? -6.99415  -19.42889 -27.34526 1.000 50.29991  ? 621 TYR A C    1 
ATOM   43   O O    . TYR A 1 44  ? -8.08925  -18.98063 -26.99953 1.000 49.04270  ? 621 TYR A O    1 
ATOM   44   C CB   . TYR A 1 44  ? -6.08292  -17.58271 -28.76762 1.000 47.10780  ? 621 TYR A CB   1 
ATOM   45   C CG   . TYR A 1 44  ? -5.22321  -17.13145 -27.63624 1.000 46.81777  ? 621 TYR A CG   1 
ATOM   46   C CD1  . TYR A 1 44  ? -3.87853  -17.41155 -27.61751 1.000 48.56041  ? 621 TYR A CD1  1 
ATOM   47   C CD2  . TYR A 1 44  ? -5.76244  -16.43091 -26.57197 1.000 49.38446  ? 621 TYR A CD2  1 
ATOM   48   C CE1  . TYR A 1 44  ? -3.07425  -16.98811 -26.55838 1.000 49.85196  ? 621 TYR A CE1  1 
ATOM   49   C CE2  . TYR A 1 44  ? -4.98513  -16.01267 -25.51465 1.000 48.02339  ? 621 TYR A CE2  1 
ATOM   50   C CZ   . TYR A 1 44  ? -3.63232  -16.29041 -25.50990 1.000 51.91515  ? 621 TYR A CZ   1 
ATOM   51   O OH   . TYR A 1 44  ? -2.84033  -15.87782 -24.45726 1.000 52.20553  ? 621 TYR A OH   1 
ATOM   52   N N    . ALA A 1 45  ? -6.26853  -20.23188 -26.57748 1.000 47.73814  ? 622 ALA A N    1 
ATOM   53   C CA   . ALA A 1 45  ? -6.68137  -20.59922 -25.23011 1.000 49.93248  ? 622 ALA A CA   1 
ATOM   54   C C    . ALA A 1 45  ? -5.51524  -20.38276 -24.27813 1.000 49.87273  ? 622 ALA A C    1 
ATOM   55   O O    . ALA A 1 45  ? -4.41569  -20.89408 -24.50055 1.000 51.33170  ? 622 ALA A O    1 
ATOM   56   C CB   . ALA A 1 45  ? -7.16089  -22.05160 -25.17116 1.000 48.17498  ? 622 ALA A CB   1 
ATOM   57   N N    . ASP A 1 46  ? -5.74541  -19.60848 -23.23734 1.000 52.01994  ? 623 ASP A N    1 
ATOM   58   C CA   . ASP A 1 46  ? -4.72076  -19.31285 -22.25775 1.000 51.47784  ? 623 ASP A CA   1 
ATOM   59   C C    . ASP A 1 46  ? -5.15932  -19.83625 -20.90332 1.000 55.53900  ? 623 ASP A C    1 
ATOM   60   O O    . ASP A 1 46  ? -6.33764  -20.10316 -20.65821 1.000 56.48990  ? 623 ASP A O    1 
ATOM   61   C CB   . ASP A 1 46  ? -4.45037  -17.80452 -22.17962 1.000 55.29247  ? 623 ASP A CB   1 
ATOM   62   C CG   . ASP A 1 46  ? -5.68637  -17.01433 -21.80795 1.000 59.79731  ? 623 ASP A CG   1 
ATOM   63   O OD1  . ASP A 1 46  ? -6.69118  -17.64169 -21.40990 1.000 66.43158  ? 623 ASP A OD1  1 
ATOM   64   O OD2  . ASP A 1 46  ? -5.66187  -15.76826 -21.89438 1.000 60.94721  ? 623 ASP A OD2  1 
ATOM   65   N N    . GLY A 1 47  ? -4.19086  -19.94069 -20.01107 1.000 56.74380  ? 624 GLY A N    1 
ATOM   66   C CA   . GLY A 1 47  ? -4.45447  -20.43013 -18.67816 1.000 53.48779  ? 624 GLY A CA   1 
ATOM   67   C C    . GLY A 1 47  ? -3.15855  -20.54694 -17.91422 1.000 54.73869  ? 624 GLY A C    1 
ATOM   68   O O    . GLY A 1 47  ? -2.07981  -20.22921 -18.41347 1.000 56.15148  ? 624 GLY A O    1 
ATOM   69   N N    . VAL A 1 48  ? -3.29023  -20.98992 -16.67365 1.000 54.47162  ? 625 VAL A N    1 
ATOM   70   C CA   . VAL A 1 48  ? -2.10521  -21.25355 -15.88241 1.000 50.24090  ? 625 VAL A CA   1 
ATOM   71   C C    . VAL A 1 48  ? -1.54158  -22.61136 -16.22192 1.000 48.62960  ? 625 VAL A C    1 
ATOM   72   O O    . VAL A 1 48  ? -0.32980  -22.81414 -16.20057 1.000 53.74639  ? 625 VAL A O    1 
ATOM   73   C CB   . VAL A 1 48  ? -2.42896  -21.14344 -14.38828 1.000 55.88219  ? 625 VAL A CB   1 
ATOM   74   C CG1  . VAL A 1 48  ? -1.17856  -21.41531 -13.58453 1.000 55.88071  ? 625 VAL A CG1  1 
ATOM   75   C CG2  . VAL A 1 48  ? -2.97694  -19.76385 -14.07840 1.000 57.54321  ? 625 VAL A CG2  1 
ATOM   76   N N    . TYR A 1 49  ? -2.40864  -23.56045 -16.52054 1.000 48.91871  ? 626 TYR A N    1 
ATOM   77   C CA   . TYR A 1 49  ? -2.01659  -24.92471 -16.84590 1.000 52.18512  ? 626 TYR A CA   1 
ATOM   78   C C    . TYR A 1 49  ? -1.12628  -25.52484 -15.77615 1.000 55.13081  ? 626 TYR A C    1 
ATOM   79   O O    . TYR A 1 49  ? -0.25325  -26.34445 -16.05951 1.000 60.56657  ? 626 TYR A O    1 
ATOM   80   C CB   . TYR A 1 49  ? -1.34991  -24.99430 -18.21819 1.000 52.61177  ? 626 TYR A CB   1 
ATOM   81   C CG   . TYR A 1 49  ? -2.31685  -24.57899 -19.28966 1.000 49.52993  ? 626 TYR A CG   1 
ATOM   82   C CD1  . TYR A 1 49  ? -3.38535  -25.38596 -19.62969 1.000 47.67203  ? 626 TYR A CD1  1 
ATOM   83   C CD2  . TYR A 1 49  ? -2.20928  -23.34748 -19.91079 1.000 50.65623  ? 626 TYR A CD2  1 
ATOM   84   C CE1  . TYR A 1 49  ? -4.28660  -24.99909 -20.58807 1.000 48.09646  ? 626 TYR A CE1  1 
ATOM   85   C CE2  . TYR A 1 49  ? -3.12616  -22.94943 -20.86279 1.000 50.57318  ? 626 TYR A CE2  1 
ATOM   86   C CZ   . TYR A 1 49  ? -4.15125  -23.77965 -21.19897 1.000 47.12473  ? 626 TYR A CZ   1 
ATOM   87   O OH   . TYR A 1 49  ? -5.04441  -23.39513 -22.15017 1.000 46.24396  ? 626 TYR A OH   1 
ATOM   88   N N    . ASP A 1 50  ? -1.34522  -25.13181 -14.53467 1.000 53.90782  ? 627 ASP A N    1 
ATOM   89   C CA   . ASP A 1 50  ? -0.52505  -25.64791 -13.45703 1.000 53.85232  ? 627 ASP A CA   1 
ATOM   90   C C    . ASP A 1 50  ? -0.87423  -27.11098 -13.21466 1.000 57.02405  ? 627 ASP A C    1 
ATOM   91   O O    . ASP A 1 50  ? -2.04888  -27.48371 -13.18515 1.000 60.12905  ? 627 ASP A O    1 
ATOM   92   C CB   . ASP A 1 50  ? -0.74925  -24.80135 -12.20377 1.000 56.79660  ? 627 ASP A CB   1 
ATOM   93   C CG   . ASP A 1 50  ? 0.28598   -25.03549 -11.14411 1.000 60.35893  ? 627 ASP A CG   1 
ATOM   94   O OD1  . ASP A 1 50  ? 1.31030   -25.65045 -11.44602 1.000 60.86331  ? 627 ASP A OD1  1 
ATOM   95   O OD2  . ASP A 1 50  ? 0.07232   -24.61517 -9.99264  1.000 67.65108  ? 627 ASP A OD2  1 
ATOM   96   N N    . MET A 1 51  ? 0.15318   -27.94664 -13.06804 1.000 57.02860  ? 628 MET A N    1 
ATOM   97   C CA   . MET A 1 51  ? -0.00715  -29.37924 -12.82823 1.000 55.65399  ? 628 MET A CA   1 
ATOM   98   C C    . MET A 1 51  ? -1.03793  -30.02014 -13.74790 1.000 54.59749  ? 628 MET A C    1 
ATOM   99   O O    . MET A 1 51  ? -2.09210  -30.46330 -13.29692 1.000 61.19109  ? 628 MET A O    1 
ATOM   100  C CB   . MET A 1 51  ? -0.36966  -29.61924 -11.36407 1.000 59.25038  ? 628 MET A CB   1 
ATOM   101  C CG   . MET A 1 51  ? 0.74944   -29.25820 -10.41782 1.000 62.15147  ? 628 MET A CG   1 
ATOM   102  S SD   . MET A 1 51  ? 0.34463   -29.52080 -8.68202  1.000 84.52458  ? 628 MET A SD   1 
ATOM   103  C CE   . MET A 1 51  ? -0.87740  -28.23727 -8.38374  1.000 72.51115  ? 628 MET A CE   1 
ATOM   104  N N    . LEU A 1 52  ? -0.70835  -30.11454 -15.03144 1.000 57.51008  ? 629 LEU A N    1 
ATOM   105  C CA   . LEU A 1 52  ? -1.68525  -30.43776 -16.06233 1.000 58.98251  ? 629 LEU A CA   1 
ATOM   106  C C    . LEU A 1 52  ? -2.32437  -31.80207 -15.83570 1.000 60.47263  ? 629 LEU A C    1 
ATOM   107  O O    . LEU A 1 52  ? -1.63882  -32.77766 -15.52457 1.000 61.64891  ? 629 LEU A O    1 
ATOM   108  C CB   . LEU A 1 52  ? -1.00721  -30.41231 -17.42796 1.000 56.04864  ? 629 LEU A CB   1 
ATOM   109  C CG   . LEU A 1 52  ? -1.88596  -30.25344 -18.66630 1.000 55.91682  ? 629 LEU A CG   1 
ATOM   110  C CD1  . LEU A 1 52  ? -2.25180  -28.80397 -18.87638 1.000 54.19076  ? 629 LEU A CD1  1 
ATOM   111  C CD2  . LEU A 1 52  ? -1.12974  -30.79799 -19.85854 1.000 54.77371  ? 629 LEU A CD2  1 
ATOM   112  N N    . HIS A 1 53  ? -3.64601  -31.87416 -16.02858 1.000 60.27483  ? 630 HIS A N    1 
ATOM   113  C CA   . HIS A 1 53  ? -4.39763  -33.10564 -15.81021 1.000 62.34494  ? 630 HIS A CA   1 
ATOM   114  C C    . HIS A 1 53  ? -5.42892  -33.30432 -16.92542 1.000 58.86244  ? 630 HIS A C    1 
ATOM   115  O O    . HIS A 1 53  ? -5.57663  -32.48068 -17.83452 1.000 59.18255  ? 630 HIS A O    1 
ATOM   116  C CB   . HIS A 1 53  ? -5.05661  -33.12101 -14.41762 1.000 64.85312  ? 630 HIS A CB   1 
ATOM   117  C CG   . HIS A 1 53  ? -5.87905  -31.90710 -14.10883 1.000 71.18349  ? 630 HIS A CG   1 
ATOM   118  N ND1  . HIS A 1 53  ? -7.24420  -31.85991 -14.30069 1.000 75.99372  ? 630 HIS A ND1  1 
ATOM   119  C CD2  . HIS A 1 53  ? -5.52838  -30.69531 -13.61693 1.000 73.13051  ? 630 HIS A CD2  1 
ATOM   120  C CE1  . HIS A 1 53  ? -7.69594  -30.66892 -13.95020 1.000 74.45254  ? 630 HIS A CE1  1 
ATOM   121  N NE2  . HIS A 1 53  ? -6.67540  -29.94288 -13.53125 1.000 73.23293  ? 630 HIS A NE2  1 
ATOM   122  N N    . LEU A 1 54  ? -6.13465  -34.43764 -16.84535 1.000 62.54493  ? 631 LEU A N    1 
ATOM   123  C CA   . LEU A 1 54  ? -7.09465  -34.84379 -17.86615 1.000 59.57085  ? 631 LEU A CA   1 
ATOM   124  C C    . LEU A 1 54  ? -8.10721  -33.75240 -18.15709 1.000 62.20341  ? 631 LEU A C    1 
ATOM   125  O O    . LEU A 1 54  ? -8.56235  -33.61255 -19.29933 1.000 59.84028  ? 631 LEU A O    1 
ATOM   126  C CB   . LEU A 1 54  ? -7.80120  -36.11840 -17.41322 1.000 57.21026  ? 631 LEU A CB   1 
ATOM   127  C CG   . LEU A 1 54  ? -8.78274  -36.78299 -18.37087 1.000 60.68518  ? 631 LEU A CG   1 
ATOM   128  C CD1  . LEU A 1 54  ? -8.08918  -37.15524 -19.65161 1.000 60.47307  ? 631 LEU A CD1  1 
ATOM   129  C CD2  . LEU A 1 54  ? -9.35475  -38.01938 -17.72075 1.000 57.02312  ? 631 LEU A CD2  1 
ATOM   130  N N    . GLY A 1 55  ? -8.45462  -32.95918 -17.14209 1.000 61.68080  ? 632 GLY A N    1 
ATOM   131  C CA   . GLY A 1 55  ? -9.36363  -31.84771 -17.35596 1.000 59.83147  ? 632 GLY A CA   1 
ATOM   132  C C    . GLY A 1 55  ? -8.80038  -30.78759 -18.28240 1.000 60.28115  ? 632 GLY A C    1 
ATOM   133  O O    . GLY A 1 55  ? -9.52772  -30.23483 -19.11151 1.000 62.72809  ? 632 GLY A O    1 
ATOM   134  N N    . HIS A 1 56  ? -7.50635  -30.46107 -18.13425 1.000 58.75347  ? 633 HIS A N    1 
ATOM   135  C CA   . HIS A 1 56  ? -6.87525  -29.52307 -19.06061 1.000 53.97214  ? 633 HIS A CA   1 
ATOM   136  C C    . HIS A 1 56  ? -6.86775  -30.09221 -20.46975 1.000 55.95104  ? 633 HIS A C    1 
ATOM   137  O O    . HIS A 1 56  ? -7.09999  -29.37323 -21.45023 1.000 56.08563  ? 633 HIS A O    1 
ATOM   138  C CB   . HIS A 1 56  ? -5.43827  -29.20571 -18.64061 1.000 55.10290  ? 633 HIS A CB   1 
ATOM   139  C CG   . HIS A 1 56  ? -5.31595  -28.41605 -17.37135 1.000 60.49573  ? 633 HIS A CG   1 
ATOM   140  N ND1  . HIS A 1 56  ? -5.01992  -28.99797 -16.15513 1.000 58.70763  ? 633 HIS A ND1  1 
ATOM   141  C CD2  . HIS A 1 56  ? -5.40749  -27.08597 -17.13759 1.000 57.97378  ? 633 HIS A CD2  1 
ATOM   142  C CE1  . HIS A 1 56  ? -4.95693  -28.06320 -15.22648 1.000 59.75793  ? 633 HIS A CE1  1 
ATOM   143  N NE2  . HIS A 1 56  ? -5.18426  -26.89439 -15.79604 1.000 60.18520  ? 633 HIS A NE2  1 
ATOM   144  N N    . MET A 1 57  ? -6.60784  -31.38917 -20.59082 1.000 54.81984  ? 634 MET A N    1 
ATOM   145  C CA   . MET A 1 57  ? -6.44128  -31.97695 -21.90763 1.000 51.36040  ? 634 MET A CA   1 
ATOM   146  C C    . MET A 1 57  ? -7.77555  -32.05936 -22.64773 1.000 52.15470  ? 634 MET A C    1 
ATOM   147  O O    . MET A 1 57  ? -7.85776  -31.70567 -23.82530 1.000 54.09004  ? 634 MET A O    1 
ATOM   148  C CB   . MET A 1 57  ? -5.77037  -33.33958 -21.76612 1.000 52.07730  ? 634 MET A CB   1 
ATOM   149  C CG   . MET A 1 57  ? -4.53107  -33.29921 -20.88389 1.000 52.35001  ? 634 MET A CG   1 
ATOM   150  S SD   . MET A 1 57  ? -3.75607  -34.91180 -20.56316 1.000 51.22537  ? 634 MET A SD   1 
ATOM   151  C CE   . MET A 1 57  ? -2.64780  -34.50373 -19.21824 1.000 40.53620  ? 634 MET A CE   1 
ATOM   152  N N    . LYS A 1 58  ? -8.84387  -32.48728 -21.97839 1.000 51.22554  ? 635 LYS A N    1 
ATOM   153  C CA   . LYS A 1 58  ? -10.14059 -32.45896 -22.65096 1.000 53.45442  ? 635 LYS A CA   1 
ATOM   154  C C    . LYS A 1 58  ? -10.50272 -31.04856 -23.08064 1.000 54.51340  ? 635 LYS A C    1 
ATOM   155  O O    . LYS A 1 58  ? -11.08099 -30.84937 -24.15537 1.000 55.62419  ? 635 LYS A O    1 
ATOM   156  C CB   . LYS A 1 58  ? -11.21566 -33.03706 -21.74855 1.000 53.79806  ? 635 LYS A CB   1 
ATOM   157  C CG   . LYS A 1 58  ? -11.09740 -34.52102 -21.59842 1.000 57.64512  ? 635 LYS A CG   1 
ATOM   158  C CD   . LYS A 1 58  ? -11.61062 -34.98985 -20.25747 1.000 62.79490  ? 635 LYS A CD   1 
ATOM   159  C CE   . LYS A 1 58  ? -13.03630 -35.43403 -20.34543 1.000 63.07111  ? 635 LYS A CE   1 
ATOM   160  N NZ   . LYS A 1 58  ? -13.35744 -36.36048 -19.21463 1.000 74.84839  ? 635 LYS A NZ   1 
ATOM   161  N N    . GLN A 1 59  ? -10.13398 -30.05685 -22.27370 1.000 55.58795  ? 636 GLN A N    1 
ATOM   162  C CA   . GLN A 1 59  ? -10.36423 -28.66732 -22.64087 1.000 55.63258  ? 636 GLN A CA   1 
ATOM   163  C C    . GLN A 1 59  ? -9.60698  -28.29806 -23.90611 1.000 49.91821  ? 636 GLN A C    1 
ATOM   164  O O    . GLN A 1 59  ? -10.16458 -27.67935 -24.81864 1.000 52.12974  ? 636 GLN A O    1 
ATOM   165  C CB   . GLN A 1 59  ? -9.94743  -27.75561 -21.49363 1.000 57.63919  ? 636 GLN A CB   1 
ATOM   166  C CG   . GLN A 1 59  ? -10.63235 -26.41818 -21.51411 1.000 64.87622  ? 636 GLN A CG   1 
ATOM   167  C CD   . GLN A 1 59  ? -11.56531 -26.23825 -20.33205 1.000 78.16551  ? 636 GLN A CD   1 
ATOM   168  O OE1  . GLN A 1 59  ? -11.32691 -26.78598 -19.25556 1.000 81.47691  ? 636 GLN A OE1  1 
ATOM   169  N NE2  . GLN A 1 59  ? -12.63904 -25.47124 -20.52587 1.000 81.91973  ? 636 GLN A NE2  1 
ATOM   170  N N    . LEU A 1 60  ? -8.31885  -28.63729 -23.96323 1.000 52.76677  ? 637 LEU A N    1 
ATOM   171  C CA   . LEU A 1 60  ? -7.53498  -28.33099 -25.14917 1.000 46.66971  ? 637 LEU A CA   1 
ATOM   172  C C    . LEU A 1 60  ? -8.04283  -29.11241 -26.35924 1.000 48.68625  ? 637 LEU A C    1 
ATOM   173  O O    . LEU A 1 60  ? -8.14348  -28.57204 -27.46327 1.000 47.61137  ? 637 LEU A O    1 
ATOM   174  C CB   . LEU A 1 60  ? -6.07273  -28.62886 -24.87088 1.000 48.26483  ? 637 LEU A CB   1 
ATOM   175  C CG   . LEU A 1 60  ? -5.40744  -27.78467 -23.78389 1.000 47.43927  ? 637 LEU A CG   1 
ATOM   176  C CD1  . LEU A 1 60  ? -4.03102  -28.34163 -23.45475 1.000 45.01520  ? 637 LEU A CD1  1 
ATOM   177  C CD2  . LEU A 1 60  ? -5.26416  -26.37447 -24.23140 1.000 47.72917  ? 637 LEU A CD2  1 
ATOM   178  N N    . GLU A 1 61  ? -8.38577  -30.38143 -26.16996 1.000 47.18427  ? 638 GLU A N    1 
ATOM   179  C CA   . GLU A 1 61  ? -9.01578  -31.13036 -27.24637 1.000 47.49476  ? 638 GLU A CA   1 
ATOM   180  C C    . GLU A 1 61  ? -10.22636 -30.39812 -27.77641 1.000 50.75297  ? 638 GLU A C    1 
ATOM   181  O O    . GLU A 1 61  ? -10.43808 -30.32241 -28.99148 1.000 51.14329  ? 638 GLU A O    1 
ATOM   182  C CB   . GLU A 1 61  ? -9.44610  -32.50813 -26.76782 1.000 44.86191  ? 638 GLU A CB   1 
ATOM   183  C CG   . GLU A 1 61  ? -10.07636 -33.29270 -27.85788 1.000 45.87444  ? 638 GLU A CG   1 
ATOM   184  C CD   . GLU A 1 61  ? -10.39772 -34.71155 -27.44918 1.000 51.62594  ? 638 GLU A CD   1 
ATOM   185  O OE1  . GLU A 1 61  ? -10.61217 -34.97256 -26.24182 1.000 55.94865  ? 638 GLU A OE1  1 
ATOM   186  O OE2  . GLU A 1 61  ? -10.45349 -35.58044 -28.33990 1.000 53.82897  ? 638 GLU A OE2  1 
ATOM   187  N N    . GLN A 1 62  ? -11.03901 -29.85722 -26.87458 1.000 48.90106  ? 639 GLN A N    1 
ATOM   188  C CA   . GLN A 1 62  ? -12.28806 -29.23604 -27.28371 1.000 50.12635  ? 639 GLN A CA   1 
ATOM   189  C C    . GLN A 1 62  ? -12.02932 -28.02049 -28.16011 1.000 52.02757  ? 639 GLN A C    1 
ATOM   190  O O    . GLN A 1 62  ? -12.52332 -27.93528 -29.29359 1.000 51.69146  ? 639 GLN A O    1 
ATOM   191  C CB   . GLN A 1 62  ? -13.09574 -28.86123 -26.04930 1.000 53.26968  ? 639 GLN A CB   1 
ATOM   192  C CG   . GLN A 1 62  ? -14.48240 -28.40230 -26.37084 1.000 60.91839  ? 639 GLN A CG   1 
ATOM   193  C CD   . GLN A 1 62  ? -15.32512 -28.22542 -25.13030 1.000 67.43154  ? 639 GLN A CD   1 
ATOM   194  O OE1  . GLN A 1 62  ? -14.99281 -28.73298 -24.05948 1.000 71.13250  ? 639 GLN A OE1  1 
ATOM   195  N NE2  . GLN A 1 62  ? -16.42745 -27.51113 -25.26859 1.000 71.48522  ? 639 GLN A NE2  1 
ATOM   196  N N    . ALA A 1 63  ? -11.23679 -27.07466 -27.65674 1.000 50.15443  ? 640 ALA A N    1 
ATOM   197  C CA   . ALA A 1 63  ? -10.87777 -25.91694 -28.45953 1.000 48.23525  ? 640 ALA A CA   1 
ATOM   198  C C    . ALA A 1 63  ? -10.30909 -26.35672 -29.79976 1.000 49.45195  ? 640 ALA A C    1 
ATOM   199  O O    . ALA A 1 63  ? -10.71218 -25.85857 -30.85616 1.000 52.69087  ? 640 ALA A O    1 
ATOM   200  C CB   . ALA A 1 63  ? -9.87932  -25.04860 -27.69772 1.000 49.27984  ? 640 ALA A CB   1 
ATOM   201  N N    . LYS A 1 64  ? -9.39216  -27.32469 -29.77727 1.000 48.47258  ? 641 LYS A N    1 
ATOM   202  C CA   . LYS A 1 64  ? -8.74459  -27.74360 -31.01307 1.000 48.01370  ? 641 LYS A CA   1 
ATOM   203  C C    . LYS A 1 64  ? -9.76973  -28.18476 -32.05385 1.000 51.13893  ? 641 LYS A C    1 
ATOM   204  O O    . LYS A 1 64  ? -9.66335  -27.81891 -33.22811 1.000 49.81438  ? 641 LYS A O    1 
ATOM   205  C CB   . LYS A 1 64  ? -7.72956  -28.85577 -30.73609 1.000 45.64974  ? 641 LYS A CB   1 
ATOM   206  C CG   . LYS A 1 64  ? -7.21705  -29.56024 -31.98323 1.000 45.93080  ? 641 LYS A CG   1 
ATOM   207  C CD   . LYS A 1 64  ? -6.51009  -28.60431 -32.88750 1.000 49.38719  ? 641 LYS A CD   1 
ATOM   208  C CE   . LYS A 1 64  ? -5.83455  -29.34481 -34.01318 1.000 50.17422  ? 641 LYS A CE   1 
ATOM   209  N NZ   . LYS A 1 64  ? -4.98974  -28.43491 -34.81455 1.000 51.51292  ? 641 LYS A NZ   1 
ATOM   210  N N    . LYS A 1 65  ? -10.77654 -28.96199 -31.64254 1.000 53.36066  ? 642 LYS A N    1 
ATOM   211  C CA   . LYS A 1 65  ? -11.79370 -29.48291 -32.55037 1.000 51.88615  ? 642 LYS A CA   1 
ATOM   212  C C    . LYS A 1 65  ? -12.99473 -28.56843 -32.67826 1.000 48.44726  ? 642 LYS A C    1 
ATOM   213  O O    . LYS A 1 65  ? -14.04513 -29.01369 -33.12867 1.000 48.58074  ? 642 LYS A O    1 
ATOM   214  C CB   . LYS A 1 65  ? -12.25944 -30.86968 -32.11061 1.000 48.82172  ? 642 LYS A CB   1 
ATOM   215  C CG   . LYS A 1 65  ? -11.13098 -31.83853 -32.02049 1.000 43.77998  ? 642 LYS A CG   1 
ATOM   216  C CD   . LYS A 1 65  ? -11.61749 -33.23931 -31.73185 1.000 44.43938  ? 642 LYS A CD   1 
ATOM   217  C CE   . LYS A 1 65  ? -10.41785 -34.15479 -31.58094 1.000 48.47262  ? 642 LYS A CE   1 
ATOM   218  N NZ   . LYS A 1 65  ? -10.70584 -35.61203 -31.43242 1.000 51.29686  ? 642 LYS A NZ   1 
ATOM   219  N N    . LEU A 1 66  ? -12.86558 -27.29623 -32.31600 1.000 50.77665  ? 643 LEU A N    1 
ATOM   220  C CA   . LEU A 1 66  ? -13.96035 -26.37170 -32.58883 1.000 50.34441  ? 643 LEU A CA   1 
ATOM   221  C C    . LEU A 1 66  ? -14.28912 -26.29583 -34.07768 1.000 52.38368  ? 643 LEU A C    1 
ATOM   222  O O    . LEU A 1 66  ? -15.44047 -26.03497 -34.43387 1.000 54.09326  ? 643 LEU A O    1 
ATOM   223  C CB   . LEU A 1 66  ? -13.62856 -24.98125 -32.04639 1.000 51.22352  ? 643 LEU A CB   1 
ATOM   224  C CG   . LEU A 1 66  ? -13.69237 -24.82648 -30.52165 1.000 53.34320  ? 643 LEU A CG   1 
ATOM   225  C CD1  . LEU A 1 66  ? -13.00346 -23.53644 -30.06170 1.000 47.80001  ? 643 LEU A CD1  1 
ATOM   226  C CD2  . LEU A 1 66  ? -15.13137 -24.87176 -30.06328 1.000 47.35896  ? 643 LEU A CD2  1 
ATOM   227  N N    . PHE A 1 67  ? -13.30772 -26.49315 -34.96236 1.000 52.47602  ? 644 PHE A N    1 
ATOM   228  C CA   . PHE A 1 67  ? -13.57521 -26.49759 -36.40071 1.000 51.87725  ? 644 PHE A CA   1 
ATOM   229  C C    . PHE A 1 67  ? -12.72572 -27.55599 -37.09194 1.000 54.95823  ? 644 PHE A C    1 
ATOM   230  O O    . PHE A 1 67  ? -11.74652 -28.05708 -36.53085 1.000 56.81871  ? 644 PHE A O    1 
ATOM   231  C CB   . PHE A 1 67  ? -13.28933 -25.15442 -37.06471 1.000 51.22511  ? 644 PHE A CB   1 
ATOM   232  C CG   . PHE A 1 67  ? -13.98587 -23.99407 -36.43807 1.000 52.77522  ? 644 PHE A CG   1 
ATOM   233  C CD1  . PHE A 1 67  ? -13.40676 -23.30492 -35.38806 1.000 53.93561  ? 644 PHE A CD1  1 
ATOM   234  C CD2  . PHE A 1 67  ? -15.19125 -23.53749 -36.93723 1.000 49.20245  ? 644 PHE A CD2  1 
ATOM   235  C CE1  . PHE A 1 67  ? -14.04733 -22.19636 -34.82067 1.000 53.49528  ? 644 PHE A CE1  1 
ATOM   236  C CE2  . PHE A 1 67  ? -15.83181 -22.43818 -36.36749 1.000 49.88560  ? 644 PHE A CE2  1 
ATOM   237  C CZ   . PHE A 1 67  ? -15.26088 -21.76961 -35.31325 1.000 49.11381  ? 644 PHE A CZ   1 
ATOM   238  N N    . GLU A 1 68  ? -13.09254 -27.86267 -38.34503 1.000 54.17581  ? 645 GLU A N    1 
ATOM   239  C CA   . GLU A 1 68  ? -12.38941 -28.90890 -39.07788 1.000 52.89982  ? 645 GLU A CA   1 
ATOM   240  C C    . GLU A 1 68  ? -10.90183 -28.59946 -39.19515 1.000 57.26910  ? 645 GLU A C    1 
ATOM   241  O O    . GLU A 1 68  ? -10.07150 -29.49183 -39.03498 1.000 60.96156  ? 645 GLU A O    1 
ATOM   242  C CB   . GLU A 1 68  ? -13.01166 -29.10499 -40.45690 1.000 55.10546  ? 645 GLU A CB   1 
ATOM   243  N N    . ASN A 1 69  ? -10.54300 -27.34071 -39.44303 1.000 59.11062  ? 646 ASN A N    1 
ATOM   244  C CA   . ASN A 1 69  ? -9.16066  -26.92145 -39.70032 1.000 56.58593  ? 646 ASN A CA   1 
ATOM   245  C C    . ASN A 1 69  ? -8.77133  -25.81001 -38.73937 1.000 53.28307  ? 646 ASN A C    1 
ATOM   246  O O    . ASN A 1 69  ? -9.09300  -24.64189 -38.97137 1.000 56.70452  ? 646 ASN A O    1 
ATOM   247  C CB   . ASN A 1 69  ? -8.98287  -26.42474 -41.13275 1.000 61.02759  ? 646 ASN A CB   1 
ATOM   248  C CG   . ASN A 1 69  ? -9.17483  -27.51615 -42.15548 1.000 70.25924  ? 646 ASN A CG   1 
ATOM   249  O OD1  . ASN A 1 69  ? -9.79525  -27.30272 -43.21259 1.000 72.27808  ? 646 ASN A OD1  1 
ATOM   250  N ND2  . ASN A 1 69  ? -8.64046  -28.70461 -41.85340 1.000 66.43304  ? 646 ASN A ND2  1 
ATOM   251  N N    . THR A 1 70  ? -8.02948  -26.15030 -37.70355 1.000 51.98684  ? 647 THR A N    1 
ATOM   252  C CA   . THR A 1 70  ? -7.64204  -25.16529 -36.72007 1.000 51.16798  ? 647 THR A CA   1 
ATOM   253  C C    . THR A 1 70  ? -6.14844  -25.21648 -36.44704 1.000 57.27606  ? 647 THR A C    1 
ATOM   254  O O    . THR A 1 70  ? -5.47825  -26.24491 -36.61108 1.000 54.08316  ? 647 THR A O    1 
ATOM   255  C CB   . THR A 1 70  ? -8.36871  -25.38157 -35.40986 1.000 51.35475  ? 647 THR A CB   1 
ATOM   256  O OG1  . THR A 1 70  ? -7.82532  -26.54579 -34.77447 1.000 52.13640  ? 647 THR A OG1  1 
ATOM   257  C CG2  . THR A 1 70  ? -9.82158  -25.60006 -35.67102 1.000 53.40398  ? 647 THR A CG2  1 
ATOM   258  N N    . THR A 1 71  ? -5.64932  -24.07076 -36.00349 1.000 54.37737  ? 648 THR A N    1 
ATOM   259  C CA   . THR A 1 71  ? -4.37751  -23.96485 -35.30959 1.000 52.83473  ? 648 THR A CA   1 
ATOM   260  C C    . THR A 1 71  ? -4.67878  -23.54479 -33.87799 1.000 48.55612  ? 648 THR A C    1 
ATOM   261  O O    . THR A 1 71  ? -5.23785  -22.46703 -33.66268 1.000 50.28876  ? 648 THR A O    1 
ATOM   262  C CB   . THR A 1 71  ? -3.48362  -22.94591 -36.00786 1.000 47.25326  ? 648 THR A CB   1 
ATOM   263  O OG1  . THR A 1 71  ? -3.34695  -23.34270 -37.37057 1.000 59.77312  ? 648 THR A OG1  1 
ATOM   264  C CG2  . THR A 1 71  ? -2.11013  -22.86899 -35.36955 1.000 49.99792  ? 648 THR A CG2  1 
ATOM   265  N N    . LEU A 1 72  ? -4.34095  -24.39810 -32.90587 1.000 48.74618  ? 649 LEU A N    1 
ATOM   266  C CA   . LEU A 1 72  ? -4.51811  -24.06591 -31.49335 1.000 46.71409  ? 649 LEU A CA   1 
ATOM   267  C C    . LEU A 1 72  ? -3.25813  -23.38510 -30.97895 1.000 47.42753  ? 649 LEU A C    1 
ATOM   268  O O    . LEU A 1 72  ? -2.16158  -23.95862 -31.04055 1.000 51.61627  ? 649 LEU A O    1 
ATOM   269  C CB   . LEU A 1 72  ? -4.83041  -25.30630 -30.66201 1.000 46.54032  ? 649 LEU A CB   1 
ATOM   270  C CG   . LEU A 1 72  ? -5.17520  -25.05837 -29.17973 1.000 47.47025  ? 649 LEU A CG   1 
ATOM   271  C CD1  . LEU A 1 72  ? -6.29074  -24.06884 -29.03803 1.000 41.29933  ? 649 LEU A CD1  1 
ATOM   272  C CD2  . LEU A 1 72  ? -5.54235  -26.36148 -28.52887 1.000 42.48413  ? 649 LEU A CD2  1 
ATOM   273  N N    . ILE A 1 73  ? -3.40072  -22.14357 -30.53140 1.000 48.73442  ? 650 ILE A N    1 
ATOM   274  C CA   . ILE A 1 73  ? -2.34206  -21.44699 -29.81611 1.000 48.47231  ? 650 ILE A CA   1 
ATOM   275  C C    . ILE A 1 73  ? -2.73760  -21.42952 -28.35183 1.000 49.26857  ? 650 ILE A C    1 
ATOM   276  O O    . ILE A 1 73  ? -3.88974  -21.13630 -28.01768 1.000 49.18419  ? 650 ILE A O    1 
ATOM   277  C CB   . ILE A 1 73  ? -2.11991  -20.02093 -30.35174 1.000 46.23836  ? 650 ILE A CB   1 
ATOM   278  C CG1  . ILE A 1 73  ? -1.81127  -20.05157 -31.84615 1.000 44.53199  ? 650 ILE A CG1  1 
ATOM   279  C CG2  . ILE A 1 73  ? -0.97748  -19.35211 -29.62426 1.000 44.64864  ? 650 ILE A CG2  1 
ATOM   280  C CD1  . ILE A 1 73  ? -1.82939  -18.69308 -32.50718 1.000 39.37784  ? 650 ILE A CD1  1 
ATOM   281  N N    . VAL A 1 74  ? -1.79657  -21.78038 -27.48235 1.000 53.00228  ? 651 VAL A N    1 
ATOM   282  C CA   . VAL A 1 74  ? -2.01772  -21.80751 -26.04633 1.000 47.18793  ? 651 VAL A CA   1 
ATOM   283  C C    . VAL A 1 74  ? -1.13384  -20.74165 -25.42285 1.000 47.58510  ? 651 VAL A C    1 
ATOM   284  O O    . VAL A 1 74  ? 0.04530   -20.62792 -25.77598 1.000 50.31310  ? 651 VAL A O    1 
ATOM   285  C CB   . VAL A 1 74  ? -1.70872  -23.19073 -25.46258 1.000 46.74524  ? 651 VAL A CB   1 
ATOM   286  C CG1  . VAL A 1 74  ? -1.93481  -23.19468 -23.97959 1.000 48.06732  ? 651 VAL A CG1  1 
ATOM   287  C CG2  . VAL A 1 74  ? -2.57131  -24.22224 -26.13698 1.000 48.55656  ? 651 VAL A CG2  1 
ATOM   288  N N    . GLY A 1 75  ? -1.71323  -19.94434 -24.53616 1.000 51.03658  ? 652 GLY A N    1 
ATOM   289  C CA   . GLY A 1 75  ? -0.97077  -18.97114 -23.75771 1.000 46.94985  ? 652 GLY A CA   1 
ATOM   290  C C    . GLY A 1 75  ? -0.81799  -19.47802 -22.33721 1.000 50.69865  ? 652 GLY A C    1 
ATOM   291  O O    . GLY A 1 75  ? -1.77804  -19.93486 -21.71880 1.000 49.61492  ? 652 GLY A O    1 
ATOM   292  N N    . VAL A 1 76  ? 0.40333   -19.39743 -21.83567 1.000 54.81670  ? 653 VAL A N    1 
ATOM   293  C CA   . VAL A 1 76  ? 0.76080   -19.90290 -20.52152 1.000 53.94350  ? 653 VAL A CA   1 
ATOM   294  C C    . VAL A 1 76  ? 1.08578   -18.70087 -19.64574 1.000 56.31663  ? 653 VAL A C    1 
ATOM   295  O O    . VAL A 1 76  ? 2.04164   -17.96336 -19.92625 1.000 53.46207  ? 653 VAL A O    1 
ATOM   296  C CB   . VAL A 1 76  ? 1.94207   -20.87493 -20.61665 1.000 52.13453  ? 653 VAL A CB   1 
ATOM   297  C CG1  . VAL A 1 76  ? 2.06564   -21.66208 -19.36153 1.000 50.27417  ? 653 VAL A CG1  1 
ATOM   298  C CG2  . VAL A 1 76  ? 1.73521   -21.79743 -21.77850 1.000 49.62039  ? 653 VAL A CG2  1 
ATOM   299  N N    . THR A 1 77  ? 0.27843   -18.48693 -18.60049 1.000 57.88052  ? 654 THR A N    1 
ATOM   300  C CA   . THR A 1 77  ? 0.38705   -17.26737 -17.81437 1.000 54.39228  ? 654 THR A CA   1 
ATOM   301  C C    . THR A 1 77  ? 1.69502   -17.23496 -17.03563 1.000 56.64299  ? 654 THR A C    1 
ATOM   302  O O    . THR A 1 77  ? 2.26724   -18.26816 -16.69099 1.000 56.65161  ? 654 THR A O    1 
ATOM   303  C CB   . THR A 1 77  ? -0.78548  -17.14192 -16.85430 1.000 56.39544  ? 654 THR A CB   1 
ATOM   304  O OG1  . THR A 1 77  ? -0.98968  -18.38909 -16.19180 1.000 58.33852  ? 654 THR A OG1  1 
ATOM   305  C CG2  . THR A 1 77  ? -2.03961  -16.77515 -17.60355 1.000 61.81564  ? 654 THR A CG2  1 
ATOM   306  N N    . SER A 1 78  ? 2.15238   -16.02815 -16.73256 1.000 59.63151  ? 655 SER A N    1 
ATOM   307  C CA   . SER A 1 78  ? 3.45234   -15.86932 -16.10508 1.000 64.86447  ? 655 SER A CA   1 
ATOM   308  C C    . SER A 1 78  ? 3.36281   -16.12116 -14.60538 1.000 63.62864  ? 655 SER A C    1 
ATOM   309  O O    . SER A 1 78  ? 2.29932   -16.02666 -13.99634 1.000 64.93894  ? 655 SER A O    1 
ATOM   310  C CB   . SER A 1 78  ? 4.00753   -14.47084 -16.36334 1.000 63.30304  ? 655 SER A CB   1 
ATOM   311  O OG   . SER A 1 78  ? 3.50577   -13.55648 -15.41144 1.000 67.61358  ? 655 SER A OG   1 
ATOM   312  N N    . ASP A 1 79  ? 4.50987   -16.43623 -14.00752 1.000 70.80132  ? 656 ASP A N    1 
ATOM   313  C CA   . ASP A 1 79  ? 4.54225   -16.73565 -12.57760 1.000 72.57379  ? 656 ASP A CA   1 
ATOM   314  C C    . ASP A 1 79  ? 4.01228   -15.57327 -11.75277 1.000 71.83115  ? 656 ASP A C    1 
ATOM   315  O O    . ASP A 1 79  ? 3.04504   -15.71910 -10.99803 1.000 73.08555  ? 656 ASP A O    1 
ATOM   316  C CB   . ASP A 1 79  ? 5.96332   -17.09021 -12.14420 1.000 71.84013  ? 656 ASP A CB   1 
ATOM   317  C CG   . ASP A 1 79  ? 6.31807   -18.51225 -12.48455 1.000 73.66703  ? 656 ASP A CG   1 
ATOM   318  O OD1  . ASP A 1 79  ? 5.60287   -19.42010 -12.00267 1.000 72.68669  ? 656 ASP A OD1  1 
ATOM   319  O OD2  . ASP A 1 79  ? 7.27762   -18.72428 -13.26322 1.000 75.57935  ? 656 ASP A OD2  1 
ATOM   320  N N    . ASN A 1 80  ? 4.64114   -14.40560 -11.87734 1.000 65.19356  ? 657 ASN A N    1 
ATOM   321  C CA   . ASN A 1 80  ? 4.28615   -13.30769 -10.99387 1.000 68.04770  ? 657 ASN A CA   1 
ATOM   322  C C    . ASN A 1 80  ? 2.82628   -12.90006 -11.17465 1.000 72.45558  ? 657 ASN A C    1 
ATOM   323  O O    . ASN A 1 80  ? 2.13422   -12.59215 -10.19437 1.000 75.63755  ? 657 ASN A O    1 
ATOM   324  C CB   . ASN A 1 80  ? 5.22793   -12.12144 -11.22100 1.000 71.08142  ? 657 ASN A CB   1 
ATOM   325  C CG   . ASN A 1 80  ? 5.05383   -11.49137 -12.59295 1.000 76.21858  ? 657 ASN A CG   1 
ATOM   326  O OD1  . ASN A 1 80  ? 5.11702   -12.18108 -13.61638 1.000 75.60688  ? 657 ASN A OD1  1 
ATOM   327  N ND2  . ASN A 1 80  ? 4.81201   -10.17352 -12.62156 1.000 72.07550  ? 657 ASN A ND2  1 
ATOM   328  N N    . GLU A 1 81  ? 2.33092   -12.89840 -12.41494 1.000 71.19320  ? 658 GLU A N    1 
ATOM   329  C CA   . GLU A 1 81  ? 0.95541   -12.46350 -12.63196 1.000 68.50073  ? 658 GLU A CA   1 
ATOM   330  C C    . GLU A 1 81  ? -0.03673  -13.48661 -12.09229 1.000 69.84185  ? 658 GLU A C    1 
ATOM   331  O O    . GLU A 1 81  ? -1.06868  -13.11303 -11.52704 1.000 71.85585  ? 658 GLU A O    1 
ATOM   332  C CB   . GLU A 1 81  ? 0.71494   -12.18517 -14.11661 1.000 67.29898  ? 658 GLU A CB   1 
ATOM   333  C CG   . GLU A 1 81  ? 1.11887   -10.77513 -14.54934 1.000 66.83594  ? 658 GLU A CG   1 
ATOM   334  C CD   . GLU A 1 81  ? 1.17826   -10.61415 -16.06464 1.000 68.33104  ? 658 GLU A CD   1 
ATOM   335  O OE1  . GLU A 1 81  ? 1.48901   -11.60360 -16.75979 1.000 65.94358  ? 658 GLU A OE1  1 
ATOM   336  O OE2  . GLU A 1 81  ? 0.92753   -9.49667  -16.56189 1.000 67.91174  ? 658 GLU A OE2  1 
ATOM   337  N N    . THR A 1 82  ? 0.25864   -14.77989 -12.23597 1.000 69.11889  ? 659 THR A N    1 
ATOM   338  C CA   . THR A 1 82  ? -0.61911  -15.79096 -11.66240 1.000 67.73874  ? 659 THR A CA   1 
ATOM   339  C C    . THR A 1 82  ? -0.68336  -15.65091 -10.14872 1.000 76.58955  ? 659 THR A C    1 
ATOM   340  O O    . THR A 1 82  ? -1.76116  -15.47232 -9.57213  1.000 80.30820  ? 659 THR A O    1 
ATOM   341  C CB   . THR A 1 82  ? -0.15356  -17.18808 -12.05468 1.000 69.06190  ? 659 THR A CB   1 
ATOM   342  O OG1  . THR A 1 82  ? -0.31070  -17.36964 -13.46946 1.000 67.76028  ? 659 THR A OG1  1 
ATOM   343  C CG2  . THR A 1 82  ? -0.97941  -18.22804 -11.33439 1.000 68.96565  ? 659 THR A CG2  1 
ATOM   344  N N    . LYS A 1 83  ? 0.47149   -15.71025 -9.48329  1.000 79.05924  ? 660 LYS A N    1 
ATOM   345  C CA   . LYS A 1 83  ? 0.49869   -15.50551 -8.03763  1.000 78.93150  ? 660 LYS A CA   1 
ATOM   346  C C    . LYS A 1 83  ? -0.21058  -14.21877 -7.63994  1.000 81.56857  ? 660 LYS A C    1 
ATOM   347  O O    . LYS A 1 83  ? -0.85364  -14.15005 -6.58254  1.000 86.21685  ? 660 LYS A O    1 
ATOM   348  C CB   . LYS A 1 83  ? 1.94358   -15.48281 -7.53654  1.000 75.77977  ? 660 LYS A CB   1 
ATOM   349  N N    . LEU A 1 84  ? -0.09906  -13.17864 -8.46435  1.000 78.49646  ? 661 LEU A N    1 
ATOM   350  C CA   . LEU A 1 84  ? -0.58330  -11.87287 -8.02619  1.000 77.58528  ? 661 LEU A CA   1 
ATOM   351  C C    . LEU A 1 84  ? -2.09885  -11.77674 -8.14038  1.000 75.38988  ? 661 LEU A C    1 
ATOM   352  O O    . LEU A 1 84  ? -2.76691  -11.28587 -7.22773  1.000 76.18850  ? 661 LEU A O    1 
ATOM   353  C CB   . LEU A 1 84  ? 0.08891   -10.77232 -8.84116  1.000 74.79165  ? 661 LEU A CB   1 
ATOM   354  C CG   . LEU A 1 84  ? 0.22784   -9.38727  -8.21890  1.000 83.60284  ? 661 LEU A CG   1 
ATOM   355  C CD1  . LEU A 1 84  ? 0.98670   -8.51840  -9.20349  1.000 88.37303  ? 661 LEU A CD1  1 
ATOM   356  C CD2  . LEU A 1 84  ? -1.11809  -8.76282  -7.86695  1.000 82.86716  ? 661 LEU A CD2  1 
ATOM   357  N N    . PHE A 1 85  ? -2.65777  -12.24716 -9.25525  1.000 76.74902  ? 662 PHE A N    1 
ATOM   358  C CA   . PHE A 1 85  ? -4.09081  -12.12839 -9.49765  1.000 78.05596  ? 662 PHE A CA   1 
ATOM   359  C C    . PHE A 1 85  ? -4.86473  -13.36348 -9.05403  1.000 78.77036  ? 662 PHE A C    1 
ATOM   360  O O    . PHE A 1 85  ? -5.90611  -13.23274 -8.40133  1.000 85.25057  ? 662 PHE A O    1 
ATOM   361  C CB   . PHE A 1 85  ? -4.34654  -11.84396 -10.97850 1.000 72.55303  ? 662 PHE A CB   1 
ATOM   362  C CG   . PHE A 1 85  ? -3.68937  -10.59271 -11.46298 1.000 70.78173  ? 662 PHE A CG   1 
ATOM   363  C CD1  . PHE A 1 85  ? -3.57218  -9.49503  -10.63810 1.000 74.40935  ? 662 PHE A CD1  1 
ATOM   364  C CD2  . PHE A 1 85  ? -3.16864  -10.51738 -12.72939 1.000 72.25090  ? 662 PHE A CD2  1 
ATOM   365  C CE1  . PHE A 1 85  ? -2.94611  -8.33849  -11.07808 1.000 74.62951  ? 662 PHE A CE1  1 
ATOM   366  C CE2  . PHE A 1 85  ? -2.54164  -9.36335  -13.17263 1.000 69.74590  ? 662 PHE A CE2  1 
ATOM   367  C CZ   . PHE A 1 85  ? -2.43409  -8.27895  -12.35084 1.000 72.38184  ? 662 PHE A CZ   1 
ATOM   368  N N    . LYS A 1 86  ? -4.36657  -14.55708 -9.36794  1.000 76.33056  ? 663 LYS A N    1 
ATOM   369  C CA   . LYS A 1 86  ? -5.02375  -15.79373 -8.96638  1.000 76.35934  ? 663 LYS A CA   1 
ATOM   370  C C    . LYS A 1 86  ? -4.61666  -16.21682 -7.56267  1.000 78.67470  ? 663 LYS A C    1 
ATOM   371  O O    . LYS A 1 86  ? -5.31026  -15.93248 -6.57975  1.000 89.17046  ? 663 LYS A O    1 
ATOM   372  C CB   . LYS A 1 86  ? -4.68955  -16.91261 -9.95492  1.000 79.69147  ? 663 LYS A CB   1 
ATOM   373  C CG   . LYS A 1 86  ? -5.15987  -18.28876 -9.51509  1.000 80.75431  ? 663 LYS A CG   1 
ATOM   374  C CD   . LYS A 1 86  ? -4.34607  -19.39398 -10.17359 1.000 78.68929  ? 663 LYS A CD   1 
ATOM   375  C CE   . LYS A 1 86  ? -3.56991  -20.21100 -9.13865  1.000 82.80525  ? 663 LYS A CE   1 
ATOM   376  N NZ   . LYS A 1 86  ? -2.67558  -21.24576 -9.76632  1.000 81.86398  ? 663 LYS A NZ   1 
ATOM   377  N N    . GLY A 1 87  ? -3.48137  -16.89161 -7.47077  1.000 82.07295  ? 664 GLY A N    1 
ATOM   378  C CA   . GLY A 1 87  ? -3.04414  -17.48540 -6.22820  1.000 86.31412  ? 664 GLY A CA   1 
ATOM   379  C C    . GLY A 1 87  ? -1.79394  -18.30500 -6.47595  1.000 90.93507  ? 664 GLY A C    1 
ATOM   380  O O    . GLY A 1 87  ? -1.18347  -18.23219 -7.54491  1.000 87.83637  ? 664 GLY A O    1 
ATOM   381  N N    . GLN A 1 88  ? -1.42974  -19.09104 -5.47059  1.000 104.60593 ? 665 GLN A N    1 
ATOM   382  C CA   . GLN A 1 88  ? -0.20157  -19.86877 -5.54866  1.000 103.60388 ? 665 GLN A CA   1 
ATOM   383  C C    . GLN A 1 88  ? -0.14994  -20.66884 -6.84350  1.000 99.41263  ? 665 GLN A C    1 
ATOM   384  O O    . GLN A 1 88  ? -1.17415  -21.14375 -7.34050  1.000 98.65739  ? 665 GLN A O    1 
ATOM   385  C CB   . GLN A 1 88  ? -0.10570  -20.80784 -4.34918  1.000 111.75863 ? 665 GLN A CB   1 
ATOM   386  C CG   . GLN A 1 88  ? 0.01324   -20.11623 -2.99594  1.000 118.60092 ? 665 GLN A CG   1 
ATOM   387  C CD   . GLN A 1 88  ? 1.39395   -19.53987 -2.77460  1.000 120.87125 ? 665 GLN A CD   1 
ATOM   388  O OE1  . GLN A 1 88  ? 2.14032   -19.29441 -3.73269  1.000 118.53352 ? 665 GLN A OE1  1 
ATOM   389  N NE2  . GLN A 1 88  ? 1.75300   -19.33714 -1.50952  1.000 120.81446 ? 665 GLN A NE2  1 
ATOM   390  N N    . VAL A 1 89  ? 1.05175   -20.80307 -7.39661  1.000 86.69872  ? 666 VAL A N    1 
ATOM   391  C CA   . VAL A 1 89  ? 1.30915   -21.68414 -8.52855  1.000 77.45322  ? 666 VAL A CA   1 
ATOM   392  C C    . VAL A 1 89  ? 2.37366   -22.68213 -8.10551  1.000 69.39001  ? 666 VAL A C    1 
ATOM   393  O O    . VAL A 1 89  ? 3.30043   -22.33435 -7.37183  1.000 72.77947  ? 666 VAL A O    1 
ATOM   394  C CB   . VAL A 1 89  ? 1.74966   -20.90131 -9.78066  1.000 71.03638  ? 666 VAL A CB   1 
ATOM   395  C CG1  . VAL A 1 89  ? 3.11075   -20.29096 -9.55941  1.000 74.11038  ? 666 VAL A CG1  1 
ATOM   396  C CG2  . VAL A 1 89  ? 1.74974   -21.79302 -10.96875 1.000 63.55743  ? 666 VAL A CG2  1 
ATOM   397  N N    . VAL A 1 90  ? 2.23141   -23.92403 -8.54399  1.000 66.24195  ? 667 VAL A N    1 
ATOM   398  C CA   . VAL A 1 90  ? 3.12091   -24.97910 -8.07968  1.000 61.88753  ? 667 VAL A CA   1 
ATOM   399  C C    . VAL A 1 90  ? 4.33615   -25.10479 -8.97297  1.000 63.61525  ? 667 VAL A C    1 
ATOM   400  O O    . VAL A 1 90  ? 5.45574   -25.24801 -8.48299  1.000 64.31055  ? 667 VAL A O    1 
ATOM   401  C CB   . VAL A 1 90  ? 2.36585   -26.31932 -7.98461  1.000 65.82532  ? 667 VAL A CB   1 
ATOM   402  C CG1  . VAL A 1 90  ? 3.31961   -27.41970 -7.59120  1.000 59.43001  ? 667 VAL A CG1  1 
ATOM   403  C CG2  . VAL A 1 90  ? 1.25247   -26.21227 -6.98744  1.000 73.27174  ? 667 VAL A CG2  1 
ATOM   404  N N    . GLN A 1 91  ? 4.15109   -25.06813 -10.28538 1.000 58.94940  ? 668 GLN A N    1 
ATOM   405  C CA   . GLN A 1 91  ? 5.27202   -25.19257 -11.20486 1.000 57.16536  ? 668 GLN A CA   1 
ATOM   406  C C    . GLN A 1 91  ? 5.63326   -23.85200 -11.82234 1.000 57.18691  ? 668 GLN A C    1 
ATOM   407  O O    . GLN A 1 91  ? 4.80492   -22.94823 -11.93350 1.000 59.74714  ? 668 GLN A O    1 
ATOM   408  C CB   . GLN A 1 91  ? 4.95662   -26.18014 -12.32009 1.000 57.00015  ? 668 GLN A CB   1 
ATOM   409  C CG   . GLN A 1 91  ? 4.10019   -27.33421 -11.89746 1.000 60.45091  ? 668 GLN A CG   1 
ATOM   410  C CD   . GLN A 1 91  ? 3.77386   -28.26189 -13.04657 1.000 57.83395  ? 668 GLN A CD   1 
ATOM   411  O OE1  . GLN A 1 91  ? 2.67352   -28.23513 -13.58953 1.000 58.95046  ? 668 GLN A OE1  1 
ATOM   412  N NE2  . GLN A 1 91  ? 4.72759   -29.09216 -13.41817 1.000 55.77227  ? 668 GLN A NE2  1 
ATOM   413  N N    . THR A 1 92  ? 6.88500   -23.75546 -12.25744 1.000 57.61066  ? 669 THR A N    1 
ATOM   414  C CA   . THR A 1 92  ? 7.41198   -22.56895 -12.91075 1.000 58.80812  ? 669 THR A CA   1 
ATOM   415  C C    . THR A 1 92  ? 6.87361   -22.45038 -14.32728 1.000 54.87233  ? 669 THR A C    1 
ATOM   416  O O    . THR A 1 92  ? 6.34871   -23.40245 -14.89641 1.000 52.93168  ? 669 THR A O    1 
ATOM   417  C CB   . THR A 1 92  ? 8.92785   -22.63751 -12.96682 1.000 56.05433  ? 669 THR A CB   1 
ATOM   418  O OG1  . THR A 1 92  ? 9.29575   -23.67493 -13.87495 1.000 56.86477  ? 669 THR A OG1  1 
ATOM   419  C CG2  . THR A 1 92  ? 9.47155   -22.98909 -11.60110 1.000 55.32619  ? 669 THR A CG2  1 
ATOM   420  N N    . LEU A 1 93  ? 7.02755   -21.26284 -14.90791 1.000 55.42757  ? 670 LEU A N    1 
ATOM   421  C CA   . LEU A 1 93  ? 6.61408   -21.09706 -16.29316 1.000 56.53368  ? 670 LEU A CA   1 
ATOM   422  C C    . LEU A 1 93  ? 7.23798   -22.17607 -17.15737 1.000 55.72903  ? 670 LEU A C    1 
ATOM   423  O O    . LEU A 1 93  ? 6.55650   -22.80614 -17.97137 1.000 57.49603  ? 670 LEU A O    1 
ATOM   424  C CB   . LEU A 1 93  ? 6.98938   -19.70728 -16.81086 1.000 58.26324  ? 670 LEU A CB   1 
ATOM   425  C CG   . LEU A 1 93  ? 6.45738   -19.34601 -18.20608 1.000 54.31323  ? 670 LEU A CG   1 
ATOM   426  C CD1  . LEU A 1 93  ? 4.95437   -19.35052 -18.21116 1.000 54.57445  ? 670 LEU A CD1  1 
ATOM   427  C CD2  . LEU A 1 93  ? 6.94588   -18.00172 -18.63705 1.000 51.31937  ? 670 LEU A CD2  1 
ATOM   428  N N    . GLU A 1 94  ? 8.52844   -22.43258 -16.95740 1.000 55.73380  ? 671 GLU A N    1 
ATOM   429  C CA   . GLU A 1 94  ? 9.24316   -23.41210 -17.76498 1.000 52.49623  ? 671 GLU A CA   1 
ATOM   430  C C    . GLU A 1 94  ? 8.65369   -24.80575 -17.59039 1.000 50.41652  ? 671 GLU A C    1 
ATOM   431  O O    . GLU A 1 94  ? 8.40242   -25.50963 -18.56984 1.000 53.97246  ? 671 GLU A O    1 
ATOM   432  C CB   . GLU A 1 94  ? 10.72652  -23.39442 -17.39978 1.000 54.87531  ? 671 GLU A CB   1 
ATOM   433  C CG   . GLU A 1 94  ? 11.40466  -22.00001 -17.53712 1.000 69.21074  ? 671 GLU A CG   1 
ATOM   434  C CD   . GLU A 1 94  ? 10.76167  -20.85681 -16.67048 1.000 69.30148  ? 671 GLU A CD   1 
ATOM   435  O OE1  . GLU A 1 94  ? 10.28646  -21.11081 -15.53011 1.000 63.58172  ? 671 GLU A OE1  1 
ATOM   436  O OE2  . GLU A 1 94  ? 10.71599  -19.69347 -17.15268 1.000 71.71224  ? 671 GLU A OE2  1 
ATOM   437  N N    . GLU A 1 95  ? 8.39819   -25.21632 -16.35521 1.000 48.74576  ? 672 GLU A N    1 
ATOM   438  C CA   . GLU A 1 95  ? 7.81697   -26.53500 -16.13693 1.000 51.36279  ? 672 GLU A CA   1 
ATOM   439  C C    . GLU A 1 95  ? 6.42966   -26.65470 -16.76077 1.000 53.61019  ? 672 GLU A C    1 
ATOM   440  O O    . GLU A 1 95  ? 6.10864   -27.66108 -17.40104 1.000 52.02796  ? 672 GLU A O    1 
ATOM   441  C CB   . GLU A 1 95  ? 7.74317   -26.82681 -14.64716 1.000 55.35567  ? 672 GLU A CB   1 
ATOM   442  C CG   . GLU A 1 95  ? 9.06257   -26.77763 -13.94482 1.000 55.74109  ? 672 GLU A CG   1 
ATOM   443  C CD   . GLU A 1 95  ? 8.92286   -27.09020 -12.47375 1.000 65.04550  ? 672 GLU A CD   1 
ATOM   444  O OE1  . GLU A 1 95  ? 7.87595   -26.73046 -11.89559 1.000 67.20717  ? 672 GLU A OE1  1 
ATOM   445  O OE2  . GLU A 1 95  ? 9.84602   -27.69845 -11.89368 1.000 68.89282  ? 672 GLU A OE2  1 
ATOM   446  N N    . ARG A 1 96  ? 5.56957   -25.65874 -16.54418 1.000 55.39403  ? 673 ARG A N    1 
ATOM   447  C CA   . ARG A 1 96  ? 4.23300   -25.73205 -17.12137 1.000 52.03666  ? 673 ARG A CA   1 
ATOM   448  C C    . ARG A 1 96  ? 4.28726   -25.66588 -18.63683 1.000 54.94551  ? 673 ARG A C    1 
ATOM   449  O O    . ARG A 1 96  ? 3.40500   -26.21029 -19.30736 1.000 53.57806  ? 673 ARG A O    1 
ATOM   450  C CB   . ARG A 1 96  ? 3.34099   -24.60685 -16.60119 1.000 51.89043  ? 673 ARG A CB   1 
ATOM   451  C CG   . ARG A 1 96  ? 3.31745   -24.43907 -15.10437 1.000 54.38396  ? 673 ARG A CG   1 
ATOM   452  C CD   . ARG A 1 96  ? 2.44573   -23.23970 -14.70959 1.000 56.08052  ? 673 ARG A CD   1 
ATOM   453  N NE   . ARG A 1 96  ? 3.17693   -21.97725 -14.59803 1.000 55.62709  ? 673 ARG A NE   1 
ATOM   454  C CZ   . ARG A 1 96  ? 2.71910   -20.80779 -15.03495 1.000 58.14437  ? 673 ARG A CZ   1 
ATOM   455  N NH1  . ARG A 1 96  ? 1.60076   -20.72271 -15.73845 1.000 54.68308  ? 673 ARG A NH1  1 
ATOM   456  N NH2  . ARG A 1 96  ? 3.40243   -19.69665 -14.76803 1.000 57.23874  ? 673 ARG A NH2  1 
ATOM   457  N N    . THR A 1 97  ? 5.30351   -25.00325 -19.19770 1.000 51.76567  ? 674 THR A N    1 
ATOM   458  C CA   . THR A 1 97  ? 5.35472   -24.85355 -20.64563 1.000 52.14152  ? 674 THR A CA   1 
ATOM   459  C C    . THR A 1 97  ? 5.93173   -26.09197 -21.31408 1.000 52.53441  ? 674 THR A C    1 
ATOM   460  O O    . THR A 1 97  ? 5.47767   -26.48810 -22.38671 1.000 53.51594  ? 674 THR A O    1 
ATOM   461  C CB   . THR A 1 97  ? 6.16217   -23.61621 -21.02907 1.000 51.77091  ? 674 THR A CB   1 
ATOM   462  O OG1  . THR A 1 97  ? 5.49893   -22.45392 -20.52505 1.000 49.60368  ? 674 THR A OG1  1 
ATOM   463  C CG2  . THR A 1 97  ? 6.27462   -23.48799 -22.54412 1.000 43.87393  ? 674 THR A CG2  1 
ATOM   464  N N    . GLU A 1 98  ? 6.90508   -26.74032 -20.69324 1.000 52.01284  ? 675 GLU A N    1 
ATOM   465  C CA   . GLU A 1 98  ? 7.46287   -27.92872 -21.32108 1.000 54.19026  ? 675 GLU A CA   1 
ATOM   466  C C    . GLU A 1 98  ? 6.45588   -29.07296 -21.35139 1.000 52.53290  ? 675 GLU A C    1 
ATOM   467  O O    . GLU A 1 98  ? 6.54861   -29.97950 -22.18501 1.000 55.49868  ? 675 GLU A O    1 
ATOM   468  C CB   . GLU A 1 98  ? 8.74229   -28.36180 -20.60461 1.000 52.77245  ? 675 GLU A CB   1 
ATOM   469  C CG   . GLU A 1 98  ? 9.58938   -29.19200 -21.53030 1.000 59.68855  ? 675 GLU A CG   1 
ATOM   470  C CD   . GLU A 1 98  ? 10.70015  -29.90903 -20.85428 1.000 61.86068  ? 675 GLU A CD   1 
ATOM   471  O OE1  . GLU A 1 98  ? 11.40654  -29.28490 -20.04709 1.000 68.85473  ? 675 GLU A OE1  1 
ATOM   472  O OE2  . GLU A 1 98  ? 10.87435  -31.10346 -21.15414 1.000 71.12129  ? 675 GLU A OE2  1 
ATOM   473  N N    . THR A 1 99  ? 5.49014   -29.06698 -20.45468 1.000 55.39453  ? 676 THR A N    1 
ATOM   474  C CA   . THR A 1 99  ? 4.52259   -30.14999 -20.47229 1.000 54.51179  ? 676 THR A CA   1 
ATOM   475  C C    . THR A 1 99  ? 3.54104   -29.98435 -21.63188 1.000 53.86099  ? 676 THR A C    1 
ATOM   476  O O    . THR A 1 99  ? 3.37598   -30.89320 -22.45130 1.000 54.77861  ? 676 THR A O    1 
ATOM   477  C CB   . THR A 1 99  ? 3.82851   -30.21135 -19.12145 1.000 53.28074  ? 676 THR A CB   1 
ATOM   478  O OG1  . THR A 1 99  ? 4.83373   -30.38177 -18.10977 1.000 52.13903  ? 676 THR A OG1  1 
ATOM   479  C CG2  . THR A 1 99  ? 2.86755   -31.37251 -19.07869 1.000 52.06169  ? 676 THR A CG2  1 
ATOM   480  N N    . LEU A 1 100 ? 2.91343   -28.81377 -21.74585 1.000 52.52687  ? 677 LEU A N    1 
ATOM   481  C CA   . LEU A 1 100 ? 2.03733   -28.52367 -22.87413 1.000 52.94988  ? 677 LEU A CA   1 
ATOM   482  C C    . LEU A 1 100 ? 2.61194   -28.99474 -24.19868 1.000 51.20846  ? 677 LEU A C    1 
ATOM   483  O O    . LEU A 1 100 ? 1.87251   -29.47433 -25.05875 1.000 53.48333  ? 677 LEU A O    1 
ATOM   484  C CB   . LEU A 1 100 ? 1.76941   -27.03482 -22.95762 1.000 54.31738  ? 677 LEU A CB   1 
ATOM   485  C CG   . LEU A 1 100 ? 0.74528   -26.58006 -21.95873 1.000 50.00923  ? 677 LEU A CG   1 
ATOM   486  C CD1  . LEU A 1 100 ? 0.84314   -25.07230 -21.86557 1.000 53.22706  ? 677 LEU A CD1  1 
ATOM   487  C CD2  . LEU A 1 100 ? -0.61882  -27.02045 -22.45246 1.000 50.23246  ? 677 LEU A CD2  1 
ATOM   488  N N    . LYS A 1 101 ? 3.92631   -28.86225 -24.36284 1.000 55.01224  ? 678 LYS A N    1 
ATOM   489  C CA   . LYS A 1 101 ? 4.57936   -29.22096 -25.61899 1.000 55.93784  ? 678 LYS A CA   1 
ATOM   490  C C    . LYS A 1 101 ? 4.31568   -30.67776 -26.02114 1.000 56.96025  ? 678 LYS A C    1 
ATOM   491  O O    . LYS A 1 101 ? 4.40377   -31.01553 -27.20736 1.000 58.81049  ? 678 LYS A O    1 
ATOM   492  C CB   . LYS A 1 101 ? 6.08546   -28.92359 -25.49712 1.000 55.31474  ? 678 LYS A CB   1 
ATOM   493  C CG   . LYS A 1 101 ? 7.02472   -29.66135 -26.44890 1.000 59.71609  ? 678 LYS A CG   1 
ATOM   494  C CD   . LYS A 1 101 ? 7.05076   -29.01247 -27.84010 1.000 70.49552  ? 678 LYS A CD   1 
ATOM   495  C CE   . LYS A 1 101 ? 7.67834   -29.93548 -28.91534 1.000 71.31675  ? 678 LYS A CE   1 
ATOM   496  N NZ   . LYS A 1 101 ? 8.66546   -29.26392 -29.84348 1.000 67.32412  ? 678 LYS A NZ   1 
ATOM   497  N N    . HIS A 1 102 ? 3.95977   -31.54726 -25.07419 1.000 52.05126  ? 679 HIS A N    1 
ATOM   498  C CA   . HIS A 1 102 ? 3.71293   -32.94750 -25.39052 1.000 51.59420  ? 679 HIS A CA   1 
ATOM   499  C C    . HIS A 1 102 ? 2.25235   -33.26819 -25.67016 1.000 51.17364  ? 679 HIS A C    1 
ATOM   500  O O    . HIS A 1 102 ? 1.93442   -34.42937 -25.95990 1.000 53.11091  ? 679 HIS A O    1 
ATOM   501  C CB   . HIS A 1 102 ? 4.20663   -33.82788 -24.25568 1.000 51.40247  ? 679 HIS A CB   1 
ATOM   502  C CG   . HIS A 1 102 ? 5.68063   -33.78851 -24.08667 1.000 51.50542  ? 679 HIS A CG   1 
ATOM   503  N ND1  . HIS A 1 102 ? 6.33625   -32.68296 -23.59601 1.000 52.17913  ? 679 HIS A ND1  1 
ATOM   504  C CD2  . HIS A 1 102 ? 6.63624   -34.69629 -24.38966 1.000 50.65922  ? 679 HIS A CD2  1 
ATOM   505  C CE1  . HIS A 1 102 ? 7.63399   -32.92020 -23.58197 1.000 55.53710  ? 679 HIS A CE1  1 
ATOM   506  N NE2  . HIS A 1 102 ? 7.84262   -34.13382 -24.06118 1.000 52.40351  ? 679 HIS A NE2  1 
ATOM   507  N N    . ILE A 1 103 ? 1.36035   -32.28696 -25.57985 1.000 50.24826  ? 680 ILE A N    1 
ATOM   508  C CA   . ILE A 1 103 ? -0.06556  -32.53321 -25.76803 1.000 49.57420  ? 680 ILE A CA   1 
ATOM   509  C C    . ILE A 1 103 ? -0.38883  -32.52246 -27.25204 1.000 50.73586  ? 680 ILE A C    1 
ATOM   510  O O    . ILE A 1 103 ? -0.02538  -31.59138 -27.98075 1.000 48.02913  ? 680 ILE A O    1 
ATOM   511  C CB   . ILE A 1 103 ? -0.90818  -31.49011 -25.02523 1.000 53.06597  ? 680 ILE A CB   1 
ATOM   512  C CG1  . ILE A 1 103 ? -0.66279  -31.56883 -23.51192 1.000 49.76691  ? 680 ILE A CG1  1 
ATOM   513  C CG2  . ILE A 1 103 ? -2.36507  -31.66550 -25.36574 1.000 48.08698  ? 680 ILE A CG2  1 
ATOM   514  C CD1  . ILE A 1 103 ? -0.68257  -32.97855 -22.95492 1.000 47.75896  ? 680 ILE A CD1  1 
ATOM   515  N N    . ARG A 1 104 ? -1.10042  -33.55882 -27.68904 1.000 52.43618  ? 681 ARG A N    1 
ATOM   516  C CA   . ARG A 1 104 ? -1.46961  -33.72341 -29.08884 1.000 48.54636  ? 681 ARG A CA   1 
ATOM   517  C C    . ARG A 1 104 ? -2.12481  -32.46639 -29.66039 1.000 50.16107  ? 681 ARG A C    1 
ATOM   518  O O    . ARG A 1 104 ? -1.80764  -32.04222 -30.77312 1.000 52.64936  ? 681 ARG A O    1 
ATOM   519  C CB   . ARG A 1 104 ? -2.40057  -34.93592 -29.20363 1.000 49.56232  ? 681 ARG A CB   1 
ATOM   520  C CG   . ARG A 1 104 ? -2.89651  -35.26890 -30.58855 1.000 51.37323  ? 681 ARG A CG   1 
ATOM   521  C CD   . ARG A 1 104 ? -3.91602  -36.40369 -30.56076 1.000 52.62554  ? 681 ARG A CD   1 
ATOM   522  N NE   . ARG A 1 104 ? -3.42127  -37.59369 -29.87841 1.000 58.11435  ? 681 ARG A NE   1 
ATOM   523  C CZ   . ARG A 1 104 ? -2.50748  -38.42591 -30.36907 1.000 59.06981  ? 681 ARG A CZ   1 
ATOM   524  N NH1  . ARG A 1 104 ? -1.89185  -38.18066 -31.51381 1.000 62.19429  ? 681 ARG A NH1  1 
ATOM   525  N NH2  . ARG A 1 104 ? -2.19754  -39.53003 -29.69022 1.000 53.29844  ? 681 ARG A NH2  1 
ATOM   526  N N    . TRP A 1 105 ? -3.03043  -31.84372 -28.91629 1.000 46.33141  ? 682 TRP A N    1 
ATOM   527  C CA   . TRP A 1 105 ? -3.86094  -30.81576 -29.52883 1.000 47.72840  ? 682 TRP A CA   1 
ATOM   528  C C    . TRP A 1 105 ? -3.17736  -29.47817 -29.67937 1.000 48.76314  ? 682 TRP A C    1 
ATOM   529  O O    . TRP A 1 105 ? -3.79371  -28.57719 -30.24744 1.000 48.90204  ? 682 TRP A O    1 
ATOM   530  C CB   . TRP A 1 105 ? -5.14239  -30.60679 -28.72393 1.000 46.22113  ? 682 TRP A CB   1 
ATOM   531  C CG   . TRP A 1 105 ? -5.61543  -31.86287 -28.20859 1.000 46.47213  ? 682 TRP A CG   1 
ATOM   532  C CD1  . TRP A 1 105 ? -5.54276  -32.28141 -26.93274 1.000 44.67290  ? 682 TRP A CD1  1 
ATOM   533  C CD2  . TRP A 1 105 ? -6.17717  -32.94578 -28.96902 1.000 48.97316  ? 682 TRP A CD2  1 
ATOM   534  N NE1  . TRP A 1 105 ? -6.05011  -33.55569 -26.82782 1.000 47.23007  ? 682 TRP A NE1  1 
ATOM   535  C CE2  . TRP A 1 105 ? -6.44454  -33.98630 -28.06758 1.000 47.72008  ? 682 TRP A CE2  1 
ATOM   536  C CE3  . TRP A 1 105 ? -6.48378  -33.13042 -30.32616 1.000 49.73185  ? 682 TRP A CE3  1 
ATOM   537  C CZ2  . TRP A 1 105 ? -7.01150  -35.19559 -28.46805 1.000 49.08070  ? 682 TRP A CZ2  1 
ATOM   538  C CZ3  . TRP A 1 105 ? -7.03746  -34.34621 -30.72739 1.000 48.62024  ? 682 TRP A CZ3  1 
ATOM   539  C CH2  . TRP A 1 105 ? -7.29730  -35.35662 -29.80088 1.000 52.17146  ? 682 TRP A CH2  1 
ATOM   540  N N    . VAL A 1 106 ? -1.95366  -29.30911 -29.18803 1.000 50.94062  ? 683 VAL A N    1 
ATOM   541  C CA   . VAL A 1 106 ? -1.36130  -27.98765 -29.00890 1.000 47.06257  ? 683 VAL A CA   1 
ATOM   542  C C    . VAL A 1 106 ? -0.46856  -27.67511 -30.20125 1.000 51.53119  ? 683 VAL A C    1 
ATOM   543  O O    . VAL A 1 106 ? 0.53089   -28.36305 -30.42696 1.000 53.49114  ? 683 VAL A O    1 
ATOM   544  C CB   . VAL A 1 106 ? -0.57768  -27.91454 -27.69478 1.000 50.45896  ? 683 VAL A CB   1 
ATOM   545  C CG1  . VAL A 1 106 ? 0.31857   -26.69413 -27.69220 1.000 50.40875  ? 683 VAL A CG1  1 
ATOM   546  C CG2  . VAL A 1 106 ? -1.54073  -27.88951 -26.51654 1.000 44.58891  ? 683 VAL A CG2  1 
ATOM   547  N N    . ASP A 1 107 ? -0.81145  -26.63162 -30.96335 1.000 49.56882  ? 684 ASP A N    1 
ATOM   548  C CA   . ASP A 1 107 ? -0.07651  -26.34120 -32.18911 1.000 50.85770  ? 684 ASP A CA   1 
ATOM   549  C C    . ASP A 1 107 ? 1.05637   -25.35207 -31.94718 1.000 51.81365  ? 684 ASP A C    1 
ATOM   550  O O    . ASP A 1 107 ? 2.17048   -25.53872 -32.43406 1.000 50.33924  ? 684 ASP A O    1 
ATOM   551  C CB   . ASP A 1 107 ? -1.03050  -25.81631 -33.26346 1.000 49.80770  ? 684 ASP A CB   1 
ATOM   552  C CG   . ASP A 1 107 ? -2.01640  -26.87935 -33.72424 1.000 50.33159  ? 684 ASP A CG   1 
ATOM   553  O OD1  . ASP A 1 107 ? -1.58316  -27.98584 -34.09627 1.000 52.03469  ? 684 ASP A OD1  1 
ATOM   554  O OD2  . ASP A 1 107 ? -3.23773  -26.62825 -33.68212 1.000 55.28422  ? 684 ASP A OD2  1 
ATOM   555  N N    . GLU A 1 108 ? 0.79421   -24.31114 -31.18104 1.000 51.67757  ? 685 GLU A N    1 
ATOM   556  C CA   . GLU A 1 108 ? 1.77846   -23.29083 -30.89273 1.000 47.59923  ? 685 GLU A CA   1 
ATOM   557  C C    . GLU A 1 108 ? 1.58369   -22.87970 -29.45483 1.000 47.24412  ? 685 GLU A C    1 
ATOM   558  O O    . GLU A 1 108 ? 0.47841   -22.98418 -28.91439 1.000 50.47480  ? 685 GLU A O    1 
ATOM   559  C CB   . GLU A 1 108 ? 1.61276   -22.07568 -31.80077 1.000 50.17657  ? 685 GLU A CB   1 
ATOM   560  C CG   . GLU A 1 108 ? 1.43434   -22.44856 -33.24525 1.000 51.64694  ? 685 GLU A CG   1 
ATOM   561  C CD   . GLU A 1 108 ? 1.47805   -21.25653 -34.16510 1.000 57.53930  ? 685 GLU A CD   1 
ATOM   562  O OE1  . GLU A 1 108 ? 1.48083   -20.11133 -33.66704 1.000 64.36160  ? 685 GLU A OE1  1 
ATOM   563  O OE2  . GLU A 1 108 ? 1.51908   -21.46024 -35.39124 1.000 61.30513  ? 685 GLU A OE2  1 
ATOM   564  N N    . ILE A 1 109 ? 2.64912   -22.40308 -28.83678 1.000 48.91444  ? 686 ILE A N    1 
ATOM   565  C CA   . ILE A 1 109 ? 2.56127   -21.91253 -27.47248 1.000 46.56553  ? 686 ILE A CA   1 
ATOM   566  C C    . ILE A 1 109 ? 3.06901   -20.48640 -27.43262 1.000 49.86514  ? 686 ILE A C    1 
ATOM   567  O O    . ILE A 1 109 ? 4.06695   -20.15039 -28.07713 1.000 51.06645  ? 686 ILE A O    1 
ATOM   568  C CB   . ILE A 1 109 ? 3.33421   -22.79828 -26.48350 1.000 45.27873  ? 686 ILE A CB   1 
ATOM   569  C CG1  . ILE A 1 109 ? 2.77454   -24.21104 -26.52172 1.000 48.61851  ? 686 ILE A CG1  1 
ATOM   570  C CG2  . ILE A 1 109 ? 3.18785   -22.25855 -25.10675 1.000 50.93823  ? 686 ILE A CG2  1 
ATOM   571  C CD1  . ILE A 1 109 ? 3.27054   -25.08344 -25.44849 1.000 47.89619  ? 686 ILE A CD1  1 
ATOM   572  N N    . ILE A 1 110 ? 2.36493   -19.64567 -26.69342 1.000 49.28903  ? 687 ILE A N    1 
ATOM   573  C CA   . ILE A 1 110 ? 2.84856   -18.32461 -26.32782 1.000 48.44781  ? 687 ILE A CA   1 
ATOM   574  C C    . ILE A 1 110 ? 3.11749   -18.35633 -24.83448 1.000 49.86804  ? 687 ILE A C    1 
ATOM   575  O O    . ILE A 1 110 ? 2.18247   -18.47319 -24.02927 1.000 51.86310  ? 687 ILE A O    1 
ATOM   576  C CB   . ILE A 1 110 ? 1.84404   -17.23031 -26.67463 1.000 49.12470  ? 687 ILE A CB   1 
ATOM   577  C CG1  . ILE A 1 110 ? 1.61734   -17.17088 -28.17504 1.000 49.99644  ? 687 ILE A CG1  1 
ATOM   578  C CG2  . ILE A 1 110 ? 2.35701   -15.91234 -26.19135 1.000 51.39674  ? 687 ILE A CG2  1 
ATOM   579  C CD1  . ILE A 1 110 ? 0.55551   -16.20920 -28.54481 1.000 49.77037  ? 687 ILE A CD1  1 
ATOM   580  N N    . SER A 1 111 ? 4.37903   -18.25109 -24.46460 1.000 53.36327  ? 688 SER A N    1 
ATOM   581  C CA   . SER A 1 111 ? 4.77951   -18.42381 -23.07949 1.000 54.32231  ? 688 SER A CA   1 
ATOM   582  C C    . SER A 1 111 ? 5.94196   -17.50163 -22.75446 1.000 55.36078  ? 688 SER A C    1 
ATOM   583  O O    . SER A 1 111 ? 7.07473   -17.76352 -23.17215 1.000 57.80614  ? 688 SER A O    1 
ATOM   584  C CB   . SER A 1 111 ? 5.17724   -19.87660 -22.82072 1.000 56.91789  ? 688 SER A CB   1 
ATOM   585  O OG   . SER A 1 111 ? 5.65657   -20.04972 -21.49553 1.000 58.48358  ? 688 SER A OG   1 
ATOM   586  N N    . PRO A 1 112 ? 5.72534   -16.45570 -21.96592 1.000 54.23519  ? 689 PRO A N    1 
ATOM   587  C CA   . PRO A 1 112 ? 4.46015   -16.23100 -21.28663 1.000 52.45734  ? 689 PRO A CA   1 
ATOM   588  C C    . PRO A 1 112 ? 3.45418   -15.51178 -22.15625 1.000 57.29048  ? 689 PRO A C    1 
ATOM   589  O O    . PRO A 1 112 ? 3.81906   -14.89451 -23.15649 1.000 54.98728  ? 689 PRO A O    1 
ATOM   590  C CB   . PRO A 1 112 ? 4.86368   -15.36490 -20.10729 1.000 54.57518  ? 689 PRO A CB   1 
ATOM   591  C CG   . PRO A 1 112 ? 6.01578   -14.61022 -20.60781 1.000 54.04370  ? 689 PRO A CG   1 
ATOM   592  C CD   . PRO A 1 112 ? 6.76654   -15.53644 -21.49778 1.000 55.53013  ? 689 PRO A CD   1 
ATOM   593  N N    . CYS A 1 113 ? 2.17468   -15.60308 -21.76576 1.000 56.76156  ? 690 CYS A N    1 
ATOM   594  C CA   . CYS A 1 113 ? 1.15133   -14.84258 -22.44337 1.000 50.93629  ? 690 CYS A CA   1 
ATOM   595  C C    . CYS A 1 113 ? 0.68009   -13.71165 -21.54981 1.000 53.42383  ? 690 CYS A C    1 
ATOM   596  O O    . CYS A 1 113 ? 0.80618   -13.78371 -20.32435 1.000 54.56939  ? 690 CYS A O    1 
ATOM   597  C CB   . CYS A 1 113 ? -0.04963  -15.71357 -22.81569 1.000 53.24178  ? 690 CYS A CB   1 
ATOM   598  S SG   . CYS A 1 113 ? -0.88698  -16.40442 -21.39152 1.000 54.20765  ? 690 CYS A SG   1 
ATOM   599  N N    . PRO A 1 114 ? 0.15531   -12.64087 -22.13757 1.000 57.35072  ? 691 PRO A N    1 
ATOM   600  C CA   . PRO A 1 114 ? -0.43335  -11.58015 -21.32462 1.000 52.28704  ? 691 PRO A CA   1 
ATOM   601  C C    . PRO A 1 114 ? -1.57283  -12.13433 -20.49299 1.000 57.65954  ? 691 PRO A C    1 
ATOM   602  O O    . PRO A 1 114 ? -2.17896  -13.15678 -20.82252 1.000 60.74961  ? 691 PRO A O    1 
ATOM   603  C CB   . PRO A 1 114 ? -0.93364  -10.57264 -22.36284 1.000 53.66307  ? 691 PRO A CB   1 
ATOM   604  C CG   . PRO A 1 114 ? -0.10999  -10.86821 -23.60294 1.000 53.25026  ? 691 PRO A CG   1 
ATOM   605  C CD   . PRO A 1 114 ? 0.09140   -12.33712 -23.58082 1.000 53.67739  ? 691 PRO A CD   1 
ATOM   606  N N    . TRP A 1 115 ? -1.85753  -11.44308 -19.39564 1.000 60.27633  ? 692 TRP A N    1 
ATOM   607  C CA   . TRP A 1 115 ? -2.91589  -11.89077 -18.50478 1.000 63.08897  ? 692 TRP A CA   1 
ATOM   608  C C    . TRP A 1 115 ? -4.29384  -11.56510 -19.07373 1.000 64.08962  ? 692 TRP A C    1 
ATOM   609  O O    . TRP A 1 115 ? -5.19128  -12.41455 -19.07032 1.000 64.70660  ? 692 TRP A O    1 
ATOM   610  C CB   . TRP A 1 115 ? -2.72559  -11.26342 -17.13129 1.000 62.60895  ? 692 TRP A CB   1 
ATOM   611  C CG   . TRP A 1 115 ? -3.61805  -11.84840 -16.09025 1.000 66.81519  ? 692 TRP A CG   1 
ATOM   612  C CD1  . TRP A 1 115 ? -4.76065  -11.30371 -15.59861 1.000 67.02400  ? 692 TRP A CD1  1 
ATOM   613  C CD2  . TRP A 1 115 ? -3.43786  -13.09299 -15.39888 1.000 66.25211  ? 692 TRP A CD2  1 
ATOM   614  N NE1  . TRP A 1 115 ? -5.30275  -12.12478 -14.64288 1.000 70.34845  ? 692 TRP A NE1  1 
ATOM   615  C CE2  . TRP A 1 115 ? -4.50978  -13.23309 -14.50737 1.000 67.84540  ? 692 TRP A CE2  1 
ATOM   616  C CE3  . TRP A 1 115 ? -2.48073  -14.10424 -15.45664 1.000 66.07378  ? 692 TRP A CE3  1 
ATOM   617  C CZ2  . TRP A 1 115 ? -4.65108  -14.34328 -13.68254 1.000 68.14170  ? 692 TRP A CZ2  1 
ATOM   618  C CZ3  . TRP A 1 115 ? -2.61950  -15.19960 -14.62670 1.000 65.71242  ? 692 TRP A CZ3  1 
ATOM   619  C CH2  . TRP A 1 115 ? -3.69430  -15.31236 -13.75963 1.000 64.69961  ? 692 TRP A CH2  1 
ATOM   620  N N    . VAL A 1 116 ? -4.48347  -10.34589 -19.57282 1.000 61.87133  ? 693 VAL A N    1 
ATOM   621  C CA   . VAL A 1 116 ? -5.74666  -9.93211  -20.16821 1.000 56.43405  ? 693 VAL A CA   1 
ATOM   622  C C    . VAL A 1 116 ? -5.58672  -9.87976  -21.67500 1.000 61.30037  ? 693 VAL A C    1 
ATOM   623  O O    . VAL A 1 116 ? -4.60657  -9.32418  -22.18917 1.000 62.66343  ? 693 VAL A O    1 
ATOM   624  C CB   . VAL A 1 116 ? -6.21124  -8.57283  -19.63906 1.000 62.39241  ? 693 VAL A CB   1 
ATOM   625  C CG1  . VAL A 1 116 ? -7.49840  -8.15828  -20.34146 1.000 67.45217  ? 693 VAL A CG1  1 
ATOM   626  C CG2  . VAL A 1 116 ? -6.40185  -8.63867  -18.13747 1.000 69.87145  ? 693 VAL A CG2  1 
ATOM   627  N N    . VAL A 1 117 ? -6.55909  -10.44023 -22.37498 1.000 61.91686  ? 694 VAL A N    1 
ATOM   628  C CA   . VAL A 1 117 ? -6.56744  -10.44776 -23.82915 1.000 58.82012  ? 694 VAL A CA   1 
ATOM   629  C C    . VAL A 1 117 ? -7.05913  -9.09584  -24.32525 1.000 62.31114  ? 694 VAL A C    1 
ATOM   630  O O    . VAL A 1 117 ? -8.06029  -8.56412  -23.83066 1.000 66.87258  ? 694 VAL A O    1 
ATOM   631  C CB   . VAL A 1 117 ? -7.45230  -11.58862 -24.34165 1.000 58.04908  ? 694 VAL A CB   1 
ATOM   632  C CG1  . VAL A 1 117 ? -7.48813  -11.60790 -25.84917 1.000 58.04862  ? 694 VAL A CG1  1 
ATOM   633  C CG2  . VAL A 1 117 ? -6.95723  -12.90156 -23.77530 1.000 57.54488  ? 694 VAL A CG2  1 
ATOM   634  N N    . THR A 1 118 ? -6.35833  -8.52951  -25.29748 1.000 64.61633  ? 695 THR A N    1 
ATOM   635  C CA   . THR A 1 118 ? -6.73223  -7.25620  -25.89260 1.000 64.97808  ? 695 THR A CA   1 
ATOM   636  C C    . THR A 1 118 ? -7.04026  -7.42481  -27.37265 1.000 63.08128  ? 695 THR A C    1 
ATOM   637  O O    . THR A 1 118 ? -6.62125  -8.40396  -27.99848 1.000 62.88054  ? 695 THR A O    1 
ATOM   638  C CB   . THR A 1 118 ? -5.61200  -6.22096  -25.74182 1.000 65.06510  ? 695 THR A CB   1 
ATOM   639  O OG1  . THR A 1 118 ? -4.63961  -6.42755  -26.77276 1.000 68.96195  ? 695 THR A OG1  1 
ATOM   640  C CG2  . THR A 1 118 ? -4.93820  -6.39174  -24.41180 1.000 65.55217  ? 695 THR A CG2  1 
ATOM   641  N N    . PRO A 1 119 ? -7.75941  -6.47853  -27.97019 1.000 67.93421  ? 696 PRO A N    1 
ATOM   642  C CA   . PRO A 1 119 ? -7.98224  -6.55799  -29.42035 1.000 68.40398  ? 696 PRO A CA   1 
ATOM   643  C C    . PRO A 1 119 ? -6.68680  -6.56055  -30.21114 1.000 68.48782  ? 696 PRO A C    1 
ATOM   644  O O    . PRO A 1 119 ? -6.59195  -7.25770  -31.22648 1.000 69.97707  ? 696 PRO A O    1 
ATOM   645  C CB   . PRO A 1 119 ? -8.83120  -5.31424  -29.71501 1.000 65.85270  ? 696 PRO A CB   1 
ATOM   646  C CG   . PRO A 1 119 ? -9.40987  -4.89933  -28.39721 1.000 64.06025  ? 696 PRO A CG   1 
ATOM   647  C CD   . PRO A 1 119 ? -8.39482  -5.29643  -27.36732 1.000 66.55897  ? 696 PRO A CD   1 
ATOM   648  N N    . GLU A 1 120 ? -5.67663  -5.81062  -29.76693 1.000 73.73146  ? 697 GLU A N    1 
ATOM   649  C CA   . GLU A 1 120 ? -4.38699  -5.80939  -30.45455 1.000 73.22794  ? 697 GLU A CA   1 
ATOM   650  C C    . GLU A 1 120 ? -3.77165  -7.19481  -30.45582 1.000 71.80154  ? 697 GLU A C    1 
ATOM   651  O O    . GLU A 1 120 ? -3.29581  -7.67408  -31.48945 1.000 73.21317  ? 697 GLU A O    1 
ATOM   652  C CB   . GLU A 1 120 ? -3.41868  -4.82664  -29.79525 1.000 76.42609  ? 697 GLU A CB   1 
ATOM   653  C CG   . GLU A 1 120 ? -3.83661  -3.38386  -29.86029 1.000 79.98746  ? 697 GLU A CG   1 
ATOM   654  C CD   . GLU A 1 120 ? -5.11580  -3.14752  -29.10101 1.000 80.62659  ? 697 GLU A CD   1 
ATOM   655  O OE1  . GLU A 1 120 ? -5.33767  -3.86023  -28.09331 1.000 79.63149  ? 697 GLU A OE1  1 
ATOM   656  O OE2  . GLU A 1 120 ? -5.90839  -2.28300  -29.52424 1.000 84.86513  ? 697 GLU A OE2  1 
ATOM   657  N N    . PHE A 1 121 ? -3.74755  -7.84261  -29.29289 1.000 63.03047  ? 698 PHE A N    1 
ATOM   658  C CA   . PHE A 1 121 ? -3.23622  -9.20363  -29.21234 1.000 61.25347  ? 698 PHE A CA   1 
ATOM   659  C C    . PHE A 1 121 ? -3.81883  -10.06159 -30.32546 1.000 61.55641  ? 698 PHE A C    1 
ATOM   660  O O    . PHE A 1 121 ? -3.08849  -10.77192 -31.02503 1.000 58.52965  ? 698 PHE A O    1 
ATOM   661  C CB   . PHE A 1 121 ? -3.55708  -9.78276  -27.83117 1.000 62.14424  ? 698 PHE A CB   1 
ATOM   662  C CG   . PHE A 1 121 ? -2.96541  -11.14585 -27.57577 1.000 59.61891  ? 698 PHE A CG   1 
ATOM   663  C CD1  . PHE A 1 121 ? -1.63305  -11.28422 -27.23897 1.000 54.73672  ? 698 PHE A CD1  1 
ATOM   664  C CD2  . PHE A 1 121 ? -3.75625  -12.29003 -27.64025 1.000 56.24001  ? 698 PHE A CD2  1 
ATOM   665  C CE1  . PHE A 1 121 ? -1.08974  -12.53852 -26.99113 1.000 54.10289  ? 698 PHE A CE1  1 
ATOM   666  C CE2  . PHE A 1 121 ? -3.21964  -13.54380 -27.39440 1.000 55.31364  ? 698 PHE A CE2  1 
ATOM   667  C CZ   . PHE A 1 121 ? -1.88390  -13.66902 -27.07254 1.000 54.77851  ? 698 PHE A CZ   1 
ATOM   668  N N    . LEU A 1 122 ? -5.14072  -9.97534  -30.52645 1.000 62.31718  ? 699 LEU A N    1 
ATOM   669  C CA   . LEU A 1 122 ? -5.80024  -10.77134 -31.55872 1.000 61.12420  ? 699 LEU A CA   1 
ATOM   670  C C    . LEU A 1 122 ? -5.25858  -10.44673 -32.94442 1.000 62.77795  ? 699 LEU A C    1 
ATOM   671  O O    . LEU A 1 122 ? -4.89207  -11.34660 -33.71041 1.000 61.70531  ? 699 LEU A O    1 
ATOM   672  C CB   . LEU A 1 122 ? -7.30414  -10.53171 -31.52257 1.000 60.92496  ? 699 LEU A CB   1 
ATOM   673  C CG   . LEU A 1 122 ? -7.94677  -10.59783 -30.15463 1.000 58.13204  ? 699 LEU A CG   1 
ATOM   674  C CD1  . LEU A 1 122 ? -9.38878  -10.32696 -30.33283 1.000 60.36986  ? 699 LEU A CD1  1 
ATOM   675  C CD2  . LEU A 1 122 ? -7.73543  -11.97841 -29.57269 1.000 58.90872  ? 699 LEU A CD2  1 
ATOM   676  N N    . GLU A 1 123 ? -5.23624  -9.16280  -33.30019 1.000 68.49441  ? 700 GLU A N    1 
ATOM   677  C CA   . GLU A 1 123 ? -4.70596  -8.78812  -34.60171 1.000 69.63274  ? 700 GLU A CA   1 
ATOM   678  C C    . GLU A 1 123 ? -3.24474  -9.19287  -34.72598 1.000 70.21523  ? 700 GLU A C    1 
ATOM   679  O O    . GLU A 1 123 ? -2.84114  -9.78441  -35.73202 1.000 73.47518  ? 700 GLU A O    1 
ATOM   680  C CB   . GLU A 1 123 ? -4.89173  -7.28950  -34.83377 1.000 69.97293  ? 700 GLU A CB   1 
ATOM   681  C CG   . GLU A 1 123 ? -6.00477  -6.99429  -35.83151 1.000 80.47139  ? 700 GLU A CG   1 
ATOM   682  C CD   . GLU A 1 123 ? -5.67667  -7.51593  -37.23240 1.000 88.49996  ? 700 GLU A CD   1 
ATOM   683  O OE1  . GLU A 1 123 ? -4.70641  -6.98573  -37.83133 1.000 91.05047  ? 700 GLU A OE1  1 
ATOM   684  O OE2  . GLU A 1 123 ? -6.36133  -8.46022  -37.72400 1.000 87.00503  ? 700 GLU A OE2  1 
ATOM   685  N N    . LYS A 1 124 ? -2.44347  -8.91898  -33.69802 1.000 64.98994  ? 701 LYS A N    1 
ATOM   686  C CA   . LYS A 1 124 ? -1.02291  -9.23533  -33.77066 1.000 62.26768  ? 701 LYS A CA   1 
ATOM   687  C C    . LYS A 1 124 ? -0.79194  -10.69069 -34.15284 1.000 61.50138  ? 701 LYS A C    1 
ATOM   688  O O    . LYS A 1 124 ? 0.08207   -10.98243 -34.97716 1.000 60.51693  ? 701 LYS A O    1 
ATOM   689  C CB   . LYS A 1 124 ? -0.34560  -8.91093  -32.43687 1.000 63.47011  ? 701 LYS A CB   1 
ATOM   690  C CG   . LYS A 1 124 ? 1.11553   -9.33128  -32.33570 1.000 60.24856  ? 701 LYS A CG   1 
ATOM   691  C CD   . LYS A 1 124 ? 1.70434   -8.90847  -30.99673 1.000 61.89299  ? 701 LYS A CD   1 
ATOM   692  C CE   . LYS A 1 124 ? 3.22014   -8.76286  -31.05499 1.000 63.07478  ? 701 LYS A CE   1 
ATOM   693  N NZ   . LYS A 1 124 ? 3.91837   -9.88424  -30.36125 1.000 64.35080  ? 701 LYS A NZ   1 
ATOM   694  N N    . TYR A 1 125 ? -1.57355  -11.61434 -33.57646 1.000 60.55929  ? 702 TYR A N    1 
ATOM   695  C CA   . TYR A 1 125 ? -1.41127  -13.05737 -33.77523 1.000 60.14381  ? 702 TYR A CA   1 
ATOM   696  C C    . TYR A 1 125 ? -2.40026  -13.64842 -34.78102 1.000 59.09342  ? 702 TYR A C    1 
ATOM   697  O O    . TYR A 1 125 ? -2.41746  -14.86986 -34.97889 1.000 52.50645  ? 702 TYR A O    1 
ATOM   698  C CB   . TYR A 1 125 ? -1.52422  -13.79124 -32.43321 1.000 53.56000  ? 702 TYR A CB   1 
ATOM   699  C CG   . TYR A 1 125 ? -0.32114  -13.54596 -31.55175 1.000 58.13840  ? 702 TYR A CG   1 
ATOM   700  C CD1  . TYR A 1 125 ? 0.84941   -14.28669 -31.70967 1.000 56.51714  ? 702 TYR A CD1  1 
ATOM   701  C CD2  . TYR A 1 125 ? -0.33280  -12.55597 -30.58862 1.000 57.85177  ? 702 TYR A CD2  1 
ATOM   702  C CE1  . TYR A 1 125 ? 1.96981   -14.05149 -30.92047 1.000 53.19880  ? 702 TYR A CE1  1 
ATOM   703  C CE2  . TYR A 1 125 ? 0.78406   -12.31675 -29.79319 1.000 58.54152  ? 702 TYR A CE2  1 
ATOM   704  C CZ   . TYR A 1 125 ? 1.93180   -13.06274 -29.96598 1.000 56.53499  ? 702 TYR A CZ   1 
ATOM   705  O OH   . TYR A 1 125 ? 3.03760   -12.81863 -29.17901 1.000 62.77274  ? 702 TYR A OH   1 
ATOM   706  N N    . LYS A 1 126 ? -3.20711  -12.80841 -35.42202 1.000 57.79459  ? 703 LYS A N    1 
ATOM   707  C CA   . LYS A 1 126 ? -4.23445  -13.25006 -36.35553 1.000 61.24390  ? 703 LYS A CA   1 
ATOM   708  C C    . LYS A 1 126 ? -5.15641  -14.28181 -35.71383 1.000 57.07907  ? 703 LYS A C    1 
ATOM   709  O O    . LYS A 1 126 ? -5.40306  -15.34802 -36.27327 1.000 59.13423  ? 703 LYS A O    1 
ATOM   710  C CB   . LYS A 1 126 ? -3.61025  -13.81208 -37.63183 1.000 60.99909  ? 703 LYS A CB   1 
ATOM   711  C CG   . LYS A 1 126 ? -2.48816  -12.96382 -38.23415 1.000 67.98824  ? 703 LYS A CG   1 
ATOM   712  C CD   . LYS A 1 126 ? -2.99061  -11.86278 -39.16467 1.000 73.72649  ? 703 LYS A CD   1 
ATOM   713  C CE   . LYS A 1 126 ? -3.85504  -10.82787 -38.44226 1.000 78.03200  ? 703 LYS A CE   1 
ATOM   714  N NZ   . LYS A 1 126 ? -4.05955  -9.61500  -39.30252 1.000 81.69465  ? 703 LYS A NZ   1 
ATOM   715  N N    . ILE A 1 127 ? -5.67601  -13.96219 -34.52846 1.000 53.33363  ? 704 ILE A N    1 
ATOM   716  C CA   . ILE A 1 127 ? -6.49611  -14.90466 -33.76619 1.000 53.89793  ? 704 ILE A CA   1 
ATOM   717  C C    . ILE A 1 127 ? -7.95055  -14.76683 -34.18406 1.000 53.34860  ? 704 ILE A C    1 
ATOM   718  O O    . ILE A 1 127 ? -8.49789  -13.65824 -34.20421 1.000 57.41525  ? 704 ILE A O    1 
ATOM   719  C CB   . ILE A 1 127 ? -6.34655  -14.67632 -32.25407 1.000 52.78165  ? 704 ILE A CB   1 
ATOM   720  C CG1  . ILE A 1 127 ? -5.00041  -15.19026 -31.78203 1.000 53.64458  ? 704 ILE A CG1  1 
ATOM   721  C CG2  . ILE A 1 127 ? -7.43481  -15.40291 -31.48656 1.000 48.82170  ? 704 ILE A CG2  1 
ATOM   722  C CD1  . ILE A 1 127 ? -4.68362  -14.78540 -30.38086 1.000 58.48768  ? 704 ILE A CD1  1 
ATOM   723  N N    . ASP A 1 128 ? -8.58853  -15.88870 -34.49897 1.000 51.22933  ? 705 ASP A N    1 
ATOM   724  C CA   . ASP A 1 128 ? -9.98348  -15.86147 -34.93270 1.000 52.98037  ? 705 ASP A CA   1 
ATOM   725  C C    . ASP A 1 128 ? -10.98291 -16.06382 -33.79583 1.000 55.30187  ? 705 ASP A C    1 
ATOM   726  O O    . ASP A 1 128 ? -12.04254 -15.43258 -33.79007 1.000 52.83809  ? 705 ASP A O    1 
ATOM   727  C CB   . ASP A 1 128 ? -10.21232 -16.92083 -36.00069 1.000 49.96350  ? 705 ASP A CB   1 
ATOM   728  C CG   . ASP A 1 128 ? -9.43573  -16.63866 -37.25938 1.000 53.11805  ? 705 ASP A CG   1 
ATOM   729  O OD1  . ASP A 1 128 ? -9.47886  -15.49515 -37.73992 1.000 60.16550  ? 705 ASP A OD1  1 
ATOM   730  O OD2  . ASP A 1 128 ? -8.77692  -17.55569 -37.77552 1.000 54.60295  ? 705 ASP A OD2  1 
ATOM   731  N N    . TYR A 1 129 ? -10.67105 -16.93144 -32.83636 1.000 53.76822  ? 706 TYR A N    1 
ATOM   732  C CA   . TYR A 1 129 ? -11.54247 -17.18897 -31.70256 1.000 56.04202  ? 706 TYR A CA   1 
ATOM   733  C C    . TYR A 1 129 ? -10.70494 -17.38735 -30.44729 1.000 54.32408  ? 706 TYR A C    1 
ATOM   734  O O    . TYR A 1 129 ? -9.63351  -18.00354 -30.49573 1.000 53.70074  ? 706 TYR A O    1 
ATOM   735  C CB   . TYR A 1 129 ? -12.40650 -18.43180 -31.92830 1.000 58.31621  ? 706 TYR A CB   1 
ATOM   736  C CG   . TYR A 1 129 ? -13.33207 -18.35619 -33.11032 1.000 54.08150  ? 706 TYR A CG   1 
ATOM   737  C CD1  . TYR A 1 129 ? -14.61303 -17.85262 -32.97751 1.000 56.47191  ? 706 TYR A CD1  1 
ATOM   738  C CD2  . TYR A 1 129 ? -12.93920 -18.83681 -34.34727 1.000 56.47606  ? 706 TYR A CD2  1 
ATOM   739  C CE1  . TYR A 1 129 ? -15.46694 -17.80139 -34.04698 1.000 56.98414  ? 706 TYR A CE1  1 
ATOM   740  C CE2  . TYR A 1 129 ? -13.78251 -18.77930 -35.43238 1.000 54.98055  ? 706 TYR A CE2  1 
ATOM   741  C CZ   . TYR A 1 129 ? -15.04626 -18.26205 -35.27450 1.000 55.73383  ? 706 TYR A CZ   1 
ATOM   742  O OH   . TYR A 1 129 ? -15.88657 -18.20957 -36.34658 1.000 56.62780  ? 706 TYR A OH   1 
ATOM   743  N N    . VAL A 1 130 ? -11.19337 -16.85869 -29.32978 1.000 52.64775  ? 707 VAL A N    1 
ATOM   744  C CA   . VAL A 1 130 ? -10.61646 -17.12892 -28.01927 1.000 50.30872  ? 707 VAL A CA   1 
ATOM   745  C C    . VAL A 1 130 ? -11.48102 -18.21026 -27.37910 1.000 54.87091  ? 707 VAL A C    1 
ATOM   746  O O    . VAL A 1 130 ? -12.71440 -18.12021 -27.40879 1.000 58.49601  ? 707 VAL A O    1 
ATOM   747  C CB   . VAL A 1 130 ? -10.54415 -15.85651 -27.15507 1.000 51.93999  ? 707 VAL A CB   1 
ATOM   748  C CG1  . VAL A 1 130 ? -9.99942  -16.17059 -25.79920 1.000 51.12883  ? 707 VAL A CG1  1 
ATOM   749  C CG2  . VAL A 1 130 ? -9.64738  -14.80110 -27.79271 1.000 48.63702  ? 707 VAL A CG2  1 
ATOM   750  N N    . ALA A 1 131 ? -10.85041 -19.26828 -26.86377 1.000 53.89231  ? 708 ALA A N    1 
ATOM   751  C CA   . ALA A 1 131 ? -11.55848 -20.41147 -26.29346 1.000 56.66999  ? 708 ALA A CA   1 
ATOM   752  C C    . ALA A 1 131 ? -11.26907 -20.49312 -24.80230 1.000 58.50459  ? 708 ALA A C    1 
ATOM   753  O O    . ALA A 1 131 ? -10.10427 -20.54347 -24.39006 1.000 61.50905  ? 708 ALA A O    1 
ATOM   754  C CB   . ALA A 1 131 ? -11.17049 -21.72710 -26.97990 1.000 56.91009  ? 708 ALA A CB   1 
ATOM   755  N N    . HIS A 1 132 ? -12.33160 -20.51592 -24.00301 1.000 66.68379  ? 709 HIS A N    1 
ATOM   756  C CA   . HIS A 1 132 ? -12.22460 -20.43920 -22.55577 1.000 71.58825  ? 709 HIS A CA   1 
ATOM   757  C C    . HIS A 1 132 ? -13.53212 -20.92008 -21.94506 1.000 73.85194  ? 709 HIS A C    1 
ATOM   758  O O    . HIS A 1 132 ? -14.57787 -20.92907 -22.59497 1.000 74.04137  ? 709 HIS A O    1 
ATOM   759  C CB   . HIS A 1 132 ? -11.89870 -19.01282 -22.09584 1.000 75.23619  ? 709 HIS A CB   1 
ATOM   760  C CG   . HIS A 1 132 ? -11.13476 -18.96052 -20.80995 1.000 82.27082  ? 709 HIS A CG   1 
ATOM   761  N ND1  . HIS A 1 132 ? -11.75309 -18.93399 -19.57611 1.000 85.15777  ? 709 HIS A ND1  1 
ATOM   762  C CD2  . HIS A 1 132 ? -9.80208  -18.95678 -20.56403 1.000 80.14416  ? 709 HIS A CD2  1 
ATOM   763  C CE1  . HIS A 1 132 ? -10.83463 -18.90467 -18.62778 1.000 84.43925  ? 709 HIS A CE1  1 
ATOM   764  N NE2  . HIS A 1 132 ? -9.64441  -18.92838 -19.19984 1.000 82.46731  ? 709 HIS A NE2  1 
ATOM   765  N N    . ASP A 1 133 ? -13.46156 -21.32707 -20.68549 1.000 83.80421  ? 710 ASP A N    1 
ATOM   766  C CA   . ASP A 1 133 ? -14.66871 -21.74423 -19.99649 1.000 88.32397  ? 710 ASP A CA   1 
ATOM   767  C C    . ASP A 1 133 ? -15.49037 -20.52097 -19.58937 1.000 92.26611  ? 710 ASP A C    1 
ATOM   768  O O    . ASP A 1 133 ? -14.98205 -19.39737 -19.50918 1.000 91.26964  ? 710 ASP A O    1 
ATOM   769  C CB   . ASP A 1 133 ? -14.31440 -22.60380 -18.78014 1.000 91.38853  ? 710 ASP A CB   1 
ATOM   770  C CG   . ASP A 1 133 ? -13.02304 -22.16089 -18.10724 1.000 98.81596  ? 710 ASP A CG   1 
ATOM   771  O OD1  . ASP A 1 133 ? -12.63547 -20.98413 -18.27995 1.000 97.43612  ? 710 ASP A OD1  1 
ATOM   772  O OD2  . ASP A 1 133 ? -12.39055 -22.98512 -17.40704 1.000 105.34374 ? 710 ASP A OD2  1 
ATOM   773  N N    . ASP A 1 134 ? -16.78231 -20.75212 -19.35269 1.000 93.68703  ? 711 ASP A N    1 
ATOM   774  C CA   . ASP A 1 134 ? -17.71475 -19.69870 -18.95520 1.000 98.66782  ? 711 ASP A CA   1 
ATOM   775  C C    . ASP A 1 134 ? -18.46590 -20.08498 -17.67126 1.000 102.99687 ? 711 ASP A C    1 
ATOM   776  O O    . ASP A 1 134 ? -18.17662 -19.58282 -16.57748 1.000 107.06537 ? 711 ASP A O    1 
ATOM   777  C CB   . ASP A 1 134 ? -18.71213 -19.40628 -20.09026 1.000 93.39919  ? 711 ASP A CB   1 
ATOM   778  N N    . ASP A 1 144 ? -18.89965 -9.12321  -17.61713 1.000 95.63093  ? 739 ASP A N    1 
ATOM   779  C CA   . ASP A 1 144 ? -17.78397 -10.04999 -17.48518 1.000 89.84159  ? 739 ASP A CA   1 
ATOM   780  C C    . ASP A 1 144 ? -16.70028 -9.69136  -18.47789 1.000 88.55267  ? 739 ASP A C    1 
ATOM   781  O O    . ASP A 1 144 ? -16.94800 -8.96081  -19.43794 1.000 85.54072  ? 739 ASP A O    1 
ATOM   782  C CB   . ASP A 1 144 ? -18.23141 -11.49909 -17.69177 1.000 90.63757  ? 739 ASP A CB   1 
ATOM   783  C CG   . ASP A 1 144 ? -18.39868 -11.87003 -19.16393 1.000 88.33846  ? 739 ASP A CG   1 
ATOM   784  O OD1  . ASP A 1 144 ? -19.43895 -11.52748 -19.77803 1.000 87.78280  ? 739 ASP A OD1  1 
ATOM   785  O OD2  . ASP A 1 144 ? -17.48351 -12.52010 -19.71206 1.000 88.02716  ? 739 ASP A OD2  1 
ATOM   786  N N    . ILE A 1 145 ? -15.49244 -10.21314 -18.23665 1.000 89.87557  ? 740 ILE A N    1 
ATOM   787  C CA   . ILE A 1 145 ? -14.31753 -9.82588  -19.01800 1.000 88.27887  ? 740 ILE A CA   1 
ATOM   788  C C    . ILE A 1 145 ? -14.29666 -10.40357 -20.42708 1.000 84.77100  ? 740 ILE A C    1 
ATOM   789  O O    . ILE A 1 145 ? -13.41011 -10.05968 -21.21728 1.000 85.09401  ? 740 ILE A O    1 
ATOM   790  C CB   . ILE A 1 145 ? -13.03865 -10.23568 -18.26533 1.000 87.46647  ? 740 ILE A CB   1 
ATOM   791  C CG1  . ILE A 1 145 ? -12.87458 -11.75478 -18.27635 1.000 90.16336  ? 740 ILE A CG1  1 
ATOM   792  C CG2  . ILE A 1 145 ? -13.10074 -9.73886  -16.83456 1.000 89.90165  ? 740 ILE A CG2  1 
ATOM   793  C CD1  . ILE A 1 145 ? -11.51791 -12.23423 -17.77810 1.000 92.56970  ? 740 ILE A CD1  1 
ATOM   794  N N    . TYR A 1 146 ? -15.23820 -11.26948 -20.77957 1.000 82.48407  ? 741 TYR A N    1 
ATOM   795  C CA   . TYR A 1 146 ? -15.28339 -11.81445 -22.12613 1.000 79.03966  ? 741 TYR A CA   1 
ATOM   796  C C    . TYR A 1 146 ? -16.46153 -11.27901 -22.93298 1.000 72.32633  ? 741 TYR A C    1 
ATOM   797  O O    . TYR A 1 146 ? -16.66565 -11.70983 -24.06967 1.000 68.70691  ? 741 TYR A O    1 
ATOM   798  C CB   . TYR A 1 146 ? -15.30908 -13.34240 -22.06680 1.000 82.87169  ? 741 TYR A CB   1 
ATOM   799  C CG   . TYR A 1 146 ? -14.10325 -13.94230 -21.35973 1.000 87.05320  ? 741 TYR A CG   1 
ATOM   800  C CD1  . TYR A 1 146 ? -12.81501 -13.48101 -21.61875 1.000 85.03447  ? 741 TYR A CD1  1 
ATOM   801  C CD2  . TYR A 1 146 ? -14.25744 -14.95723 -20.41566 1.000 88.50329  ? 741 TYR A CD2  1 
ATOM   802  C CE1  . TYR A 1 146 ? -11.71281 -14.02466 -20.96609 1.000 86.60500  ? 741 TYR A CE1  1 
ATOM   803  C CE2  . TYR A 1 146 ? -13.16048 -15.50632 -19.75881 1.000 86.77684  ? 741 TYR A CE2  1 
ATOM   804  C CZ   . TYR A 1 146 ? -11.89145 -15.03926 -20.03838 1.000 89.69766  ? 741 TYR A CZ   1 
ATOM   805  O OH   . TYR A 1 146 ? -10.79554 -15.58272 -19.38631 1.000 92.69874  ? 741 TYR A OH   1 
ATOM   806  N N    . ALA A 1 147 ? -17.21424 -10.32091 -22.38897 1.000 73.92454  ? 742 ALA A N    1 
ATOM   807  C CA   . ALA A 1 147 ? -18.35016 -9.76027  -23.11539 1.000 73.19533  ? 742 ALA A CA   1 
ATOM   808  C C    . ALA A 1 147 ? -17.91931 -9.13617  -24.43991 1.000 70.21216  ? 742 ALA A C    1 
ATOM   809  O O    . ALA A 1 147 ? -18.56561 -9.34370  -25.47470 1.000 63.80380  ? 742 ALA A O    1 
ATOM   810  C CB   . ALA A 1 147 ? -19.07276 -8.72596  -22.25321 1.000 72.19249  ? 742 ALA A CB   1 
ATOM   811  N N    . TRP A 1 148 ? -16.84270 -8.34255  -24.42639 1.000 68.83009  ? 743 TRP A N    1 
ATOM   812  C CA   . TRP A 1 148 ? -16.40092 -7.71720  -25.66779 1.000 64.85024  ? 743 TRP A CA   1 
ATOM   813  C C    . TRP A 1 148 ? -16.11202 -8.75598  -26.73873 1.000 63.34472  ? 743 TRP A C    1 
ATOM   814  O O    . TRP A 1 148 ? -16.30467 -8.48835  -27.92997 1.000 61.28037  ? 743 TRP A O    1 
ATOM   815  C CB   . TRP A 1 148 ? -15.16510 -6.85702  -25.42461 1.000 67.28498  ? 743 TRP A CB   1 
ATOM   816  C CG   . TRP A 1 148 ? -13.89969 -7.61030  -25.14369 1.000 67.62675  ? 743 TRP A CG   1 
ATOM   817  C CD1  . TRP A 1 148 ? -13.53482 -8.18645  -23.96301 1.000 72.14410  ? 743 TRP A CD1  1 
ATOM   818  C CD2  . TRP A 1 148 ? -12.81388 -7.84148  -26.05161 1.000 68.23778  ? 743 TRP A CD2  1 
ATOM   819  N NE1  . TRP A 1 148 ? -12.29268 -8.77427  -24.07905 1.000 72.40615  ? 743 TRP A NE1  1 
ATOM   820  C CE2  . TRP A 1 148 ? -11.82583 -8.57065  -25.34993 1.000 69.53759  ? 743 TRP A CE2  1 
ATOM   821  C CE3  . TRP A 1 148 ? -12.58179 -7.51024  -27.38935 1.000 67.62285  ? 743 TRP A CE3  1 
ATOM   822  C CZ2  . TRP A 1 148 ? -10.61988 -8.96504  -25.94025 1.000 67.68158  ? 743 TRP A CZ2  1 
ATOM   823  C CZ3  . TRP A 1 148 ? -11.37712 -7.90141  -27.97414 1.000 68.83699  ? 743 TRP A CZ3  1 
ATOM   824  C CH2  . TRP A 1 148 ? -10.41317 -8.61690  -27.24673 1.000 66.26592  ? 743 TRP A CH2  1 
ATOM   825  N N    . LEU A 1 149 ? -15.63836 -9.93986  -26.33406 1.000 67.18847  ? 744 LEU A N    1 
ATOM   826  C CA   . LEU A 1 149 ? -15.37834 -11.02284 -27.27467 1.000 62.10853  ? 744 LEU A CA   1 
ATOM   827  C C    . LEU A 1 149 ? -16.67307 -11.64767 -27.78479 1.000 60.88587  ? 744 LEU A C    1 
ATOM   828  O O    . LEU A 1 149 ? -16.79954 -11.93084 -28.98029 1.000 60.40100  ? 744 LEU A O    1 
ATOM   829  C CB   . LEU A 1 149 ? -14.49082 -12.06973 -26.60996 1.000 62.33589  ? 744 LEU A CB   1 
ATOM   830  C CG   . LEU A 1 149 ? -13.07755 -11.57622 -26.28380 1.000 65.72240  ? 744 LEU A CG   1 
ATOM   831  C CD1  . LEU A 1 149 ? -12.46622 -12.40769 -25.19679 1.000 63.68323  ? 744 LEU A CD1  1 
ATOM   832  C CD2  . LEU A 1 149 ? -12.18632 -11.58515 -27.50845 1.000 60.18048  ? 744 LEU A CD2  1 
ATOM   833  N N    . LYS A 1 150 ? -17.64457 -11.86879 -26.89802 1.000 60.93727  ? 745 LYS A N    1 
ATOM   834  C CA   . LYS A 1 150 ? -18.93486 -12.37237 -27.33663 1.000 55.56238  ? 745 LYS A CA   1 
ATOM   835  C C    . LYS A 1 150 ? -19.65225 -11.36411 -28.23029 1.000 56.89384  ? 745 LYS A C    1 
ATOM   836  O O    . LYS A 1 150 ? -20.32702 -11.75203 -29.19485 1.000 53.80402  ? 745 LYS A O    1 
ATOM   837  C CB   . LYS A 1 150 ? -19.78960 -12.71006 -26.12570 1.000 57.90737  ? 745 LYS A CB   1 
ATOM   838  C CG   . LYS A 1 150 ? -19.15376 -13.67649 -25.15613 1.000 59.97009  ? 745 LYS A CG   1 
ATOM   839  C CD   . LYS A 1 150 ? -20.05634 -13.89399 -23.92827 1.000 60.78885  ? 745 LYS A CD   1 
ATOM   840  C CE   . LYS A 1 150 ? -19.43953 -14.87916 -22.94631 1.000 62.98379  ? 745 LYS A CE   1 
ATOM   841  N NZ   . LYS A 1 150 ? -20.11602 -14.88833 -21.62809 1.000 65.37281  ? 745 LYS A NZ   1 
ATOM   842  N N    . ARG A 1 151 ? -19.53375 -10.06952 -27.93338 1.000 57.34860  ? 746 ARG A N    1 
ATOM   843  C CA   . ARG A 1 151 ? -20.12675 -9.08934  -28.83207 1.000 57.34771  ? 746 ARG A CA   1 
ATOM   844  C C    . ARG A 1 151 ? -19.54069 -9.20124  -30.22797 1.000 58.26679  ? 746 ARG A C    1 
ATOM   845  O O    . ARG A 1 151 ? -20.23564 -8.95973  -31.21945 1.000 59.23915  ? 746 ARG A O    1 
ATOM   846  C CB   . ARG A 1 151 ? -19.93868 -7.66926  -28.30733 1.000 59.92973  ? 746 ARG A CB   1 
ATOM   847  C CG   . ARG A 1 151 ? -21.16888 -7.11650  -27.63862 1.000 62.05878  ? 746 ARG A CG   1 
ATOM   848  C CD   . ARG A 1 151 ? -21.02614 -5.64842  -27.33439 1.000 64.59912  ? 746 ARG A CD   1 
ATOM   849  N NE   . ARG A 1 151 ? -19.89751 -5.39974  -26.44528 1.000 73.90005  ? 746 ARG A NE   1 
ATOM   850  C CZ   . ARG A 1 151 ? -19.99431 -5.27004  -25.12706 1.000 77.01586  ? 746 ARG A CZ   1 
ATOM   851  N NH1  . ARG A 1 151 ? -21.17208 -5.28689  -24.51259 1.000 83.87118  ? 746 ARG A NH1  1 
ATOM   852  N NH2  . ARG A 1 151 ? -18.88442 -5.13853  -24.40552 1.000 70.79178  ? 746 ARG A NH2  1 
ATOM   853  N N    . ALA A 1 152 ? -18.27934 -9.56878  -30.33409 1.000 57.88031  ? 747 ALA A N    1 
ATOM   854  C CA   . ALA A 1 152 ? -17.63823 -9.61303  -31.63038 1.000 56.99085  ? 747 ALA A CA   1 
ATOM   855  C C    . ALA A 1 152 ? -17.74893 -10.97434 -32.30173 1.000 58.55621  ? 747 ALA A C    1 
ATOM   856  O O    . ALA A 1 152 ? -17.14479 -11.17205 -33.35945 1.000 61.94397  ? 747 ALA A O    1 
ATOM   857  C CB   . ALA A 1 152 ? -16.17224 -9.20562  -31.49749 1.000 58.10242  ? 747 ALA A CB   1 
ATOM   858  N N    . GLY A 1 153 ? -18.52367 -11.90515 -31.74175 1.000 60.62780  ? 748 GLY A N    1 
ATOM   859  C CA   . GLY A 1 153 ? -18.61948 -13.23854 -32.30854 1.000 52.61832  ? 748 GLY A CA   1 
ATOM   860  C C    . GLY A 1 153 ? -17.38414 -14.08189 -32.12205 1.000 52.80086  ? 748 GLY A C    1 
ATOM   861  O O    . GLY A 1 153 ? -17.29735 -15.16654 -32.69952 1.000 55.62152  ? 748 GLY A O    1 
ATOM   862  N N    . LYS A 1 154 ? -16.43715 -13.63060 -31.30940 1.000 53.77726  ? 749 LYS A N    1 
ATOM   863  C CA   . LYS A 1 154 ? -15.11163 -14.21970 -31.24691 1.000 56.88724  ? 749 LYS A CA   1 
ATOM   864  C C    . LYS A 1 154 ? -14.89055 -15.09342 -30.02037 1.000 59.76183  ? 749 LYS A C    1 
ATOM   865  O O    . LYS A 1 154 ? -13.76184 -15.53776 -29.78677 1.000 64.53145  ? 749 LYS A O    1 
ATOM   866  C CB   . LYS A 1 154 ? -14.05589 -13.12094 -31.28364 1.000 56.41484  ? 749 LYS A CB   1 
ATOM   867  C CG   . LYS A 1 154 ? -13.80740 -12.56353 -32.65361 1.000 59.19578  ? 749 LYS A CG   1 
ATOM   868  C CD   . LYS A 1 154 ? -12.84740 -11.39664 -32.56378 1.000 64.41449  ? 749 LYS A CD   1 
ATOM   869  C CE   . LYS A 1 154 ? -12.54968 -10.80185 -33.92645 1.000 66.70516  ? 749 LYS A CE   1 
ATOM   870  N NZ   . LYS A 1 154 ? -11.86202 -11.77808 -34.80796 1.000 75.14108  ? 749 LYS A NZ   1 
ATOM   871  N N    . PHE A 1 155 ? -15.92481 -15.37497 -29.24590 1.000 60.35962  ? 750 PHE A N    1 
ATOM   872  C CA   . PHE A 1 155 ? -15.78419 -16.15806 -28.02863 1.000 58.91168  ? 750 PHE A CA   1 
ATOM   873  C C    . PHE A 1 155 ? -16.43024 -17.52017 -28.21276 1.000 57.60754  ? 750 PHE A C    1 
ATOM   874  O O    . PHE A 1 155 ? -17.62442 -17.60475 -28.49531 1.000 63.85444  ? 750 PHE A O    1 
ATOM   875  C CB   . PHE A 1 155 ? -16.42327 -15.43803 -26.85129 1.000 60.28559  ? 750 PHE A CB   1 
ATOM   876  C CG   . PHE A 1 155 ? -16.33470 -16.19716 -25.59420 1.000 65.13995  ? 750 PHE A CG   1 
ATOM   877  C CD1  . PHE A 1 155 ? -15.23461 -16.06848 -24.78038 1.000 72.17668  ? 750 PHE A CD1  1 
ATOM   878  C CD2  . PHE A 1 155 ? -17.32791 -17.07771 -25.23397 1.000 68.54240  ? 750 PHE A CD2  1 
ATOM   879  C CE1  . PHE A 1 155 ? -15.14054 -16.79281 -23.60724 1.000 75.62815  ? 750 PHE A CE1  1 
ATOM   880  C CE2  . PHE A 1 155 ? -17.23596 -17.79845 -24.06186 1.000 69.12900  ? 750 PHE A CE2  1 
ATOM   881  C CZ   . PHE A 1 155 ? -16.14447 -17.65437 -23.25062 1.000 70.02436  ? 750 PHE A CZ   1 
ATOM   882  N N    . LYS A 1 156 ? -15.64786 -18.57286 -28.03085 1.000 57.68270  ? 751 LYS A N    1 
ATOM   883  C CA   . LYS A 1 156 ? -16.12251 -19.94865 -28.04010 1.000 57.65660  ? 751 LYS A CA   1 
ATOM   884  C C    . LYS A 1 156 ? -15.91663 -20.53316 -26.65182 1.000 64.87599  ? 751 LYS A C    1 
ATOM   885  O O    . LYS A 1 156 ? -14.77956 -20.62005 -26.17894 1.000 62.41990  ? 751 LYS A O    1 
ATOM   886  C CB   . LYS A 1 156 ? -15.37344 -20.78627 -29.07252 1.000 56.33097  ? 751 LYS A CB   1 
ATOM   887  C CG   . LYS A 1 156 ? -15.92473 -20.66628 -30.48421 1.000 59.87786  ? 751 LYS A CG   1 
ATOM   888  C CD   . LYS A 1 156 ? -17.42569 -20.85938 -30.49526 1.000 59.92882  ? 751 LYS A CD   1 
ATOM   889  C CE   . LYS A 1 156 ? -17.94816 -21.03592 -31.90417 1.000 62.18276  ? 751 LYS A CE   1 
ATOM   890  N NZ   . LYS A 1 156 ? -17.67623 -22.39912 -32.40042 1.000 63.41083  ? 751 LYS A NZ   1 
ATOM   891  N N    . ALA A 1 157 ? -17.00307 -20.95737 -26.01432 1.000 63.23439  ? 752 ALA A N    1 
ATOM   892  C CA   . ALA A 1 157 ? -16.90933 -21.50828 -24.67200 1.000 65.94825  ? 752 ALA A CA   1 
ATOM   893  C C    . ALA A 1 157 ? -16.44563 -22.95683 -24.69369 1.000 66.09132  ? 752 ALA A C    1 
ATOM   894  O O    . ALA A 1 157 ? -16.82023 -23.73068 -25.57417 1.000 66.67802  ? 752 ALA A O    1 
ATOM   895  C CB   . ALA A 1 157 ? -18.25849 -21.42355 -23.96712 1.000 63.32803  ? 752 ALA A CB   1 
ATOM   896  N N    . THR A 1 158 ? -15.63812 -23.32541 -23.70637 1.000 69.00867  ? 753 THR A N    1 
ATOM   897  C CA   . THR A 1 158 ? -15.30602 -24.71849 -23.44700 1.000 72.29200  ? 753 THR A CA   1 
ATOM   898  C C    . THR A 1 158 ? -15.63754 -25.05216 -21.99653 1.000 76.09286  ? 753 THR A C    1 
ATOM   899  O O    . THR A 1 158 ? -15.75574 -24.16632 -21.14326 1.000 77.60515  ? 753 THR A O    1 
ATOM   900  C CB   . THR A 1 158 ? -13.82998 -25.02805 -23.73510 1.000 69.91357  ? 753 THR A CB   1 
ATOM   901  O OG1  . THR A 1 158 ? -12.99556 -24.07413 -23.07035 1.000 69.41741  ? 753 THR A OG1  1 
ATOM   902  C CG2  . THR A 1 158 ? -13.54997 -24.98063 -25.22328 1.000 62.47911  ? 753 THR A CG2  1 
ATOM   903  N N    . GLN A 1 159 ? -15.79097 -26.34682 -21.72429 1.000 76.60708  ? 754 GLN A N    1 
ATOM   904  C CA   . GLN A 1 159 ? -16.24264 -26.83566 -20.42703 1.000 79.62863  ? 754 GLN A CA   1 
ATOM   905  C C    . GLN A 1 159 ? -15.10606 -27.50876 -19.66939 1.000 78.80738  ? 754 GLN A C    1 
ATOM   906  O O    . GLN A 1 159 ? -14.20395 -28.10494 -20.26484 1.000 79.37917  ? 754 GLN A O    1 
ATOM   907  C CB   . GLN A 1 159 ? -17.39857 -27.83096 -20.57473 1.000 77.54071  ? 754 GLN A CB   1 
ATOM   908  C CG   . GLN A 1 159 ? -18.67232 -27.21371 -21.09830 1.000 83.10263  ? 754 GLN A CG   1 
ATOM   909  C CD   . GLN A 1 159 ? -18.56300 -26.80176 -22.54499 1.000 75.58769  ? 754 GLN A CD   1 
ATOM   910  O OE1  . GLN A 1 159 ? -18.50479 -27.64652 -23.43386 1.000 78.12742  ? 754 GLN A OE1  1 
ATOM   911  N NE2  . GLN A 1 159 ? -18.52540 -25.49756 -22.78836 1.000 72.35650  ? 754 GLN A NE2  1 
ATOM   912  N N    . ARG A 1 160 ? -15.16013 -27.41205 -18.34680 1.000 80.98465  ? 755 ARG A N    1 
ATOM   913  C CA   . ARG A 1 160 ? -14.21999 -28.11991 -17.49638 1.000 80.66561  ? 755 ARG A CA   1 
ATOM   914  C C    . ARG A 1 160 ? -14.75674 -29.51313 -17.19373 1.000 84.79296  ? 755 ARG A C    1 
ATOM   915  O O    . ARG A 1 160 ? -15.90435 -29.84809 -17.49578 1.000 87.58004  ? 755 ARG A O    1 
ATOM   916  C CB   . ARG A 1 160 ? -13.96541 -27.34087 -16.20442 1.000 76.31124  ? 755 ARG A CB   1 
ATOM   917  N N    . THR A 1 161 ? -13.90655 -30.34060 -16.59982 1.000 84.60561  ? 756 THR A N    1 
ATOM   918  C CA   . THR A 1 161 ? -14.31483 -31.66646 -16.15201 1.000 92.31803  ? 756 THR A CA   1 
ATOM   919  C C    . THR A 1 161 ? -13.89640 -31.83468 -14.69996 1.000 101.36612 ? 756 THR A C    1 
ATOM   920  O O    . THR A 1 161 ? -12.70679 -32.00070 -14.40644 1.000 105.82692 ? 756 THR A O    1 
ATOM   921  C CB   . THR A 1 161 ? -13.71584 -32.76638 -17.02485 1.000 90.01487  ? 756 THR A CB   1 
ATOM   922  O OG1  . THR A 1 161 ? -14.31269 -32.70279 -18.32201 1.000 89.71783  ? 756 THR A OG1  1 
ATOM   923  C CG2  . THR A 1 161 ? -13.98597 -34.15148 -16.40543 1.000 95.24096  ? 756 THR A CG2  1 
ATOM   924  N N    . GLU A 1 162 ? -14.87231 -31.78629 -13.79621 1.000 104.85587 ? 757 GLU A N    1 
ATOM   925  C CA   . GLU A 1 162 ? -14.59042 -32.00919 -12.39000 1.000 102.10002 ? 757 GLU A CA   1 
ATOM   926  C C    . GLU A 1 162 ? -14.00641 -33.40230 -12.19682 1.000 109.90646 ? 757 GLU A C    1 
ATOM   927  O O    . GLU A 1 162 ? -14.20637 -34.30149 -13.01826 1.000 111.97164 ? 757 GLU A O    1 
ATOM   928  C CB   . GLU A 1 162 ? -15.86590 -31.84149 -11.56253 1.000 106.47824 ? 757 GLU A CB   1 
ATOM   929  N N    . GLY A 1 163 ? -13.24593 -33.56536 -11.11430 1.000 113.37459 ? 758 GLY A N    1 
ATOM   930  C CA   . GLY A 1 163 ? -12.82220 -34.87987 -10.66526 1.000 118.56700 ? 758 GLY A CA   1 
ATOM   931  C C    . GLY A 1 163 ? -11.42001 -35.32603 -11.03223 1.000 120.03236 ? 758 GLY A C    1 
ATOM   932  O O    . GLY A 1 163 ? -10.74394 -35.97364 -10.23172 1.000 124.15080 ? 758 GLY A O    1 
ATOM   933  N N    . VAL A 1 164 ? -10.96949 -34.99749 -12.23612 1.000 130.59498 ? 759 VAL A N    1 
ATOM   934  C CA   . VAL A 1 164 ? -9.74652  -35.57647 -12.78103 1.000 130.91373 ? 759 VAL A CA   1 
ATOM   935  C C    . VAL A 1 164 ? -8.50749  -34.83942 -12.28563 1.000 128.77410 ? 759 VAL A C    1 
ATOM   936  O O    . VAL A 1 164 ? -7.48856  -34.79381 -12.98481 1.000 126.79904 ? 759 VAL A O    1 
ATOM   937  C CB   . VAL A 1 164 ? -9.79413  -35.56927 -14.31993 1.000 128.98217 ? 759 VAL A CB   1 
ATOM   938  N N    . SER A 1 165 ? -8.56666  -34.26976 -11.08241 1.000 121.02518 ? 760 SER A N    1 
ATOM   939  C CA   . SER A 1 165 ? -7.52422  -33.35013 -10.63485 1.000 119.22762 ? 760 SER A CA   1 
ATOM   940  C C    . SER A 1 165 ? -6.45693  -34.05711 -9.80797  1.000 126.28873 ? 760 SER A C    1 
ATOM   941  O O    . SER A 1 165 ? -6.75164  -34.93788 -8.99392  1.000 133.42111 ? 760 SER A O    1 
ATOM   942  C CB   . SER A 1 165 ? -8.12422  -32.19424 -9.82932  1.000 119.84321 ? 760 SER A CB   1 
ATOM   943  O OG   . SER A 1 165 ? -7.35664  -31.92146 -8.66880  1.000 126.18993 ? 760 SER A OG   1 
ATOM   944  N N    . THR A 1 166 ? -5.20884  -33.64175 -10.02692 1.000 106.66040 ? 761 THR A N    1 
ATOM   945  C CA   . THR A 1 166 ? -4.06092  -34.16799 -9.29391  1.000 103.63967 ? 761 THR A CA   1 
ATOM   946  C C    . THR A 1 166 ? -4.31606  -34.18569 -7.79047  1.000 95.89154  ? 761 THR A C    1 
ATOM   947  O O    . THR A 1 166 ? -4.33382  -35.24664 -7.15931  1.000 95.13858  ? 761 THR A O    1 
ATOM   948  C CB   . THR A 1 166 ? -2.82143  -33.33009 -9.63356  1.000 101.11796 ? 761 THR A CB   1 
ATOM   949  O OG1  . THR A 1 166 ? -2.53352  -33.43743 -11.04056 1.000 90.88705  ? 761 THR A OG1  1 
ATOM   950  C CG2  . THR A 1 166 ? -1.62226  -33.80140 -8.83938  1.000 96.86480  ? 761 THR A CG2  1 
ATOM   951  N N    . THR A 1 167 ? -4.49570  -33.01001 -7.20115  1.000 94.88137  ? 762 THR A N    1 
ATOM   952  C CA   . THR A 1 167 ? -4.98005  -32.88405 -5.83317  1.000 93.61855  ? 762 THR A CA   1 
ATOM   953  C C    . THR A 1 167 ? -5.87616  -34.04716 -5.42420  1.000 93.16801  ? 762 THR A C    1 
ATOM   954  O O    . THR A 1 167 ? -5.59811  -34.74826 -4.44539  1.000 89.69550  ? 762 THR A O    1 
ATOM   955  C CB   . THR A 1 167 ? -5.75878  -31.57525 -5.68801  1.000 97.46445  ? 762 THR A CB   1 
ATOM   956  O OG1  . THR A 1 167 ? -4.91460  -30.47090 -6.04596  1.000 95.21915  ? 762 THR A OG1  1 
ATOM   957  C CG2  . THR A 1 167 ? -6.28698  -31.41584 -4.26282  1.000 94.79357  ? 762 THR A CG2  1 
ATOM   958  N N    . ASP A 1 168 ? -6.95640  -34.26059 -6.17920  1.000 94.99356  ? 763 ASP A N    1 
ATOM   959  C CA   . ASP A 1 168 ? -7.92846  -35.28968 -5.82797  1.000 93.11048  ? 763 ASP A CA   1 
ATOM   960  C C    . ASP A 1 168 ? -7.29447  -36.66648 -5.73008  1.000 90.74390  ? 763 ASP A C    1 
ATOM   961  O O    . ASP A 1 168 ? -7.82376  -37.54102 -5.03139  1.000 87.05347  ? 763 ASP A O    1 
ATOM   962  C CB   . ASP A 1 168 ? -9.05717  -35.28667 -6.85523  1.000 99.67549  ? 763 ASP A CB   1 
ATOM   963  C CG   . ASP A 1 168 ? -9.47903  -33.87758 -7.23627  1.000 104.16248 ? 763 ASP A CG   1 
ATOM   964  O OD1  . ASP A 1 168 ? -8.77340  -32.92742 -6.83594  1.000 102.54095 ? 763 ASP A OD1  1 
ATOM   965  O OD2  . ASP A 1 168 ? -10.50722 -33.71139 -7.92648  1.000 109.04847 ? 763 ASP A OD2  1 
ATOM   966  N N    . LEU A 1 169 ? -6.15976  -36.86562 -6.39892  1.000 89.33160  ? 764 LEU A N    1 
ATOM   967  C CA   . LEU A 1 169 ? -5.50222  -38.16382 -6.40380  1.000 83.00334  ? 764 LEU A CA   1 
ATOM   968  C C    . LEU A 1 169 ? -4.64549  -38.37004 -5.16073  1.000 81.92622  ? 764 LEU A C    1 
ATOM   969  O O    . LEU A 1 169 ? -4.56433  -39.49231 -4.64729  1.000 84.72491  ? 764 LEU A O    1 
ATOM   970  C CB   . LEU A 1 169 ? -4.66069  -38.30666 -7.66838  1.000 87.86369  ? 764 LEU A CB   1 
ATOM   971  N N    . ILE A 1 170 ? -3.98474  -37.31570 -4.66921  1.000 78.93904  ? 765 ILE A N    1 
ATOM   972  C CA   . ILE A 1 170 ? -3.30830  -37.43176 -3.38164  1.000 82.83740  ? 765 ILE A CA   1 
ATOM   973  C C    . ILE A 1 170 ? -4.29257  -37.95571 -2.34900  1.000 85.82051  ? 765 ILE A C    1 
ATOM   974  O O    . ILE A 1 170 ? -4.01132  -38.90961 -1.61608  1.000 89.14623  ? 765 ILE A O    1 
ATOM   975  C CB   . ILE A 1 170 ? -2.70672  -36.08216 -2.95406  1.000 75.85757  ? 765 ILE A CB   1 
ATOM   976  N N    . VAL A 1 171 ? -5.48748  -37.36170 -2.31614  1.000 80.62657  ? 766 VAL A N    1 
ATOM   977  C CA   . VAL A 1 171 ? -6.55392  -37.86726 -1.45454  1.000 83.97753  ? 766 VAL A CA   1 
ATOM   978  C C    . VAL A 1 171 ? -6.61152  -39.38537 -1.54209  1.000 88.12325  ? 766 VAL A C    1 
ATOM   979  O O    . VAL A 1 171 ? -6.41385  -40.09864 -0.55155  1.000 90.37530  ? 766 VAL A O    1 
ATOM   980  C CB   . VAL A 1 171 ? -7.90327  -37.23834 -1.84090  1.000 80.44475  ? 766 VAL A CB   1 
ATOM   981  C CG1  . VAL A 1 171 ? -8.97440  -37.71201 -0.90061  1.000 81.81323  ? 766 VAL A CG1  1 
ATOM   982  C CG2  . VAL A 1 171 ? -7.80977  -35.72249 -1.83786  1.000 78.88048  ? 766 VAL A CG2  1 
ATOM   983  N N    . ARG A 1 172 ? -6.84174  -39.89573 -2.75236  1.000 86.14235  ? 767 ARG A N    1 
ATOM   984  C CA   . ARG A 1 172 ? -6.97335  -41.33043 -2.96454  1.000 85.59248  ? 767 ARG A CA   1 
ATOM   985  C C    . ARG A 1 172 ? -5.78217  -42.09227 -2.40477  1.000 89.10751  ? 767 ARG A C    1 
ATOM   986  O O    . ARG A 1 172 ? -5.94717  -43.09967 -1.70848  1.000 94.02083  ? 767 ARG A O    1 
ATOM   987  C CB   . ARG A 1 172 ? -7.14549  -41.59664 -4.45651  1.000 87.09364  ? 767 ARG A CB   1 
ATOM   988  C CG   . ARG A 1 172 ? -8.45211  -41.04138 -4.97721  1.000 89.63175  ? 767 ARG A CG   1 
ATOM   989  C CD   . ARG A 1 172 ? -8.51233  -40.88603 -6.49954  1.000 92.50185  ? 767 ARG A CD   1 
ATOM   990  N NE   . ARG A 1 172 ? -8.21169  -42.08144 -7.28134  1.000 85.93733  ? 767 ARG A NE   1 
ATOM   991  C CZ   . ARG A 1 172 ? -8.69527  -42.29706 -8.49722  1.000 88.54727  ? 767 ARG A CZ   1 
ATOM   992  N NH1  . ARG A 1 172 ? -9.57984  -41.47820 -9.04121  1.000 90.16276  ? 767 ARG A NH1  1 
ATOM   993  N NH2  . ARG A 1 172 ? -8.27421  -43.35037 -9.18814  1.000 90.09577  ? 767 ARG A NH2  1 
ATOM   994  N N    . ILE A 1 173 ? -4.56711  -41.61907 -2.69162  1.000 88.76363  ? 768 ILE A N    1 
ATOM   995  C CA   . ILE A 1 173 ? -3.38186  -42.24975 -2.11609  1.000 91.66508  ? 768 ILE A CA   1 
ATOM   996  C C    . ILE A 1 173 ? -3.49290  -42.30665 -0.60437  1.000 98.19214  ? 768 ILE A C    1 
ATOM   997  O O    . ILE A 1 173 ? -2.90947  -43.18902 0.03645   1.000 103.80308 ? 768 ILE A O    1 
ATOM   998  C CB   . ILE A 1 173 ? -2.09857  -41.51046 -2.55385  1.000 87.92559  ? 768 ILE A CB   1 
ATOM   999  N N    . LEU A 1 174 ? -4.25170  -41.38658 -0.00929  1.000 96.45676  ? 769 LEU A N    1 
ATOM   1000 C CA   . LEU A 1 174 ? -4.27784  -41.26847 1.43984   1.000 99.58495  ? 769 LEU A CA   1 
ATOM   1001 C C    . LEU A 1 174 ? -5.30149  -42.18557 2.09366   1.000 107.56097 ? 769 LEU A C    1 
ATOM   1002 O O    . LEU A 1 174 ? -5.09302  -42.60652 3.23814   1.000 105.74328 ? 769 LEU A O    1 
ATOM   1003 C CB   . LEU A 1 174 ? -4.52662  -39.81251 1.83777   1.000 95.12335  ? 769 LEU A CB   1 
ATOM   1004 C CG   . LEU A 1 174 ? -3.34124  -38.89608 1.50449   1.000 92.23247  ? 769 LEU A CG   1 
ATOM   1005 C CD1  . LEU A 1 174 ? -3.57248  -37.47817 1.99901   1.000 81.28436  ? 769 LEU A CD1  1 
ATOM   1006 C CD2  . LEU A 1 174 ? -2.04575  -39.45907 2.08219   1.000 85.40358  ? 769 LEU A CD2  1 
ATOM   1007 N N    . LYS A 1 175 ? -6.38299  -42.53581 1.38704   1.000 115.30475 ? 770 LYS A N    1 
ATOM   1008 C CA   . LYS A 1 175 ? -7.38206  -43.42891 1.96880   1.000 121.21006 ? 770 LYS A CA   1 
ATOM   1009 C C    . LYS A 1 175 ? -6.77872  -44.76966 2.37926   1.000 122.72688 ? 770 LYS A C    1 
ATOM   1010 O O    . LYS A 1 175 ? -7.23255  -45.37838 3.35947   1.000 124.01403 ? 770 LYS A O    1 
ATOM   1011 C CB   . LYS A 1 175 ? -8.53771  -43.64113 0.99274   1.000 125.83770 ? 770 LYS A CB   1 
ATOM   1012 N N    . ASN A 1 176 ? -5.74952  -45.23792 1.65707   1.000 116.76126 ? 771 ASN A N    1 
ATOM   1013 C CA   . ASN A 1 176 ? -5.04977  -46.47996 1.99808   1.000 118.59719 ? 771 ASN A CA   1 
ATOM   1014 C C    . ASN A 1 176 ? -4.44136  -46.44769 3.40167   1.000 117.64480 ? 771 ASN A C    1 
ATOM   1015 O O    . ASN A 1 176 ? -4.04082  -47.50203 3.92029   1.000 113.16685 ? 771 ASN A O    1 
ATOM   1016 C CB   . ASN A 1 176 ? -3.97034  -46.76622 0.93800   1.000 116.30548 ? 771 ASN A CB   1 
ATOM   1017 C CG   . ASN A 1 176 ? -3.30567  -48.13286 1.11016   1.000 120.60055 ? 771 ASN A CG   1 
ATOM   1018 O OD1  . ASN A 1 176 ? -3.93811  -49.10680 1.52482   1.000 119.57116 ? 771 ASN A OD1  1 
ATOM   1019 N ND2  . ASN A 1 176 ? -2.01526  -48.20354 0.78381   1.000 121.63368 ? 771 ASN A ND2  1 
ATOM   1020 N N    . TYR A 1 177 ? -4.38525  -45.27043 4.03180   1.000 115.81922 ? 772 TYR A N    1 
ATOM   1021 C CA   . TYR A 1 177 ? -3.94341  -45.12047 5.41214   1.000 109.55575 ? 772 TYR A CA   1 
ATOM   1022 C C    . TYR A 1 177 ? -4.97241  -44.34344 6.24101   1.000 112.09035 ? 772 TYR A C    1 
ATOM   1023 O O    . TYR A 1 177 ? -4.60418  -43.59284 7.15090   1.000 114.49908 ? 772 TYR A O    1 
ATOM   1024 C CB   . TYR A 1 177 ? -2.57029  -44.44630 5.46648   1.000 103.84684 ? 772 TYR A CB   1 
ATOM   1025 C CG   . TYR A 1 177 ? -1.64197  -44.87151 4.33997   1.000 110.20425 ? 772 TYR A CG   1 
ATOM   1026 C CD1  . TYR A 1 177 ? -0.81945  -45.98251 4.46841   1.000 109.75901 ? 772 TYR A CD1  1 
ATOM   1027 C CD2  . TYR A 1 177 ? -1.59485  -44.16409 3.14819   1.000 108.13188 ? 772 TYR A CD2  1 
ATOM   1028 C CE1  . TYR A 1 177 ? 0.02834   -46.37247 3.44908   1.000 108.79422 ? 772 TYR A CE1  1 
ATOM   1029 C CE2  . TYR A 1 177 ? -0.74875  -44.55193 2.11490   1.000 115.36828 ? 772 TYR A CE2  1 
ATOM   1030 C CZ   . TYR A 1 177 ? 0.06113   -45.66338 2.26716   1.000 116.82248 ? 772 TYR A CZ   1 
ATOM   1031 O OH   . TYR A 1 177 ? 0.90059   -46.06473 1.23258   1.000 116.76679 ? 772 TYR A OH   1 
ATOM   1032 N N    . GLU A 1 178 ? -6.26796  -44.51186 5.94677   1.000 112.67402 ? 773 GLU A N    1 
ATOM   1033 C CA   . GLU A 1 178 ? -7.31157  -43.90649 6.77083   1.000 107.16737 ? 773 GLU A CA   1 
ATOM   1034 C C    . GLU A 1 178 ? -7.25347  -44.46983 8.18822   1.000 110.60592 ? 773 GLU A C    1 
ATOM   1035 O O    . GLU A 1 178 ? -7.09260  -45.67780 8.38390   1.000 111.35007 ? 773 GLU A O    1 
ATOM   1036 C CB   . GLU A 1 178 ? -8.69236  -44.15408 6.15335   1.000 102.26927 ? 773 GLU A CB   1 
ATOM   1037 N N    . ASP A 1 179 ? -7.38286  -43.58760 9.18196   1.000 109.98278 ? 774 ASP A N    1 
ATOM   1038 C CA   . ASP A 1 179 ? -7.22329  -43.97987 10.58665  1.000 106.17356 ? 774 ASP A CA   1 
ATOM   1039 C C    . ASP A 1 179 ? -8.13291  -45.13917 10.97845  1.000 112.57245 ? 774 ASP A C    1 
ATOM   1040 O O    . ASP A 1 179 ? -7.81108  -45.90422 11.88766  1.000 116.60692 ? 774 ASP A O    1 
ATOM   1041 C CB   . ASP A 1 179 ? -7.48408  -42.79132 11.51548  1.000 105.85295 ? 774 ASP A CB   1 
HETATM 1042 O O01  . XJJ B 2 .   ? -7.32295  -13.56746 -16.99897 1.000 79.81918  ? 801 XJJ A O01  1 
HETATM 1043 C C02  . XJJ B 2 .   ? -6.97511  -14.69202 -17.40535 1.000 80.92049  ? 801 XJJ A C02  1 
HETATM 1044 C C03  . XJJ B 2 .   ? -5.66946  -15.41396 -17.10354 1.000 72.82159  ? 801 XJJ A C03  1 
HETATM 1045 N N04  . XJJ B 2 .   ? -5.95332  -16.75070 -16.55455 1.000 73.24458  ? 801 XJJ A N04  1 
HETATM 1046 C C05  . XJJ B 2 .   ? -6.60489  -17.57175 -17.57517 1.000 77.80379  ? 801 XJJ A C05  1 
HETATM 1047 C C06  . XJJ B 2 .   ? -7.34737  -16.75721 -18.68044 1.000 79.44557  ? 801 XJJ A C06  1 
HETATM 1048 N N07  . XJJ B 2 .   ? -7.79739  -15.45739 -18.22588 1.000 88.76219  ? 801 XJJ A N07  1 
HETATM 1049 H H031 . XJJ B 2 .   ? -5.04441  -14.82917 -16.39370 1.000 87.40780  ? 801 XJJ A H031 1 
HETATM 1050 H H032 . XJJ B 2 .   ? -5.03852  -15.49649 -18.01549 1.000 87.40780  ? 801 XJJ A H032 1 
HETATM 1051 H H041 . XJJ B 2 .   ? -6.51408  -16.68193 -15.69930 1.000 87.91539  ? 801 XJJ A H041 1 
HETATM 1052 H H051 . XJJ B 2 .   ? -5.83396  -18.23072 -18.03121 1.000 93.38643  ? 801 XJJ A H051 1 
HETATM 1053 H H052 . XJJ B 2 .   ? -7.30995  -18.26267 -17.06325 1.000 93.38643  ? 801 XJJ A H052 1 
HETATM 1054 H H061 . XJJ B 2 .   ? -6.69081  -16.62900 -19.56872 1.000 95.35658  ? 801 XJJ A H061 1 
HETATM 1055 H H062 . XJJ B 2 .   ? -8.21745  -17.33439 -19.06302 1.000 95.35658  ? 801 XJJ A H062 1 
HETATM 1056 H H071 . XJJ B 2 .   ? -8.36478  -14.94365 -18.89704 1.000 106.53652 ? 801 XJJ A H071 1 
HETATM 1057 O O    . HOH C 3 .   ? 3.02134   -12.28525 -18.67809 1.000 63.23641  ? 901 HOH A O    1 
HETATM 1058 O O    . HOH C 3 .   ? -3.72767  -14.01911 -22.84273 1.000 56.35280  ? 902 HOH A O    1 
HETATM 1059 O O    . HOH C 3 .   ? -3.37251  -9.61757  -24.50407 1.000 56.05144  ? 903 HOH A O    1 
HETATM 1060 O O    . HOH C 3 .   ? 0.00142   -8.81019  -18.95884 1.000 59.49284  ? 904 HOH A O    1 
HETATM 1061 O O    . HOH C 3 .   ? -7.46717  -24.65610 -22.40755 1.000 50.54651  ? 905 HOH A O    1 
HETATM 1062 O O    . HOH C 3 .   ? -15.04735 -28.88128 -29.91512 1.000 52.94627  ? 906 HOH A O    1 
HETATM 1063 O O    . HOH C 3 .   ? -11.95764 -25.02657 -40.39118 1.000 55.25652  ? 907 HOH A O    1 
HETATM 1064 O O    . HOH C 3 .   ? -18.23752 -23.34597 -27.97678 1.000 60.32143  ? 908 HOH A O    1 
HETATM 1065 O O    . HOH C 3 .   ? -9.62363  -29.86471 -35.96721 1.000 48.45125  ? 909 HOH A O    1 
HETATM 1066 O O    . HOH C 3 .   ? -12.52275 -30.59548 -19.16765 1.000 68.52206  ? 910 HOH A O    1 
HETATM 1067 O O    . HOH C 3 .   ? 7.19155   -15.94324 -15.02911 1.000 58.19498  ? 911 HOH A O    1 
HETATM 1068 O O    . HOH C 3 .   ? -11.39118 -37.42253 -24.74360 1.000 60.30873  ? 912 HOH A O    1 
HETATM 1069 O O    . HOH C 3 .   ? -2.68778  -7.92318  -19.84211 1.000 61.88230  ? 913 HOH A O    1 
HETATM 1070 O O    . HOH C 3 .   ? -7.43055  -29.16659 -37.29387 1.000 52.63632  ? 914 HOH A O    1 
HETATM 1071 O O    . HOH C 3 .   ? -9.60667  -24.66784 -23.67300 1.000 59.62629  ? 915 HOH A O    1 
HETATM 1072 O O    . HOH C 3 .   ? 3.43559   -18.24574 -31.78159 1.000 54.01829  ? 916 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  ? 1.28850 1.01517 0.61362 0.22845  -0.00345 -0.05818 616 LYS A N   
2    C CA  . LYS A 39  ? 1.26430 0.89150 0.59330 0.20033  -0.04762 -0.09405 616 LYS A CA  
3    C C   . LYS A 39  ? 1.17740 0.83022 0.59362 0.18691  -0.02415 -0.09559 616 LYS A C   
4    O O   . LYS A 39  ? 1.19441 0.79494 0.64711 0.15291  -0.05330 -0.11013 616 LYS A O   
5    C CB  . LYS A 39  ? 1.37802 0.88679 0.55720 0.24485  -0.08677 -0.14111 616 LYS A CB  
6    C CG  . LYS A 39  ? 1.41943 0.82017 0.60454 0.20868  -0.14467 -0.16796 616 LYS A CG  
7    C CD  . LYS A 39  ? 1.50602 0.78281 0.55595 0.24160  -0.19854 -0.20554 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.55811 0.85063 0.52573 0.27140  -0.19634 -0.20067 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.81693 1.01811 0.69234 0.30856  -0.23451 -0.22671 616 LYS A NZ  
10   N N   . ASN A 40  ? 1.10465 0.84558 0.55865 0.21039  0.02603  -0.07369 617 ASN A N   
11   C CA  . ASN A 40  ? 1.00405 0.76570 0.52178 0.20518  0.04563  -0.07642 617 ASN A CA  
12   C C   . ASN A 40  ? 0.93682 0.75254 0.58226 0.14922  0.05220  -0.05158 617 ASN A C   
13   O O   . ASN A 40  ? 0.93510 0.81275 0.63392 0.13076  0.06321  -0.01835 617 ASN A O   
14   C CB  . ASN A 40  ? 1.02632 0.85611 0.52254 0.26005  0.09085  -0.06219 617 ASN A CB  
15   C CG  . ASN A 40  ? 0.97993 0.83440 0.54442 0.25197  0.10675  -0.06035 617 ASN A CG  
16   O OD1 . ASN A 40  ? 1.03114 0.82268 0.55471 0.27388  0.09541  -0.09097 617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.87880 0.81741 0.54613 0.21815  0.12620  -0.02333 617 ASN A ND2 
18   N N   . VAL A 41  ? 0.90071 0.68999 0.58963 0.12584  0.04337  -0.06719 618 VAL A N   
19   C CA  . VAL A 41  ? 0.84586 0.66527 0.63372 0.08038  0.04325  -0.05584 618 VAL A CA  
20   C C   . VAL A 41  ? 0.78185 0.63815 0.61269 0.08201  0.06585  -0.05296 618 VAL A C   
21   O O   . VAL A 41  ? 0.79647 0.62388 0.59489 0.09970  0.06580  -0.06977 618 VAL A O   
22   C CB  . VAL A 41  ? 0.83619 0.60187 0.63663 0.04941  0.01025  -0.07066 618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.71833 0.52135 0.60988 0.01634  0.01519  -0.06068 618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.86873 0.59264 0.62130 0.04680  -0.02055 -0.07102 618 VAL A CG2 
25   N N   . VAL A 42  ? 0.70201 0.61400 0.60444 0.06191  0.07792  -0.03066 619 VAL A N   
26   C CA  . VAL A 42  ? 0.68420 0.62976 0.62967 0.05680  0.09067  -0.02471 619 VAL A CA  
27   C C   . VAL A 42  ? 0.68670 0.60787 0.66893 0.02843  0.07839  -0.04415 619 VAL A C   
28   O O   . VAL A 42  ? 0.67562 0.59589 0.69696 0.00762  0.06877  -0.04375 619 VAL A O   
29   C CB  . VAL A 42  ? 0.60475 0.61694 0.60343 0.04847  0.09998  0.01408  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.53316 0.57705 0.56961 0.04282  0.10541  0.02371  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.57837 0.63318 0.54095 0.07957  0.11719  0.04187  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.66503 0.56981 0.63230 0.03262  0.07961  -0.05898 620 ILE A N   
33   C CA  . ILE A 43  ? 0.66001 0.55639 0.65258 0.01242  0.07391  -0.07246 620 ILE A CA  
34   C C   . ILE A 43  ? 0.62602 0.55242 0.64346 0.00871  0.08092  -0.06767 620 ILE A C   
35   O O   . ILE A 43  ? 0.62410 0.56879 0.63127 0.02411  0.08897  -0.05614 620 ILE A O   
36   C CB  . ILE A 43  ? 0.68771 0.54616 0.64671 0.01380  0.06346  -0.08325 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.68777 0.50306 0.60945 0.01778  0.04484  -0.08584 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.64636 0.51646 0.63464 -0.00628 0.06213  -0.08682 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.68597 0.50909 0.63903 -0.00061 0.03667  -0.08047 620 ILE A CD1 
40   N N   . TYR A 44  ? 0.60999 0.54000 0.65557 -0.00778 0.07563  -0.07693 621 TYR A N   
41   C CA  . TYR A 44  ? 0.62819 0.57442 0.68848 -0.01501 0.07183  -0.07548 621 TYR A CA  
42   C C   . TYR A 44  ? 0.64231 0.58055 0.68830 -0.01890 0.07182  -0.09498 621 TYR A C   
43   O O   . TYR A 44  ? 0.62789 0.55894 0.67657 -0.01944 0.07234  -0.10975 621 TYR A O   
44   C CB  . TYR A 44  ? 0.58180 0.53058 0.67751 -0.02842 0.05621  -0.06848 621 TYR A CB  
45   C CG  . TYR A 44  ? 0.57443 0.52474 0.67970 -0.04082 0.03927  -0.06935 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.57968 0.56431 0.70109 -0.04540 0.03634  -0.04077 621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.62137 0.53956 0.71545 -0.04419 0.02420  -0.09827 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.59290 0.57650 0.72474 -0.06258 0.01163  -0.03767 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.60998 0.51639 0.69830 -0.05545 0.00014  -0.10353 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.64175 0.57916 0.75162 -0.06940 -0.00966 -0.07154 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.65127 0.57508 0.75722 -0.08618 -0.04218 -0.07254 621 TYR A OH  
52   N N   . ALA A 45  ? 0.61127 0.55919 0.64338 -0.01822 0.07285  -0.09060 622 ALA A N   
53   C CA  . ALA A 45  ? 0.64384 0.59494 0.65842 -0.02235 0.07322  -0.10163 622 ALA A CA  
54   C C   . ALA A 45  ? 0.64035 0.60215 0.65244 -0.02893 0.06171  -0.09870 622 ALA A C   
55   O O   . ALA A 45  ? 0.65097 0.62690 0.67250 -0.02747 0.05952  -0.07879 622 ALA A O   
56   C CB  . ALA A 45  ? 0.62836 0.57604 0.62603 -0.02052 0.07794  -0.09227 622 ALA A CB  
57   N N   . ASP A 46  ? 0.67497 0.62989 0.67166 -0.03249 0.05224  -0.11805 623 ASP A N   
58   C CA  . ASP A 46  ? 0.67190 0.62657 0.65746 -0.04245 0.03106  -0.11801 623 ASP A CA  
59   C C   . ASP A 46  ? 0.73488 0.69883 0.67652 -0.03798 0.03590  -0.12980 623 ASP A C   
60   O O   . ASP A 46  ? 0.74854 0.72396 0.67386 -0.02648 0.05564  -0.13834 623 ASP A O   
61   C CB  . ASP A 46  ? 0.72923 0.65119 0.72045 -0.05023 0.00207  -0.13294 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.80584 0.69834 0.76784 -0.03231 0.00520  -0.16942 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.89005 0.80466 0.82939 -0.01592 0.03235  -0.17776 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.83385 0.68337 0.79849 -0.03287 -0.02140 -0.18592 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.75425 0.72178 0.67997 -0.04823 0.01616  -0.12395 624 GLY A N   
66   C CA  . GLY A 47  ? 0.72426 0.70611 0.60192 -0.04492 0.01818  -0.13001 624 GLY A CA  
67   C C   . GLY A 47  ? 0.74227 0.72615 0.61140 -0.06121 -0.01123 -0.11658 624 GLY A C   
68   O O   . GLY A 47  ? 0.74809 0.72874 0.65666 -0.07538 -0.03263 -0.09904 624 GLY A O   
69   N N   . VAL A 48  ? 0.75052 0.74896 0.57019 -0.05968 -0.01292 -0.11884 625 VAL A N   
70   C CA  . VAL A 48  ? 0.69787 0.70265 0.50840 -0.07704 -0.04322 -0.10094 625 VAL A CA  
71   C C   . VAL A 48  ? 0.65119 0.69028 0.50623 -0.08233 -0.03276 -0.05882 625 VAL A C   
72   O O   . VAL A 48  ? 0.70157 0.75282 0.58773 -0.09428 -0.05463 -0.03264 625 VAL A O   
73   C CB  . VAL A 48  ? 0.79662 0.80179 0.52485 -0.07091 -0.05263 -0.12022 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.79817 0.80801 0.51703 -0.09292 -0.09067 -0.09860 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.85261 0.80941 0.52437 -0.05311 -0.06563 -0.17033 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.64848 0.70154 0.50867 -0.07237 -0.00389 -0.04923 626 TYR A N   
77   C CA  . TYR A 49  ? 0.67517 0.74051 0.56711 -0.07159 0.00028  -0.01475 626 TYR A CA  
78   C C   . TYR A 49  ? 0.70917 0.79483 0.59072 -0.08265 -0.02144 0.01087  626 TYR A C   
79   O O   . TYR A 49  ? 0.76377 0.85605 0.68143 -0.07897 -0.02895 0.03954  626 TYR A O   
80   C CB  . TYR A 49  ? 0.66703 0.72267 0.60931 -0.06027 0.00438  -0.00616 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.63298 0.66824 0.58069 -0.05072 0.02384  -0.02674 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.61614 0.63836 0.55682 -0.04573 0.03709  -0.02539 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.64490 0.67282 0.60699 -0.05147 0.02228  -0.04289 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.62504 0.63046 0.57194 -0.03998 0.04970  -0.04082 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.64774 0.65875 0.61506 -0.04365 0.03775  -0.05884 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.61005 0.61156 0.56891 -0.03722 0.05212  -0.05853 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.60134 0.58796 0.56776 -0.03203 0.06248  -0.07046 626 TYR A OH  
88   N N   . ASP A 50  ? 0.70821 0.80443 0.53562 -0.09135 -0.03197 0.00079  627 ASP A N   
89   C CA  . ASP A 50  ? 0.70647 0.82277 0.51691 -0.10456 -0.05695 0.02648  627 ASP A CA  
90   C C   . ASP A 50  ? 0.73648 0.87292 0.55725 -0.10545 -0.04742 0.06354  627 ASP A C   
91   O O   . ASP A 50  ? 0.77715 0.92322 0.58427 -0.10283 -0.02599 0.06568  627 ASP A O   
92   C CB  . ASP A 50  ? 0.77055 0.88616 0.50130 -0.10858 -0.07249 0.00065  627 ASP A CB  
93   C CG  . ASP A 50  ? 0.81922 0.94716 0.52698 -0.12625 -0.10984 0.02277  627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.80186 0.94163 0.56904 -0.13604 -0.12544 0.05833  627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.93878 1.06682 0.56484 -0.12642 -0.12397 0.00531  627 ASP A OD2 
96   N N   . MET A 51  ? 0.72353 0.86728 0.57602 -0.10983 -0.06729 0.09839  628 MET A N   
97   C CA  . MET A 51  ? 0.69961 0.84852 0.56647 -0.11160 -0.07015 0.13779  628 MET A CA  
98   C C   . MET A 51  ? 0.68881 0.81067 0.57497 -0.10258 -0.05116 0.13737  628 MET A C   
99   O O   . MET A 51  ? 0.77331 0.90995 0.64172 -0.11464 -0.04470 0.15314  628 MET A O   
100  C CB  . MET A 51  ? 0.75041 0.93613 0.56471 -0.12999 -0.07926 0.15831  628 MET A CB  
101  C CG  . MET A 51  ? 0.78899 0.99187 0.58060 -0.14164 -0.11029 0.16608  628 MET A CG  
102  S SD  . MET A 51  ? 1.08370 1.33277 0.79508 -0.15865 -0.12116 0.18959  628 MET A SD  
103  C CE  . MET A 51  ? 0.95646 1.21256 0.58608 -0.14342 -0.09206 0.13573  628 MET A CE  
104  N N   . LEU A 52  ? 0.72537 0.81176 0.64799 -0.08169 -0.04557 0.12523  629 LEU A N   
105  C CA  . LEU A 52  ? 0.75385 0.80303 0.68418 -0.07289 -0.03287 0.11368  629 LEU A CA  
106  C C   . LEU A 52  ? 0.77915 0.80528 0.71325 -0.08362 -0.05010 0.14804  629 LEU A C   
107  O O   . LEU A 52  ? 0.79510 0.80550 0.74178 -0.08003 -0.07309 0.17680  629 LEU A O   
108  C CB  . LEU A 52  ? 0.71918 0.73475 0.67566 -0.04210 -0.02748 0.09760  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.73113 0.70869 0.68477 -0.03088 -0.01389 0.07272  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.70241 0.70509 0.65150 -0.03778 0.00573  0.04423  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.72582 0.66467 0.69066 0.00816  -0.01470 0.06808  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.77889 0.80234 0.70894 -0.09790 -0.04355 0.15014  630 HIS A N   
113  C CA  . HIS A 53  ? 0.80727 0.81201 0.74954 -0.11866 -0.06787 0.19266  630 HIS A CA  
114  C C   . HIS A 53  ? 0.77478 0.73264 0.72909 -0.12069 -0.07294 0.18404  630 HIS A C   
115  O O   . HIS A 53  ? 0.78443 0.72993 0.73431 -0.10403 -0.05337 0.14470  630 HIS A O   
116  C CB  . HIS A 53  ? 0.81699 0.89983 0.74730 -0.14817 -0.06251 0.23166  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.88371 1.03001 0.79093 -0.14737 -0.02607 0.20943  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.92927 1.10637 0.85178 -0.15917 -0.01350 0.22534  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.90967 1.08977 0.77919 -0.13297 -0.00392 0.17315  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.90115 1.13207 0.79564 -0.14471 0.02098  0.19727  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.90046 1.12495 0.75711 -0.12862 0.02446  0.16198  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.78240 0.76581 0.82821 -0.03812 0.11565  0.11272  631 LEU A N   
123  C CA  . LEU A 54  ? 0.73683 0.70135 0.82524 -0.04592 0.10630  0.10859  631 LEU A CA  
124  C C   . LEU A 54  ? 0.75801 0.74472 0.86072 -0.04895 0.11729  0.09447  631 LEU A C   
125  O O   . LEU A 54  ? 0.72525 0.69801 0.85039 -0.05066 0.10431  0.07903  631 LEU A O   
126  C CB  . LEU A 54  ? 0.69776 0.65401 0.82196 -0.05931 0.10461  0.14207  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.73279 0.66500 0.90798 -0.07122 0.08843  0.14145  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.74613 0.63602 0.91555 -0.06195 0.06304  0.11345  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.67563 0.60121 0.88978 -0.08663 0.08695  0.18058  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.74455 0.76594 0.83310 -0.04788 0.14025  0.09839  632 GLY A N   
131  C CA  . GLY A 55  ? 0.70845 0.75081 0.81407 -0.04662 0.15208  0.08342  632 GLY A CA  
132  C C   . GLY A 55  ? 0.72264 0.75307 0.81469 -0.03747 0.14100  0.05302  632 GLY A C   
133  O O   . GLY A 55  ? 0.74390 0.77501 0.86447 -0.03829 0.13649  0.04281  632 GLY A O   
134  N N   . HIS A 56  ? 0.71911 0.74191 0.77134 -0.02950 0.13580  0.04182  633 HIS A N   
135  C CA  . HIS A 56  ? 0.66456 0.67750 0.70863 -0.02291 0.12478  0.01921  633 HIS A CA  
136  C C   . HIS A 56  ? 0.69177 0.68164 0.75248 -0.02399 0.10565  0.01605  633 HIS A C   
137  O O   . HIS A 56  ? 0.69086 0.67847 0.76167 -0.02243 0.09833  0.00392  633 HIS A O   
138  C CB  . HIS A 56  ? 0.69144 0.70391 0.69831 -0.01656 0.12089  0.01256  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.76167 0.79383 0.74306 -0.01458 0.13411  0.00687  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.74411 0.78814 0.69837 -0.01539 0.14067  0.02109  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.72899 0.76872 0.70502 -0.01103 0.13975  -0.01323 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.76112 0.82104 0.68837 -0.01216 0.15014  0.00725  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.76328 0.81826 0.70522 -0.00913 0.14955  -0.01561 633 HIS A NE2 
144  N N   . MET A 57  ? 0.68305 0.65442 0.74543 -0.02585 0.09620  0.02662  634 MET A N   
145  C CA  . MET A 57  ? 0.64585 0.59173 0.71387 -0.02353 0.07711  0.01700  634 MET A CA  
146  C C   . MET A 57  ? 0.64578 0.58785 0.74800 -0.03296 0.06811  0.01580  634 MET A C   
147  O O   . MET A 57  ? 0.67321 0.60814 0.77382 -0.03042 0.05492  0.00149  634 MET A O   
148  C CB  . MET A 57  ? 0.66427 0.58664 0.72779 -0.02038 0.06862  0.02535  634 MET A CB  
149  C CG  . MET A 57  ? 0.67340 0.60548 0.71019 -0.01208 0.07582  0.03218  634 MET A CG  
150  S SD  . MET A 57  ? 0.66675 0.57252 0.70706 -0.00614 0.06566  0.04788  634 MET A SD  
151  C CE  . MET A 57  ? 0.53166 0.46486 0.54366 -0.00123 0.07498  0.06218  634 MET A CE  
152  N N   . LYS A 58  ? 0.62000 0.57141 0.75493 -0.04444 0.07465  0.03321  635 LYS A N   
153  C CA  . LYS A 58  ? 0.63344 0.58801 0.80957 -0.05455 0.06459  0.03397  635 LYS A CA  
154  C C   . LYS A 58  ? 0.63888 0.61407 0.81831 -0.04966 0.06884  0.02250  635 LYS A C   
155  O O   . LYS A 58  ? 0.64855 0.61954 0.84538 -0.05258 0.05107  0.01544  635 LYS A O   
156  C CB  . LYS A 58  ? 0.61806 0.58945 0.83657 -0.06802 0.07554  0.05955  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.67166 0.61589 0.90270 -0.07686 0.06331  0.07463  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.72145 0.68937 0.97510 -0.08656 0.08416  0.10795  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.69891 0.67962 1.01788 -0.10494 0.08004  0.12776  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.83566 0.82851 1.17973 -0.11732 0.09383  0.16689  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.65165 0.64668 0.81376 -0.04189 0.08929  0.01999  636 GLN A N   
162  C CA  . GLN A 59  ? 0.64575 0.65413 0.81391 -0.03576 0.09217  0.00880  636 GLN A CA  
163  C C   . GLN A 59  ? 0.58630 0.57819 0.73218 -0.03070 0.07350  -0.00367 636 GLN A C   
164  O O   . GLN A 59  ? 0.60727 0.60237 0.77106 -0.03104 0.06195  -0.00618 636 GLN A O   
165  C CB  . GLN A 59  ? 0.67221 0.69664 0.82118 -0.02793 0.11438  0.00356  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.75052 0.79030 0.92418 -0.02206 0.12232  -0.00497 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.90280 0.96984 1.09729 -0.01962 0.14809  -0.00032 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.94946 1.02547 1.12081 -0.02039 0.16347  0.00632  636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.93000 1.01371 1.16887 -0.01526 0.15381  -0.00200 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.63942 0.61807 0.74740 -0.02512 0.07132  -0.00884 637 LEU A N   
171  C CA  . LEU A 60  ? 0.57257 0.54259 0.65807 -0.01901 0.05830  -0.01778 637 LEU A CA  
172  C C   . LEU A 60  ? 0.60214 0.55674 0.69098 -0.02184 0.03728  -0.02177 637 LEU A C   
173  O O   . LEU A 60  ? 0.58974 0.54651 0.67277 -0.01992 0.02508  -0.02582 637 LEU A O   
174  C CB  . LEU A 60  ? 0.60541 0.57069 0.65774 -0.01131 0.06288  -0.02041 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.59305 0.57262 0.63680 -0.00950 0.07701  -0.01948 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.57139 0.54878 0.59020 -0.00333 0.07768  -0.01821 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.59193 0.58064 0.64092 -0.00843 0.07629  -0.02356 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.58559 0.52355 0.68365 -0.02715 0.03059  -0.02007 638 GLU A N   
179  C CA  . GLU A 61  ? 0.59332 0.51282 0.69844 -0.03205 0.00627  -0.02761 638 GLU A CA  
180  C C   . GLU A 61  ? 0.61877 0.55437 0.75524 -0.04005 -0.00422 -0.02331 638 GLU A C   
181  O O   . GLU A 61  ? 0.62925 0.55939 0.75457 -0.03969 -0.02557 -0.03190 638 GLU A O   
182  C CB  . GLU A 61  ? 0.55952 0.45796 0.68707 -0.04101 -0.00062 -0.02236 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.57761 0.45182 0.71358 -0.04747 -0.03035 -0.03436 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.65111 0.49667 0.81377 -0.05737 -0.04114 -0.02948 638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.69335 0.54890 0.88354 -0.06475 -0.02439 -0.00713 638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.69243 0.50441 0.84842 -0.05802 -0.06750 -0.04769 638 GLU A OE2 
187  N N   . GLN A 62  ? 0.57484 0.53287 0.75030 -0.04585 0.01058  -0.00972 639 GLN A N   
188  C CA  . GLN A 62  ? 0.56990 0.54644 0.78823 -0.05226 0.00111  -0.00286 639 GLN A CA  
189  C C   . GLN A 62  ? 0.59647 0.58116 0.79918 -0.04414 -0.00538 -0.00672 639 GLN A C   
190  O O   . GLN A 62  ? 0.59121 0.57531 0.79753 -0.04718 -0.03001 -0.00749 639 GLN A O   
191  C CB  . GLN A 62  ? 0.58616 0.58936 0.84849 -0.05518 0.02497  0.01118  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.65597 0.68230 0.97635 -0.06109 0.01655  0.02105  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.71277 0.76997 1.07935 -0.06214 0.04412  0.03507  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.76334 0.82250 1.11686 -0.06259 0.06559  0.04009  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.73674 0.82149 1.15788 -0.06123 0.04433  0.04304  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.57615 0.56805 0.76144 -0.03487 0.01403  -0.00759 640 ALA A N   
197  C CA  . ALA A 63  ? 0.55367 0.55125 0.72780 -0.02868 0.00796  -0.00645 640 ALA A CA  
198  C C   . ALA A 63  ? 0.58666 0.57290 0.71939 -0.02692 -0.01238 -0.01169 640 ALA A C   
199  O O   . ALA A 63  ? 0.62512 0.61803 0.75886 -0.02752 -0.03070 -0.00604 640 ALA A O   
200  C CB  . ALA A 63  ? 0.57109 0.57143 0.72990 -0.02138 0.02857  -0.00857 640 ALA A CB  
201  N N   . LYS A 64  ? 0.59204 0.56244 0.68726 -0.02321 -0.00955 -0.02239 641 LYS A N   
202  C CA  . LYS A 64  ? 0.60424 0.56593 0.65413 -0.01689 -0.02376 -0.03167 641 LYS A CA  
203  C C   . LYS A 64  ? 0.64469 0.60037 0.69798 -0.02337 -0.05313 -0.03620 641 LYS A C   
204  O O   . LYS A 64  ? 0.63550 0.59778 0.65944 -0.01953 -0.06768 -0.03626 641 LYS A O   
205  C CB  . LYS A 64  ? 0.59058 0.53418 0.60971 -0.00932 -0.01595 -0.04482 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.61364 0.54480 0.58672 0.00027  -0.02999 -0.06128 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.66036 0.61408 0.60204 0.00873  -0.02571 -0.05460 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.69053 0.63723 0.57863 0.02274  -0.03214 -0.07288 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.70783 0.68436 0.56507 0.03168  -0.02160 -0.06060 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.66397 0.60976 0.75373 -0.03441 -0.06361 -0.03782 642 LYS A N   
211  C CA  . LYS A 65  ? 0.64418 0.58278 0.74447 -0.04382 -0.09665 -0.04318 642 LYS A CA  
212  C C   . LYS A 65  ? 0.57540 0.53957 0.72580 -0.05210 -0.10721 -0.02501 642 LYS A C   
213  O O   . LYS A 65  ? 0.56766 0.53120 0.74699 -0.06368 -0.13464 -0.02474 642 LYS A O   
214  C CB  . LYS A 65  ? 0.60609 0.51971 0.72920 -0.05409 -0.10694 -0.05189 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.56602 0.45068 0.64674 -0.04396 -0.09977 -0.06971 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.57622 0.42932 0.68295 -0.05491 -0.11590 -0.07727 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.64982 0.47268 0.71925 -0.04110 -0.10708 -0.09370 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.69222 0.47381 0.78302 -0.04907 -0.12616 -0.10382 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.59263 0.57831 0.75834 -0.04617 -0.08854 -0.01015 643 LEU A N   
220  C CA  . LEU A 66  ? 0.56313 0.57191 0.77782 -0.05012 -0.10069 0.00704  643 LEU A CA  
221  C C   . LEU A 66  ? 0.59577 0.60736 0.78721 -0.05243 -0.13660 0.00882  643 LEU A C   
222  O O   . LEU A 66  ? 0.59696 0.62431 0.83403 -0.05989 -0.15906 0.02099  643 LEU A O   
223  C CB  . LEU A 66  ? 0.56393 0.58740 0.79493 -0.04086 -0.07694 0.01926  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.57820 0.60621 0.84239 -0.03862 -0.04507 0.01817  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.50765 0.53904 0.76949 -0.02838 -0.02476 0.02112  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.47281 0.52017 0.80644 -0.04457 -0.04663 0.02756  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.62387 0.62481 0.74517 -0.04517 -0.14235 -0.00174 644 PHE A N   
228  C CA  . PHE A 67  ? 0.62687 0.63216 0.71208 -0.04621 -0.17648 -0.00192 644 PHE A CA  
229  C C   . PHE A 67  ? 0.69838 0.68118 0.70860 -0.03972 -0.18323 -0.02935 644 PHE A C   
230  O O   . PHE A 67  ? 0.73471 0.70247 0.72167 -0.03168 -0.15827 -0.04285 644 PHE A O   
231  C CB  . PHE A 67  ? 0.61506 0.64352 0.68774 -0.03949 -0.17596 0.02247  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.60462 0.65085 0.74975 -0.04117 -0.16805 0.04722  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.61200 0.65766 0.77965 -0.03513 -0.13399 0.05174  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.53834 0.60203 0.72909 -0.04716 -0.19644 0.06515  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.58038 0.63849 0.81371 -0.03337 -0.12656 0.06939  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.51773 0.59725 0.78045 -0.04464 -0.18768 0.08653  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.50296 0.57773 0.78542 -0.03681 -0.15193 0.08661  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.70188 0.68378 0.67277 -0.04145 -0.21819 -0.03820 645 GLU A N   
239  C CA  . GLU A 68  ? 0.71821 0.67665 0.61509 -0.03249 -0.22690 -0.07066 645 GLU A CA  
240  C C   . GLU A 68  ? 0.78945 0.75593 0.63058 -0.01378 -0.19310 -0.07129 645 GLU A C   
241  O O   . GLU A 68  ? 0.85427 0.79924 0.66275 -0.00306 -0.17933 -0.09643 645 GLU A O   
242  C CB  . GLU A 68  ? 0.75946 0.72021 0.61408 -0.03594 -0.27083 -0.08029 645 GLU A CB  
243  N N   . ASN A 69  ? 0.80344 0.80141 0.64109 -0.00988 -0.17959 -0.04146 646 ASN A N   
244  C CA  . ASN A 69  ? 0.78164 0.79613 0.57223 0.00534  -0.15003 -0.03482 646 ASN A CA  
245  C C   . ASN A 69  ? 0.71758 0.74727 0.55966 0.00262  -0.12180 -0.00619 646 ASN A C   
246  O O   . ASN A 69  ? 0.74583 0.79650 0.61218 -0.00235 -0.12618 0.02434  646 ASN A O   
247  C CB  . ASN A 69  ? 0.84974 0.89073 0.57830 0.01186  -0.16346 -0.02242 646 ASN A CB  
248  C CG  . ASN A 69  ? 0.99438 1.02017 0.65497 0.01829  -0.19018 -0.05729 646 ASN A CG  
249  O OD1 . ASN A 69  ? 1.02678 1.06588 0.65357 0.01508  -0.22127 -0.05157 646 ASN A OD1 
250  N ND2 . ASN A 69  ? 0.96297 0.95888 0.60230 0.02811  -0.18067 -0.09481 646 ASN A ND2 
251  N N   . THR A 70  ? 0.70010 0.71828 0.55689 0.00658  -0.09499 -0.01596 647 THR A N   
252  C CA  . THR A 70  ? 0.67133 0.69964 0.57317 0.00354  -0.07149 0.00479  647 THR A CA  
253  C C   . THR A 70  ? 0.75442 0.79019 0.63162 0.01417  -0.04313 0.00324  647 THR A C   
254  O O   . THR A 70  ? 0.72963 0.75647 0.56881 0.02510  -0.03655 -0.01865 647 THR A O   
255  C CB  . THR A 70  ? 0.66022 0.67176 0.61927 -0.00520 -0.06766 -0.00145 647 THR A CB  
256  O OG1 . THR A 70  ? 0.68140 0.67304 0.62651 -0.00069 -0.05620 -0.02393 647 THR A OG1 
257  C CG2 . THR A 70  ? 0.67793 0.68486 0.66631 -0.01521 -0.09519 -0.00215 647 THR A CG2 
258  N N   . THR A 71  ? 0.70281 0.75438 0.60891 0.01093  -0.02796 0.02684  648 THR A N   
259  C CA  . THR A 71  ? 0.68013 0.73839 0.58897 0.01561  -0.00278 0.02838  648 THR A CA  
260  C C   . THR A 71  ? 0.61297 0.65773 0.57422 0.00699  0.00409  0.02771  648 THR A C   
261  O O   . THR A 71  ? 0.62156 0.66842 0.62076 -0.00067 -0.00058 0.04324  648 THR A O   
262  C CB  . THR A 71  ? 0.60211 0.69118 0.50211 0.01694  0.00660  0.05714  648 THR A CB  
263  O OG1 . THR A 71  ? 0.77381 0.87947 0.61783 0.02631  0.00098  0.05771  648 THR A OG1 
264  C CG2 . THR A 71  ? 0.63031 0.73144 0.53794 0.02058  0.02993  0.06036  648 THR A CG2 
265  N N   . LEU A 72  ? 0.61971 0.65037 0.58205 0.00962  0.01459  0.00958  649 LEU A N   
266  C CA  . LEU A 72  ? 0.58432 0.60599 0.58462 0.00322  0.02341  0.00751  649 LEU A CA  
267  C C   . LEU A 72  ? 0.58736 0.62154 0.59313 0.00364  0.03779  0.01638  649 LEU A C   
268  O O   . LEU A 72  ? 0.64511 0.68762 0.62845 0.01100  0.04698  0.01359  649 LEU A O   
269  C CB  . LEU A 72  ? 0.58863 0.59165 0.58804 0.00395  0.02560  -0.01057 649 LEU A CB  
270  C CG  . LEU A 72  ? 0.59167 0.58943 0.62255 -0.00190 0.03571  -0.01234 649 LEU A CG  
271  C CD1 . LEU A 72  ? 0.50017 0.50099 0.56803 -0.00797 0.03155  -0.00581 649 LEU A CD1 
272  C CD2 . LEU A 72  ? 0.53406 0.51679 0.56335 -0.00244 0.03663  -0.02265 649 LEU A CD2 
273  N N   . ILE A 73  ? 0.59213 0.62788 0.63168 -0.00373 0.03791  0.02703  650 ILE A N   
274  C CA  . ILE A 73  ? 0.58194 0.62394 0.63584 -0.00714 0.04655  0.03207  650 ILE A CA  
275  C C   . ILE A 73  ? 0.59160 0.61769 0.66270 -0.01000 0.05083  0.01539  650 ILE A C   
276  O O   . ILE A 73  ? 0.58730 0.60252 0.67895 -0.01152 0.04810  0.00961  650 ILE A O   
277  C CB  . ILE A 73  ? 0.54177 0.59271 0.62237 -0.01402 0.04124  0.05493  650 ILE A CB  
278  C CG1 . ILE A 73  ? 0.52064 0.59349 0.57788 -0.01080 0.03874  0.07596  650 ILE A CG1 
279  C CG2 . ILE A 73  ? 0.51358 0.56935 0.61352 -0.02026 0.04598  0.05913  650 ILE A CG2 
280  C CD1 . ILE A 73  ? 0.44295 0.52458 0.52865 -0.01869 0.03096  0.10595  650 ILE A CD1 
281  N N   . VAL A 74  ? 0.64114 0.66967 0.70304 -0.00950 0.05798  0.00855  651 VAL A N   
282  C CA  . VAL A 74  ? 0.56936 0.58727 0.63629 -0.01149 0.06255  -0.00648 651 VAL A CA  
283  C C   . VAL A 74  ? 0.56853 0.58860 0.65089 -0.01787 0.06004  -0.00621 651 VAL A C   
284  O O   . VAL A 74  ? 0.59812 0.63303 0.68052 -0.02001 0.05819  0.00541  651 VAL A O   
285  C CB  . VAL A 74  ? 0.57232 0.58979 0.61400 -0.00651 0.06821  -0.01345 651 VAL A CB  
286  C CG1 . VAL A 74  ? 0.59136 0.60314 0.63184 -0.00880 0.07350  -0.02459 651 VAL A CG1 
287  C CG2 . VAL A 74  ? 0.60090 0.61081 0.63322 -0.00239 0.06634  -0.01489 651 VAL A CG2 
288  N N   . GLY A 75  ? 0.61148 0.61775 0.70993 -0.02049 0.05952  -0.01957 652 GLY A N   
289  C CA  . GLY A 75  ? 0.55732 0.55823 0.66833 -0.02708 0.05331  -0.02712 652 GLY A CA  
290  C C   . GLY A 75  ? 0.61397 0.61306 0.69928 -0.02541 0.05775  -0.04612 652 GLY A C   
291  O O   . GLY A 75  ? 0.60589 0.60057 0.67868 -0.01957 0.06776  -0.05757 652 GLY A O   
292  N N   . VAL A 76  ? 0.66562 0.67232 0.74484 -0.03118 0.04973  -0.04610 653 VAL A N   
293  C CA  . VAL A 76  ? 0.66338 0.67289 0.71334 -0.03056 0.04965  -0.05963 653 VAL A CA  
294  C C   . VAL A 76  ? 0.69542 0.69171 0.75264 -0.03774 0.03692  -0.07961 653 VAL A C   
295  O O   . VAL A 76  ? 0.65038 0.64809 0.73285 -0.04795 0.02162  -0.07307 653 VAL A O   
296  C CB  . VAL A 76  ? 0.63740 0.66784 0.67564 -0.03036 0.04650  -0.04378 653 VAL A CB  
297  C CG1 . VAL A 76  ? 0.62356 0.65793 0.62870 -0.02763 0.04730  -0.05129 653 VAL A CG1 
298  C CG2 . VAL A 76  ? 0.60318 0.64082 0.64135 -0.02266 0.05578  -0.02769 653 VAL A CG2 
299  N N   . THR A 77  ? 0.72609 0.71006 0.76305 -0.03232 0.04323  -0.10441 654 THR A N   
300  C CA  . THR A 77  ? 0.68702 0.65107 0.72857 -0.03593 0.03122  -0.13166 654 THR A CA  
301  C C   . THR A 77  ? 0.71888 0.68999 0.74330 -0.04604 0.01129  -0.13700 654 THR A C   
302  O O   . THR A 77  ? 0.72076 0.71356 0.71817 -0.04590 0.01169  -0.12466 654 THR A O   
303  C CB  . THR A 77  ? 0.72359 0.67830 0.74088 -0.02366 0.04698  -0.15920 654 THR A CB  
304  O OG1 . THR A 77  ? 0.75531 0.73114 0.73015 -0.01837 0.06118  -0.15297 654 THR A OG1 
305  C CG2 . THR A 77  ? 0.78395 0.72952 0.83525 -0.01498 0.06057  -0.15685 654 THR A CG2 
306  N N   . SER A 78  ? 0.75684 0.70787 0.80101 -0.05510 -0.00899 -0.15556 655 SER A N   
307  C CA  . SER A 78  ? 0.82252 0.78071 0.86132 -0.06832 -0.03442 -0.15913 655 SER A CA  
308  C C   . SER A 78  ? 0.82683 0.78443 0.80633 -0.06329 -0.03764 -0.18883 655 SER A C   
309  O O   . SER A 78  ? 0.85763 0.80313 0.80663 -0.05029 -0.02106 -0.21352 655 SER A O   
310  C CB  . SER A 78  ? 0.79418 0.72870 0.88235 -0.08323 -0.05957 -0.16677 655 SER A CB  
311  O OG  . SER A 78  ? 0.86543 0.76545 0.93813 -0.07995 -0.06862 -0.21038 655 SER A OG  
312  N N   . ASP A 79  ? 0.91706 0.89224 0.88083 -0.07323 -0.05921 -0.18445 656 ASP A N   
313  C CA  . ASP A 79  ? 0.95910 0.93900 0.85937 -0.06953 -0.06584 -0.20814 656 ASP A CA  
314  C C   . ASP A 79  ? 0.96794 0.91414 0.84718 -0.06672 -0.07386 -0.25679 656 ASP A C   
315  O O   . ASP A 79  ? 1.00109 0.94422 0.83161 -0.05132 -0.05335 -0.27964 656 ASP A O   
316  C CB  . ASP A 79  ? 0.94287 0.94680 0.83993 -0.08284 -0.09543 -0.19425 656 ASP A CB  
317  C CG  . ASP A 79  ? 0.95543 0.99400 0.84958 -0.07735 -0.08298 -0.15437 656 ASP A CG  
318  O OD1 . ASP A 79  ? 0.95538 1.00183 0.80455 -0.06466 -0.06228 -0.15073 656 ASP A OD1 
319  O OD2 . ASP A 79  ? 0.95772 1.01565 0.89830 -0.08473 -0.09223 -0.12583 656 ASP A OD2 
320  N N   . ASN A 80  ? 0.87936 0.80024 0.79745 -0.08095 -0.10333 -0.27340 657 ASN A N   
321  C CA  . ASN A 80  ? 0.93544 0.81894 0.83112 -0.07784 -0.11685 -0.32601 657 ASN A CA  
322  C C   . ASN A 80  ? 0.99828 0.85885 0.89585 -0.05728 -0.08524 -0.34635 657 ASN A C   
323  O O   . ASN A 80  ? 1.05956 0.90630 0.90802 -0.04202 -0.07612 -0.38852 657 ASN A O   
324  C CB  . ASN A 80  ? 0.96475 0.82003 0.91599 -0.09943 -0.15736 -0.33655 657 ASN A CB  
325  C CG  . ASN A 80  ? 1.00793 0.84720 1.04083 -0.10519 -0.15207 -0.31091 657 ASN A CG  
326  O OD1 . ASN A 80  ? 0.98128 0.84956 1.04188 -0.10562 -0.13397 -0.26552 657 ASN A OD1 
327  N ND2 . ASN A 80  ? 0.95896 0.75046 1.02912 -0.10849 -0.16847 -0.34039 657 ASN A ND2 
328  N N   . GLU A 81  ? 0.96406 0.82384 0.91712 -0.05518 -0.06783 -0.31674 658 GLU A N   
329  C CA  . GLU A 81  ? 0.93217 0.77269 0.89785 -0.03605 -0.04140 -0.33302 658 GLU A CA  
330  C C   . GLU A 81  ? 0.95723 0.82639 0.87005 -0.01710 -0.00543 -0.33230 658 GLU A C   
331  O O   . GLU A 81  ? 0.99220 0.85108 0.88691 0.00176  0.01460  -0.36369 658 GLU A O   
332  C CB  . GLU A 81  ? 0.89483 0.72962 0.93260 -0.04035 -0.03698 -0.29827 658 GLU A CB  
333  C CG  . GLU A 81  ? 0.88209 0.67615 0.98123 -0.05216 -0.06489 -0.30801 658 GLU A CG  
334  C CD  . GLU A 81  ? 0.87744 0.67611 1.04272 -0.06116 -0.06443 -0.26165 658 GLU A CD  
335  O OE1 . GLU A 81  ? 0.83626 0.67224 0.99705 -0.06544 -0.05363 -0.22228 658 GLU A OE1 
336  O OE2 . GLU A 81  ? 0.86509 0.62958 1.08567 -0.06319 -0.07556 -0.26444 658 GLU A OE2 
337  N N   . THR A 82  ? 0.94294 0.84883 0.83443 -0.02117 0.00370  -0.29613 659 THR A N   
338  C CA  . THR A 82  ? 0.93166 0.86493 0.77717 -0.00675 0.03503  -0.29057 659 THR A CA  
339  C C   . THR A 82  ? 1.06631 1.00252 0.84123 0.00181  0.03604  -0.32768 659 THR A C   
340  O O   . THR A 82  ? 1.12063 1.05874 0.87197 0.02015  0.06267  -0.35109 659 THR A O   
341  C CB  . THR A 82  ? 0.93993 0.90502 0.77909 -0.01397 0.03863  -0.24589 659 THR A CB  
342  O OG1 . THR A 82  ? 0.90515 0.86916 0.80027 -0.01739 0.04323  -0.21607 659 THR A OG1 
343  C CG2 . THR A 82  ? 0.94500 0.93663 0.73875 -0.00245 0.06697  -0.23735 659 THR A CG2 
344  N N   . LYS A 83  ? 1.10799 1.04790 0.84800 -0.01054 0.00688  -0.33359 660 LYS A N   
345  C CA  . LYS A 83  ? 1.13082 1.07295 0.79526 -0.00333 0.00228  -0.37170 660 LYS A CA  
346  C C   . LYS A 83  ? 1.17684 1.08357 0.83882 0.01129  0.00675  -0.42683 660 LYS A C   
347  O O   . LYS A 83  ? 1.25404 1.16461 0.85719 0.02831  0.02538  -0.44827 660 LYS A O   
348  C CB  . LYS A 83  ? 1.09766 1.04194 0.73969 -0.02196 -0.04059 -0.37351 660 LYS A CB  
349  N N   . LEU A 84  ? 1.12812 0.99630 0.85809 0.00548  -0.00981 -0.43776 661 LEU A N   
350  C CA  . LEU A 84  ? 1.12994 0.95456 0.86339 0.01793  -0.01311 -0.48073 661 LEU A CA  
351  C C   . LEU A 84  ? 1.09707 0.92424 0.84316 0.04383  0.02954  -0.48108 661 LEU A C   
352  O O   . LEU A 84  ? 1.12402 0.93953 0.83127 0.06265  0.04468  -0.50638 661 LEU A O   
353  C CB  . LEU A 84  ? 1.08418 0.86592 0.89165 0.00105  -0.04815 -0.48574 661 LEU A CB  
354  C CG  . LEU A 84  ? 1.21297 0.94447 1.01909 0.00203  -0.07037 -0.52178 661 LEU A CG  
355  C CD1 . LEU A 84  ? 1.25592 0.95537 1.14648 -0.01993 -0.10439 -0.50966 661 LEU A CD1 
356  C CD2 . LEU A 84  ? 1.21240 0.92490 1.01128 0.03086  -0.03861 -0.54472 661 LEU A CD2 
357  N N   . PHE A 85  ? 1.09028 0.93406 0.89178 0.04479  0.04908  -0.45271 662 PHE A N   
358  C CA  . PHE A 85  ? 1.09590 0.94519 0.92468 0.06719  0.08491  -0.44812 662 PHE A CA  
359  C C   . PHE A 85  ? 1.10160 1.00133 0.88998 0.07782  0.12253  -0.42557 662 PHE A C   
360  O O   . PHE A 85  ? 1.18691 1.09595 0.95628 0.09955  0.15058  -0.43334 662 PHE A O   
361  C CB  . PHE A 85  ? 1.00110 0.83720 0.91839 0.06159  0.08228  -0.42729 662 PHE A CB  
362  C CG  . PHE A 85  ? 0.97847 0.76570 0.94522 0.05061  0.04677  -0.43955 662 PHE A CG  
363  C CD1 . PHE A 85  ? 1.04272 0.79371 0.99079 0.05709  0.03121  -0.47419 662 PHE A CD1 
364  C CD2 . PHE A 85  ? 0.97896 0.75838 1.00786 0.03203  0.02851  -0.40510 662 PHE A CD2 
365  C CE1 . PHE A 85  ? 1.04370 0.74973 1.04215 0.04410  -0.00271 -0.48046 662 PHE A CE1 
366  C CE2 . PHE A 85  ? 0.94435 0.68048 1.02519 0.01965  -0.00412 -0.41322 662 PHE A CE2 
367  C CZ  . PHE A 85  ? 0.99413 0.69464 1.06141 0.02488  -0.02025 -0.44764 662 PHE A CZ  
368  N N   . LYS A 86  ? 1.06379 0.99570 0.84072 0.06243  0.12301  -0.39297 663 LYS A N   
369  C CA  . LYS A 86  ? 1.05967 1.03781 0.80383 0.06834  0.15526  -0.36455 663 LYS A CA  
370  C C   . LYS A 86  ? 1.11184 1.10800 0.76945 0.07044  0.15469  -0.37100 663 LYS A C   
371  O O   . LYS A 86  ? 1.25706 1.25518 0.87584 0.08845  0.17396  -0.38498 663 LYS A O   
372  C CB  . LYS A 86  ? 1.08605 1.08025 0.86161 0.05096  0.14952  -0.30974 663 LYS A CB  
373  C CG  . LYS A 86  ? 1.09587 1.13215 0.84027 0.05202  0.17479  -0.27617 663 LYS A CG  
374  C CD  . LYS A 86  ? 1.06383 1.10737 0.81863 0.03395  0.15770  -0.23243 663 LYS A CD  
375  C CE  . LYS A 86  ? 1.13067 1.19544 0.82012 0.02828  0.15025  -0.22083 663 LYS A CE  
376  N NZ  . LYS A 86  ? 1.11226 1.18097 0.81722 0.01379  0.13172  -0.18113 663 LYS A NZ  
377  N N   . GLY A 87  ? 1.16062 1.16839 0.78939 0.05216  0.13130  -0.35532 664 GLY A N   
378  C CA  . GLY A 87  ? 1.23339 1.26365 0.78250 0.05162  0.12813  -0.35077 664 GLY A CA  
379  C C   . GLY A 87  ? 1.28951 1.33153 0.83408 0.03060  0.09883  -0.31929 664 GLY A C   
380  O O   . GLY A 87  ? 1.23643 1.26080 0.84015 0.01742  0.07831  -0.30185 664 GLY A O   
381  N N   . GLN A 88  ? 1.47522 1.54704 0.95229 0.02901  0.09722  -0.30549 665 GLN A N   
382  C CA  . GLN A 88  ? 1.46017 1.54194 0.93437 0.01182  0.06651  -0.27152 665 GLN A CA  
383  C C   . GLN A 88  ? 1.38329 1.46521 0.92873 0.00398  0.07062  -0.22625 665 GLN A C   
384  O O   . GLN A 88  ? 1.36190 1.45105 0.93558 0.01083  0.10133  -0.20758 665 GLN A O   
385  C CB  . GLN A 88  ? 1.57652 1.69592 0.97388 0.01396  0.07194  -0.25102 665 GLN A CB  
386  C CG  . GLN A 88  ? 1.69074 1.79873 1.01682 0.02076  0.06146  -0.28419 665 GLN A CG  
387  C CD  . GLN A 88  ? 1.72924 1.82197 1.04134 0.00626  0.01051  -0.30671 665 GLN A CD  
388  O OE1 . GLN A 88  ? 1.68386 1.76808 1.05179 -0.00721 -0.01461 -0.30855 665 GLN A OE1 
389  N NE2 . GLN A 88  ? 1.75333 1.84177 0.99529 0.00711  -0.00589 -0.32016 665 GLN A NE2 
390  N N   . VAL A 89  ? 1.21437 1.28977 0.79002 -0.00997 0.03887  -0.21008 666 VAL A N   
391  C CA  . VAL A 89  ? 1.07765 1.15656 0.70865 -0.01551 0.04021  -0.16852 666 VAL A CA  
392  C C   . VAL A 89  ? 0.97493 1.07574 0.58584 -0.02222 0.01975  -0.13689 666 VAL A C   
393  O O   . VAL A 89  ? 1.02627 1.13245 0.60657 -0.02876 -0.00911 -0.14907 666 VAL A O   
394  C CB  . VAL A 89  ? 0.98224 1.03707 0.67975 -0.02273 0.02579  -0.17485 666 VAL A CB  
395  C CG1 . VAL A 89  ? 1.02162 1.07251 0.72173 -0.03546 -0.01238 -0.18580 666 VAL A CG1 
396  C CG2 . VAL A 89  ? 0.87025 0.92954 0.61511 -0.02357 0.03475  -0.13813 666 VAL A CG2 
397  N N   . VAL A 90  ? 0.92480 1.03704 0.55505 -0.02034 0.03221  -0.09687 667 VAL A N   
398  C CA  . VAL A 90  ? 0.86824 1.00082 0.48238 -0.02329 0.01538  -0.06326 667 VAL A CA  
399  C C   . VAL A 90  ? 0.87340 1.00355 0.54014 -0.02896 -0.00856 -0.04920 667 VAL A C   
400  O O   . VAL A 90  ? 0.88009 1.02562 0.53780 -0.03399 -0.03652 -0.03980 667 VAL A O   
401  C CB  . VAL A 90  ? 0.91572 1.05946 0.52588 -0.01772 0.03943  -0.02579 667 VAL A CB  
402  C CG1 . VAL A 90  ? 0.83146 0.99156 0.43504 -0.01937 0.01986  0.01192  667 VAL A CG1 
403  C CG2 . VAL A 90  ? 1.02301 1.18016 0.58083 -0.01243 0.06483  -0.03417 667 VAL A CG2 
404  N N   . GLN A 91  ? 0.80076 0.91610 0.52294 -0.02755 0.00191  -0.04594 668 GLN A N   
405  C CA  . GLN A 91  ? 0.76035 0.87918 0.53249 -0.03030 -0.01479 -0.03165 668 GLN A CA  
406  C C   . GLN A 91  ? 0.75356 0.86134 0.55795 -0.03849 -0.02596 -0.05590 668 GLN A C   
407  O O   . GLN A 91  ? 0.79309 0.88188 0.59515 -0.03920 -0.01555 -0.08158 668 GLN A O   
408  C CB  . GLN A 91  ? 0.74799 0.86063 0.55713 -0.02204 0.00307  -0.00844 668 GLN A CB  
409  C CG  . GLN A 91  ? 0.79933 0.91095 0.58659 -0.01576 0.02046  0.01122  668 GLN A CG  
410  C CD  . GLN A 91  ? 0.75773 0.85618 0.58352 -0.00870 0.03332  0.02787  668 GLN A CD  
411  O OE1 . GLN A 91  ? 0.77354 0.85754 0.60877 -0.00785 0.05160  0.02118  668 GLN A OE1 
412  N NE2 . GLN A 91  ? 0.72205 0.82563 0.57141 -0.00258 0.02242  0.04811  668 GLN A NE2 
413  N N   . THR A 92  ? 0.74191 0.86342 0.58362 -0.04420 -0.04681 -0.04395 669 THR A N   
414  C CA  . THR A 92  ? 0.74493 0.86089 0.62862 -0.05477 -0.05977 -0.05685 669 THR A CA  
415  C C   . THR A 92  ? 0.68580 0.79010 0.60900 -0.05017 -0.03787 -0.05092 669 THR A C   
416  O O   . THR A 92  ? 0.66137 0.76498 0.58481 -0.03900 -0.01740 -0.03582 669 THR A O   
417  C CB  . THR A 92  ? 0.68914 0.83278 0.60789 -0.06222 -0.08608 -0.03822 669 THR A CB  
418  O OG1 . THR A 92  ? 0.68312 0.84346 0.63402 -0.05077 -0.07214 -0.00802 669 THR A OG1 
419  C CG2 . THR A 92  ? 0.68827 0.84786 0.56602 -0.06536 -0.11031 -0.03760 669 THR A CG2 
420  N N   . LEU A 93  ? 0.68466 0.77893 0.64241 -0.05986 -0.04515 -0.06189 670 LEU A N   
421  C CA  . LEU A 93  ? 0.68886 0.77667 0.68249 -0.05640 -0.02751 -0.05185 670 LEU A CA  
422  C C   . LEU A 93  ? 0.66396 0.77570 0.67779 -0.04729 -0.01837 -0.02257 670 LEU A C   
423  O O   . LEU A 93  ? 0.68896 0.79438 0.70124 -0.03650 0.00188  -0.01565 670 LEU A O   
424  C CB  . LEU A 93  ? 0.69911 0.77891 0.73572 -0.07024 -0.04105 -0.05743 670 LEU A CB  
425  C CG  . LEU A 93  ? 0.64064 0.71320 0.70981 -0.06783 -0.02461 -0.04589 670 LEU A CG  
426  C CD1 . LEU A 93  ? 0.66055 0.70732 0.70571 -0.05835 -0.00648 -0.06228 670 LEU A CD1 
427  C CD2 . LEU A 93  ? 0.58898 0.65558 0.70534 -0.08350 -0.04058 -0.04403 670 LEU A CD2 
428  N N   . GLU A 94  ? 0.64822 0.78786 0.68155 -0.05029 -0.03432 -0.00693 671 GLU A N   
429  C CA  . GLU A 94  ? 0.59055 0.75571 0.64836 -0.03813 -0.02482 0.01864  671 GLU A CA  
430  C C   . GLU A 94  ? 0.57777 0.73376 0.60408 -0.02170 -0.01049 0.02314  671 GLU A C   
431  O O   . GLU A 94  ? 0.62113 0.77454 0.65504 -0.00873 0.00727  0.03079  671 GLU A O   
432  C CB  . GLU A 94  ? 0.59803 0.79876 0.68822 -0.04386 -0.04641 0.03483  671 GLU A CB  
433  C CG  . GLU A 94  ? 0.76224 0.97304 0.89442 -0.06439 -0.06527 0.03382  671 GLU A CG  
434  C CD  . GLU A 94  ? 0.78285 0.95977 0.89052 -0.08047 -0.08248 0.00299  671 GLU A CD  
435  O OE1 . GLU A 94  ? 0.73236 0.89389 0.78956 -0.07869 -0.08972 -0.01580 671 GLU A OE1 
436  O OE2 . GLU A 94  ? 0.80671 0.97209 0.94595 -0.09365 -0.08770 -0.00216 671 GLU A OE2 
437  N N   . GLU A 95  ? 0.57085 0.72070 0.56056 -0.02255 -0.01885 0.01868  672 GLU A N   
438  C CA  . GLU A 95  ? 0.61521 0.75520 0.58114 -0.00969 -0.00672 0.02822  672 GLU A CA  
439  C C   . GLU A 95  ? 0.65639 0.76944 0.61112 -0.00596 0.01517  0.01809  672 GLU A C   
440  O O   . GLU A 95  ? 0.63748 0.74156 0.59779 0.00536  0.02707  0.02708  672 GLU A O   
441  C CB  . GLU A 95  ? 0.67843 0.82085 0.60399 -0.01352 -0.01910 0.02943  672 GLU A CB  
442  C CG  . GLU A 95  ? 0.67125 0.84143 0.60523 -0.01798 -0.04589 0.04063  672 GLU A CG  
443  C CD  . GLU A 95  ? 0.80450 0.97846 0.68848 -0.02132 -0.05902 0.04311  672 GLU A CD  
444  O OE1 . GLU A 95  ? 0.85163 1.00925 0.69269 -0.02519 -0.04910 0.02535  672 GLU A OE1 
445  O OE2 . GLU A 95  ? 0.84466 1.04093 0.73202 -0.01891 -0.07848 0.06427  672 GLU A OE2 
446  N N   . ARG A 96  ? 0.68829 0.78709 0.62935 -0.01481 0.01879  -0.00175 673 ARG A N   
447  C CA  . ARG A 96  ? 0.65375 0.73185 0.59156 -0.01160 0.03747  -0.00915 673 ARG A CA  
448  C C   . ARG A 96  ? 0.68119 0.75727 0.64921 -0.00721 0.04425  -0.00507 673 ARG A C   
449  O O   . ARG A 96  ? 0.66857 0.73072 0.63643 -0.00155 0.05603  -0.00479 673 ARG A O   
450  C CB  . ARG A 96  ? 0.66041 0.72645 0.58474 -0.01883 0.04056  -0.03155 673 ARG A CB  
451  C CG  . ARG A 96  ? 0.70331 0.77386 0.58917 -0.02227 0.03436  -0.04180 673 ARG A CG  
452  C CD  . ARG A 96  ? 0.73282 0.78937 0.60862 -0.02515 0.03971  -0.07009 673 ARG A CD  
453  N NE  . ARG A 96  ? 0.72479 0.77635 0.61243 -0.03401 0.02003  -0.08838 673 ARG A NE  
454  C CZ  . ARG A 96  ? 0.75512 0.78807 0.66602 -0.03665 0.02052  -0.10685 673 ARG A CZ  
455  N NH1 . ARG A 96  ? 0.70941 0.73119 0.63711 -0.03044 0.03907  -0.10726 673 ARG A NH1 
456  N NH2 . ARG A 96  ? 0.74269 0.76707 0.66505 -0.04640 -0.00085 -0.12393 673 ARG A NH2 
457  N N   . THR A 97  ? 0.62686 0.71913 0.62087 -0.01054 0.03622  -0.00053 674 THR A N   
458  C CA  . THR A 97  ? 0.62291 0.71881 0.63942 -0.00613 0.04478  0.00561  674 THR A CA  
459  C C   . THR A 97  ? 0.62306 0.72950 0.64351 0.00952  0.05164  0.01794  674 THR A C   
460  O O   . THR A 97  ? 0.63862 0.73739 0.65735 0.01814  0.06217  0.01693  674 THR A O   
461  C CB  . THR A 97  ? 0.60251 0.71486 0.64969 -0.01681 0.03616  0.01040  674 THR A CB  
462  O OG1 . THR A 97  ? 0.58165 0.67511 0.62795 -0.02902 0.02940  -0.00537 674 THR A OG1 
463  C CG2 . THR A 97  ? 0.49259 0.61595 0.55847 -0.01164 0.04716  0.02251  674 THR A CG2 
464  N N   . GLU A 98  ? 0.60948 0.73213 0.63464 0.01484  0.04442  0.02804  675 GLU A N   
465  C CA  . GLU A 98  ? 0.63179 0.76167 0.66552 0.03356  0.05160  0.03724  675 GLU A CA  
466  C C   . GLU A 98  ? 0.62849 0.72654 0.64097 0.04230  0.05795  0.03133  675 GLU A C   
467  O O   . GLU A 98  ? 0.66726 0.75820 0.68323 0.05837  0.06521  0.03030  675 GLU A O   
468  C CB  . GLU A 98  ? 0.59909 0.75506 0.65097 0.03857  0.04038  0.05222  675 GLU A CB  
469  C CG  . GLU A 98  ? 0.67293 0.84667 0.74829 0.06016  0.05056  0.06089  675 GLU A CG  
470  C CD  . GLU A 98  ? 0.68553 0.88144 0.78345 0.07039  0.04036  0.07715  675 GLU A CD  
471  O OE1 . GLU A 98  ? 0.76107 0.98155 0.87355 0.05767  0.02379  0.08689  675 GLU A OE1 
472  O OE2 . GLU A 98  ? 0.80370 0.99122 0.90736 0.09175  0.04682  0.07957  675 GLU A OE2 
473  N N   . THR A 99  ? 0.67783 0.75690 0.67002 0.03231  0.05538  0.02702  676 THR A N   
474  C CA  . THR A 99  ? 0.67947 0.73090 0.66083 0.03728  0.06026  0.02623  676 THR A CA  
475  C C   . THR A 99  ? 0.67711 0.71153 0.65783 0.03720  0.06807  0.01337  676 THR A C   
476  O O   . THR A 99  ? 0.69347 0.71181 0.67605 0.04827  0.07006  0.00962  676 THR A O   
477  C CB  . THR A 99  ? 0.67228 0.71754 0.63460 0.02670  0.05797  0.03088  676 THR A CB  
478  O OG1 . THR A 99  ? 0.65298 0.71667 0.61139 0.02732  0.04691  0.04408  676 THR A OG1 
479  C CG2 . THR A 99  ? 0.66582 0.68598 0.62631 0.02898  0.06231  0.03690  676 THR A CG2 
480  N N   . LEU A 100 ? 0.65994 0.69680 0.63904 0.02569  0.07015  0.00548  677 LEU A N   
481  C CA  . LEU A 100 ? 0.66837 0.69418 0.64930 0.02503  0.07410  -0.00323 677 LEU A CA  
482  C C   . LEU A 100 ? 0.64503 0.67412 0.62653 0.03856  0.07620  -0.00480 677 LEU A C   
483  O O   . LEU A 100 ? 0.68190 0.69384 0.65639 0.04252  0.07592  -0.01304 677 LEU A O   
484  C CB  . LEU A 100 ? 0.68038 0.71485 0.66858 0.01423  0.07399  -0.00708 677 LEU A CB  
485  C CG  . LEU A 100 ? 0.62990 0.65533 0.61489 0.00483  0.07569  -0.01337 677 LEU A CG  
486  C CD1 . LEU A 100 ? 0.66484 0.69666 0.66089 -0.00320 0.07283  -0.01922 677 LEU A CD1 
487  C CD2 . LEU A 100 ? 0.63685 0.64627 0.62548 0.00449  0.07931  -0.01650 677 LEU A CD2 
488  N N   . LYS A 101 ? 0.68223 0.73585 0.67213 0.04610  0.07803  0.00249  678 LYS A N   
489  C CA  . LYS A 101 ? 0.69041 0.75587 0.67910 0.06211  0.08507  0.00104  678 LYS A CA  
490  C C   . LYS A 101 ? 0.71601 0.75509 0.69314 0.07829  0.08504  -0.01040 678 LYS A C   
491  O O   . LYS A 101 ? 0.74387 0.78232 0.70834 0.09202  0.09018  -0.02066 678 LYS A O   
492  C CB  . LYS A 101 ? 0.66322 0.76588 0.67261 0.06780  0.08856  0.01468  678 LYS A CB  
493  C CG  . LYS A 101 ? 0.71176 0.83289 0.72429 0.09130  0.09994  0.01468  678 LYS A CG  
494  C CD  . LYS A 101 ? 0.84474 0.98606 0.84771 0.09469  0.11133  0.01525  678 LYS A CD  
495  C CE  . LYS A 101 ? 0.85512 1.00833 0.84627 0.12298  0.12602  0.00655  678 LYS A CE  
496  N NZ  . LYS A 101 ? 0.78394 0.98901 0.78506 0.13037  0.14338  0.02231  678 LYS A NZ  
497  N N   . HIS A 102 ? 0.66065 0.67636 0.64070 0.07677  0.07841  -0.00901 679 HIS A N   
498  C CA  . HIS A 102 ? 0.66632 0.65040 0.64362 0.09033  0.07478  -0.01868 679 HIS A CA  
499  C C   . HIS A 102 ? 0.67463 0.62560 0.64413 0.07997  0.06734  -0.02922 679 HIS A C   
500  O O   . HIS A 102 ? 0.70955 0.62814 0.68028 0.08805  0.06019  -0.03892 679 HIS A O   
501  C CB  . HIS A 102 ? 0.66131 0.63809 0.65365 0.09463  0.06965  -0.00502 679 HIS A CB  
502  C CG  . HIS A 102 ? 0.64715 0.65536 0.65446 0.10845  0.07339  0.00510  679 HIS A CG  
503  N ND1 . HIS A 102 ? 0.64109 0.68633 0.65515 0.09829  0.07430  0.01713  679 HIS A ND1 
504  C CD2 . HIS A 102 ? 0.63093 0.64060 0.65328 0.13234  0.07565  0.00445  679 HIS A CD2 
505  C CE1 . HIS A 102 ? 0.66763 0.73969 0.70283 0.11321  0.07606  0.02653  679 HIS A CE1 
506  N NE2 . HIS A 102 ? 0.63243 0.68523 0.67344 0.13561  0.07863  0.01934  679 HIS A NE2 
507  N N   . ILE A 103 ? 0.66146 0.61892 0.62883 0.06253  0.06716  -0.02740 680 ILE A N   
508  C CA  . ILE A 103 ? 0.66030 0.59347 0.62982 0.05125  0.05939  -0.03353 680 ILE A CA  
509  C C   . ILE A 103 ? 0.68267 0.60852 0.63654 0.05747  0.05389  -0.05064 680 ILE A C   
510  O O   . ILE A 103 ? 0.64448 0.59397 0.58644 0.05998  0.05913  -0.05109 680 ILE A O   
511  C CB  . ILE A 103 ? 0.69723 0.64341 0.67563 0.03333  0.06274  -0.02473 680 ILE A CB  
512  C CG1 . ILE A 103 ? 0.65125 0.60497 0.63470 0.02790  0.06769  -0.01033 680 ILE A CG1 
513  C CG2 . ILE A 103 ? 0.63621 0.56568 0.62520 0.02285  0.05536  -0.02902 680 ILE A CG2 
514  C CD1 . ILE A 103 ? 0.63061 0.56294 0.62107 0.03093  0.06316  -0.00147 680 ILE A CD1 
515  N N   . ARG A 104 ? 0.71517 0.60797 0.66920 0.05855  0.04127  -0.06328 681 ARG A N   
516  C CA  . ARG A 104 ? 0.67701 0.55825 0.60928 0.06480  0.03104  -0.08373 681 ARG A CA  
517  C C   . ARG A 104 ? 0.69195 0.59581 0.61813 0.05350  0.02975  -0.07908 681 ARG A C   
518  O O   . ARG A 104 ? 0.72775 0.64572 0.62697 0.06220  0.03029  -0.08627 681 ARG A O   
519  C CB  . ARG A 104 ? 0.70043 0.53873 0.64398 0.05985  0.01165  -0.09624 681 ARG A CB  
520  C CG  . ARG A 104 ? 0.73803 0.55737 0.65655 0.06470  -0.00586 -0.12215 681 ARG A CG  
521  C CD  . ARG A 104 ? 0.76130 0.53617 0.70206 0.05394  -0.02992 -0.13248 681 ARG A CD  
522  N NE  . ARG A 104 ? 0.83479 0.57820 0.79509 0.06174  -0.03050 -0.13233 681 ARG A NE  
523  C CZ  . ARG A 104 ? 0.86057 0.58108 0.80274 0.08593  -0.03099 -0.15446 681 ARG A CZ  
524  N NH1 . ARG A 104 ? 0.91101 0.64263 0.80946 0.10620  -0.02623 -0.17871 681 ARG A NH1 
525  N NH2 . ARG A 104 ? 0.78926 0.47680 0.75904 0.09138  -0.03512 -0.15054 681 ARG A NH2 
526  N N   . TRP A 105 ? 0.63298 0.54278 0.58463 0.03568  0.02910  -0.06542 682 TRP A N   
527  C CA  . TRP A 105 ? 0.64512 0.56900 0.59935 0.02616  0.02313  -0.06194 682 TRP A CA  
528  C C   . TRP A 105 ? 0.64981 0.60460 0.59838 0.02785  0.03492  -0.05041 682 TRP A C   
529  O O   . TRP A 105 ? 0.64645 0.61220 0.59941 0.02139  0.02906  -0.04443 682 TRP A O   
530  C CB  . TRP A 105 ? 0.61470 0.53632 0.60517 0.00928  0.01982  -0.05224 682 TRP A CB  
531  C CG  . TRP A 105 ? 0.62092 0.51742 0.62739 0.00463  0.01295  -0.05436 682 TRP A CG  
532  C CD1 . TRP A 105 ? 0.59299 0.48763 0.61675 0.00048  0.02343  -0.04231 682 TRP A CD1 
533  C CD2 . TRP A 105 ? 0.66243 0.52954 0.66879 0.00325  -0.00831 -0.06853 682 TRP A CD2 
534  N NE1 . TRP A 105 ? 0.62914 0.49577 0.66962 -0.00456 0.01137  -0.04313 682 TRP A NE1 
535  C CE2 . TRP A 105 ? 0.64469 0.49132 0.67713 -0.00337 -0.00949 -0.06126 682 TRP A CE2 
536  C CE3 . TRP A 105 ? 0.68301 0.53862 0.66796 0.00640  -0.02853 -0.08675 682 TRP A CE3 
537  C CZ2 . TRP A 105 ? 0.66924 0.48033 0.71527 -0.00839 -0.03135 -0.07162 682 TRP A CZ2 
538  C CZ3 . TRP A 105 ? 0.67873 0.49852 0.67010 0.00266  -0.05148 -0.10230 682 TRP A CZ3 
539  C CH2 . TRP A 105 ? 0.72020 0.51623 0.74584 -0.00535 -0.05330 -0.09473 682 TRP A CH2 
540  N N   . VAL A 106 ? 0.67380 0.64295 0.61875 0.03508  0.04879  -0.04468 683 VAL A N   
541  C CA  . VAL A 106 ? 0.61291 0.60884 0.56641 0.03115  0.05780  -0.03061 683 VAL A CA  
542  C C   . VAL A 106 ? 0.66937 0.68702 0.60155 0.04164  0.06237  -0.02682 683 VAL A C   
543  O O   . VAL A 106 ? 0.69682 0.72107 0.61453 0.05606  0.07017  -0.03153 683 VAL A O   
544  C CB  . VAL A 106 ? 0.64935 0.65196 0.61590 0.02959  0.06676  -0.02461 683 VAL A CB  
545  C CG1 . VAL A 106 ? 0.63698 0.66568 0.61264 0.02660  0.07240  -0.01254 683 VAL A CG1 
546  C CG2 . VAL A 106 ? 0.57348 0.56381 0.55689 0.01834  0.06589  -0.02457 683 VAL A CG2 
547  N N   . ASP A 107 ? 0.63966 0.67150 0.57223 0.03565  0.05881  -0.01572 684 ASP A N   
548  C CA  . ASP A 107 ? 0.65552 0.71287 0.56397 0.04492  0.06439  -0.00733 684 ASP A CA  
549  C C   . ASP A 107 ? 0.65054 0.73847 0.57967 0.04167  0.07679  0.01435  684 ASP A C   
550  O O   . ASP A 107 ? 0.62691 0.74094 0.54481 0.05317  0.08964  0.02045  684 ASP A O   
551  C CB  . ASP A 107 ? 0.64607 0.70500 0.54140 0.04003  0.05124  -0.00161 684 ASP A CB  
552  C CG  . ASP A 107 ? 0.66912 0.70151 0.54174 0.04339  0.03511  -0.02412 684 ASP A CG  
553  O OD1 . ASP A 107 ? 0.70387 0.72685 0.54636 0.05770  0.03697  -0.04370 684 ASP A OD1 
554  O OD2 . ASP A 107 ? 0.73024 0.74998 0.62033 0.03185  0.01927  -0.02313 684 ASP A OD2 
555  N N   . GLU A 108 ? 0.63840 0.72380 0.60131 0.02656  0.07286  0.02514  685 GLU A N   
556  C CA  . GLU A 108 ? 0.56998 0.67846 0.56011 0.01924  0.07869  0.04479  685 GLU A CA  
557  C C   . GLU A 108 ? 0.56216 0.65285 0.58006 0.00822  0.07371  0.03744  685 GLU A C   
558  O O   . GLU A 108 ? 0.61051 0.67674 0.63056 0.00462  0.06765  0.02438  685 GLU A O   
559  C CB  . GLU A 108 ? 0.59363 0.71748 0.59536 0.01098  0.07495  0.06926  685 GLU A CB  
560  C CG  . GLU A 108 ? 0.62004 0.75889 0.58342 0.02132  0.07664  0.07479  685 GLU A CG  
561  C CD  . GLU A 108 ? 0.68357 0.84536 0.65730 0.01332  0.07441  0.10761  685 GLU A CD  
562  O OE1 . GLU A 108 ? 0.75659 0.91442 0.77444 -0.00134 0.06858  0.12424  685 GLU A OE1 
563  O OE2 . GLU A 108 ? 0.73650 0.91955 0.67327 0.02203  0.07770  0.11711  685 GLU A OE2 
564  N N   . ILE A 109 ? 0.57113 0.67697 0.61042 0.00298  0.07604  0.04584  686 ILE A N   
565  C CA  . ILE A 109 ? 0.54003 0.63035 0.59890 -0.00730 0.06926  0.03636  686 ILE A CA  
566  C C   . ILE A 109 ? 0.56719 0.66569 0.66177 -0.02117 0.06238  0.05144  686 ILE A C   
567  O O   . ILE A 109 ? 0.56801 0.69472 0.67756 -0.02342 0.06546  0.07303  686 ILE A O   
568  C CB  . ILE A 109 ? 0.52508 0.61940 0.57591 -0.00237 0.07139  0.02779  686 ILE A CB  
569  C CG1 . ILE A 109 ? 0.58160 0.66153 0.60416 0.01016  0.07598  0.01513  686 ILE A CG1 
570  C CG2 . ILE A 109 ? 0.59825 0.67837 0.65881 -0.01262 0.06320  0.01662  686 ILE A CG2 
571  C CD1 . ILE A 109 ? 0.57517 0.65281 0.59186 0.01437  0.07577  0.00950  686 ILE A CD1 
572  N N   . ILE A 110 ? 0.56237 0.63651 0.67388 -0.02994 0.05357  0.04048  687 ILE A N   
573  C CA  . ILE A 110 ? 0.54040 0.61101 0.68938 -0.04397 0.04248  0.04691  687 ILE A CA  
574  C C   . ILE A 110 ? 0.56391 0.62197 0.70888 -0.04761 0.03595  0.02379  687 ILE A C   
575  O O   . ILE A 110 ? 0.60178 0.63747 0.73131 -0.04368 0.03712  0.00095  687 ILE A O   
576  C CB  . ILE A 110 ? 0.54816 0.59671 0.72164 -0.04869 0.03543  0.04948  687 ILE A CB  
577  C CG1 . ILE A 110 ? 0.55392 0.61872 0.72700 -0.04607 0.03873  0.07662  687 ILE A CG1 
578  C CG2 . ILE A 110 ? 0.56698 0.60341 0.78244 -0.06300 0.02122  0.05184  687 ILE A CG2 
579  C CD1 . ILE A 110 ? 0.54932 0.59372 0.74801 -0.04880 0.02989  0.08249  687 ILE A CD1 
580  N N   . SER A 111 ? 0.73014 0.45746 0.83997 0.08478  -0.09999 -0.05728 688 SER A N   
581  C CA  . SER A 111 ? 0.76505 0.43852 0.86044 0.09029  -0.13953 -0.05796 688 SER A CA  
582  C C   . SER A 111 ? 0.74603 0.44980 0.90763 0.10041  -0.14457 -0.06925 688 SER A C   
583  O O   . SER A 111 ? 0.74350 0.48279 0.97008 0.11784  -0.15134 -0.09659 688 SER A O   
584  C CB  . SER A 111 ? 0.82285 0.43937 0.90041 0.10592  -0.18364 -0.07595 688 SER A CB  
585  O OG  . SER A 111 ? 0.87018 0.42467 0.92726 0.11129  -0.22844 -0.07640 688 SER A OG  
586  N N   . PRO A 112 ? 0.73889 0.43255 0.88925 0.09163  -0.14620 -0.05343 689 PRO A N   
587  C CA  . PRO A 112 ? 0.75108 0.41378 0.82828 0.07783  -0.14345 -0.03229 689 PRO A CA  
588  C C   . PRO A 112 ? 0.80202 0.50497 0.86979 0.06447  -0.10607 -0.01914 689 PRO A C   
589  O O   . PRO A 112 ? 0.74445 0.48841 0.85641 0.06203  -0.08523 -0.01963 689 PRO A O   
590  C CB  . PRO A 112 ? 0.78440 0.42542 0.86379 0.08465  -0.16780 -0.03247 689 PRO A CB  
591  C CG  . PRO A 112 ? 0.73726 0.41644 0.89971 0.09080  -0.16636 -0.04296 689 PRO A CG  
592  C CD  . PRO A 112 ? 0.73102 0.43971 0.93916 0.09790  -0.16042 -0.06108 689 PRO A CD  
593  N N   . CYS A 113 ? 0.81855 0.51203 0.82610 0.05342  -0.09961 -0.00807 690 CYS A N   
594  C CA  . CYS A 113 ? 0.73564 0.46449 0.73521 0.04682  -0.07361 -0.00180 690 CYS A CA  
595  C C   . CYS A 113 ? 0.77128 0.50328 0.75530 0.05338  -0.08320 -0.00392 690 CYS A C   
596  O O   . CYS A 113 ? 0.80191 0.51132 0.76015 0.05755  -0.10335 -0.00731 690 CYS A O   
597  C CB  . CYS A 113 ? 0.77709 0.51262 0.73324 0.03218  -0.05874 0.00397  690 CYS A CB  
598  S SG  . CYS A 113 ? 0.81917 0.53415 0.70633 0.01430  -0.07211 0.01096  690 CYS A SG  
599  N N   . PRO A 114 ? 0.80991 0.56451 0.80465 0.05723  -0.07498 -0.00475 691 PRO A N   
600  C CA  . PRO A 114 ? 0.74991 0.50871 0.72805 0.07166  -0.09117 -0.01588 691 PRO A CA  
601  C C   . PRO A 114 ? 0.82690 0.61025 0.75365 0.06827  -0.08350 -0.02408 691 PRO A C   
602  O O   . PRO A 114 ? 0.86845 0.66644 0.77331 0.04935  -0.06408 -0.01660 691 PRO A O   
603  C CB  . PRO A 114 ? 0.75888 0.52897 0.75111 0.07547  -0.08900 -0.01607 691 PRO A CB  
604  C CG  . PRO A 114 ? 0.74461 0.51080 0.76787 0.05868  -0.07294 0.00071  691 PRO A CG  
605  C CD  . PRO A 114 ? 0.75052 0.52201 0.76696 0.05062  -0.05672 0.00210  691 PRO A CD  
606  N N   . TRP A 115 ? 0.86412 0.65569 0.77042 0.08457  -0.10025 -0.04058 692 TRP A N   
607  C CA  . TRP A 115 ? 0.90301 0.73625 0.75784 0.07680  -0.08873 -0.05068 692 TRP A CA  
608  C C   . TRP A 115 ? 0.89343 0.79173 0.74996 0.08014  -0.07042 -0.06751 692 TRP A C   
609  O O   . TRP A 115 ? 0.89541 0.83670 0.72644 0.05536  -0.04656 -0.06419 692 TRP A O   
610  C CB  . TRP A 115 ? 0.90679 0.73649 0.73557 0.09676  -0.11198 -0.06868 692 TRP A CB  
611  C CG  . TRP A 115 ? 0.96551 0.84224 0.73092 0.08014  -0.09666 -0.07541 692 TRP A CG  
612  C CD1 . TRP A 115 ? 0.94801 0.90455 0.69405 0.09264  -0.08616 -0.10630 692 TRP A CD1 
613  C CD2 . TRP A 115 ? 0.98601 0.83631 0.69496 0.04437  -0.09240 -0.05145 692 TRP A CD2 
614  N NE1 . TRP A 115 ? 0.99911 0.99357 0.68024 0.06093  -0.06755 -0.10077 692 TRP A NE1 
615  C CE2 . TRP A 115 ? 1.00218 0.92199 0.65365 0.02793  -0.07390 -0.06300 692 TRP A CE2 
616  C CE3 . TRP A 115 ? 1.01208 0.78648 0.71194 0.02493  -0.10692 -0.02381 692 TRP A CE3 
617  C CZ2 . TRP A 115 ? 1.03562 0.94226 0.61120 -0.01679 -0.06869 -0.03870 692 TRP A CZ2 
618  C CZ3 . TRP A 115 ? 1.04081 0.78943 0.66653 -0.01121 -0.11079 -0.00375 692 TRP A CZ3 
619  C CH2 . TRP A 115 ? 1.02957 0.83934 0.58938 -0.03640 -0.09132 -0.00670 692 TRP A CH2 
620  N N   . VAL A 116 ? 0.85395 0.75646 0.74042 0.10893  -0.08704 -0.08602 693 VAL A N   
621  C CA  . VAL A 116 ? 0.76437 0.72159 0.65828 0.12054  -0.08069 -0.10868 693 VAL A CA  
622  C C   . VAL A 116 ? 0.82839 0.75249 0.74826 0.11371  -0.07842 -0.09059 693 VAL A C   
623  O O   . VAL A 116 ? 0.85815 0.72516 0.79762 0.11636  -0.09558 -0.07487 693 VAL A O   
624  C CB  . VAL A 116 ? 0.83077 0.80956 0.73030 0.16398  -0.11314 -0.14973 693 VAL A CB  
625  C CG1 . VAL A 116 ? 0.87185 0.90509 0.78593 0.18168  -0.11450 -0.17933 693 VAL A CG1 
626  C CG2 . VAL A 116 ? 0.92188 0.94470 0.78822 0.17241  -0.11194 -0.17212 693 VAL A CG2 
627  N N   . VAL A 117 ? 0.82356 0.78758 0.74141 0.10186  -0.05768 -0.09296 694 VAL A N   
628  C CA  . VAL A 117 ? 0.78902 0.72563 0.72024 0.09623  -0.05507 -0.07871 694 VAL A CA  
629  C C   . VAL A 117 ? 0.83331 0.75975 0.77448 0.12713  -0.08793 -0.10082 694 VAL A C   
630  O O   . VAL A 117 ? 0.87371 0.85004 0.81710 0.15322  -0.10226 -0.13844 694 VAL A O   
631  C CB  . VAL A 117 ? 0.76867 0.74515 0.69178 0.07336  -0.02786 -0.07499 694 VAL A CB  
632  C CG1 . VAL A 117 ? 0.77652 0.72324 0.70583 0.07105  -0.02710 -0.06334 694 VAL A CG1 
633  C CG2 . VAL A 117 ? 0.77144 0.73920 0.67581 0.04248  -0.00937 -0.05270 694 VAL A CG2 
634  N N   . THR A 118 ? 0.88236 0.74566 0.82710 0.12368  -0.10348 -0.07969 695 THR A N   
635  C CA  . THR A 118 ? 0.90019 0.72690 0.84178 0.14643  -0.14549 -0.09247 695 THR A CA  
636  C C   . THR A 118 ? 0.88852 0.69178 0.81650 0.13266  -0.14011 -0.07605 695 THR A C   
637  O O   . THR A 118 ? 0.88624 0.69226 0.81068 0.10509  -0.10439 -0.05066 695 THR A O   
638  C CB  . THR A 118 ? 0.92364 0.68059 0.86795 0.14640  -0.18005 -0.07619 695 THR A CB  
639  O OG1 . THR A 118 ? 0.98724 0.70381 0.92919 0.11068  -0.16381 -0.03479 695 THR A OG1 
640  C CG2 . THR A 118 ? 0.92115 0.69197 0.87757 0.15008  -0.17605 -0.08085 695 THR A CG2 
641  N N   . PRO A 119 ? 0.96371 0.73793 0.87955 0.15461  -0.18106 -0.09294 696 PRO A N   
642  C CA  . PRO A 119 ? 0.99033 0.72775 0.88096 0.14026  -0.18190 -0.07416 696 PRO A CA  
643  C C   . PRO A 119 ? 1.01592 0.69831 0.88799 0.10216  -0.16775 -0.02645 696 PRO A C   
644  O O   . PRO A 119 ? 1.04037 0.72342 0.89501 0.08080  -0.13933 -0.00710 696 PRO A O   
645  C CB  . PRO A 119 ? 0.97671 0.67270 0.85270 0.17478  -0.24566 -0.10251 696 PRO A CB  
646  C CG  . PRO A 119 ? 0.92638 0.67574 0.83187 0.21484  -0.26641 -0.15099 696 PRO A CG  
647  C CD  . PRO A 119 ? 0.94703 0.71484 0.86707 0.19731  -0.23526 -0.13363 696 PRO A CD  
648  N N   . GLU A 120 ? 1.09369 0.73648 0.97129 0.09245  -0.18662 -0.00978 697 GLU A N   
649  C CA  . GLU A 120 ? 1.09978 0.71278 0.96976 0.05044  -0.16829 0.03297  697 GLU A CA  
650  C C   . GLU A 120 ? 1.05442 0.72608 0.94763 0.03356  -0.10957 0.04094  697 GLU A C   
651  O O   . GLU A 120 ? 1.07520 0.75195 0.95462 0.00827  -0.08112 0.06178  697 GLU A O   
652  C CB  . GLU A 120 ? 1.14919 0.72099 1.03367 0.04106  -0.20022 0.04597  697 GLU A CB  
653  C CG  . GLU A 120 ? 1.23030 0.72244 1.08642 0.05473  -0.27155 0.04165  697 GLU A CG  
654  C CD  . GLU A 120 ? 1.23015 0.74085 1.09244 0.11066  -0.30385 -0.01038 697 GLU A CD  
655  O OE1 . GLU A 120 ? 1.18292 0.76568 1.07703 0.13126  -0.27410 -0.03711 697 GLU A OE1 
656  O OE2 . GLU A 120 ? 1.31121 0.76866 1.14461 0.13300  -0.35959 -0.02632 697 GLU A OE2 
657  N N   . PHE A 121 ? 0.91944 0.63256 0.84287 0.04821  -0.09547 0.02265  698 PHE A N   
658  C CA  . PHE A 121 ? 0.87763 0.63158 0.81814 0.03683  -0.05339 0.02630  698 PHE A CA  
659  C C   . PHE A 121 ? 0.88371 0.65253 0.80262 0.03110  -0.02979 0.02753  698 PHE A C   
660  O O   . PHE A 121 ? 0.84090 0.62111 0.76186 0.01546  -0.00321 0.03904  698 PHE A O   
661  C CB  . PHE A 121 ? 0.87417 0.65835 0.82868 0.05280  -0.05126 0.00597  698 PHE A CB  
662  C CG  . PHE A 121 ? 0.83156 0.63639 0.79730 0.04176  -0.02364 0.01021  698 PHE A CG  
663  C CD1 . PHE A 121 ? 0.76326 0.56079 0.75569 0.03433  -0.02137 0.01871  698 PHE A CD1 
664  C CD2 . PHE A 121 ? 0.78602 0.61389 0.73696 0.03925  -0.00752 0.00332  698 PHE A CD2 
665  C CE1 . PHE A 121 ? 0.74878 0.55617 0.75071 0.03104  -0.00775 0.01636  698 PHE A CE1 
666  C CE2 . PHE A 121 ? 0.77294 0.60166 0.72706 0.03032  0.00450  0.00668  698 PHE A CE2 
667  C CZ  . PHE A 121 ? 0.76235 0.57815 0.74084 0.02955  0.00218  0.01115  698 PHE A CZ  
668  N N   . LEU A 122 ? 0.89803 0.67101 0.79873 0.04683  -0.04260 0.01076  699 LEU A N   
669  C CA  . LEU A 122 ? 0.88638 0.66920 0.76686 0.04354  -0.02694 0.00932  699 LEU A CA  
670  C C   . LEU A 122 ? 0.92892 0.67808 0.77827 0.02677  -0.02296 0.03156  699 LEU A C   
671  O O   . LEU A 122 ? 0.91358 0.67687 0.75408 0.01657  0.00427  0.03740  699 LEU A O   
672  C CB  . LEU A 122 ? 0.88094 0.67831 0.75562 0.06407  -0.04816 -0.01624 699 LEU A CB  
673  C CG  . LEU A 122 ? 0.82078 0.66671 0.72127 0.07819  -0.05214 -0.04174 699 LEU A CG  
674  C CD1 . LEU A 122 ? 0.83808 0.71475 0.74096 0.09832  -0.07132 -0.07235 699 LEU A CD1 
675  C CD2 . LEU A 122 ? 0.81623 0.69583 0.72620 0.05986  -0.02073 -0.03594 699 LEU A CD2 
676  N N   . GLU A 123 ? 1.02499 0.72684 0.85065 0.02308  -0.05396 0.04307  700 GLU A N   
677  C CA  . GLU A 123 ? 1.06519 0.73277 0.84776 -0.00327 -0.05048 0.07060  700 GLU A CA  
678  C C   . GLU A 123 ? 1.05519 0.75527 0.85740 -0.03109 -0.01281 0.08926  700 GLU A C   
679  O O   . GLU A 123 ? 1.09626 0.81767 0.87779 -0.04608 0.01719  0.09693  700 GLU A O   
680  C CB  . GLU A 123 ? 1.10551 0.70077 0.85238 -0.00874 -0.10126 0.08444  700 GLU A CB  
681  C CG  . GLU A 123 ? 1.27158 0.82106 0.96491 0.00264  -0.13176 0.07905  700 GLU A CG  
682  C CD  . GLU A 123 ? 1.39127 0.93721 1.03412 -0.02464 -0.10187 0.10193  700 GLU A CD  
683  O OE1 . GLU A 123 ? 1.44332 0.96468 1.05151 -0.06504 -0.09529 0.13751  700 GLU A OE1 
684  O OE2 . GLU A 123 ? 1.36539 0.93781 1.00259 -0.00837 -0.08476 0.08398  700 GLU A OE2 
685  N N   . LYS A 124 ? 0.97066 0.68254 0.81612 -0.03451 -0.01500 0.09081  701 LYS A N   
686  C CA  . LYS A 124 ? 0.91234 0.66472 0.78883 -0.05872 0.01616  0.10235  701 LYS A CA  
687  C C   . LYS A 124 ? 0.88011 0.68664 0.77002 -0.04911 0.05471  0.08487  701 LYS A C   
688  O O   . LYS A 124 ? 0.85437 0.70008 0.74491 -0.06799 0.08405  0.09021  701 LYS A O   
689  C CB  . LYS A 124 ? 0.90914 0.66576 0.83668 -0.05424 0.00226  0.09809  701 LYS A CB  
690  C CG  . LYS A 124 ? 0.83469 0.64351 0.81097 -0.07227 0.02993  0.10037  701 LYS A CG  
691  C CD  . LYS A 124 ? 0.84302 0.64334 0.86529 -0.06568 0.00667  0.09579  701 LYS A CD  
692  C CE  . LYS A 124 ? 0.82656 0.67057 0.89943 -0.09431 0.02144  0.10458  701 LYS A CE  
693  N NZ  . LYS A 124 ? 0.80941 0.70036 0.93526 -0.07217 0.03585  0.07696  701 LYS A NZ  
694  N N   . TYR A 125 ? 0.86361 0.67511 0.76225 -0.02133 0.05232  0.06232  702 TYR A N   
695  C CA  . TYR A 125 ? 0.84359 0.68819 0.75342 -0.00914 0.07406  0.04377  702 TYR A CA  
696  C C   . TYR A 125 ? 0.84727 0.68283 0.71518 -0.00105 0.07707  0.03697  702 TYR A C   
697  O O   . TYR A 125 ? 0.75758 0.60844 0.62898 0.01134  0.08563  0.01992  702 TYR A O   
698  C CB  . TYR A 125 ? 0.74978 0.59538 0.68987 0.00686  0.06330  0.02884  702 TYR A CB  
699  C CG  . TYR A 125 ? 0.78916 0.64688 0.77296 0.00363  0.06102  0.02936  702 TYR A CG  
700  C CD1 . TYR A 125 ? 0.74588 0.63805 0.76346 0.00624  0.07502  0.01675  702 TYR A CD1 
701  C CD2 . TYR A 125 ? 0.78874 0.62607 0.78329 0.00206  0.04039  0.03698  702 TYR A CD2 
702  C CE1 . TYR A 125 ? 0.68308 0.59015 0.74809 0.00480  0.06897  0.01339  702 TYR A CE1 
703  C CE2 . TYR A 125 ? 0.78131 0.62598 0.81702 -0.00044 0.03382  0.03659  702 TYR A CE2 
704  C CZ  . TYR A 125 ? 0.73170 0.61186 0.80450 -0.00050 0.04850  0.02576  702 TYR A CZ  
705  O OH  . TYR A 125 ? 0.79127 0.68200 0.91181 -0.00138 0.03793  0.02165  702 TYR A OH  
706  N N   . LYS A 126 ? 0.85515 0.65849 0.68229 -0.00601 0.06269  0.04812  703 LYS A N   
707  C CA  . LYS A 126 ? 0.91704 0.70568 0.70426 0.00341  0.05819  0.04038  703 LYS A CA  
708  C C   . LYS A 126 ? 0.85461 0.65269 0.66145 0.02076  0.05041  0.01977  703 LYS A C   
709  O O   . LYS A 126 ? 0.88241 0.68577 0.67865 0.02761  0.05615  0.00822  703 LYS A O   
710  C CB  . LYS A 126 ? 0.91755 0.72474 0.67540 -0.00295 0.08375  0.04043  703 LYS A CB  
711  C CG  . LYS A 126 ? 1.00708 0.82770 0.74847 -0.03222 0.10200  0.06282  703 LYS A CG  
712  C CD  . LYS A 126 ? 1.11995 0.88854 0.79278 -0.05221 0.08416  0.08801  703 LYS A CD  
713  C CE  . LYS A 126 ? 1.19379 0.90436 0.86671 -0.04611 0.03968  0.09497  703 LYS A CE  
714  N NZ  . LYS A 126 ? 1.28520 0.93036 0.88846 -0.06994 0.01157  0.12309  703 LYS A NZ  
715  N N   . ILE A 127 ? 0.79751 0.59903 0.62989 0.02522  0.03531  0.01493  704 ILE A N   
716  C CA  . ILE A 127 ? 0.79288 0.61311 0.64188 0.02925  0.03113  0.00063  704 ILE A CA  
717  C C   . ILE A 127 ? 0.78931 0.61242 0.62528 0.03610  0.01473  -0.01166 704 ILE A C   
718  O O   . ILE A 127 ? 0.84453 0.66085 0.67614 0.04556  -0.00406 -0.01652 704 ILE A O   
719  C CB  . ILE A 127 ? 0.76411 0.60001 0.64134 0.02764  0.02692  -0.00087 704 ILE A CB  
720  C CG1 . ILE A 127 ? 0.77024 0.60298 0.66503 0.02293  0.03765  0.00571  704 ILE A CG1 
721  C CG2 . ILE A 127 ? 0.70305 0.56588 0.58607 0.02221  0.02250  -0.01213 704 ILE A CG2 
722  C CD1 . ILE A 127 ? 0.82348 0.66079 0.73799 0.02274  0.02989  0.00622  704 ILE A CD1 
723  N N   . ASP A 128 ? 0.76099 0.59193 0.59357 0.03290  0.01505  -0.01986 705 ASP A N   
724  C CA  . ASP A 128 ? 0.78049 0.62274 0.60978 0.03808  -0.00183 -0.03494 705 ASP A CA  
725  C C   . ASP A 128 ? 0.78138 0.67609 0.64375 0.02929  -0.00599 -0.04874 705 ASP A C   
726  O O   . ASP A 128 ? 0.73546 0.66048 0.61166 0.04013  -0.02132 -0.06877 705 ASP A O   
727  C CB  . ASP A 128 ? 0.75597 0.57908 0.56333 0.03730  -0.00383 -0.03767 705 ASP A CB  
728  C CG  . ASP A 128 ? 0.82171 0.60834 0.58819 0.04668  0.00215  -0.02985 705 ASP A CG  
729  O OD1 . ASP A 128 ? 0.92512 0.69225 0.66865 0.05202  -0.00608 -0.02428 705 ASP A OD1 
730  O OD2 . ASP A 128 ? 0.84807 0.62542 0.60117 0.04798  0.01225  -0.03056 705 ASP A OD2 
731  N N   . TYR A 129 ? 0.75363 0.66276 0.62656 0.00905  0.00515  -0.04050 706 TYR A N   
732  C CA  . TYR A 129 ? 0.75628 0.72272 0.65034 -0.01008 0.00687  -0.04862 706 TYR A CA  
733  C C   . TYR A 129 ? 0.73605 0.70005 0.62796 -0.02365 0.01672  -0.03485 706 TYR A C   
734  O O   . TYR A 129 ? 0.74877 0.66466 0.62694 -0.02694 0.01771  -0.01909 706 TYR A O   
735  C CB  . TYR A 129 ? 0.78034 0.76064 0.67476 -0.03724 0.00168  -0.04798 706 TYR A CB  
736  C CG  . TYR A 129 ? 0.72397 0.70812 0.62276 -0.02470 -0.01270 -0.06434 706 TYR A CG  
737  C CD1 . TYR A 129 ? 0.72076 0.77372 0.65119 -0.02216 -0.01969 -0.09002 706 TYR A CD1 
738  C CD2 . TYR A 129 ? 0.78325 0.70750 0.65508 -0.01335 -0.02168 -0.05891 706 TYR A CD2 
739  C CE1 . TYR A 129 ? 0.72543 0.77796 0.66174 -0.00845 -0.03931 -0.10782 706 TYR A CE1 
740  C CE2 . TYR A 129 ? 0.76692 0.68680 0.63529 -0.00078 -0.03900 -0.07398 706 TYR A CE2 
741  C CZ  . TYR A 129 ? 0.74562 0.72508 0.64693 0.00132  -0.04986 -0.09728 706 TYR A CZ  
742  O OH  . TYR A 129 ? 0.76026 0.73133 0.66001 0.01633  -0.07328 -0.11503 706 TYR A OH  
743  N N   . VAL A 130 ? 0.69211 0.71096 0.59730 -0.02772 0.02101  -0.04575 707 VAL A N   
744  C CA  . VAL A 130 ? 0.66547 0.68618 0.55986 -0.04497 0.02772  -0.03373 707 VAL A CA  
745  C C   . VAL A 130 ? 0.71361 0.77416 0.59708 -0.08927 0.03264  -0.02662 707 VAL A C   
746  O O   . VAL A 130 ? 0.72884 0.86237 0.63136 -0.09962 0.03764  -0.04441 707 VAL A O   
747  C CB  . VAL A 130 ? 0.67093 0.72532 0.57723 -0.02187 0.02746  -0.05105 707 VAL A CB  
748  C CG1 . VAL A 130 ? 0.66698 0.72135 0.55433 -0.03958 0.03243  -0.03959 707 VAL A CG1 
749  C CG2 . VAL A 130 ? 0.64405 0.64743 0.55650 0.01118  0.01613  -0.05077 707 VAL A CG2 
750  N N   . ALA A 131 ? 0.72795 0.73897 0.58074 -0.11808 0.02663  -0.00096 708 ALA A N   
751  C CA  . ALA A 131 ? 0.76618 0.79254 0.59448 -0.17204 0.02364  0.01621  708 ALA A CA  
752  C C   . ALA A 131 ? 0.79764 0.83282 0.59245 -0.19841 0.02795  0.02996  708 ALA A C   
753  O O   . ALA A 131 ? 0.86477 0.83281 0.63948 -0.18513 0.01580  0.04113  708 ALA A O   
754  C CB  . ALA A 131 ? 0.80532 0.74618 0.61082 -0.18840 -0.00184 0.03635  708 ALA A CB  
755  N N   . HIS A 132 ? 0.87372 0.99772 0.66225 -0.23649 0.04492  0.02686  709 HIS A N   
756  C CA  . HIS A 132 ? 0.93930 1.09171 0.68902 -0.26208 0.05442  0.03545  709 HIS A CA  
757  C C   . HIS A 132 ? 0.93841 1.19253 0.67509 -0.32468 0.07402  0.03946  709 HIS A C   
758  O O   . HIS A 132 ? 0.90255 1.23000 0.68068 -0.33328 0.08397  0.02244  709 HIS A O   
759  C CB  . HIS A 132 ? 0.96401 1.15782 0.73680 -0.20919 0.06562  0.00379  709 HIS A CB  
760  C CG  . HIS A 132 ? 1.07862 1.24329 0.80401 -0.21635 0.06160  0.01638  709 HIS A CG  
761  N ND1 . HIS A 132 ? 1.10060 1.34503 0.78998 -0.25017 0.07983  0.01348  709 HIS A ND1 
762  C CD2 . HIS A 132 ? 1.09021 1.15802 0.79688 -0.19492 0.04006  0.03015  709 HIS A CD2 
763  C CE1 . HIS A 132 ? 1.12635 1.31268 0.76927 -0.24770 0.06707  0.02698  709 HIS A CE1 
764  N NE2 . HIS A 132 ? 1.13293 1.21086 0.78959 -0.21386 0.04097  0.03666  709 HIS A NE2 
765  N N   . ASP A 133 ? 1.08199 1.34323 0.75896 -0.37175 0.07871  0.06224  710 ASP A N   
766  C CA  . ASP A 133 ? 1.10761 1.48215 0.76615 -0.44131 0.10354  0.06824  710 ASP A CA  
767  C C   . ASP A 133 ? 1.08789 1.62346 0.79434 -0.40972 0.14020  0.01473  710 ASP A C   
768  O O   . ASP A 133 ? 1.06710 1.60324 0.79749 -0.34086 0.13950  -0.01840 710 ASP A O   
769  C CB  . ASP A 133 ? 1.19539 1.51839 0.75856 -0.50899 0.09408  0.11439  710 ASP A CB  
770  C CG  . ASP A 133 ? 1.33149 1.56631 0.85675 -0.46633 0.07732  0.11673  710 ASP A CG  
771  O OD1 . ASP A 133 ? 1.28945 1.54889 0.86379 -0.39316 0.08593  0.07766  710 ASP A OD1 
772  O OD2 . ASP A 133 ? 1.47430 1.60873 0.91955 -0.50680 0.04948  0.15765  710 ASP A OD2 
773  N N   . ASP A 134 ? 1.08579 1.42301 1.05089 -0.18704 0.17840  0.15875  711 ASP A N   
774  C CA  . ASP A 134 ? 1.15446 1.49929 1.09518 -0.17571 0.17381  0.09737  711 ASP A CA  
775  C C   . ASP A 134 ? 1.23134 1.59445 1.08762 -0.17869 0.20026  0.07647  711 ASP A C   
776  O O   . ASP A 134 ? 1.30935 1.65819 1.10047 -0.17695 0.17338  0.06002  711 ASP A O   
777  C CB  . ASP A 134 ? 1.06744 1.42004 1.06126 -0.16439 0.19705  0.06957  711 ASP A CB  
778  N N   . ASP A 144 ? 1.17253 1.36609 1.09492 -0.07388 -0.09276 -0.26846 739 ASP A N   
779  C CA  . ASP A 144 ? 1.09796 1.29134 1.02427 -0.09475 -0.10316 -0.20920 739 ASP A CA  
780  C C   . ASP A 144 ? 1.05885 1.23004 1.07571 -0.10285 -0.13677 -0.17217 739 ASP A C   
781  O O   . ASP A 144 ? 1.00602 1.16494 1.07920 -0.09270 -0.13866 -0.18615 739 ASP A O   
782  C CB  . ASP A 144 ? 1.09675 1.32929 1.01777 -0.10281 -0.04435 -0.17578 739 ASP A CB  
783  C CG  . ASP A 144 ? 1.03586 1.28006 1.04054 -0.10257 -0.01742 -0.14994 739 ASP A CG  
784  O OD1 . ASP A 144 ? 1.01754 1.27203 1.04578 -0.08814 0.00530  -0.18320 739 ASP A OD1 
785  O OD2 . ASP A 144 ? 1.02025 1.25918 1.06520 -0.11529 -0.01977 -0.09599 739 ASP A OD2 
786  N N   . ILE A 145 ? 1.07315 1.23677 1.10494 -0.12018 -0.16194 -0.12342 740 ILE A N   
787  C CA  . ILE A 145 ? 1.02988 1.17059 1.15373 -0.12878 -0.19489 -0.08538 740 ILE A CA  
788  C C   . ILE A 145 ? 0.95927 1.10824 1.15340 -0.12848 -0.15188 -0.04534 740 ILE A C   
789  O O   . ILE A 145 ? 0.94493 1.07105 1.21720 -0.13235 -0.16714 -0.01289 740 ILE A O   
790  C CB  . ILE A 145 ? 1.02128 1.15381 1.14824 -0.14647 -0.23659 -0.04561 740 ILE A CB  
791  C CG1 . ILE A 145 ? 1.04938 1.21107 1.16535 -0.15671 -0.19632 0.00383  740 ILE A CG1 
792  C CG2 . ILE A 145 ? 1.08890 1.20174 1.12521 -0.14437 -0.28159 -0.08652 740 ILE A CG2 
793  C CD1 . ILE A 145 ? 1.07326 1.22782 1.21615 -0.17323 -0.23631 0.05249  740 ILE A CD1 
794  N N   . TYR A 146 ? 0.92982 1.10574 1.09846 -0.12334 -0.09805 -0.04594 741 TYR A N   
795  C CA  . TYR A 146 ? 0.86980 1.04260 1.09075 -0.12025 -0.06069 -0.01227 741 TYR A CA  
796  C C   . TYR A 146 ? 0.78547 0.95244 1.01017 -0.10130 -0.04085 -0.05316 741 TYR A C   
797  O O   . TYR A 146 ? 0.73374 0.88978 0.98703 -0.09524 -0.01193 -0.03215 741 TYR A O   
798  C CB  . TYR A 146 ? 0.91607 1.11633 1.11634 -0.13029 -0.01983 0.02732  741 TYR A CB  
799  C CG  . TYR A 146 ? 0.96728 1.17063 1.16971 -0.14744 -0.04076 0.07262  741 TYR A CG  
800  C CD1 . TYR A 146 ? 0.92725 1.10634 1.19733 -0.15388 -0.07633 0.10578  741 TYR A CD1 
801  C CD2 . TYR A 146 ? 0.99764 1.22656 1.13852 -0.15681 -0.02590 0.08275  741 TYR A CD2 
802  C CE1 . TYR A 146 ? 0.94126 1.12474 1.22460 -0.16879 -0.10078 0.14682  741 TYR A CE1 
803  C CE2 . TYR A 146 ? 0.97619 1.20395 1.11699 -0.17077 -0.05050 0.12390  741 TYR A CE2 
804  C CZ  . TYR A 146 ? 0.99535 1.20198 1.21078 -0.17650 -0.09016 0.15516  741 TYR A CZ  
805  O OH  . TYR A 146 ? 1.02944 1.23643 1.25626 -0.18968 -0.11963 0.19602  741 TYR A OH  
806  N N   . ALA A 147 ? 0.81507 0.98312 1.01060 -0.08997 -0.05884 -0.11135 742 ALA A N   
807  C CA  . ALA A 147 ? 0.80395 0.96718 1.00995 -0.07027 -0.04521 -0.15249 742 ALA A CA  
808  C C   . ALA A 147 ? 0.76247 0.87956 1.02571 -0.06164 -0.05673 -0.13509 742 ALA A C   
809  O O   . ALA A 147 ? 0.68038 0.78631 0.95756 -0.04927 -0.03334 -0.13579 742 ALA A O   
810  C CB  . ALA A 147 ? 0.80192 0.96906 0.97200 -0.05809 -0.06605 -0.21650 742 ALA A CB  
811  N N   . TRP A 148 ? 0.74493 0.82953 1.04077 -0.06724 -0.09401 -0.11985 743 TRP A N   
812  C CA  . TRP A 148 ? 0.69370 0.72851 1.04180 -0.05867 -0.09936 -0.10018 743 TRP A CA  
813  C C   . TRP A 148 ? 0.67282 0.69505 1.03894 -0.05934 -0.05929 -0.04684 743 TRP A C   
814  O O   . TRP A 148 ? 0.65614 0.63535 1.03689 -0.04418 -0.04724 -0.04056 743 TRP A O   
815  C CB  . TRP A 148 ? 0.71902 0.72512 1.11238 -0.06914 -0.14141 -0.08300 743 TRP A CB  
816  C CG  . TRP A 148 ? 0.70907 0.72506 1.13537 -0.08990 -0.14266 -0.02502 743 TRP A CG  
817  C CD1 . TRP A 148 ? 0.76380 0.81392 1.16343 -0.10555 -0.15771 -0.01900 743 TRP A CD1 
818  C CD2 . TRP A 148 ? 0.70377 0.69142 1.19754 -0.09542 -0.12871 0.03569  743 TRP A CD2 
819  N NE1 . TRP A 148 ? 0.74969 0.79848 1.20293 -0.12096 -0.15850 0.04116  743 TRP A NE1 
820  C CE2 . TRP A 148 ? 0.70432 0.71738 1.22041 -0.11510 -0.13805 0.07580  743 TRP A CE2 
821  C CE3 . TRP A 148 ? 0.69883 0.63759 1.23293 -0.08384 -0.10692 0.06110  743 TRP A CE3 
822  C CZ2 . TRP A 148 ? 0.66109 0.65904 1.25146 -0.12376 -0.12491 0.13972  743 TRP A CZ2 
823  C CZ3 . TRP A 148 ? 0.69937 0.61820 1.29792 -0.09199 -0.08890 0.12560  743 TRP A CZ3 
824  C CH2 . TRP A 148 ? 0.64449 0.59639 1.27693 -0.11193 -0.09732 0.16387  743 TRP A CH2 
825  N N   . LEU A 149 ? 0.71408 0.76616 1.07262 -0.07502 -0.03930 -0.00800 744 LEU A N   
826  C CA  . LEU A 149 ? 0.65085 0.68976 1.01923 -0.07483 0.00074  0.04182  744 LEU A CA  
827  C C   . LEU A 149 ? 0.64499 0.69249 0.97591 -0.06239 0.03126  0.01895  744 LEU A C   
828  O O   . LEU A 149 ? 0.65136 0.65848 0.98512 -0.04997 0.05264  0.03803  744 LEU A O   
829  C CB  . LEU A 149 ? 0.64210 0.71051 1.01587 -0.09477 0.00903  0.08790  744 LEU A CB  
830  C CG  . LEU A 149 ? 0.67025 0.72632 1.10058 -0.10735 -0.02258 0.12051  744 LEU A CG  
831  C CD1 . LEU A 149 ? 0.63470 0.72882 1.05615 -0.12616 -0.03183 0.14491  744 LEU A CD1 
832  C CD2 . LEU A 149 ? 0.59553 0.60560 1.08546 -0.10236 -0.00146 0.17240  744 LEU A CD2 
833  N N   . LYS A 150 ? 0.64135 0.73675 0.93724 -0.06472 0.03361  -0.02156 745 LYS A N   
834  C CA  . LYS A 150 ? 0.57517 0.68318 0.85277 -0.05386 0.05837  -0.04725 745 LYS A CA  
835  C C   . LYS A 150 ? 0.60073 0.67055 0.89042 -0.03084 0.04268  -0.08441 745 LYS A C   
836  O O   . LYS A 150 ? 0.56968 0.61739 0.85723 -0.01812 0.05698  -0.08605 745 LYS A O   
837  C CB  . LYS A 150 ? 0.59505 0.76290 0.84227 -0.06102 0.06802  -0.08241 745 LYS A CB  
838  C CG  . LYS A 150 ? 0.61858 0.81867 0.84134 -0.08210 0.08095  -0.04865 745 LYS A CG  
839  C CD  . LYS A 150 ? 0.62617 0.87591 0.80762 -0.08614 0.09471  -0.08602 745 LYS A CD  
840  C CE  . LYS A 150 ? 0.65838 0.93165 0.80307 -0.10567 0.10669  -0.05113 745 LYS A CE  
841  N NZ  . LYS A 150 ? 0.69552 1.00267 0.78567 -0.10778 0.11712  -0.08586 745 LYS A NZ  
842  N N   . ARG A 151 ? 0.60753 0.66398 0.90748 -0.02424 0.00961  -0.11538 746 ARG A N   
843  C CA  . ARG A 151 ? 0.61847 0.63104 0.92944 -0.00128 -0.00739 -0.14653 746 ARG A CA  
844  C C   . ARG A 151 ? 0.65022 0.59433 0.96932 0.00794  0.00132  -0.10347 746 ARG A C   
845  O O   . ARG A 151 ? 0.67905 0.58161 0.99016 0.02867  -0.00089 -0.11942 746 ARG A O   
846  C CB  . ARG A 151 ? 0.65141 0.65278 0.97287 0.00342  -0.04527 -0.18142 746 ARG A CB  
847  C CG  . ARG A 151 ? 0.67096 0.70685 0.98014 0.01536  -0.05462 -0.24705 746 ARG A CG  
848  C CD  . ARG A 151 ? 0.70917 0.71916 1.02615 0.02463  -0.09374 -0.28293 746 ARG A CD  
849  N NE  . ARG A 151 ? 0.82705 0.83931 1.14151 0.00592  -0.11453 -0.26504 746 ARG A NE  
850  C CZ  . ARG A 151 ? 0.86540 0.91218 1.14868 -0.00109 -0.12527 -0.29347 746 ARG A CZ  
851  N NH1 . ARG A 151 ? 0.94955 1.03322 1.20396 0.00992  -0.11084 -0.34206 746 ARG A NH1 
852  N NH2 . ARG A 151 ? 0.78937 0.83025 1.07014 -0.01851 -0.15055 -0.27194 746 ARG A NH2 
853  N N   . ALA A 152 ? 0.70092 0.63103 0.86724 0.13226  -0.00268 -0.22199 747 ALA A N   
854  C CA  . ALA A 152 ? 0.71639 0.61155 0.83745 0.14007  -0.01819 -0.18275 747 ALA A CA  
855  C C   . ALA A 152 ? 0.74570 0.65359 0.82558 0.14122  -0.02353 -0.17126 747 ALA A C   
856  O O   . ALA A 152 ? 0.81250 0.69721 0.84388 0.14703  -0.03181 -0.14243 747 ALA A O   
857  C CB  . ALA A 152 ? 0.74643 0.62292 0.83827 0.12538  -0.00336 -0.16321 747 ALA A CB  
858  N N   . GLY A 153 ? 0.75365 0.69657 0.85336 0.13529  -0.01746 -0.19424 748 GLY A N   
859  C CA  . GLY A 153 ? 0.65974 0.61031 0.72920 0.13378  -0.02216 -0.18800 748 GLY A CA  
860  C C   . GLY A 153 ? 0.67964 0.62781 0.69874 0.12038  -0.00289 -0.17117 748 GLY A C   
861  O O   . GLY A 153 ? 0.72518 0.67122 0.71696 0.12125  -0.00663 -0.16564 748 GLY A O   
862  N N   . LYS A 154 ? 0.69372 0.64389 0.70568 0.10890  0.01564  -0.16644 749 LYS A N   
863  C CA  . LYS A 154 ? 0.74726 0.69570 0.71849 0.10053  0.02916  -0.14735 749 LYS A CA  
864  C C   . LYS A 154 ? 0.77506 0.75054 0.74507 0.08533  0.04702  -0.15435 749 LYS A C   
865  O O   . LYS A 154 ? 0.84281 0.82152 0.78758 0.07995  0.05590  -0.13951 749 LYS A O   
866  C CB  . LYS A 154 ? 0.74761 0.68161 0.71430 0.09758  0.03351  -0.13381 749 LYS A CB  
867  C CG  . LYS A 154 ? 0.80066 0.70252 0.74599 0.11023  0.02241  -0.11012 749 LYS A CG  
868  C CD  . LYS A 154 ? 0.86851 0.75500 0.82395 0.10209  0.03044  -0.09664 749 LYS A CD  
869  C CE  . LYS A 154 ? 0.91803 0.76963 0.84683 0.11222  0.02464  -0.06472 749 LYS A CE  
870  N NZ  . LYS A 154 ? 1.04090 0.89687 0.91724 0.11638  0.03330  -0.04623 749 LYS A NZ  
871  N N   . PHE A 155 ? 0.76652 0.76318 0.76369 0.07890  0.05300  -0.17401 750 PHE A N   
872  C CA  . PHE A 155 ? 0.74311 0.76375 0.73151 0.06363  0.07186  -0.17497 750 PHE A CA  
873  C C   . PHE A 155 ? 0.72536 0.74631 0.71716 0.06027  0.07437  -0.17112 750 PHE A C   
874  O O   . PHE A 155 ? 0.79048 0.81768 0.81802 0.06146  0.06962  -0.18729 750 PHE A O   
875  C CB  . PHE A 155 ? 0.74316 0.79093 0.75649 0.05484  0.08504  -0.20016 750 PHE A CB  
876  C CG  . PHE A 155 ? 0.80299 0.87657 0.79546 0.03913  0.10545  -0.19761 750 PHE A CG  
877  C CD1 . PHE A 155 ? 0.90046 0.98391 0.85802 0.03235  0.10934  -0.18986 750 PHE A CD1 
878  C CD2 . PHE A 155 ? 0.83604 0.92473 0.84353 0.03024  0.11976  -0.20009 750 PHE A CD2 
879  C CE1 . PHE A 155 ? 0.94645 1.05310 0.87397 0.01968  0.12499  -0.18206 750 PHE A CE1 
880  C CE2 . PHE A 155 ? 0.84580 0.95466 0.82613 0.01474  0.14104  -0.18983 750 PHE A CE2 
881  C CZ  . PHE A 155 ? 0.86956 0.98645 0.80459 0.01092  0.14241  -0.17932 750 PHE A CZ  
882  N N   . LYS A 156 ? 0.73802 0.75257 0.70110 0.05609  0.08065  -0.15108 751 LYS A N   
883  C CA  . LYS A 156 ? 0.73777 0.74583 0.70709 0.04985  0.08561  -0.14514 751 LYS A CA  
884  C C   . LYS A 156 ? 0.82851 0.85256 0.78393 0.03438  0.10600  -0.13101 751 LYS A C   
885  O O   . LYS A 156 ? 0.80794 0.83267 0.73107 0.03594  0.10702  -0.11280 751 LYS A O   
886  C CB  . LYS A 156 ? 0.73761 0.71678 0.68593 0.06152  0.07487  -0.13228 751 LYS A CB  
887  C CG  . LYS A 156 ? 0.78544 0.74853 0.74112 0.07443  0.05500  -0.14712 751 LYS A CG  
888  C CD  . LYS A 156 ? 0.76743 0.74141 0.76818 0.06697  0.04967  -0.16842 751 LYS A CD  
889  C CE  . LYS A 156 ? 0.79983 0.75888 0.80395 0.08021  0.02347  -0.18388 751 LYS A CE  
890  N NZ  . LYS A 156 ? 0.82652 0.76245 0.82035 0.07995  0.02141  -0.18441 751 LYS A NZ  
891  N N   . ALA A 157 ? 0.79444 0.83362 0.77456 0.01951  0.12191  -0.13749 752 ALA A N   
892  C CA  . ALA A 157 ? 0.83119 0.88557 0.78897 0.00355  0.14436  -0.11932 752 ALA A CA  
893  C C   . ALA A 157 ? 0.84721 0.87247 0.79149 0.00099  0.14542  -0.08796 752 ALA A C   
894  O O   . ALA A 157 ? 0.85400 0.85329 0.82617 0.00294  0.13781  -0.09046 752 ALA A O   
895  C CB  . ALA A 157 ? 0.77703 0.86129 0.76785 -0.01353 0.16818  -0.13576 752 ALA A CB  
896  N N   . THR A 158 ? 0.89681 0.92553 0.79967 -0.00234 0.15242  -0.05987 753 THR A N   
897  C CA  . THR A 158 ? 0.95127 0.95131 0.84418 -0.00556 0.15634  -0.02453 753 THR A CA  
898  C C   . THR A 158 ? 1.00307 1.02140 0.86672 -0.02460 0.18064  0.00014  753 THR A C   
899  O O   . THR A 158 ? 1.01832 1.07512 0.85520 -0.03091 0.19092  -0.01126 753 THR A O   
900  C CB  . THR A 158 ? 0.93529 0.91720 0.80391 0.01450  0.13661  -0.00474 753 THR A CB  
901  O OG1 . THR A 158 ? 0.92958 0.94402 0.76394 0.01899  0.13003  -0.00543 753 THR A OG1 
902  C CG2 . THR A 158 ? 0.84037 0.80025 0.73330 0.03168  0.11990  -0.02459 753 THR A CG2 
903  N N   . GLN A 159 ? 1.01849 1.00669 0.88554 -0.03394 0.19088  0.03403  754 GLN A N   
904  C CA  . GLN A 159 ? 1.06285 1.06181 0.90086 -0.05513 0.21886  0.06571  754 GLN A CA  
905  C C   . GLN A 159 ? 1.07668 1.05846 0.85919 -0.04596 0.20868  0.11452  754 GLN A C   
906  O O   . GLN A 159 ? 1.09252 1.03955 0.88397 -0.02657 0.18516  0.12909  754 GLN A O   
907  C CB  . GLN A 159 ? 1.02706 1.00257 0.91657 -0.07769 0.24201  0.07468  754 GLN A CB  
908  C CG  . GLN A 159 ? 1.06800 1.07190 1.01762 -0.08932 0.25336  0.02885  754 GLN A CG  
909  C CD  . GLN A 159 ? 0.96416 0.95546 0.95237 -0.06928 0.22155  -0.00900 754 GLN A CD  
910  O OE1 . GLN A 159 ? 0.99929 0.95008 1.01911 -0.06475 0.20676  -0.00845 754 GLN A OE1 
911  N NE2 . GLN A 159 ? 0.91421 0.93784 0.89717 -0.05686 0.21097  -0.04203 754 GLN A NE2 
912  N N   . ARG A 160 ? 1.11450 1.12350 0.83904 -0.05828 0.22609  0.13875  755 ARG A N   
913  C CA  . ARG A 160 ? 1.13457 1.12916 0.80120 -0.05048 0.21505  0.19189  755 ARG A CA  
914  C C   . ARG A 160 ? 1.19888 1.14731 0.87555 -0.06664 0.23639  0.24209  755 ARG A C   
915  O O   . ARG A 160 ? 1.22127 1.15841 0.94796 -0.08868 0.26368  0.23237  755 ARG A O   
916  C CB  . ARG A 160 ? 1.08854 1.13530 0.67564 -0.05482 0.21942  0.19439  755 ARG A CB  
917  N N   . THR A 161 ? 1.21959 1.14012 0.85492 -0.05549 0.22193  0.29737  756 THR A N   
918  C CA  . THR A 161 ? 1.33354 1.20354 0.97059 -0.07085 0.24184  0.35585  756 THR A CA  
919  C C   . THR A 161 ? 1.47513 1.36072 1.01560 -0.07288 0.24496  0.41259  756 THR A C   
920  O O   . THR A 161 ? 1.54623 1.42664 1.04807 -0.04630 0.20890  0.44060  756 THR A O   
921  C CB  . THR A 161 ? 1.30857 1.10960 1.00198 -0.05120 0.21784  0.37433  756 THR A CB  
922  O OG1 . THR A 161 ? 1.28258 1.06932 1.05698 -0.05455 0.21979  0.32193  756 THR A OG1 
923  C CG2 . THR A 161 ? 1.39575 1.13627 1.08671 -0.06537 0.23502  0.44419  756 THR A CG2 
924  N N   . GLU A 162 ? 1.52452 1.43357 1.02596 -0.10363 0.28777  0.42872  757 GLU A N   
925  C CA  . GLU A 162 ? 1.51976 1.44298 0.91660 -0.10824 0.29532  0.48667  757 GLU A CA  
926  C C   . GLU A 162 ? 1.64479 1.49606 1.03510 -0.09774 0.27929  0.56520  757 GLU A C   
927  O O   . GLU A 162 ? 1.66459 1.45249 1.13733 -0.09890 0.28004  0.57503  757 GLU A O   
928  C CB  . GLU A 162 ? 1.57448 1.53186 0.93934 -0.14629 0.35434  0.49101  757 GLU A CB  
929  N N   . GLY A 163 ? 1.71825 1.57871 1.01076 -0.08501 0.26053  0.61911  758 GLY A N   
930  C CA  . GLY A 163 ? 1.81362 1.60672 1.08467 -0.07714 0.25001  0.70641  758 GLY A CA  
931  C C   . GLY A 163 ? 1.83648 1.59721 1.12700 -0.03292 0.18986  0.72647  758 GLY A C   
932  O O   . GLY A 163 ? 1.91605 1.65108 1.15003 -0.01802 0.16311  0.78513  758 GLY A O   
933  N N   . VAL A 164 ? 1.94192 1.70240 1.31769 -0.01236 0.16516  0.66650  759 VAL A N   
934  C CA  . VAL A 164 ? 1.94305 1.66695 1.36412 0.02851  0.11705  0.68086  759 VAL A CA  
935  C C   . VAL A 164 ? 1.91374 1.69929 1.27980 0.05872  0.06971  0.67418  759 VAL A C   
936  O O   . VAL A 164 ? 1.86952 1.65762 1.29064 0.09155  0.03214  0.65113  759 VAL A O   
937  C CB  . VAL A 164 ? 1.88931 1.58942 1.42201 0.03686  0.11530  0.61817  759 VAL A CB  
938  N N   . SER A 165 ? 1.83317 1.67192 1.09332 0.04764  0.07128  0.69158  760 SER A N   
939  C CA  . SER A 165 ? 1.80266 1.71274 1.01471 0.06959  0.02721  0.66711  760 SER A CA  
940  C C   . SER A 165 ? 1.91225 1.80857 1.07757 0.09855  -0.02150 0.72910  760 SER A C   
941  O O   . SER A 165 ? 2.03555 1.88105 1.15279 0.08789  -0.01367 0.78062  760 SER A O   
942  C CB  . SER A 165 ? 1.81493 1.79645 0.94212 0.04292  0.05005  0.63056  760 SER A CB  
943  O OG  . SER A 165 ? 1.91269 1.93146 0.95049 0.05374  0.01246  0.64204  760 SER A OG  
944  N N   . THR A 166 ? 1.17376 1.49494 1.38391 -0.11934 -0.16067 -0.08219 761 THR A N   
945  C CA  . THR A 166 ? 1.20282 1.44188 1.29313 -0.10001 -0.13342 -0.11713 761 THR A CA  
946  C C   . THR A 166 ? 1.08243 1.35127 1.20974 -0.10738 -0.08584 -0.14910 761 THR A C   
947  O O   . THR A 166 ? 1.12319 1.34077 1.15088 -0.13271 -0.07777 -0.16104 761 THR A O   
948  C CB  . THR A 166 ? 1.17590 1.40183 1.26428 -0.04815 -0.12525 -0.12302 761 THR A CB  
949  O OG1 . THR A 166 ? 1.07289 1.27131 1.10909 -0.04623 -0.17095 -0.09354 761 THR A OG1 
950  C CG2 . THR A 166 ? 1.18048 1.34524 1.15470 -0.02445 -0.09592 -0.15831 761 THR A CG2 
951  N N   . THR A 167 ? 0.99486 1.34553 1.26467 -0.08632 -0.05147 -0.16350 762 THR A N   
952  C CA  . THR A 167 ? 0.93788 1.34645 1.27275 -0.10120 -0.00623 -0.19529 762 THR A CA  
953  C C   . THR A 167 ? 0.95445 1.35321 1.23230 -0.15508 -0.01571 -0.19046 762 THR A C   
954  O O   . THR A 167 ? 0.94674 1.31734 1.14394 -0.16896 0.00883  -0.21127 762 THR A O   
955  C CB  . THR A 167 ? 0.88706 1.39888 1.41727 -0.08943 0.01575  -0.19767 762 THR A CB  
956  O OG1 . THR A 167 ? 0.84184 1.35129 1.42476 -0.04297 0.02965  -0.20198 762 THR A OG1 
957  C CG2 . THR A 167 ? 0.80491 1.38810 1.40871 -0.10807 0.06590  -0.23799 762 THR A CG2 
958  N N   . ASP A 168 ? 0.95473 1.38199 1.27261 -0.18832 -0.05110 -0.16049 763 ASP A N   
959  C CA  . ASP A 168 ? 0.94433 1.37292 1.22053 -0.24852 -0.05838 -0.15742 763 ASP A CA  
960  C C   . ASP A 168 ? 1.01917 1.32216 1.10653 -0.26820 -0.06565 -0.15970 763 ASP A C   
961  O O   . ASP A 168 ? 0.99543 1.28131 1.03090 -0.31397 -0.05449 -0.16512 763 ASP A O   
962  C CB  . ASP A 168 ? 0.98802 1.47268 1.32651 -0.28078 -0.10006 -0.12369 763 ASP A CB  
963  C CG  . ASP A 168 ? 0.94913 1.54122 1.46735 -0.24408 -0.09953 -0.10799 763 ASP A CG  
964  O OD1 . ASP A 168 ? 0.90555 1.50499 1.48555 -0.19449 -0.06764 -0.12577 763 ASP A OD1 
965  O OD2 . ASP A 168 ? 0.95786 1.62866 1.55682 -0.26468 -0.12886 -0.07719 763 ASP A OD2 
966  N N   . LEU A 169 ? 1.06480 1.27901 1.05039 -0.23313 -0.08158 -0.15509 764 LEU A N   
967  C CA  . LEU A 169 ? 1.08621 1.17221 0.89533 -0.24225 -0.08761 -0.15562 764 LEU A CA  
968  C C   . LEU A 169 ? 1.10089 1.15994 0.85199 -0.21508 -0.04632 -0.17644 764 LEU A C   
969  O O   . LEU A 169 ? 1.20062 1.18064 0.83790 -0.23650 -0.03813 -0.17351 764 LEU A O   
970  C CB  . LEU A 169 ? 1.19947 1.21216 0.92679 -0.21511 -0.12133 -0.14454 764 LEU A CB  
971  N N   . ILE A 170 ? 1.01666 1.14121 0.84145 -0.16972 -0.01862 -0.19610 765 ILE A N   
972  C CA  . ILE A 170 ? 1.07548 1.21018 0.86178 -0.15225 0.02329  -0.21765 765 ILE A CA  
973  C C   . ILE A 170 ? 1.09565 1.26621 0.89893 -0.20381 0.04395  -0.21970 765 ILE A C   
974  O O   . ILE A 170 ? 1.19152 1.30822 0.88741 -0.21433 0.05794  -0.21426 765 ILE A O   
975  C CB  . ILE A 170 ? 0.92166 1.14812 0.81246 -0.11187 0.05556  -0.24685 765 ILE A CB  
976  N N   . VAL A 171 ? 0.95374 1.21740 0.89230 -0.23672 0.04513  -0.22371 766 VAL A N   
977  C CA  . VAL A 171 ? 0.97445 1.28207 0.93424 -0.29382 0.06094  -0.22576 766 VAL A CA  
978  C C   . VAL A 171 ? 1.12028 1.30662 0.92139 -0.33078 0.04363  -0.20111 766 VAL A C   
979  O O   . VAL A 171 ? 1.18403 1.34281 0.90701 -0.34527 0.06807  -0.19993 766 VAL A O   
980  C CB  . VAL A 171 ? 0.84725 1.25373 0.95555 -0.32522 0.04908  -0.22388 766 VAL A CB  
981  C CG1 . VAL A 171 ? 0.83618 1.30255 0.96980 -0.38569 0.06838  -0.23087 766 VAL A CG1 
982  C CG2 . VAL A 171 ? 0.74108 1.24733 1.00868 -0.28176 0.06876  -0.24469 766 VAL A CG2 
983  N N   . ARG A 172 ? 1.13802 1.24802 0.88698 -0.34646 0.00289  -0.18048 767 ARG A N   
984  C CA  . ARG A 172 ? 1.22213 1.20481 0.82519 -0.38763 -0.01129 -0.16186 767 ARG A CA  
985  C C   . ARG A 172 ? 1.34983 1.22382 0.81204 -0.35135 0.00737  -0.15639 767 ARG A C   
986  O O   . ARG A 172 ? 1.46338 1.27222 0.83676 -0.38355 0.02295  -0.14362 767 ARG A O   
987  C CB  . ARG A 172 ? 1.27168 1.19616 0.84132 -0.40045 -0.05534 -0.14953 767 ARG A CB  
988  C CG  . ARG A 172 ? 1.22300 1.26163 0.92097 -0.44413 -0.07595 -0.14589 767 ARG A CG  
989  C CD  . ARG A 172 ? 1.26114 1.29167 0.96184 -0.44356 -0.12034 -0.13272 767 ARG A CD  
990  N NE  . ARG A 172 ? 1.27524 1.16787 0.82212 -0.47045 -0.14164 -0.12829 767 ARG A NE  
991  C CZ  . ARG A 172 ? 1.31073 1.20665 0.84702 -0.50690 -0.17866 -0.12023 767 ARG A CZ  
992  N NH1 . ARG A 172 ? 1.24147 1.27532 0.90899 -0.52260 -0.20131 -0.10773 767 ARG A NH1 
993  N NH2 . ARG A 172 ? 1.42236 1.18556 0.81531 -0.52696 -0.19184 -0.12485 767 ARG A NH2 
994  N N   . ILE A 173 ? 1.35798 1.21564 0.79900 -0.28339 0.00687  -0.16290 768 ILE A N   
995  C CA  . ILE A 173 ? 1.46195 1.24045 0.78046 -0.23987 0.02572  -0.15625 768 ILE A CA  
996  C C   . ILE A 173 ? 1.51803 1.36294 0.84988 -0.25192 0.06546  -0.15762 768 ILE A C   
997  O O   . ILE A 173 ? 1.65086 1.42404 0.86914 -0.23870 0.08112  -0.13834 768 ILE A O   
998  C CB  . ILE A 173 ? 1.40999 1.20216 0.72862 -0.16708 0.02285  -0.16911 768 ILE A CB  
999  N N   . LEU A 174 ? 1.40274 1.38848 0.87370 -0.27686 0.08350  -0.17880 769 LEU A N   
1000 C CA  . LEU A 174 ? 1.40423 1.47969 0.89986 -0.28752 0.12435  -0.18835 769 LEU A CA  
1001 C C   . LEU A 174 ? 1.52171 1.58123 0.98389 -0.35697 0.13233  -0.16989 769 LEU A C   
1002 O O   . LEU A 174 ? 1.50735 1.58851 0.92191 -0.36507 0.16132  -0.16065 769 LEU A O   
1003 C CB  . LEU A 174 ? 1.23857 1.47467 0.90102 -0.28002 0.14770  -0.22819 769 LEU A CB  
1004 C CG  . LEU A 174 ? 1.18677 1.44574 0.87189 -0.21378 0.15257  -0.24880 769 LEU A CG  
1005 C CD1 . LEU A 174 ? 0.94487 1.35049 0.79307 -0.21006 0.18483  -0.29205 769 LEU A CD1 
1006 C CD2 . LEU A 174 ? 1.15603 1.37500 0.71392 -0.17289 0.16770  -0.23940 769 LEU A CD2 
1007 N N   . LYS A 175 ? 1.62483 1.65139 1.10483 -0.41035 0.10723  -0.16217 770 LYS A N   
1008 C CA  . LYS A 175 ? 1.71702 1.72733 1.16108 -0.48455 0.11552  -0.14618 770 LYS A CA  
1009 C C   . LYS A 175 ? 1.84166 1.70635 1.11505 -0.48449 0.12401  -0.11017 770 LYS A C   
1010 O O   . LYS A 175 ? 1.86688 1.73996 1.10512 -0.53038 0.14664  -0.09395 770 LYS A O   
1011 C CB  . LYS A 175 ? 1.76979 1.76427 1.24720 -0.54203 0.08444  -0.14460 770 LYS A CB  
1012 N N   . ASN A 176 ? 1.84538 1.57777 1.01325 -0.43174 0.10796  -0.09553 771 ASN A N   
1013 C CA  . ASN A 176 ? 1.97100 1.55544 0.97972 -0.41563 0.11822  -0.05836 771 ASN A CA  
1014 C C   . ASN A 176 ? 1.94150 1.59663 0.93184 -0.38861 0.15352  -0.04350 771 ASN A C   
1015 O O   . ASN A 176 ? 1.95989 1.51174 0.82819 -0.38258 0.16678  -0.00279 771 ASN A O   
1016 C CB  . ASN A 176 ? 2.01315 1.47055 0.93538 -0.35152 0.09659  -0.05443 771 ASN A CB  
1017 C CG  . ASN A 176 ? 2.18093 1.46226 0.93908 -0.33087 0.10641  -0.01514 771 ASN A CG  
1018 O OD1 . ASN A 176 ? 2.21748 1.41526 0.91042 -0.38582 0.11818  0.01095  771 ASN A OD1 
1019 N ND2 . ASN A 176 ? 2.23523 1.45880 0.92750 -0.25005 0.10332  -0.00995 771 ASN A ND2 
1020 N N   . TYR A 177 ? 1.82004 1.65089 0.92967 -0.37457 0.17103  -0.07489 772 TYR A N   
1021 C CA  . TYR A 177 ? 1.70593 1.64159 0.81509 -0.36260 0.20677  -0.06929 772 TYR A CA  
1022 C C   . TYR A 177 ? 1.63522 1.74482 0.87889 -0.42034 0.22960  -0.10182 772 TYR A C   
1023 O O   . TYR A 177 ? 1.59716 1.85074 0.90255 -0.40485 0.25909  -0.12605 772 TYR A O   
1024 C CB  . TYR A 177 ? 1.61639 1.60419 0.72513 -0.28105 0.21433  -0.08380 772 TYR A CB  
1025 C CG  . TYR A 177 ? 1.77638 1.61838 0.79250 -0.22081 0.18668  -0.06914 772 TYR A CG  
1026 C CD1 . TYR A 177 ? 1.86112 1.57781 0.73141 -0.18177 0.18795  -0.02385 772 TYR A CD1 
1027 C CD2 . TYR A 177 ? 1.73301 1.56602 0.80949 -0.20202 0.16056  -0.09899 772 TYR A CD2 
1028 C CE1 . TYR A 177 ? 1.90541 1.50634 0.72194 -0.12191 0.16212  -0.01551 772 TYR A CE1 
1029 C CE2 . TYR A 177 ? 1.89396 1.60417 0.88534 -0.15111 0.13623  -0.08940 772 TYR A CE2 
1030 C CZ  . TYR A 177 ? 1.99348 1.58844 0.85680 -0.11117 0.13787  -0.05069 772 TYR A CZ  
1031 O OH  . TYR A 177 ? 2.03571 1.53537 0.86553 -0.05755 0.11204  -0.04467 772 TYR A OH  
1032 N N   . GLU A 178 ? 1.62743 1.73449 0.91918 -0.48930 0.21851  -0.10650 773 GLU A N   
1033 C CA  . GLU A 178 ? 1.46258 1.73288 0.87641 -0.54677 0.24186  -0.13572 773 GLU A CA  
1034 C C   . GLU A 178 ? 1.50906 1.82933 0.86413 -0.57608 0.27547  -0.11297 773 GLU A C   
1035 O O   . GLU A 178 ? 1.60557 1.80109 0.82414 -0.59030 0.27333  -0.06197 773 GLU A O   
1036 C CB  . GLU A 178 ? 1.39115 1.64488 0.84974 -0.61655 0.22114  -0.13819 773 GLU A CB  
1037 N N   . ASP A 179 ? 1.40522 1.90923 0.86439 -0.58613 0.30884  -0.15062 774 ASP A N   
1038 C CA  . ASP A 179 ? 1.34552 1.92445 0.76414 -0.60650 0.33760  -0.13202 774 ASP A CA  
1039 C C   . ASP A 179 ? 1.47344 1.99450 0.80930 -0.68687 0.34115  -0.08883 774 ASP A C   
1040 O O   . ASP A 179 ? 1.55728 2.05379 0.81946 -0.68279 0.34439  -0.04666 774 ASP A O   
1041 C CB  . ASP A 179 ? 1.22513 1.98524 0.81156 -0.59823 0.34656  -0.18913 774 ASP A CB  
# 
