data_9HSX
# 
_entry.id   9HSX 
# 
_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   9HSX         pdb_00009hsx 10.2210/pdb9hsx/pdb 
WWPDB D_1292144131 ?            ?                   
# 
_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                        9HSX 
_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 2-aminopyridine
;
_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 pyridin-2-amine                          94.115    2  ?        ? ? ?                                            
3 water       nat water                                    18.015    32 ?        ? ? ?                                            
# 
_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 pyridin-2-amine HVK 
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  
HVK non-polymer         . pyridin-2-amine ? 'C5 H6 N2'       94.115  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   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 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        HVK 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   HVK 
_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 HVK 1  801 7  HVK LIG A . 
C 2 HVK 1  802 10 HVK LIG A . 
D 3 HOH 1  901 19 HOH HOH A . 
D 3 HOH 2  902 1  HOH HOH A . 
D 3 HOH 3  903 16 HOH HOH A . 
D 3 HOH 4  904 4  HOH HOH A . 
D 3 HOH 5  905 5  HOH HOH A . 
D 3 HOH 6  906 2  HOH HOH A . 
D 3 HOH 7  907 6  HOH HOH A . 
D 3 HOH 8  908 29 HOH HOH A . 
D 3 HOH 9  909 33 HOH HOH A . 
D 3 HOH 10 910 27 HOH HOH A . 
D 3 HOH 11 911 10 HOH HOH A . 
D 3 HOH 12 912 21 HOH HOH A . 
D 3 HOH 13 913 13 HOH HOH A . 
D 3 HOH 14 914 30 HOH HOH A . 
D 3 HOH 15 915 11 HOH HOH A . 
D 3 HOH 16 916 9  HOH HOH A . 
D 3 HOH 17 917 18 HOH HOH A . 
D 3 HOH 18 918 24 HOH HOH A . 
D 3 HOH 19 919 3  HOH HOH A . 
D 3 HOH 20 920 7  HOH HOH A . 
D 3 HOH 21 921 14 HOH HOH A . 
D 3 HOH 22 922 34 HOH HOH A . 
D 3 HOH 23 923 8  HOH HOH A . 
D 3 HOH 24 924 25 HOH HOH A . 
D 3 HOH 25 925 12 HOH HOH A . 
D 3 HOH 26 926 26 HOH HOH A . 
D 3 HOH 27 927 32 HOH HOH A . 
D 3 HOH 28 928 23 HOH HOH A . 
D 3 HOH 29 929 17 HOH HOH A . 
D 3 HOH 30 930 28 HOH HOH A . 
D 3 HOH 31 931 15 HOH HOH A . 
D 3 HOH 32 932 31 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
2  1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
3  1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
4  1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
5  1 Y 1 A LYS 663 ? CG  ? A LYS 86  CG  
6  1 Y 1 A LYS 663 ? CD  ? A LYS 86  CD  
7  1 Y 1 A LYS 663 ? CE  ? A LYS 86  CE  
8  1 Y 1 A LYS 663 ? NZ  ? A LYS 86  NZ  
9  1 Y 1 A GLN 665 ? CG  ? A GLN 88  CG  
10 1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
11 1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
12 1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
13 1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
14 1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
15 1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
16 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
17 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
18 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
19 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
# 
_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                     9HSX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.354 
_cell.length_a_esd                 ? 
_cell.length_b                     70.945 
_cell.length_b_esd                 ? 
_cell.length_c                     119.638 
_cell.length_c_esd                 ? 
_cell.volume                       427390.548 
_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                         9HSX 
_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                   9HSX 
_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             2.59 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          52.46 
_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 PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.965459 
_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-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          48.54 
_reflns.entry_id                                       9HSX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.23 
_reflns.d_resolution_low                               46.41 
_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                                     17730 
_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                           95.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.12 
_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                                0.098 
_reflns.pdbx_Rpim_I_all                                0.047 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.991 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.085 
_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                                    2.23 
_reflns_shell.d_res_low                                     2.30 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           2767 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             824 
_reflns_shell.percent_possible_obs                          86.1 
_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                               3.4 
_reflns_shell.pdbx_chi_squared                              1.25 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.5 
_reflns_shell.pdbx_Rrim_I_all                               1.190 
_reflns_shell.pdbx_Rpim_I_all                               0.620 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.529 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.006 
_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                               63.39 
_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                                 9HSX 
_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                            2.23 
_refine.ls_d_res_low                             46.41 
_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                     17730 
_refine.ls_number_reflns_R_free                  901 
_refine.ls_number_reflns_R_work                  16829 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    87.84 
_refine.ls_percent_reflns_R_free                 5.08 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2141 
_refine.ls_R_factor_R_free                       0.2735 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2112 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 34.3248 
_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                            0.3670 
_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                       2.23 
_refine_hist.d_res_low                        46.41 
_refine_hist.number_atoms_solvent             32 
_refine_hist.number_atoms_total               1094 
_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        1048 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         14 
_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' ? 0.0071  ? 1090 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8141  ? 1478 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0494  ? 170  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0063  ? 184  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.0519 ? 390  ? 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' 2.23 2.37  . . 131 2394 75.46 . . . . 0.3762 . . . . . . . . . . . 0.3537 
'X-RAY DIFFRACTION' 2.37 2.55  . . 153 2905 90.69 . . . . 0.2984 . . . . . . . . . . . 0.3199 
'X-RAY DIFFRACTION' 2.55 2.81  . . 132 2896 90.33 . . . . 0.2694 . . . . . . . . . . . 0.2998 
'X-RAY DIFFRACTION' 2.81 3.22  . . 164 2930 91.38 . . . . 0.2594 . . . . . . . . . . . 0.2972 
'X-RAY DIFFRACTION' 3.22 4.05  . . 171 2837 90.28 . . . . 0.1971 . . . . . . . . . . . 0.2557 
'X-RAY DIFFRACTION' 4.05 46.41 . . 150 2867 88.94 . . . . 0.1639 . . . . . . . . . . . 0.2553 
# 
_struct.entry_id                     9HSX 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-aminopyridine
;
_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        9HSX 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSX 
_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 9HSX GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSX HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSX MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSX ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSX ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSX ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSX ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSX ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSX ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSX ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSX ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSX ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSX ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSX ?   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)' 2030  ? 
1 MORE         -7    ? 
1 'SSA (A^2)'  13970 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -70.9450000000 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  ? PHE A 85  ? SER A 655 PHE A 662 1 ? 8  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? GLY A 153 ? TYR A 741 GLY A 748 1 ? 8  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.74 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSX 
_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_
_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 -2.61504345775 -22.2432491154 -24.1571779773 0.301690999448 ? 0.00402437649078 ? 0.0286749212512 ? 
0.331219176707 ? -0.0302399521918 ? 0.342378682945 ? 5.43225871208 ? -0.438395029889 ? 0.89678161637  ? 4.64897905971 ? 
-1.23767031833 ? 3.58828642245 ? -0.0322489447315 ? -0.319421523448 ? 0.380203874152  ? 0.275733320348 ? -0.04373547585   ? 
-0.00839993152168 ? -0.161190325478 ? -0.148586882456 ? 0.0694328793024 ? 
2 'X-RAY DIFFRACTION' ? refined -14.0330581408 -18.2095686915 -21.4396194121 0.915020862997 ? 0.0366408267499  ? 0.0318446360014 ? 
0.99067125637  ? 0.0384432836256  ? 0.628202262105 ? 5.54084169538 ? -4.77315430191  ? -3.27016263751 ? 4.78283253086 ? 
4.73467360578  ? 7.40984046387 ? -1.08227036304   ? -0.962755937042 ? 0.0281484924703 ? 2.18600271317  ? -0.0898909826781 ? 
0.811467950921    ? 1.18068196079   ? -1.24837975443  ? 0.629610279848  ? 
3 'X-RAY DIFFRACTION' ? refined -15.811339382  -10.5670185582 -25.5564357966 0.630883933997 ? 0.0706436087833  ? -0.202250254365 ? 
0.909134675685 ? -0.209792684523  ? 0.769117999982 ? 2.41489738764 ? 3.39586962163   ? 0.681382568957 ? 8.24664847171 ? 
2.09028888003  ? 8.91021485963 ? 0.22175118257    ? -2.14970107904  ? 1.31762525586   ? 1.58444460314  ? -0.0327198636717 ? 
-1.48659796536    ? -0.272400343163 ? 0.461019952803  ? -0.172854571809 ? 
4 'X-RAY DIFFRACTION' ? refined -9.95159310634 -32.703592042  -12.0181390995 0.678828542331 ? 0.0343590653029  ? 0.0191136227266 ? 
0.980726526629 ? -0.237318759043  ? 0.567231833736 ? 3.54934948963 ? -4.84456890564  ? 5.76180140986  ? 7.18147443515 ? 
-8.23423962997 ? 9.5596064353  ? -0.868123083559  ? -0.923556270895 ? 0.435483281242  ? 0.740114709624 ? 0.771799765855   ? 
-0.75069071       ? -0.424591891181 ? -1.46406717897  ? -0.280284541194 ? 
# 
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 91  A 706 ? ? 
;chain 'A' and (resid 616 through 706 )
;
2 'X-RAY DIFFRACTION' 2 A 92  A 707 ? A 97  A 739 ? ? 
;chain 'A' and (resid 707 through 739 )
;
3 'X-RAY DIFFRACTION' 3 A 98  A 740 ? A 105 A 747 ? ? 
;chain 'A' and (resid 740 through 747 )
;
4 'X-RAY DIFFRACTION' 4 A 106 A 748 ? A 130 A 772 ? ? 
;chain 'A' and (resid 748 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 
48 1 Y 1 A GLU 773 ? A GLU 178 
49 1 Y 1 A ASP 774 ? A ASP 179 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
HVK N1   N Y N 161 
HVK C2   C Y N 162 
HVK C3   C Y N 163 
HVK C4   C Y N 164 
HVK C5   C Y N 165 
HVK C6   C Y N 166 
HVK N    N N N 167 
HVK H3   H N N 168 
HVK H4   H N N 169 
HVK H5   H N N 170 
HVK H6   H N N 171 
HVK HN2  H N N 172 
HVK HN1A H N N 173 
ILE N    N N N 174 
ILE CA   C N S 175 
ILE C    C N N 176 
ILE O    O N N 177 
ILE CB   C N S 178 
ILE CG1  C N N 179 
ILE CG2  C N N 180 
ILE CD1  C N N 181 
ILE OXT  O N N 182 
ILE H    H N N 183 
ILE H2   H N N 184 
ILE HA   H N N 185 
ILE HB   H N N 186 
ILE HG12 H N N 187 
ILE HG13 H N N 188 
ILE HG21 H N N 189 
ILE HG22 H N N 190 
ILE HG23 H N N 191 
ILE HD11 H N N 192 
ILE HD12 H N N 193 
ILE HD13 H N N 194 
ILE HXT  H N N 195 
LEU N    N N N 196 
LEU CA   C N S 197 
LEU C    C N N 198 
LEU O    O N N 199 
LEU CB   C N N 200 
LEU CG   C N N 201 
LEU CD1  C N N 202 
LEU CD2  C N N 203 
LEU OXT  O N N 204 
LEU H    H N N 205 
LEU H2   H N N 206 
LEU HA   H N N 207 
LEU HB2  H N N 208 
LEU HB3  H N N 209 
LEU HG   H N N 210 
LEU HD11 H N N 211 
LEU HD12 H N N 212 
LEU HD13 H N N 213 
LEU HD21 H N N 214 
LEU HD22 H N N 215 
LEU HD23 H N N 216 
LEU HXT  H N N 217 
LYS N    N N N 218 
LYS CA   C N S 219 
LYS C    C N N 220 
LYS O    O N N 221 
LYS CB   C N N 222 
LYS CG   C N N 223 
LYS CD   C N N 224 
LYS CE   C N N 225 
LYS NZ   N N N 226 
LYS OXT  O N N 227 
LYS H    H N N 228 
LYS H2   H N N 229 
LYS HA   H N N 230 
LYS HB2  H N N 231 
LYS HB3  H N N 232 
LYS HG2  H N N 233 
LYS HG3  H N N 234 
LYS HD2  H N N 235 
LYS HD3  H N N 236 
LYS HE2  H N N 237 
LYS HE3  H N N 238 
LYS HZ1  H N N 239 
LYS HZ2  H N N 240 
LYS HZ3  H N N 241 
LYS HXT  H N N 242 
MET N    N N N 243 
MET CA   C N S 244 
MET C    C N N 245 
MET O    O N N 246 
MET CB   C N N 247 
MET CG   C N N 248 
MET SD   S N N 249 
MET CE   C N N 250 
MET OXT  O N N 251 
MET H    H N N 252 
MET H2   H N N 253 
MET HA   H N N 254 
MET HB2  H N N 255 
MET HB3  H N N 256 
MET HG2  H N N 257 
MET HG3  H N N 258 
MET HE1  H N N 259 
MET HE2  H N N 260 
MET HE3  H N N 261 
MET HXT  H N N 262 
PHE N    N N N 263 
PHE CA   C N S 264 
PHE C    C N N 265 
PHE O    O N N 266 
PHE CB   C N N 267 
PHE CG   C Y N 268 
PHE CD1  C Y N 269 
PHE CD2  C Y N 270 
PHE CE1  C Y N 271 
PHE CE2  C Y N 272 
PHE CZ   C Y N 273 
PHE OXT  O N N 274 
PHE H    H N N 275 
PHE H2   H N N 276 
PHE HA   H N N 277 
PHE HB2  H N N 278 
PHE HB3  H N N 279 
PHE HD1  H N N 280 
PHE HD2  H N N 281 
PHE HE1  H N N 282 
PHE HE2  H N N 283 
PHE HZ   H N N 284 
PHE HXT  H N N 285 
PRO N    N N N 286 
PRO CA   C N S 287 
PRO C    C N N 288 
PRO O    O N N 289 
PRO CB   C N N 290 
PRO CG   C N N 291 
PRO CD   C N N 292 
PRO OXT  O N N 293 
PRO H    H N N 294 
PRO HA   H N N 295 
PRO HB2  H N N 296 
PRO HB3  H N N 297 
PRO HG2  H N N 298 
PRO HG3  H N N 299 
PRO HD2  H N N 300 
PRO HD3  H N N 301 
PRO HXT  H N N 302 
SER N    N N N 303 
SER CA   C N S 304 
SER C    C N N 305 
SER O    O N N 306 
SER CB   C N N 307 
SER OG   O N N 308 
SER OXT  O N N 309 
SER H    H N N 310 
SER H2   H N N 311 
SER HA   H N N 312 
SER HB2  H N N 313 
SER HB3  H N N 314 
SER HG   H N N 315 
SER HXT  H N N 316 
THR N    N N N 317 
THR CA   C N S 318 
THR C    C N N 319 
THR O    O N N 320 
THR CB   C N R 321 
THR OG1  O N N 322 
THR CG2  C N N 323 
THR OXT  O N N 324 
THR H    H N N 325 
THR H2   H N N 326 
THR HA   H N N 327 
THR HB   H N N 328 
THR HG1  H N N 329 
THR HG21 H N N 330 
THR HG22 H N N 331 
THR HG23 H N N 332 
THR HXT  H N N 333 
TRP N    N N N 334 
TRP CA   C N S 335 
TRP C    C N N 336 
TRP O    O N N 337 
TRP CB   C N N 338 
TRP CG   C Y N 339 
TRP CD1  C Y N 340 
TRP CD2  C Y N 341 
TRP NE1  N Y N 342 
TRP CE2  C Y N 343 
TRP CE3  C Y N 344 
TRP CZ2  C Y N 345 
TRP CZ3  C Y N 346 
TRP CH2  C Y N 347 
TRP OXT  O N N 348 
TRP H    H N N 349 
TRP H2   H N N 350 
TRP HA   H N N 351 
TRP HB2  H N N 352 
TRP HB3  H N N 353 
TRP HD1  H N N 354 
TRP HE1  H N N 355 
TRP HE3  H N N 356 
TRP HZ2  H N N 357 
TRP HZ3  H N N 358 
TRP HH2  H N N 359 
TRP HXT  H N N 360 
TYR N    N N N 361 
TYR CA   C N S 362 
TYR C    C N N 363 
TYR O    O N N 364 
TYR CB   C N N 365 
TYR CG   C Y N 366 
TYR CD1  C Y N 367 
TYR CD2  C Y N 368 
TYR CE1  C Y N 369 
TYR CE2  C Y N 370 
TYR CZ   C Y N 371 
TYR OH   O N N 372 
TYR OXT  O N N 373 
TYR H    H N N 374 
TYR H2   H N N 375 
TYR HA   H N N 376 
TYR HB2  H N N 377 
TYR HB3  H N N 378 
TYR HD1  H N N 379 
TYR HD2  H N N 380 
TYR HE1  H N N 381 
TYR HE2  H N N 382 
TYR HH   H N N 383 
TYR HXT  H N N 384 
VAL N    N N N 385 
VAL CA   C N S 386 
VAL C    C N N 387 
VAL O    O N N 388 
VAL CB   C N N 389 
VAL CG1  C N N 390 
VAL CG2  C N N 391 
VAL OXT  O N N 392 
VAL H    H N N 393 
VAL H2   H N N 394 
VAL HA   H N N 395 
VAL HB   H N N 396 
VAL HG11 H N N 397 
VAL HG12 H N N 398 
VAL HG13 H N N 399 
VAL HG21 H N N 400 
VAL HG22 H N N 401 
VAL HG23 H N N 402 
VAL HXT  H N N 403 
# 
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 
HVK N1  C6   doub Y N 152 
HVK N1  C2   sing Y N 153 
HVK C6  C5   sing Y N 154 
HVK N   C2   sing N N 155 
HVK C2  C3   doub Y N 156 
HVK C5  C4   doub Y N 157 
HVK C4  C3   sing Y N 158 
HVK C3  H3   sing N N 159 
HVK C4  H4   sing N N 160 
HVK C5  H5   sing N N 161 
HVK C6  H6   sing N N 162 
HVK N   HN2  sing N N 163 
HVK N   HN1A sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
_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                    9HSX 
_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]   0.019859 
_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]   0.014095 
_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]   0.008359 
_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  ? -9.33799  -22.28903 -44.83324 1.000 82.52679  ? 616 LYS A N    1 
ATOM   2    C CA   . LYS A 1 39  ? -10.06414 -23.33030 -44.12862 1.000 73.27778  ? 616 LYS A CA   1 
ATOM   3    C C    . LYS A 1 39  ? -9.45408  -23.57519 -42.75465 1.000 69.43595  ? 616 LYS A C    1 
ATOM   4    O O    . LYS A 1 39  ? -10.12681 -24.11153 -41.87806 1.000 70.16074  ? 616 LYS A O    1 
ATOM   5    C CB   . LYS A 1 39  ? -10.08783 -24.63090 -44.94363 1.000 76.32516  ? 616 LYS A CB   1 
ATOM   6    C CG   . LYS A 1 39  ? -11.05768 -25.66953 -44.38865 1.000 84.18476  ? 616 LYS A CG   1 
ATOM   7    C CD   . LYS A 1 39  ? -10.88846 -27.04339 -45.02285 1.000 81.30593  ? 616 LYS A CD   1 
ATOM   8    C CE   . LYS A 1 39  ? -11.52505 -27.11903 -46.38290 1.000 80.35215  ? 616 LYS A CE   1 
ATOM   9    N NZ   . LYS A 1 39  ? -11.23216 -28.43310 -47.03787 1.000 97.12791  ? 616 LYS A NZ   1 
ATOM   10   N N    . ASN A 1 40  ? -8.19830  -23.17378 -42.54267 1.000 62.03816  ? 617 ASN A N    1 
ATOM   11   C CA   . ASN A 1 40  ? -7.54233  -23.41587 -41.26329 1.000 58.73182  ? 617 ASN A CA   1 
ATOM   12   C C    . ASN A 1 40  ? -7.85728  -22.29946 -40.28036 1.000 57.42975  ? 617 ASN A C    1 
ATOM   13   O O    . ASN A 1 40  ? -7.58860  -21.12653 -40.55845 1.000 60.09096  ? 617 ASN A O    1 
ATOM   14   C CB   . ASN A 1 40  ? -6.03279  -23.54257 -41.41329 1.000 58.95191  ? 617 ASN A CB   1 
ATOM   15   C CG   . ASN A 1 40  ? -5.37344  -23.91063 -40.11325 1.000 50.29595  ? 617 ASN A CG   1 
ATOM   16   O OD1  . ASN A 1 40  ? -5.41425  -25.06190 -39.69359 1.000 64.72103  ? 617 ASN A OD1  1 
ATOM   17   N ND2  . ASN A 1 40  ? -4.77581  -22.93488 -39.45455 1.000 51.96592  ? 617 ASN A ND2  1 
ATOM   18   N N    . VAL A 1 41  ? -8.39335  -22.67229 -39.11680 1.000 52.17112  ? 618 VAL A N    1 
ATOM   19   C CA   . VAL A 1 41  ? -8.88612  -21.72062 -38.12754 1.000 49.83955  ? 618 VAL A CA   1 
ATOM   20   C C    . VAL A 1 41  ? -7.92073  -21.69286 -36.94968 1.000 44.49413  ? 618 VAL A C    1 
ATOM   21   O O    . VAL A 1 41  ? -7.57497  -22.73999 -36.38300 1.000 42.50347  ? 618 VAL A O    1 
ATOM   22   C CB   . VAL A 1 41  ? -10.31732 -22.07106 -37.67425 1.000 52.52173  ? 618 VAL A CB   1 
ATOM   23   C CG1  . VAL A 1 41  ? -10.90908 -20.94767 -36.86266 1.000 44.48069  ? 618 VAL A CG1  1 
ATOM   24   C CG2  . VAL A 1 41  ? -11.19404 -22.34376 -38.88114 1.000 45.94760  ? 618 VAL A CG2  1 
ATOM   25   N N    . VAL A 1 42  ? -7.48590  -20.49974 -36.58189 1.000 43.33655  ? 619 VAL A N    1 
ATOM   26   C CA   . VAL A 1 42  ? -6.52152  -20.33891 -35.50212 1.000 47.63939  ? 619 VAL A CA   1 
ATOM   27   C C    . VAL A 1 42  ? -7.28726  -20.10306 -34.21201 1.000 50.14340  ? 619 VAL A C    1 
ATOM   28   O O    . VAL A 1 42  ? -8.06095  -19.13795 -34.11092 1.000 42.78693  ? 619 VAL A O    1 
ATOM   29   C CB   . VAL A 1 42  ? -5.55933  -19.18284 -35.78213 1.000 40.73717  ? 619 VAL A CB   1 
ATOM   30   C CG1  . VAL A 1 42  ? -4.66784  -18.98459 -34.58902 1.000 40.46190  ? 619 VAL A CG1  1 
ATOM   31   C CG2  . VAL A 1 42  ? -4.78976  -19.46472 -37.04813 1.000 43.54855  ? 619 VAL A CG2  1 
ATOM   32   N N    . ILE A 1 43  ? -7.04426  -20.97421 -33.22999 1.000 41.19950  ? 620 ILE A N    1 
ATOM   33   C CA   . ILE A 1 43  ? -7.70176  -20.97966 -31.93402 1.000 41.94318  ? 620 ILE A CA   1 
ATOM   34   C C    . ILE A 1 43  ? -6.64178  -20.70311 -30.88370 1.000 44.18454  ? 620 ILE A C    1 
ATOM   35   O O    . ILE A 1 43  ? -5.54935  -21.28322 -30.93608 1.000 42.98965  ? 620 ILE A O    1 
ATOM   36   C CB   . ILE A 1 43  ? -8.37465  -22.34151 -31.65055 1.000 44.26199  ? 620 ILE A CB   1 
ATOM   37   C CG1  . ILE A 1 43  ? -9.33779  -22.76840 -32.77047 1.000 38.56702  ? 620 ILE A CG1  1 
ATOM   38   C CG2  . ILE A 1 43  ? -9.03432  -22.32888 -30.31158 1.000 38.99461  ? 620 ILE A CG2  1 
ATOM   39   C CD1  . ILE A 1 43  ? -10.62891 -22.00957 -32.80546 1.000 41.32914  ? 620 ILE A CD1  1 
ATOM   40   N N    . TYR A 1 44  ? -6.96432  -19.83602 -29.92403 1.000 42.48214  ? 621 TYR A N    1 
ATOM   41   C CA   . TYR A 1 44  ? -6.06133  -19.49210 -28.82555 1.000 42.16266  ? 621 TYR A CA   1 
ATOM   42   C C    . TYR A 1 44  ? -6.69752  -19.89147 -27.50291 1.000 46.36914  ? 621 TYR A C    1 
ATOM   43   O O    . TYR A 1 44  ? -7.83121  -19.49623 -27.21074 1.000 40.77761  ? 621 TYR A O    1 
ATOM   44   C CB   . TYR A 1 44  ? -5.75139  -17.99471 -28.80252 1.000 36.21538  ? 621 TYR A CB   1 
ATOM   45   C CG   . TYR A 1 44  ? -4.85272  -17.56004 -27.66754 1.000 43.97656  ? 621 TYR A CG   1 
ATOM   46   C CD1  . TYR A 1 44  ? -3.49043  -17.88481 -27.66583 1.000 41.84856  ? 621 TYR A CD1  1 
ATOM   47   C CD2  . TYR A 1 44  ? -5.33445  -16.78863 -26.62616 1.000 40.33852  ? 621 TYR A CD2  1 
ATOM   48   C CE1  . TYR A 1 44  ? -2.64850  -17.48669 -26.63276 1.000 32.72331  ? 621 TYR A CE1  1 
ATOM   49   C CE2  . TYR A 1 44  ? -4.49707  -16.37245 -25.58702 1.000 43.66791  ? 621 TYR A CE2  1 
ATOM   50   C CZ   . TYR A 1 44  ? -3.14326  -16.72914 -25.60481 1.000 47.65103  ? 621 TYR A CZ   1 
ATOM   51   O OH   . TYR A 1 44  ? -2.29384  -16.33675 -24.59120 1.000 43.86105  ? 621 TYR A OH   1 
ATOM   52   N N    . ALA A 1 45  ? -5.96870  -20.66357 -26.70735 1.000 42.17015  ? 622 ALA A N    1 
ATOM   53   C CA   . ALA A 1 45  ? -6.40558  -21.07847 -25.37994 1.000 40.23573  ? 622 ALA A CA   1 
ATOM   54   C C    . ALA A 1 45  ? -5.28735  -20.75787 -24.40472 1.000 46.75706  ? 622 ALA A C    1 
ATOM   55   O O    . ALA A 1 45  ? -4.20332  -21.33961 -24.49211 1.000 50.25830  ? 622 ALA A O    1 
ATOM   56   C CB   . ALA A 1 45  ? -6.72274  -22.57147 -25.34863 1.000 50.45088  ? 622 ALA A CB   1 
ATOM   57   N N    . ASP A 1 46  ? -5.51767  -19.82432 -23.50471 1.000 46.93522  ? 623 ASP A N    1 
ATOM   58   C CA   . ASP A 1 46  ? -4.52490  -19.55809 -22.48191 1.000 51.23553  ? 623 ASP A CA   1 
ATOM   59   C C    . ASP A 1 46  ? -4.97868  -20.14717 -21.15797 1.000 49.78507  ? 623 ASP A C    1 
ATOM   60   O O    . ASP A 1 46  ? -6.12388  -20.58181 -20.98840 1.000 58.17956  ? 623 ASP A O    1 
ATOM   61   C CB   . ASP A 1 46  ? -4.23592  -18.05764 -22.35294 1.000 53.63816  ? 623 ASP A CB   1 
ATOM   62   C CG   . ASP A 1 46  ? -5.43433  -17.25195 -21.90897 1.000 59.85113  ? 623 ASP A CG   1 
ATOM   63   O OD1  . ASP A 1 46  ? -6.35528  -17.79841 -21.24924 1.000 72.28285  ? 623 ASP A OD1  1 
ATOM   64   O OD2  . ASP A 1 46  ? -5.44721  -16.03825 -22.21491 1.000 57.38575  ? 623 ASP A OD2  1 
ATOM   65   N N    . GLY A 1 47  ? -4.05066  -20.16694 -20.21955 1.000 47.69086  ? 624 GLY A N    1 
ATOM   66   C CA   . GLY A 1 47  ? -4.31131  -20.70389 -18.90449 1.000 42.96386  ? 624 GLY A CA   1 
ATOM   67   C C    . GLY A 1 47  ? -3.01214  -20.80551 -18.14037 1.000 57.03015  ? 624 GLY A C    1 
ATOM   68   O O    . GLY A 1 47  ? -1.92742  -20.52204 -18.65848 1.000 49.96194  ? 624 GLY A O    1 
ATOM   69   N N    . VAL A 1 48  ? -3.14483  -21.18752 -16.87338 1.000 52.22501  ? 625 VAL A N    1 
ATOM   70   C CA   . VAL A 1 48  ? -1.97109  -21.42293 -16.05152 1.000 45.80026  ? 625 VAL A CA   1 
ATOM   71   C C    . VAL A 1 48  ? -1.35477  -22.77545 -16.37490 1.000 54.05395  ? 625 VAL A C    1 
ATOM   72   O O    . VAL A 1 48  ? -0.13292  -22.89609 -16.51917 1.000 57.74487  ? 625 VAL A O    1 
ATOM   73   C CB   . VAL A 1 48  ? -2.35280  -21.30428 -14.56883 1.000 54.57432  ? 625 VAL A CB   1 
ATOM   74   C CG1  . VAL A 1 48  ? -1.11124  -21.49208 -13.67966 1.000 54.15150  ? 625 VAL A CG1  1 
ATOM   75   C CG2  . VAL A 1 48  ? -3.03308  -19.95927 -14.31525 1.000 49.31682  ? 625 VAL A CG2  1 
ATOM   76   N N    . TYR A 1 49  ? -2.18393  -23.81194 -16.51372 1.000 48.34125  ? 626 TYR A N    1 
ATOM   77   C CA   . TYR A 1 49  ? -1.70279  -25.16589 -16.79328 1.000 44.48432  ? 626 TYR A CA   1 
ATOM   78   C C    . TYR A 1 49  ? -0.72854  -25.64462 -15.72502 1.000 52.75312  ? 626 TYR A C    1 
ATOM   79   O O    . TYR A 1 49  ? 0.27843   -26.29293 -16.02149 1.000 52.57708  ? 626 TYR A O    1 
ATOM   80   C CB   . TYR A 1 49  ? -1.07637  -25.24931 -18.18182 1.000 48.84509  ? 626 TYR A CB   1 
ATOM   81   C CG   . TYR A 1 49  ? -2.05401  -24.84724 -19.25616 1.000 49.18846  ? 626 TYR A CG   1 
ATOM   82   C CD1  . TYR A 1 49  ? -3.19928  -25.60175 -19.49614 1.000 43.78416  ? 626 TYR A CD1  1 
ATOM   83   C CD2  . TYR A 1 49  ? -1.86346  -23.69141 -19.99295 1.000 41.50098  ? 626 TYR A CD2  1 
ATOM   84   C CE1  . TYR A 1 49  ? -4.10031  -25.22907 -20.46866 1.000 46.72262  ? 626 TYR A CE1  1 
ATOM   85   C CE2  . TYR A 1 49  ? -2.76622  -23.30925 -20.96916 1.000 51.54097  ? 626 TYR A CE2  1 
ATOM   86   C CZ   . TYR A 1 49  ? -3.88231  -24.08068 -21.19824 1.000 50.96547  ? 626 TYR A CZ   1 
ATOM   87   O OH   . TYR A 1 49  ? -4.78397  -23.70955 -22.15816 1.000 50.86744  ? 626 TYR A OH   1 
ATOM   88   N N    . ASP A 1 50  ? -1.02480  -25.30740 -14.47079 1.000 49.92928  ? 627 ASP A N    1 
ATOM   89   C CA   . ASP A 1 50  ? -0.24551  -25.81799 -13.35024 1.000 51.30038  ? 627 ASP A CA   1 
ATOM   90   C C    . ASP A 1 50  ? -0.59716  -27.28155 -13.09950 1.000 58.18587  ? 627 ASP A C    1 
ATOM   91   O O    . ASP A 1 50  ? -1.77659  -27.64722 -13.03696 1.000 56.01235  ? 627 ASP A O    1 
ATOM   92   C CB   . ASP A 1 50  ? -0.50918  -24.98290 -12.09223 1.000 51.77813  ? 627 ASP A CB   1 
ATOM   93   C CG   . ASP A 1 50  ? 0.58039   -25.14276 -11.04205 1.000 61.55737  ? 627 ASP A CG   1 
ATOM   94   O OD1  . ASP A 1 50  ? 1.62814   -25.74541 -11.36085 1.000 65.58500  ? 627 ASP A OD1  1 
ATOM   95   O OD2  . ASP A 1 50  ? 0.39908   -24.67043 -9.89529  1.000 68.36829  ? 627 ASP A OD2  1 
ATOM   96   N N    . MET A 1 51  ? 0.42242   -28.12449 -12.97501 1.000 53.99779  ? 628 MET A N    1 
ATOM   97   C CA   . MET A 1 51  ? 0.22705   -29.54496 -12.69678 1.000 54.87064  ? 628 MET A CA   1 
ATOM   98   C C    . MET A 1 51  ? -0.82745  -30.14343 -13.62846 1.000 52.35108  ? 628 MET A C    1 
ATOM   99   O O    . MET A 1 51  ? -1.83426  -30.70579 -13.20401 1.000 53.29469  ? 628 MET A O    1 
ATOM   100  C CB   . MET A 1 51  ? -0.15065  -29.74916 -11.23525 1.000 52.69968  ? 628 MET A CB   1 
ATOM   101  C CG   . MET A 1 51  ? 0.80974   -29.07653 -10.27710 1.000 68.70556  ? 628 MET A CG   1 
ATOM   102  S SD   . MET A 1 51  ? 0.54399   -29.54811 -8.56010  1.000 86.59704  ? 628 MET A SD   1 
ATOM   103  C CE   . MET A 1 51  ? 1.01344   -31.27794 -8.60238  1.000 85.49512  ? 628 MET A CE   1 
ATOM   104  N N    . LEU A 1 52  ? -0.56322  -30.00845 -14.91993 1.000 50.76914  ? 629 LEU A N    1 
ATOM   105  C CA   . LEU A 1 52  ? -1.49248  -30.41566 -15.96037 1.000 44.20639  ? 629 LEU A CA   1 
ATOM   106  C C    . LEU A 1 52  ? -2.09673  -31.77599 -15.66691 1.000 51.71651  ? 629 LEU A C    1 
ATOM   107  O O    . LEU A 1 52  ? -1.38138  -32.71704 -15.32560 1.000 49.71713  ? 629 LEU A O    1 
ATOM   108  C CB   . LEU A 1 52  ? -0.76627  -30.46835 -17.29638 1.000 52.36650  ? 629 LEU A CB   1 
ATOM   109  C CG   . LEU A 1 52  ? -1.74194  -30.40546 -18.46027 1.000 51.79853  ? 629 LEU A CG   1 
ATOM   110  C CD1  . LEU A 1 52  ? -2.01980  -28.95901 -18.77739 1.000 51.61037  ? 629 LEU A CD1  1 
ATOM   111  C CD2  . LEU A 1 52  ? -1.18846  -31.14217 -19.64041 1.000 49.53036  ? 629 LEU A CD2  1 
ATOM   112  N N    . HIS A 1 53  ? -3.42466  -31.87783 -15.81318 1.000 47.28122  ? 630 HIS A N    1 
ATOM   113  C CA   . HIS A 1 53  ? -4.09583  -33.15823 -15.63226 1.000 49.00190  ? 630 HIS A CA   1 
ATOM   114  C C    . HIS A 1 53  ? -5.11752  -33.44522 -16.73098 1.000 42.35279  ? 630 HIS A C    1 
ATOM   115  O O    . HIS A 1 53  ? -5.21905  -32.71816 -17.72412 1.000 49.06144  ? 630 HIS A O    1 
ATOM   116  C CB   . HIS A 1 53  ? -4.76219  -33.23020 -14.25481 1.000 57.47818  ? 630 HIS A CB   1 
ATOM   117  C CG   . HIS A 1 53  ? -5.68144  -32.08675 -13.95970 1.000 61.32767  ? 630 HIS A CG   1 
ATOM   118  N ND1  . HIS A 1 53  ? -6.85164  -31.87069 -14.65170 1.000 62.12386  ? 630 HIS A ND1  1 
ATOM   119  C CD2  . HIS A 1 53  ? -5.60681  -31.10121 -13.03406 1.000 73.93030  ? 630 HIS A CD2  1 
ATOM   120  C CE1  . HIS A 1 53  ? -7.45332  -30.79503 -14.17461 1.000 67.04329  ? 630 HIS A CE1  1 
ATOM   121  N NE2  . HIS A 1 53  ? -6.72022  -30.31090 -13.18952 1.000 67.53919  ? 630 HIS A NE2  1 
ATOM   122  N N    . LEU A 1 54  ? -5.88301  -34.51826 -16.54671 1.000 51.23041  ? 631 LEU A N    1 
ATOM   123  C CA   . LEU A 1 54  ? -6.81987  -34.95885 -17.57273 1.000 46.46955  ? 631 LEU A CA   1 
ATOM   124  C C    . LEU A 1 54  ? -7.82597  -33.87995 -17.92277 1.000 50.09344  ? 631 LEU A C    1 
ATOM   125  O O    . LEU A 1 54  ? -8.26971  -33.79497 -19.07545 1.000 49.77481  ? 631 LEU A O    1 
ATOM   126  C CB   . LEU A 1 54  ? -7.54932  -36.20443 -17.09794 1.000 48.14079  ? 631 LEU A CB   1 
ATOM   127  C CG   . LEU A 1 54  ? -8.49974  -36.79138 -18.11578 1.000 44.23901  ? 631 LEU A CG   1 
ATOM   128  C CD1  . LEU A 1 54  ? -7.78176  -37.01686 -19.39792 1.000 45.23816  ? 631 LEU A CD1  1 
ATOM   129  C CD2  . LEU A 1 54  ? -9.01908  -38.09575 -17.57991 1.000 53.46443  ? 631 LEU A CD2  1 
ATOM   130  N N    . GLY A 1 55  ? -8.21616  -33.07237 -16.93766 1.000 47.46513  ? 632 GLY A N    1 
ATOM   131  C CA   . GLY A 1 55  ? -9.08942  -31.94321 -17.21021 1.000 54.68261  ? 632 GLY A CA   1 
ATOM   132  C C    . GLY A 1 55  ? -8.51204  -30.98649 -18.23776 1.000 51.56666  ? 632 GLY A C    1 
ATOM   133  O O    . GLY A 1 55  ? -9.16190  -30.65711 -19.22910 1.000 62.64768  ? 632 GLY A O    1 
ATOM   134  N N    . HIS A 1 56  ? -7.28100  -30.52451 -18.02214 1.000 52.73993  ? 633 HIS A N    1 
ATOM   135  C CA   . HIS A 1 56  ? -6.69190  -29.63291 -19.01339 1.000 43.20488  ? 633 HIS A CA   1 
ATOM   136  C C    . HIS A 1 56  ? -6.66916  -30.29252 -20.37621 1.000 52.57265  ? 633 HIS A C    1 
ATOM   137  O O    . HIS A 1 56  ? -6.95624  -29.64889 -21.39163 1.000 53.14137  ? 633 HIS A O    1 
ATOM   138  C CB   . HIS A 1 56  ? -5.28281  -29.21741 -18.60895 1.000 42.66975  ? 633 HIS A CB   1 
ATOM   139  C CG   . HIS A 1 56  ? -5.18730  -28.60708 -17.24387 1.000 44.18604  ? 633 HIS A CG   1 
ATOM   140  N ND1  . HIS A 1 56  ? -4.78521  -29.32181 -16.13860 1.000 46.64981  ? 633 HIS A ND1  1 
ATOM   141  C CD2  . HIS A 1 56  ? -5.40755  -27.34368 -16.81190 1.000 53.03520  ? 633 HIS A CD2  1 
ATOM   142  C CE1  . HIS A 1 56  ? -4.77096  -28.52870 -15.08247 1.000 49.25617  ? 633 HIS A CE1  1 
ATOM   143  N NE2  . HIS A 1 56  ? -5.13982  -27.32151 -15.46535 1.000 50.24840  ? 633 HIS A NE2  1 
ATOM   144  N N    . MET A 1 57  ? -6.36160  -31.58792 -20.42127 1.000 48.92511  ? 634 MET A N    1 
ATOM   145  C CA   . MET A 1 57  ? -6.22273  -32.24763 -21.71581 1.000 52.45234  ? 634 MET A CA   1 
ATOM   146  C C    . MET A 1 57  ? -7.55710  -32.28763 -22.45700 1.000 51.06160  ? 634 MET A C    1 
ATOM   147  O O    . MET A 1 57  ? -7.64042  -31.90554 -23.63192 1.000 45.92914  ? 634 MET A O    1 
ATOM   148  C CB   . MET A 1 57  ? -5.63966  -33.64944 -21.51349 1.000 49.17980  ? 634 MET A CB   1 
ATOM   149  C CG   . MET A 1 57  ? -4.27445  -33.62048 -20.82066 1.000 48.22735  ? 634 MET A CG   1 
ATOM   150  S SD   . MET A 1 57  ? -3.66526  -35.25618 -20.30937 1.000 53.87159  ? 634 MET A SD   1 
ATOM   151  C CE   . MET A 1 57  ? -2.26049  -34.81119 -19.29285 1.000 39.65556  ? 634 MET A CE   1 
ATOM   152  N N    . LYS A 1 58  ? -8.62071  -32.71897 -21.77622 1.000 48.65214  ? 635 LYS A N    1 
ATOM   153  C CA   . LYS A 1 58  ? -9.93896  -32.72745 -22.40009 1.000 45.58185  ? 635 LYS A CA   1 
ATOM   154  C C    . LYS A 1 58  ? -10.33080 -31.34077 -22.87014 1.000 46.92969  ? 635 LYS A C    1 
ATOM   155  O O    . LYS A 1 58  ? -10.85062 -31.18306 -23.97952 1.000 50.91162  ? 635 LYS A O    1 
ATOM   156  C CB   . LYS A 1 58  ? -10.97549 -33.28930 -21.42818 1.000 43.40056  ? 635 LYS A CB   1 
ATOM   157  C CG   . LYS A 1 58  ? -10.87607 -34.78356 -21.28950 1.000 47.81732  ? 635 LYS A CG   1 
ATOM   158  C CD   . LYS A 1 58  ? -11.56795 -35.29548 -20.07891 1.000 47.48972  ? 635 LYS A CD   1 
ATOM   159  C CE   . LYS A 1 58  ? -12.54908 -36.37833 -20.49203 1.000 58.62593  ? 635 LYS A CE   1 
ATOM   160  N NZ   . LYS A 1 58  ? -12.88121 -37.28846 -19.35932 1.000 68.47495  ? 635 LYS A NZ   1 
ATOM   161  N N    . GLN A 1 59  ? -10.07194 -30.31999 -22.05678 1.000 44.88503  ? 636 GLN A N    1 
ATOM   162  C CA   . GLN A 1 59  ? -10.33101 -28.95524 -22.50292 1.000 54.80649  ? 636 GLN A CA   1 
ATOM   163  C C    . GLN A 1 59  ? -9.59500  -28.65595 -23.79877 1.000 52.43758  ? 636 GLN A C    1 
ATOM   164  O O    . GLN A 1 59  ? -10.17239 -28.10061 -24.74471 1.000 50.75696  ? 636 GLN A O    1 
ATOM   165  C CB   . GLN A 1 59  ? -9.91655  -27.96169 -21.42545 1.000 49.64743  ? 636 GLN A CB   1 
ATOM   166  C CG   . GLN A 1 59  ? -10.69048 -26.66496 -21.46838 1.000 59.24715  ? 636 GLN A CG   1 
ATOM   167  C CD   . GLN A 1 59  ? -10.91259 -26.08265 -20.08607 1.000 66.07820  ? 636 GLN A CD   1 
ATOM   168  O OE1  . GLN A 1 59  ? -10.05842 -26.19001 -19.21091 1.000 63.60173  ? 636 GLN A OE1  1 
ATOM   169  N NE2  . GLN A 1 59  ? -12.07527 -25.48078 -19.87814 1.000 71.65049  ? 636 GLN A NE2  1 
ATOM   170  N N    . LEU A 1 60  ? -8.30681  -29.00787 -23.85197 1.000 42.50986  ? 637 LEU A N    1 
ATOM   171  C CA   . LEU A 1 60  ? -7.48720  -28.67564 -25.00752 1.000 43.23869  ? 637 LEU A CA   1 
ATOM   172  C C    . LEU A 1 60  ? -7.94898  -29.44101 -26.23879 1.000 48.32957  ? 637 LEU A C    1 
ATOM   173  O O    . LEU A 1 60  ? -7.97237  -28.88995 -27.34770 1.000 44.68426  ? 637 LEU A O    1 
ATOM   174  C CB   . LEU A 1 60  ? -6.01924  -28.97698 -24.70447 1.000 45.89126  ? 637 LEU A CB   1 
ATOM   175  C CG   . LEU A 1 60  ? -5.34722  -28.13518 -23.61654 1.000 46.26135  ? 637 LEU A CG   1 
ATOM   176  C CD1  . LEU A 1 60  ? -4.00629  -28.73067 -23.19356 1.000 47.32427  ? 637 LEU A CD1  1 
ATOM   177  C CD2  . LEU A 1 60  ? -5.11775  -26.74527 -24.14680 1.000 48.13709  ? 637 LEU A CD2  1 
ATOM   178  N N    . GLU A 1 61  ? -8.30478  -30.71711 -26.06078 1.000 41.90880  ? 638 GLU A N    1 
ATOM   179  C CA   . GLU A 1 61  ? -8.90481  -31.49178 -27.13964 1.000 45.24111  ? 638 GLU A CA   1 
ATOM   180  C C    . GLU A 1 61  ? -10.14065 -30.79666 -27.68390 1.000 45.93499  ? 638 GLU A C    1 
ATOM   181  O O    . GLU A 1 61  ? -10.31682 -30.67442 -28.90093 1.000 53.43552  ? 638 GLU A O    1 
ATOM   182  C CB   . GLU A 1 61  ? -9.26849  -32.88612 -26.63954 1.000 43.45473  ? 638 GLU A CB   1 
ATOM   183  C CG   . GLU A 1 61  ? -9.93340  -33.70661 -27.68226 1.000 42.58884  ? 638 GLU A CG   1 
ATOM   184  C CD   . GLU A 1 61  ? -10.39514 -35.04000 -27.16725 1.000 46.30673  ? 638 GLU A CD   1 
ATOM   185  O OE1  . GLU A 1 61  ? -10.57005 -35.17158 -25.93672 1.000 48.53192  ? 638 GLU A OE1  1 
ATOM   186  O OE2  . GLU A 1 61  ? -10.60272 -35.95309 -27.99906 1.000 50.72283  ? 638 GLU A OE2  1 
ATOM   187  N N    . GLN A 1 62  ? -11.00780 -30.32915 -26.78909 1.000 46.62647  ? 639 GLN A N    1 
ATOM   188  C CA   . GLN A 1 62  ? -12.19587 -29.59291 -27.21270 1.000 47.37236  ? 639 GLN A CA   1 
ATOM   189  C C    . GLN A 1 62  ? -11.82200 -28.37296 -28.04733 1.000 46.90365  ? 639 GLN A C    1 
ATOM   190  O O    . GLN A 1 62  ? -12.37125 -28.15263 -29.13239 1.000 50.76276  ? 639 GLN A O    1 
ATOM   191  C CB   . GLN A 1 62  ? -12.98605 -29.17127 -25.98162 1.000 54.14704  ? 639 GLN A CB   1 
ATOM   192  C CG   . GLN A 1 62  ? -14.46877 -29.36581 -26.06505 1.000 59.35866  ? 639 GLN A CG   1 
ATOM   193  C CD   . GLN A 1 62  ? -15.15419 -29.00183 -24.76026 1.000 72.85873  ? 639 GLN A CD   1 
ATOM   194  O OE1  . GLN A 1 62  ? -15.82655 -27.97493 -24.66528 1.000 78.51452  ? 639 GLN A OE1  1 
ATOM   195  N NE2  . GLN A 1 62  ? -14.97742 -29.84092 -23.74369 1.000 69.54958  ? 639 GLN A NE2  1 
ATOM   196  N N    . ALA A 1 63  ? -10.89771 -27.55297 -27.55164 1.000 44.16890  ? 640 ALA A N    1 
ATOM   197  C CA   . ALA A 1 63  ? -10.42489 -26.43323 -28.35902 1.000 38.66789  ? 640 ALA A CA   1 
ATOM   198  C C    . ALA A 1 63  ? -9.96259  -26.91320 -29.72555 1.000 42.20970  ? 640 ALA A C    1 
ATOM   199  O O    . ALA A 1 63  ? -10.33860 -26.35541 -30.75963 1.000 46.39401  ? 640 ALA A O    1 
ATOM   200  C CB   . ALA A 1 63  ? -9.29293  -25.69731 -27.63500 1.000 43.57079  ? 640 ALA A CB   1 
ATOM   201  N N    . LYS A 1 64  ? -9.16007  -27.97252 -29.75640 1.000 49.62048  ? 641 LYS A N    1 
ATOM   202  C CA   . LYS A 1 64  ? -8.57443  -28.36368 -31.02534 1.000 45.40313  ? 641 LYS A CA   1 
ATOM   203  C C    . LYS A 1 64  ? -9.66408  -28.76295 -32.02079 1.000 44.95307  ? 641 LYS A C    1 
ATOM   204  O O    . LYS A 1 64  ? -9.53495  -28.50431 -33.22155 1.000 44.36910  ? 641 LYS A O    1 
ATOM   205  C CB   . LYS A 1 64  ? -7.53959  -29.47471 -30.77956 1.000 41.71807  ? 641 LYS A CB   1 
ATOM   206  C CG   . LYS A 1 64  ? -6.80810  -30.01778 -32.00298 1.000 37.08610  ? 641 LYS A CG   1 
ATOM   207  C CD   . LYS A 1 64  ? -6.00968  -28.96014 -32.75954 1.000 43.02636  ? 641 LYS A CD   1 
ATOM   208  C CE   . LYS A 1 64  ? -5.56311  -29.54937 -34.09277 1.000 48.14341  ? 641 LYS A CE   1 
ATOM   209  N NZ   . LYS A 1 64  ? -4.88720  -28.58591 -35.00212 1.000 52.13333  ? 641 LYS A NZ   1 
ATOM   210  N N    . LYS A 1 65  ? -10.76523 -29.33844 -31.54606 1.000 49.29814  ? 642 LYS A N    1 
ATOM   211  C CA   . LYS A 1 65  ? -11.78516 -29.87270 -32.44341 1.000 46.88537  ? 642 LYS A CA   1 
ATOM   212  C C    . LYS A 1 65  ? -12.98015 -28.93097 -32.63674 1.000 45.07366  ? 642 LYS A C    1 
ATOM   213  O O    . LYS A 1 65  ? -14.03283 -29.36096 -33.12075 1.000 42.45848  ? 642 LYS A O    1 
ATOM   214  C CB   . LYS A 1 65  ? -12.25095 -31.23695 -31.93883 1.000 52.35201  ? 642 LYS A CB   1 
ATOM   215  C CG   . LYS A 1 65  ? -11.12807 -32.27076 -31.91181 1.000 49.09788  ? 642 LYS A CG   1 
ATOM   216  C CD   . LYS A 1 65  ? -11.54949 -33.51282 -31.15596 1.000 49.48712  ? 642 LYS A CD   1 
ATOM   217  C CE   . LYS A 1 65  ? -10.46629 -34.56718 -31.24342 1.000 55.84302  ? 642 LYS A CE   1 
ATOM   218  N NZ   . LYS A 1 65  ? -10.98422 -35.90530 -30.85947 1.000 55.50586  ? 642 LYS A NZ   1 
ATOM   219  N N    . LEU A 1 66  ? -12.83784 -27.65516 -32.28748 1.000 48.38841  ? 643 LEU A N    1 
ATOM   220  C CA   . LEU A 1 66  ? -13.91914 -26.70942 -32.53802 1.000 44.23703  ? 643 LEU A CA   1 
ATOM   221  C C    . LEU A 1 66  ? -14.28714 -26.64935 -34.00795 1.000 48.29562  ? 643 LEU A C    1 
ATOM   222  O O    . LEU A 1 66  ? -15.44797 -26.40957 -34.34091 1.000 46.38404  ? 643 LEU A O    1 
ATOM   223  C CB   . LEU A 1 66  ? -13.52595 -25.32525 -32.04827 1.000 45.42725  ? 643 LEU A CB   1 
ATOM   224  C CG   . LEU A 1 66  ? -13.48469 -25.22426 -30.54052 1.000 47.50327  ? 643 LEU A CG   1 
ATOM   225  C CD1  . LEU A 1 66  ? -12.72580 -23.98558 -30.09608 1.000 45.59246  ? 643 LEU A CD1  1 
ATOM   226  C CD2  . LEU A 1 66  ? -14.93257 -25.20114 -30.03800 1.000 43.42184  ? 643 LEU A CD2  1 
ATOM   227  N N    . PHE A 1 67  ? -13.32103 -26.83801 -34.90201 1.000 46.93180  ? 644 PHE A N    1 
ATOM   228  C CA   . PHE A 1 67  ? -13.57495 -26.83438 -36.33522 1.000 42.24214  ? 644 PHE A CA   1 
ATOM   229  C C    . PHE A 1 67  ? -12.79561 -27.98347 -36.94968 1.000 50.89385  ? 644 PHE A C    1 
ATOM   230  O O    . PHE A 1 67  ? -12.08536 -28.71725 -36.26091 1.000 52.18662  ? 644 PHE A O    1 
ATOM   231  C CB   . PHE A 1 67  ? -13.19836 -25.50059 -36.98874 1.000 46.09643  ? 644 PHE A CB   1 
ATOM   232  C CG   . PHE A 1 67  ? -13.99340 -24.31781 -36.48019 1.000 52.59164  ? 644 PHE A CG   1 
ATOM   233  C CD1  . PHE A 1 67  ? -13.60932 -23.65301 -35.32857 1.000 49.12288  ? 644 PHE A CD1  1 
ATOM   234  C CD2  . PHE A 1 67  ? -15.11108 -23.85524 -37.17151 1.000 47.45208  ? 644 PHE A CD2  1 
ATOM   235  C CE1  . PHE A 1 67  ? -14.32229 -22.55601 -34.86174 1.000 46.15250  ? 644 PHE A CE1  1 
ATOM   236  C CE2  . PHE A 1 67  ? -15.83387 -22.75314 -36.70816 1.000 54.11390  ? 644 PHE A CE2  1 
ATOM   237  C CZ   . PHE A 1 67  ? -15.43073 -22.09923 -35.54601 1.000 43.13855  ? 644 PHE A CZ   1 
ATOM   238  N N    . GLU A 1 68  ? -12.93730 -28.13939 -38.26147 1.000 58.49892  ? 645 GLU A N    1 
ATOM   239  C CA   . GLU A 1 68  ? -12.34854 -29.28008 -38.95071 1.000 56.24751  ? 645 GLU A CA   1 
ATOM   240  C C    . GLU A 1 68  ? -10.83028 -29.14959 -39.03738 1.000 62.03355  ? 645 GLU A C    1 
ATOM   241  O O    . GLU A 1 68  ? -10.09303 -30.08946 -38.71187 1.000 57.09135  ? 645 GLU A O    1 
ATOM   242  C CB   . GLU A 1 68  ? -12.97497 -29.39205 -40.33924 1.000 65.72418  ? 645 GLU A CB   1 
ATOM   243  C CG   . GLU A 1 68  ? -12.74303 -30.70521 -41.05064 1.000 71.91037  ? 645 GLU A CG   1 
ATOM   244  C CD   . GLU A 1 68  ? -13.06396 -30.61557 -42.53438 1.000 75.97723  ? 645 GLU A CD   1 
ATOM   245  O OE1  . GLU A 1 68  ? -13.65110 -29.59281 -42.96716 1.000 81.32302  ? 645 GLU A OE1  1 
ATOM   246  O OE2  . GLU A 1 68  ? -12.71887 -31.56652 -43.27279 1.000 87.93136  ? 645 GLU A OE2  1 
ATOM   247  N N    . ASN A 1 69  ? -10.34706 -27.98461 -39.46586 1.000 59.73162  ? 646 ASN A N    1 
ATOM   248  C CA   . ASN A 1 69  ? -8.92118  -27.69788 -39.58175 1.000 56.00265  ? 646 ASN A CA   1 
ATOM   249  C C    . ASN A 1 69  ? -8.59092  -26.52954 -38.66465 1.000 52.36344  ? 646 ASN A C    1 
ATOM   250  O O    . ASN A 1 69  ? -8.96535  -25.38325 -38.94839 1.000 56.00421  ? 646 ASN A O    1 
ATOM   251  C CB   . ASN A 1 69  ? -8.54325  -27.38171 -41.02802 1.000 62.81086  ? 646 ASN A CB   1 
ATOM   252  C CG   . ASN A 1 69  ? -8.86189  -28.52412 -41.97444 1.000 72.10926  ? 646 ASN A CG   1 
ATOM   253  O OD1  . ASN A 1 69  ? -9.34690  -28.31219 -43.08844 1.000 73.82297  ? 646 ASN A OD1  1 
ATOM   254  N ND2  . ASN A 1 69  ? -8.59542  -29.74666 -41.53127 1.000 68.58158  ? 646 ASN A ND2  1 
ATOM   255  N N    . THR A 1 70  ? -7.90322  -26.81774 -37.56730 1.000 45.02163  ? 647 THR A N    1 
ATOM   256  C CA   . THR A 1 70  ? -7.49064  -25.79584 -36.62420 1.000 48.64966  ? 647 THR A CA   1 
ATOM   257  C C    . THR A 1 70  ? -5.97347  -25.79587 -36.46224 1.000 53.74769  ? 647 THR A C    1 
ATOM   258  O O    . THR A 1 70  ? -5.28256  -26.77255 -36.77146 1.000 46.05201  ? 647 THR A O    1 
ATOM   259  C CB   . THR A 1 70  ? -8.13259  -26.00756 -35.24470 1.000 54.80272  ? 647 THR A CB   1 
ATOM   260  O OG1  . THR A 1 70  ? -7.63864  -27.22551 -34.67528 1.000 46.22021  ? 647 THR A OG1  1 
ATOM   261  C CG2  . THR A 1 70  ? -9.67287  -26.06061 -35.32999 1.000 48.45471  ? 647 THR A CG2  1 
ATOM   262  N N    . THR A 1 71  ? -5.46836  -24.66625 -35.98782 1.000 51.68889  ? 648 THR A N    1 
ATOM   263  C CA   . THR A 1 71  ? -4.20155  -24.59748 -35.27626 1.000 42.66292  ? 648 THR A CA   1 
ATOM   264  C C    . THR A 1 71  ? -4.53256  -24.13202 -33.86891 1.000 42.02504  ? 648 THR A C    1 
ATOM   265  O O    . THR A 1 71  ? -5.11797  -23.05771 -33.69520 1.000 44.65256  ? 648 THR A O    1 
ATOM   266  C CB   . THR A 1 71  ? -3.22899  -23.62981 -35.93931 1.000 42.68690  ? 648 THR A CB   1 
ATOM   267  O OG1  . THR A 1 71  ? -2.99583  -24.04152 -37.28142 1.000 44.66796  ? 648 THR A OG1  1 
ATOM   268  C CG2  . THR A 1 71  ? -1.91753  -23.60076 -35.18555 1.000 44.71776  ? 648 THR A CG2  1 
ATOM   269  N N    . LEU A 1 72  ? -4.19689  -24.94206 -32.87411 1.000 36.93721  ? 649 LEU A N    1 
ATOM   270  C CA   . LEU A 1 72  ? -4.46161  -24.60727 -31.48056 1.000 38.12961  ? 649 LEU A CA   1 
ATOM   271  C C    . LEU A 1 72  ? -3.21369  -23.94542 -30.91534 1.000 44.78065  ? 649 LEU A C    1 
ATOM   272  O O    . LEU A 1 72  ? -2.17066  -24.59669 -30.76188 1.000 42.79870  ? 649 LEU A O    1 
ATOM   273  C CB   . LEU A 1 72  ? -4.83185  -25.84891 -30.66985 1.000 33.66916  ? 649 LEU A CB   1 
ATOM   274  C CG   . LEU A 1 72  ? -5.00004  -25.55331 -29.17081 1.000 44.28238  ? 649 LEU A CG   1 
ATOM   275  C CD1  . LEU A 1 72  ? -5.99487  -24.45688 -28.95998 1.000 34.26140  ? 649 LEU A CD1  1 
ATOM   276  C CD2  . LEU A 1 72  ? -5.40701  -26.76005 -28.34637 1.000 36.74335  ? 649 LEU A CD2  1 
ATOM   277  N N    . ILE A 1 73  ? -3.30557  -22.65123 -30.62466 1.000 46.06162  ? 650 ILE A N    1 
ATOM   278  C CA   . ILE A 1 73  ? -2.23356  -21.92925 -29.95414 1.000 38.32670  ? 650 ILE A CA   1 
ATOM   279  C C    . ILE A 1 73  ? -2.55301  -21.90137 -28.47633 1.000 39.07008  ? 650 ILE A C    1 
ATOM   280  O O    . ILE A 1 73  ? -3.68082  -21.59185 -28.08607 1.000 44.78826  ? 650 ILE A O    1 
ATOM   281  C CB   . ILE A 1 73  ? -2.07478  -20.50892 -30.50856 1.000 40.54215  ? 650 ILE A CB   1 
ATOM   282  C CG1  . ILE A 1 73  ? -1.78750  -20.57031 -31.99841 1.000 37.31033  ? 650 ILE A CG1  1 
ATOM   283  C CG2  . ILE A 1 73  ? -0.91598  -19.82266 -29.82090 1.000 41.77776  ? 650 ILE A CG2  1 
ATOM   284  C CD1  . ILE A 1 73  ? -1.57502  -19.20877 -32.63469 1.000 41.21454  ? 650 ILE A CD1  1 
ATOM   285  N N    . VAL A 1 74  ? -1.57980  -22.26036 -27.64670 1.000 46.14909  ? 651 VAL A N    1 
ATOM   286  C CA   . VAL A 1 74  ? -1.78256  -22.33242 -26.20927 1.000 42.87745  ? 651 VAL A CA   1 
ATOM   287  C C    . VAL A 1 74  ? -0.84503  -21.34471 -25.55211 1.000 44.90197  ? 651 VAL A C    1 
ATOM   288  O O    . VAL A 1 74  ? 0.36554   -21.40560 -25.77164 1.000 51.78625  ? 651 VAL A O    1 
ATOM   289  C CB   . VAL A 1 74  ? -1.53935  -23.74720 -25.66792 1.000 40.79164  ? 651 VAL A CB   1 
ATOM   290  C CG1  . VAL A 1 74  ? -1.70492  -23.74161 -24.16655 1.000 41.26622  ? 651 VAL A CG1  1 
ATOM   291  C CG2  . VAL A 1 74  ? -2.48333  -24.71851 -26.33373 1.000 43.64973  ? 651 VAL A CG2  1 
ATOM   292  N N    . GLY A 1 75  ? -1.40212  -20.44268 -24.75145 1.000 47.98382  ? 652 GLY A N    1 
ATOM   293  C CA   . GLY A 1 75  ? -0.62441  -19.45092 -24.03545 1.000 40.07543  ? 652 GLY A CA   1 
ATOM   294  C C    . GLY A 1 75  ? -0.49231  -19.85899 -22.56980 1.000 51.04839  ? 652 GLY A C    1 
ATOM   295  O O    . GLY A 1 75  ? -1.45729  -20.29480 -21.95032 1.000 49.25871  ? 652 GLY A O    1 
ATOM   296  N N    . VAL A 1 76  ? 0.71522   -19.70886 -22.04389 1.000 48.56243  ? 653 VAL A N    1 
ATOM   297  C CA   . VAL A 1 76  ? 1.05343   -20.15065 -20.70328 1.000 39.87104  ? 653 VAL A CA   1 
ATOM   298  C C    . VAL A 1 76  ? 1.47927   -18.93462 -19.89707 1.000 49.42231  ? 653 VAL A C    1 
ATOM   299  O O    . VAL A 1 76  ? 2.44569   -18.24485 -20.25716 1.000 53.06737  ? 653 VAL A O    1 
ATOM   300  C CB   . VAL A 1 76  ? 2.15199   -21.21767 -20.73737 1.000 44.64497  ? 653 VAL A CB   1 
ATOM   301  C CG1  . VAL A 1 76  ? 2.37285   -21.78020 -19.36153 1.000 39.73765  ? 653 VAL A CG1  1 
ATOM   302  C CG2  . VAL A 1 76  ? 1.77378   -22.31706 -21.70545 1.000 42.19760  ? 653 VAL A CG2  1 
ATOM   303  N N    . THR A 1 77  ? 0.77625   -18.68629 -18.79281 1.000 47.79033  ? 654 THR A N    1 
ATOM   304  C CA   . THR A 1 77  ? 0.91425   -17.44392 -18.05056 1.000 44.87650  ? 654 THR A CA   1 
ATOM   305  C C    . THR A 1 77  ? 2.19796   -17.42886 -17.22588 1.000 50.14493  ? 654 THR A C    1 
ATOM   306  O O    . THR A 1 77  ? 2.66104   -18.46174 -16.73663 1.000 45.35034  ? 654 THR A O    1 
ATOM   307  C CB   . THR A 1 77  ? -0.29942  -17.25448 -17.14465 1.000 55.14461  ? 654 THR A CB   1 
ATOM   308  O OG1  . THR A 1 77  ? -0.36864  -18.35471 -16.23223 1.000 52.23347  ? 654 THR A OG1  1 
ATOM   309  C CG2  . THR A 1 77  ? -1.56982  -17.24599 -17.97598 1.000 49.72975  ? 654 THR A CG2  1 
ATOM   310  N N    . SER A 1 78  ? 2.75878   -16.23249 -17.06043 1.000 55.57343  ? 655 SER A N    1 
ATOM   311  C CA   . SER A 1 78  ? 4.03212   -16.06925 -16.38144 1.000 52.46918  ? 655 SER A CA   1 
ATOM   312  C C    . SER A 1 78  ? 3.88251   -16.33043 -14.88564 1.000 57.09102  ? 655 SER A C    1 
ATOM   313  O O    . SER A 1 78  ? 2.78435   -16.27940 -14.33253 1.000 65.95920  ? 655 SER A O    1 
ATOM   314  C CB   . SER A 1 78  ? 4.57942   -14.66075 -16.61283 1.000 56.75523  ? 655 SER A CB   1 
ATOM   315  O OG   . SER A 1 78  ? 3.89819   -13.70325 -15.81892 1.000 64.50422  ? 655 SER A OG   1 
ATOM   316  N N    . ASP A 1 79  ? 5.01266   -16.60888 -14.22415 1.000 64.28989  ? 656 ASP A N    1 
ATOM   317  C CA   . ASP A 1 79  ? 4.97671   -16.87320 -12.78623 1.000 68.57935  ? 656 ASP A CA   1 
ATOM   318  C C    . ASP A 1 79  ? 4.52295   -15.64097 -12.02430 1.000 70.95977  ? 656 ASP A C    1 
ATOM   319  O O    . ASP A 1 79  ? 3.58478   -15.70068 -11.21817 1.000 69.74915  ? 656 ASP A O    1 
ATOM   320  C CB   . ASP A 1 79  ? 6.34804   -17.32232 -12.27701 1.000 69.79232  ? 656 ASP A CB   1 
ATOM   321  C CG   . ASP A 1 79  ? 6.71804   -18.71809 -12.73738 1.000 81.45034  ? 656 ASP A CG   1 
ATOM   322  O OD1  . ASP A 1 79  ? 5.79623   -19.52855 -13.00989 1.000 73.18199  ? 656 ASP A OD1  1 
ATOM   323  O OD2  . ASP A 1 79  ? 7.93706   -19.00242 -12.82940 1.000 84.20479  ? 656 ASP A OD2  1 
ATOM   324  N N    . ASN A 1 80  ? 5.18858   -14.50989 -12.26798 1.000 62.04626  ? 657 ASN A N    1 
ATOM   325  C CA   . ASN A 1 80  ? 4.90064   -13.30199 -11.51432 1.000 69.76635  ? 657 ASN A CA   1 
ATOM   326  C C    . ASN A 1 80  ? 3.41929   -12.95525 -11.56328 1.000 72.24248  ? 657 ASN A C    1 
ATOM   327  O O    . ASN A 1 80  ? 2.79816   -12.68722 -10.52599 1.000 70.23477  ? 657 ASN A O    1 
ATOM   328  C CB   . ASN A 1 80  ? 5.76306   -12.15689 -12.04077 1.000 71.37309  ? 657 ASN A CB   1 
ATOM   329  C CG   . ASN A 1 80  ? 7.17622   -12.18155 -11.45083 1.000 87.83003  ? 657 ASN A CG   1 
ATOM   330  O OD1  . ASN A 1 80  ? 7.60916   -13.19894 -10.88841 1.000 80.74470  ? 657 ASN A OD1  1 
ATOM   331  N ND2  . ASN A 1 80  ? 7.89224   -11.05874 -11.55632 1.000 94.17588  ? 657 ASN A ND2  1 
ATOM   332  N N    . GLU A 1 81  ? 2.83026   -12.98021 -12.76098 1.000 62.52228  ? 658 GLU A N    1 
ATOM   333  C CA   . GLU A 1 81  ? 1.44696   -12.53551 -12.91393 1.000 70.33366  ? 658 GLU A CA   1 
ATOM   334  C C    . GLU A 1 81  ? 0.47346   -13.53257 -12.29755 1.000 64.68552  ? 658 GLU A C    1 
ATOM   335  O O    . GLU A 1 81  ? -0.44648  -13.14276 -11.57303 1.000 77.04284  ? 658 GLU A O    1 
ATOM   336  C CB   . GLU A 1 81  ? 1.13570   -12.28197 -14.39132 1.000 59.60161  ? 658 GLU A CB   1 
ATOM   337  C CG   . GLU A 1 81  ? 1.68924   -10.93159 -14.85642 1.000 61.34162  ? 658 GLU A CG   1 
ATOM   338  C CD   . GLU A 1 81  ? 1.68464   -10.76310 -16.35997 1.000 62.56784  ? 658 GLU A CD   1 
ATOM   339  O OE1  . GLU A 1 81  ? 1.87153   -11.76555 -17.07173 1.000 60.37031  ? 658 GLU A OE1  1 
ATOM   340  O OE2  . GLU A 1 81  ? 1.50235   -9.62090  -16.83432 1.000 70.08315  ? 658 GLU A OE2  1 
ATOM   341  N N    . THR A 1 82  ? 0.67139   -14.82614 -12.55208 1.000 71.15538  ? 659 THR A N    1 
ATOM   342  C CA   . THR A 1 82  ? -0.11485  -15.84574 -11.86248 1.000 66.80248  ? 659 THR A CA   1 
ATOM   343  C C    . THR A 1 82  ? -0.08183  -15.64966 -10.35003 1.000 75.14671  ? 659 THR A C    1 
ATOM   344  O O    . THR A 1 82  ? -1.12346  -15.51026 -9.70336  1.000 74.94264  ? 659 THR A O    1 
ATOM   345  C CB   . THR A 1 82  ? 0.40354   -17.24179 -12.19898 1.000 63.51422  ? 659 THR A CB   1 
ATOM   346  O OG1  . THR A 1 82  ? 0.15918   -17.53789 -13.57367 1.000 66.47726  ? 659 THR A OG1  1 
ATOM   347  C CG2  . THR A 1 82  ? -0.28560  -18.27234 -11.32178 1.000 71.96075  ? 659 THR A CG2  1 
ATOM   348  N N    . LYS A 1 83  ? 1.11890   -15.67595 -9.76395  1.000 80.86860  ? 660 LYS A N    1 
ATOM   349  C CA   . LYS A 1 83  ? 1.24209   -15.55571 -8.31163  1.000 82.36541  ? 660 LYS A CA   1 
ATOM   350  C C    . LYS A 1 83  ? 0.46379   -14.35867 -7.78316  1.000 84.91244  ? 660 LYS A C    1 
ATOM   351  O O    . LYS A 1 83  ? -0.12503  -14.41200 -6.69426  1.000 89.40074  ? 660 LYS A O    1 
ATOM   352  C CB   . LYS A 1 83  ? 2.71254   -15.43966 -7.91091  1.000 75.55464  ? 660 LYS A CB   1 
ATOM   353  N N    . LEU A 1 84  ? 0.43377   -13.27679 -8.55022  1.000 74.19319  ? 661 LEU A N    1 
ATOM   354  C CA   . LEU A 1 84  ? -0.13327  -12.02632 -8.07886  1.000 78.26105  ? 661 LEU A CA   1 
ATOM   355  C C    . LEU A 1 84  ? -1.65146  -11.94545 -8.23471  1.000 82.93816  ? 661 LEU A C    1 
ATOM   356  O O    . LEU A 1 84  ? -2.27406  -11.11385 -7.56515  1.000 90.88352  ? 661 LEU A O    1 
ATOM   357  C CB   . LEU A 1 84  ? 0.54433   -10.87272 -8.81853  1.000 71.34583  ? 661 LEU A CB   1 
ATOM   358  C CG   . LEU A 1 84  ? -0.08326  -9.48462  -8.78845  1.000 81.65935  ? 661 LEU A CG   1 
ATOM   359  C CD1  . LEU A 1 84  ? 0.23622   -8.78152  -7.48730  1.000 81.25352  ? 661 LEU A CD1  1 
ATOM   360  C CD2  . LEU A 1 84  ? 0.41996   -8.69291  -9.98807  1.000 81.81124  ? 661 LEU A CD2  1 
ATOM   361  N N    . PHE A 1 85  ? -2.26475  -12.78612 -9.07996  1.000 83.79474  ? 662 PHE A N    1 
ATOM   362  C CA   . PHE A 1 85  ? -3.71388  -12.77718 -9.28764  1.000 81.74444  ? 662 PHE A CA   1 
ATOM   363  C C    . PHE A 1 85  ? -4.36690  -14.06466 -8.76263  1.000 84.16397  ? 662 PHE A C    1 
ATOM   364  O O    . PHE A 1 85  ? -5.09434  -14.01774 -7.76895  1.000 102.46812 ? 662 PHE A O    1 
ATOM   365  C CB   . PHE A 1 85  ? -4.06475  -12.56496 -10.76473 1.000 75.20759  ? 662 PHE A CB   1 
ATOM   366  C CG   . PHE A 1 85  ? -3.56889  -11.25653 -11.33145 1.000 76.98137  ? 662 PHE A CG   1 
ATOM   367  C CD1  . PHE A 1 85  ? -3.98696  -10.05152 -10.80051 1.000 84.22663  ? 662 PHE A CD1  1 
ATOM   368  C CD2  . PHE A 1 85  ? -2.69791  -11.23509 -12.41243 1.000 73.44652  ? 662 PHE A CD2  1 
ATOM   369  C CE1  . PHE A 1 85  ? -3.52826  -8.84909  -11.32399 1.000 84.02630  ? 662 PHE A CE1  1 
ATOM   370  C CE2  . PHE A 1 85  ? -2.24487  -10.03989 -12.93770 1.000 67.99605  ? 662 PHE A CE2  1 
ATOM   371  C CZ   . PHE A 1 85  ? -2.65722  -8.84715  -12.38957 1.000 74.84998  ? 662 PHE A CZ   1 
ATOM   372  N N    . LYS A 1 86  ? -4.13404  -15.20514 -9.41388  1.000 82.34852  ? 663 LYS A N    1 
ATOM   373  C CA   . LYS A 1 86  ? -4.76170  -16.45185 -8.97562  1.000 79.28504  ? 663 LYS A CA   1 
ATOM   374  C C    . LYS A 1 86  ? -4.32718  -16.81876 -7.56079  1.000 90.17556  ? 663 LYS A C    1 
ATOM   375  O O    . LYS A 1 86  ? -5.16337  -17.07389 -6.68554  1.000 104.71690 ? 663 LYS A O    1 
ATOM   376  C CB   . LYS A 1 86  ? -4.43286  -17.58347 -9.95692  1.000 76.05282  ? 663 LYS A CB   1 
ATOM   377  N N    . GLY A 1 87  ? -3.03090  -16.81451 -7.30999  1.000 87.84123  ? 664 GLY A N    1 
ATOM   378  C CA   . GLY A 1 87  ? -2.45110  -17.27386 -6.07005  1.000 86.99325  ? 664 GLY A CA   1 
ATOM   379  C C    . GLY A 1 87  ? -1.18020  -18.04606 -6.35816  1.000 96.78148  ? 664 GLY A C    1 
ATOM   380  O O    . GLY A 1 87  ? -0.69536  -18.08041 -7.49088  1.000 91.43516  ? 664 GLY A O    1 
ATOM   381  N N    . GLN A 1 88  ? -0.63142  -18.67495 -5.31678  1.000 104.86430 ? 665 GLN A N    1 
ATOM   382  C CA   . GLN A 1 88  ? 0.60846   -19.42194 -5.47552  1.000 100.41134 ? 665 GLN A CA   1 
ATOM   383  C C    . GLN A 1 88  ? 0.49861   -20.37606 -6.65628  1.000 101.92323 ? 665 GLN A C    1 
ATOM   384  O O    . GLN A 1 88  ? -0.58567  -20.86061 -6.99323  1.000 102.85883 ? 665 GLN A O    1 
ATOM   385  C CB   . GLN A 1 88  ? 0.93912   -20.19857 -4.20122  1.000 104.83381 ? 665 GLN A CB   1 
ATOM   386  N N    . VAL A 1 89  ? 1.63276   -20.62446 -7.30642  1.000 87.49407  ? 666 VAL A N    1 
ATOM   387  C CA   . VAL A 1 89  ? 1.71317   -21.55040 -8.42782  1.000 75.08355  ? 666 VAL A CA   1 
ATOM   388  C C    . VAL A 1 89  ? 2.79912   -22.57038 -8.13156  1.000 72.33566  ? 666 VAL A C    1 
ATOM   389  O O    . VAL A 1 89  ? 3.86893   -22.22349 -7.61760  1.000 73.10960  ? 666 VAL A O    1 
ATOM   390  C CB   . VAL A 1 89  ? 1.98329   -20.82284 -9.75699  1.000 65.14641  ? 666 VAL A CB   1 
ATOM   391  C CG1  . VAL A 1 89  ? 3.20321   -19.94123 -9.62825  1.000 80.23801  ? 666 VAL A CG1  1 
ATOM   392  C CG2  . VAL A 1 89  ? 2.15754   -21.82803 -10.85988 1.000 64.67312  ? 666 VAL A CG2  1 
ATOM   393  N N    . VAL A 1 90  ? 2.51845   -23.82789 -8.44888  1.000 66.68894  ? 667 VAL A N    1 
ATOM   394  C CA   . VAL A 1 90  ? 3.33458   -24.93314 -7.96886  1.000 63.03366  ? 667 VAL A CA   1 
ATOM   395  C C    . VAL A 1 90  ? 4.53312   -25.16881 -8.86762  1.000 64.28437  ? 667 VAL A C    1 
ATOM   396  O O    . VAL A 1 90  ? 5.65755   -25.32098 -8.38470  1.000 60.72346  ? 667 VAL A O    1 
ATOM   397  C CB   . VAL A 1 90  ? 2.46954   -26.20205 -7.84746  1.000 74.68450  ? 667 VAL A CB   1 
ATOM   398  C CG1  . VAL A 1 90  ? 3.30391   -27.36948 -7.34348  1.000 63.78005  ? 667 VAL A CG1  1 
ATOM   399  C CG2  . VAL A 1 90  ? 1.29762   -25.94630 -6.90857  1.000 84.91611  ? 667 VAL A CG2  1 
ATOM   400  N N    . GLN A 1 91  ? 4.30864   -25.20145 -10.18050 1.000 64.58389  ? 668 GLN A N    1 
ATOM   401  C CA   . GLN A 1 91  ? 5.36745   -25.41263 -11.15740 1.000 59.62134  ? 668 GLN A CA   1 
ATOM   402  C C    . GLN A 1 91  ? 5.75848   -24.09793 -11.81221 1.000 57.60119  ? 668 GLN A C    1 
ATOM   403  O O    . GLN A 1 91  ? 4.90412   -23.25570 -12.08646 1.000 60.25509  ? 668 GLN A O    1 
ATOM   404  C CB   . GLN A 1 91  ? 4.92042   -26.38447 -12.23951 1.000 51.28926  ? 668 GLN A CB   1 
ATOM   405  C CG   . GLN A 1 91  ? 4.52975   -27.74387 -11.75397 1.000 54.15354  ? 668 GLN A CG   1 
ATOM   406  C CD   . GLN A 1 91  ? 4.07614   -28.61167 -12.90216 1.000 57.18723  ? 668 GLN A CD   1 
ATOM   407  O OE1  . GLN A 1 91  ? 3.06000   -28.33613 -13.55133 1.000 52.59879  ? 668 GLN A OE1  1 
ATOM   408  N NE2  . GLN A 1 91  ? 4.84582   -29.64745 -13.18929 1.000 61.16583  ? 668 GLN A NE2  1 
ATOM   409  N N    . THR A 1 92  ? 7.04772   -23.94439 -12.09459 1.000 55.84463  ? 669 THR A N    1 
ATOM   410  C CA   . THR A 1 92  ? 7.52862   -22.76003 -12.78000 1.000 51.87873  ? 669 THR A CA   1 
ATOM   411  C C    . THR A 1 92  ? 7.02748   -22.72364 -14.21930 1.000 45.36314  ? 669 THR A C    1 
ATOM   412  O O    . THR A 1 92  ? 6.49521   -23.69287 -14.75881 1.000 48.42772  ? 669 THR A O    1 
ATOM   413  C CB   . THR A 1 92  ? 9.05077   -22.72477 -12.79733 1.000 57.38625  ? 669 THR A CB   1 
ATOM   414  O OG1  . THR A 1 92  ? 9.53520   -23.77356 -13.64959 1.000 55.36480  ? 669 THR A OG1  1 
ATOM   415  C CG2  . THR A 1 92  ? 9.58690   -22.91019 -11.40093 1.000 55.09113  ? 669 THR A CG2  1 
ATOM   416  N N    . LEU A 1 93  ? 7.22104   -21.57289 -14.85291 1.000 51.37274  ? 670 LEU A N    1 
ATOM   417  C CA   . LEU A 1 93  ? 6.85412   -21.45644 -16.25430 1.000 47.61293  ? 670 LEU A CA   1 
ATOM   418  C C    . LEU A 1 93  ? 7.46197   -22.59416 -17.06067 1.000 48.56885  ? 670 LEU A C    1 
ATOM   419  O O    . LEU A 1 93  ? 6.75987   -23.31015 -17.77345 1.000 53.40373  ? 670 LEU A O    1 
ATOM   420  C CB   . LEU A 1 93  ? 7.29502   -20.09730 -16.79660 1.000 51.72906  ? 670 LEU A CB   1 
ATOM   421  C CG   . LEU A 1 93  ? 6.85426   -19.79792 -18.23448 1.000 58.01154  ? 670 LEU A CG   1 
ATOM   422  C CD1  . LEU A 1 93  ? 5.31099   -19.73346 -18.37652 1.000 52.27690  ? 670 LEU A CD1  1 
ATOM   423  C CD2  . LEU A 1 93  ? 7.49563   -18.52443 -18.73632 1.000 39.89723  ? 670 LEU A CD2  1 
ATOM   424  N N    . GLU A 1 94  ? 8.77146   -22.79548 -16.94346 1.000 54.04620  ? 671 GLU A N    1 
ATOM   425  C CA   . GLU A 1 94  ? 9.42894   -23.80673 -17.76739 1.000 52.73241  ? 671 GLU A CA   1 
ATOM   426  C C    . GLU A 1 94  ? 8.81045   -25.18802 -17.55882 1.000 43.71592  ? 671 GLU A C    1 
ATOM   427  O O    . GLU A 1 94  ? 8.58294   -25.92495 -18.52183 1.000 41.74764  ? 671 GLU A O    1 
ATOM   428  C CB   . GLU A 1 94  ? 10.93170  -23.82961 -17.46980 1.000 57.36117  ? 671 GLU A CB   1 
ATOM   429  C CG   . GLU A 1 94  ? 11.65712  -22.49738 -17.73315 1.000 65.02982  ? 671 GLU A CG   1 
ATOM   430  C CD   . GLU A 1 94  ? 11.23950  -21.34640 -16.78315 1.000 78.76245  ? 671 GLU A CD   1 
ATOM   431  O OE1  . GLU A 1 94  ? 10.48269  -21.59627 -15.81162 1.000 70.27593  ? 671 GLU A OE1  1 
ATOM   432  O OE2  . GLU A 1 94  ? 11.67941  -20.18618 -17.00651 1.000 75.37906  ? 671 GLU A OE2  1 
ATOM   433  N N    . GLU A 1 95  ? 8.53363   -25.55960 -16.31127 1.000 45.19617  ? 672 GLU A N    1 
ATOM   434  C CA   . GLU A 1 95  ? 7.91523   -26.85420 -16.05553 1.000 41.16266  ? 672 GLU A CA   1 
ATOM   435  C C    . GLU A 1 95  ? 6.53229   -26.94314 -16.67556 1.000 47.49924  ? 672 GLU A C    1 
ATOM   436  O O    . GLU A 1 95  ? 6.18234   -27.96379 -17.28320 1.000 54.82805  ? 672 GLU A O    1 
ATOM   437  C CB   . GLU A 1 95  ? 7.82867   -27.10233 -14.54835 1.000 51.97449  ? 672 GLU A CB   1 
ATOM   438  C CG   . GLU A 1 95  ? 9.10926   -27.60244 -13.92873 1.000 54.86270  ? 672 GLU A CG   1 
ATOM   439  C CD   . GLU A 1 95  ? 9.15294   -27.39960 -12.41828 1.000 62.81524  ? 672 GLU A CD   1 
ATOM   440  O OE1  . GLU A 1 95  ? 8.27224   -26.68932 -11.87813 1.000 62.33694  ? 672 GLU A OE1  1 
ATOM   441  O OE2  . GLU A 1 95  ? 10.07697  -27.94619 -11.77774 1.000 61.17113  ? 672 GLU A OE2  1 
ATOM   442  N N    . ARG A 1 96  ? 5.72315   -25.89098 -16.53005 1.000 43.10321  ? 673 ARG A N    1 
ATOM   443  C CA   . ARG A 1 96  ? 4.38450   -25.95050 -17.10107 1.000 42.64455  ? 673 ARG A CA   1 
ATOM   444  C C    . ARG A 1 96  ? 4.42711   -25.91310 -18.61339 1.000 45.21413  ? 673 ARG A C    1 
ATOM   445  O O    . ARG A 1 96  ? 3.58670   -26.52857 -19.26301 1.000 44.49260  ? 673 ARG A O    1 
ATOM   446  C CB   . ARG A 1 96  ? 3.51812   -24.81362 -16.55657 1.000 43.85024  ? 673 ARG A CB   1 
ATOM   447  C CG   . ARG A 1 96  ? 3.26723   -24.92595 -15.07774 1.000 46.38097  ? 673 ARG A CG   1 
ATOM   448  C CD   . ARG A 1 96  ? 2.49963   -23.75988 -14.50626 1.000 55.70435  ? 673 ARG A CD   1 
ATOM   449  N NE   . ARG A 1 96  ? 3.28426   -22.53814 -14.36212 1.000 52.60157  ? 673 ARG A NE   1 
ATOM   450  C CZ   . ARG A 1 96  ? 2.98595   -21.39374 -14.96217 1.000 55.45215  ? 673 ARG A CZ   1 
ATOM   451  N NH1  . ARG A 1 96  ? 1.97065   -21.30129 -15.80069 1.000 47.94026  ? 673 ARG A NH1  1 
ATOM   452  N NH2  . ARG A 1 96  ? 3.71271   -20.31367 -14.70000 1.000 54.73698  ? 673 ARG A NH2  1 
ATOM   453  N N    . THR A 1 97  ? 5.38506   -25.20772 -19.19940 1.000 43.02935  ? 674 THR A N    1 
ATOM   454  C CA   . THR A 1 97  ? 5.45495   -25.18897 -20.65263 1.000 40.37990  ? 674 THR A CA   1 
ATOM   455  C C    . THR A 1 97  ? 5.90531   -26.53498 -21.20761 1.000 43.41183  ? 674 THR A C    1 
ATOM   456  O O    . THR A 1 97  ? 5.39654   -26.98176 -22.24132 1.000 44.91426  ? 674 THR A O    1 
ATOM   457  C CB   . THR A 1 97  ? 6.38588   -24.08164 -21.11888 1.000 43.70072  ? 674 THR A CB   1 
ATOM   458  O OG1  . THR A 1 97  ? 5.86521   -22.82027 -20.68410 1.000 41.43497  ? 674 THR A OG1  1 
ATOM   459  C CG2  . THR A 1 97  ? 6.49365   -24.08883 -22.63100 1.000 34.45401  ? 674 THR A CG2  1 
ATOM   460  N N    . GLU A 1 98  ? 6.79769   -27.23277 -20.50853 1.000 40.77202  ? 675 GLU A N    1 
ATOM   461  C CA   . GLU A 1 98  ? 7.35790   -28.45055 -21.08912 1.000 53.51341  ? 675 GLU A CA   1 
ATOM   462  C C    . GLU A 1 98  ? 6.31780   -29.56740 -21.14400 1.000 49.35883  ? 675 GLU A C    1 
ATOM   463  O O    . GLU A 1 98  ? 6.22895   -30.29824 -22.13428 1.000 53.98711  ? 675 GLU A O    1 
ATOM   464  C CB   . GLU A 1 98  ? 8.60001   -28.89582 -20.30670 1.000 45.88060  ? 675 GLU A CB   1 
ATOM   465  C CG   . GLU A 1 98  ? 9.78637   -29.16306 -21.21901 1.000 61.93370  ? 675 GLU A CG   1 
ATOM   466  C CD   . GLU A 1 98  ? 10.44727  -30.49508 -20.94582 1.000 75.07687  ? 675 GLU A CD   1 
ATOM   467  O OE1  . GLU A 1 98  ? 10.95147  -30.68245 -19.81000 1.000 83.62080  ? 675 GLU A OE1  1 
ATOM   468  O OE2  . GLU A 1 98  ? 10.46119  -31.35993 -21.86409 1.000 74.54216  ? 675 GLU A OE2  1 
ATOM   469  N N    . THR A 1 99  ? 5.52925   -29.72415 -20.09108 1.000 50.16882  ? 676 THR A N    1 
ATOM   470  C CA   . THR A 1 99  ? 4.45328   -30.70692 -20.13676 1.000 51.68344  ? 676 THR A CA   1 
ATOM   471  C C    . THR A 1 99  ? 3.57022   -30.51702 -21.36964 1.000 49.47220  ? 676 THR A C    1 
ATOM   472  O O    . THR A 1 99  ? 3.24087   -31.48474 -22.06141 1.000 53.50284  ? 676 THR A O    1 
ATOM   473  C CB   . THR A 1 99  ? 3.63912   -30.61200 -18.85717 1.000 44.62259  ? 676 THR A CB   1 
ATOM   474  O OG1  . THR A 1 99  ? 4.53263   -30.79650 -17.75672 1.000 51.13783  ? 676 THR A OG1  1 
ATOM   475  C CG2  . THR A 1 99  ? 2.56829   -31.67909 -18.81111 1.000 50.41236  ? 676 THR A CG2  1 
ATOM   476  N N    . LEU A 1 100 ? 3.18451   -29.27862 -21.67089 1.000 51.70434  ? 677 LEU A N    1 
ATOM   477  C CA   . LEU A 1 100 ? 2.32852   -29.03487 -22.82872 1.000 39.39465  ? 677 LEU A CA   1 
ATOM   478  C C    . LEU A 1 100 ? 2.95788   -29.49907 -24.13090 1.000 47.01754  ? 677 LEU A C    1 
ATOM   479  O O    . LEU A 1 100 ? 2.23565   -29.74080 -25.10138 1.000 47.02405  ? 677 LEU A O    1 
ATOM   480  C CB   . LEU A 1 100 ? 1.99578   -27.55074 -22.90756 1.000 46.59081  ? 677 LEU A CB   1 
ATOM   481  C CG   . LEU A 1 100 ? 1.07132   -27.14595 -21.76505 1.000 40.55611  ? 677 LEU A CG   1 
ATOM   482  C CD1  . LEU A 1 100 ? 0.91541   -25.64058 -21.71272 1.000 48.16395  ? 677 LEU A CD1  1 
ATOM   483  C CD2  . LEU A 1 100 ? -0.24753  -27.81294 -22.02783 1.000 40.17306  ? 677 LEU A CD2  1 
ATOM   484  N N    . LYS A 1 101 ? 4.28068   -29.63340 -24.17506 1.000 46.48365  ? 678 LYS A N    1 
ATOM   485  C CA   . LYS A 1 101 ? 4.94861   -30.09057 -25.38877 1.000 55.45239  ? 678 LYS A CA   1 
ATOM   486  C C    . LYS A 1 101 ? 4.59708   -31.52374 -25.75139 1.000 50.24365  ? 678 LYS A C    1 
ATOM   487  O O    . LYS A 1 101 ? 4.80394   -31.92139 -26.89955 1.000 54.84577  ? 678 LYS A O    1 
ATOM   488  C CB   . LYS A 1 101 ? 6.47370   -29.99058 -25.24778 1.000 45.41827  ? 678 LYS A CB   1 
ATOM   489  C CG   . LYS A 1 101 ? 7.01135   -28.57709 -25.17972 1.000 53.30480  ? 678 LYS A CG   1 
ATOM   490  C CD   . LYS A 1 101 ? 8.52096   -28.58885 -24.85924 1.000 53.27986  ? 678 LYS A CD   1 
ATOM   491  C CE   . LYS A 1 101 ? 9.07974   -27.18569 -24.60154 1.000 51.97711  ? 678 LYS A CE   1 
ATOM   492  N NZ   . LYS A 1 101 ? 10.49500  -27.22659 -24.07647 1.000 65.32926  ? 678 LYS A NZ   1 
ATOM   493  N N    . HIS A 1 102 ? 4.10653   -32.31992 -24.81217 1.000 44.73765  ? 679 HIS A N    1 
ATOM   494  C CA   . HIS A 1 102 ? 3.79521   -33.70469 -25.11408 1.000 44.79908  ? 679 HIS A CA   1 
ATOM   495  C C    . HIS A 1 102 ? 2.31511   -33.94236 -25.37769 1.000 42.83567  ? 679 HIS A C    1 
ATOM   496  O O    . HIS A 1 102 ? 1.90989   -35.08934 -25.57875 1.000 45.57239  ? 679 HIS A O    1 
ATOM   497  C CB   . HIS A 1 102 ? 4.29299   -34.59513 -23.97924 1.000 45.78785  ? 679 HIS A CB   1 
ATOM   498  C CG   . HIS A 1 102 ? 5.77056   -34.50433 -23.77075 1.000 49.16518  ? 679 HIS A CG   1 
ATOM   499  N ND1  . HIS A 1 102 ? 6.64807   -35.47331 -24.21005 1.000 50.27561  ? 679 HIS A ND1  1 
ATOM   500  C CD2  . HIS A 1 102 ? 6.52923   -33.53944 -23.20292 1.000 50.49592  ? 679 HIS A CD2  1 
ATOM   501  C CE1  . HIS A 1 102 ? 7.88206   -35.11303 -23.90890 1.000 45.51302  ? 679 HIS A CE1  1 
ATOM   502  N NE2  . HIS A 1 102 ? 7.83489   -33.94496 -23.29641 1.000 44.65316  ? 679 HIS A NE2  1 
ATOM   503  N N    . ILE A 1 103 ? 1.50559   -32.89428 -25.41259 1.000 44.44304  ? 680 ILE A N    1 
ATOM   504  C CA   . ILE A 1 103 ? 0.05970   -33.05147 -25.48683 1.000 41.41185  ? 680 ILE A CA   1 
ATOM   505  C C    . ILE A 1 103 ? -0.35694  -33.02055 -26.94919 1.000 48.34391  ? 680 ILE A C    1 
ATOM   506  O O    . ILE A 1 103 ? -0.04938  -32.07111 -27.67918 1.000 42.56824  ? 680 ILE A O    1 
ATOM   507  C CB   . ILE A 1 103 ? -0.65340  -31.97674 -24.66047 1.000 45.11668  ? 680 ILE A CB   1 
ATOM   508  C CG1  . ILE A 1 103 ? -0.27136  -32.14317 -23.18089 1.000 47.33923  ? 680 ILE A CG1  1 
ATOM   509  C CG2  . ILE A 1 103 ? -2.14650  -32.06712 -24.82583 1.000 45.84886  ? 680 ILE A CG2  1 
ATOM   510  C CD1  . ILE A 1 103 ? -0.19578  -33.59555 -22.71985 1.000 42.54283  ? 680 ILE A CD1  1 
ATOM   511  N N    . ARG A 1 104 ? -1.03491  -34.08705 -27.37619 1.000 47.71757  ? 681 ARG A N    1 
ATOM   512  C CA   . ARG A 1 104 ? -1.36878  -34.29239 -28.78292 1.000 42.93949  ? 681 ARG A CA   1 
ATOM   513  C C    . ARG A 1 104 ? -2.04322  -33.08437 -29.40313 1.000 47.79392  ? 681 ARG A C    1 
ATOM   514  O O    . ARG A 1 104 ? -1.84535  -32.80758 -30.59194 1.000 50.81422  ? 681 ARG A O    1 
ATOM   515  C CB   . ARG A 1 104 ? -2.28528  -35.51483 -28.91081 1.000 47.76637  ? 681 ARG A CB   1 
ATOM   516  C CG   . ARG A 1 104 ? -2.68669  -35.85888 -30.32165 1.000 47.23637  ? 681 ARG A CG   1 
ATOM   517  C CD   . ARG A 1 104 ? -3.79428  -36.88998 -30.34127 1.000 41.78960  ? 681 ARG A CD   1 
ATOM   518  N NE   . ARG A 1 104 ? -3.44692  -38.14585 -29.68003 1.000 49.66086  ? 681 ARG A NE   1 
ATOM   519  C CZ   . ARG A 1 104 ? -2.65318  -39.07980 -30.19565 1.000 57.62767  ? 681 ARG A CZ   1 
ATOM   520  N NH1  . ARG A 1 104 ? -1.99657  -38.87993 -31.32884 1.000 52.84084  ? 681 ARG A NH1  1 
ATOM   521  N NH2  . ARG A 1 104 ? -2.51396  -40.24431 -29.55618 1.000 56.72261  ? 681 ARG A NH2  1 
ATOM   522  N N    . TRP A 1 105 ? -2.84329  -32.35497 -28.63353 1.000 40.63832  ? 682 TRP A N    1 
ATOM   523  C CA   . TRP A 1 105 ? -3.69553  -31.34991 -29.25289 1.000 49.69233  ? 682 TRP A CA   1 
ATOM   524  C C    . TRP A 1 105 ? -3.00470  -30.00921 -29.43743 1.000 50.22411  ? 682 TRP A C    1 
ATOM   525  O O    . TRP A 1 105 ? -3.53399  -29.15557 -30.15952 1.000 45.43147  ? 682 TRP A O    1 
ATOM   526  C CB   . TRP A 1 105 ? -4.97326  -31.15379 -28.42274 1.000 38.43297  ? 682 TRP A CB   1 
ATOM   527  C CG   . TRP A 1 105 ? -5.49816  -32.43729 -27.89607 1.000 42.49017  ? 682 TRP A CG   1 
ATOM   528  C CD1  . TRP A 1 105 ? -5.48513  -32.84841 -26.60972 1.000 36.73601  ? 682 TRP A CD1  1 
ATOM   529  C CD2  . TRP A 1 105 ? -6.07177  -33.51027 -28.65970 1.000 38.61664  ? 682 TRP A CD2  1 
ATOM   530  N NE1  . TRP A 1 105 ? -6.02841  -34.11057 -26.50628 1.000 44.35074  ? 682 TRP A NE1  1 
ATOM   531  C CE2  . TRP A 1 105 ? -6.39907  -34.53579 -27.75570 1.000 43.79466  ? 682 TRP A CE2  1 
ATOM   532  C CE3  . TRP A 1 105 ? -6.34666  -33.69780 -30.01727 1.000 44.32106  ? 682 TRP A CE3  1 
ATOM   533  C CZ2  . TRP A 1 105 ? -6.99640  -35.72930 -28.16381 1.000 44.97427  ? 682 TRP A CZ2  1 
ATOM   534  C CZ3  . TRP A 1 105 ? -6.94415  -34.90282 -30.42467 1.000 46.89878  ? 682 TRP A CZ3  1 
ATOM   535  C CH2  . TRP A 1 105 ? -7.26074  -35.88979 -29.50288 1.000 44.57982  ? 682 TRP A CH2  1 
ATOM   536  N N    . VAL A 1 106 ? -1.86476  -29.79406 -28.79090 1.000 45.59943  ? 683 VAL A N    1 
ATOM   537  C CA   . VAL A 1 106 ? -1.20075  -28.49694 -28.80807 1.000 36.44354  ? 683 VAL A CA   1 
ATOM   538  C C    . VAL A 1 106 ? -0.39872  -28.37432 -30.09332 1.000 44.63633  ? 683 VAL A C    1 
ATOM   539  O O    . VAL A 1 106 ? 0.49575   -29.18722 -30.35073 1.000 58.95528  ? 683 VAL A O    1 
ATOM   540  C CB   . VAL A 1 106 ? -0.29953  -28.33483 -27.57779 1.000 43.64005  ? 683 VAL A CB   1 
ATOM   541  C CG1  . VAL A 1 106 ? 0.59664   -27.10035 -27.72624 1.000 40.52438  ? 683 VAL A CG1  1 
ATOM   542  C CG2  . VAL A 1 106 ? -1.12761  -28.21100 -26.33537 1.000 42.06600  ? 683 VAL A CG2  1 
ATOM   543  N N    . ASP A 1 107 ? -0.69706  -27.35156 -30.89931 1.000 46.77545  ? 684 ASP A N    1 
ATOM   544  C CA   . ASP A 1 107 ? 0.08005   -27.12084 -32.11029 1.000 35.13887  ? 684 ASP A CA   1 
ATOM   545  C C    . ASP A 1 107 ? 1.16131   -26.06517 -31.91192 1.000 45.31554  ? 684 ASP A C    1 
ATOM   546  O O    . ASP A 1 107 ? 2.28098   -26.21163 -32.40866 1.000 38.85656  ? 684 ASP A O    1 
ATOM   547  C CB   . ASP A 1 107 ? -0.82287  -26.69440 -33.27012 1.000 41.99831  ? 684 ASP A CB   1 
ATOM   548  C CG   . ASP A 1 107 ? -1.95685  -27.67804 -33.53142 1.000 52.87556  ? 684 ASP A CG   1 
ATOM   549  O OD1  . ASP A 1 107 ? -1.71379  -28.90822 -33.47844 1.000 54.29357  ? 684 ASP A OD1  1 
ATOM   550  O OD2  . ASP A 1 107 ? -3.10353  -27.22612 -33.77696 1.000 46.44895  ? 684 ASP A OD2  1 
ATOM   551  N N    . GLU A 1 108 ? 0.86438   -24.99324 -31.19691 1.000 46.65573  ? 685 GLU A N    1 
ATOM   552  C CA   . GLU A 1 108 ? 1.85907   -23.95679 -30.97970 1.000 40.37631  ? 685 GLU A CA   1 
ATOM   553  C C    . GLU A 1 108 ? 1.67553   -23.44212 -29.56950 1.000 44.73764  ? 685 GLU A C    1 
ATOM   554  O O    . GLU A 1 108 ? 0.59877   -23.57998 -28.97143 1.000 43.57530  ? 685 GLU A O    1 
ATOM   555  C CB   . GLU A 1 108 ? 1.72576   -22.83286 -32.01397 1.000 37.46326  ? 685 GLU A CB   1 
ATOM   556  C CG   . GLU A 1 108 ? 1.66598   -23.34372 -33.43472 1.000 43.54434  ? 685 GLU A CG   1 
ATOM   557  C CD   . GLU A 1 108 ? 1.64903   -22.24850 -34.49363 1.000 55.90059  ? 685 GLU A CD   1 
ATOM   558  O OE1  . GLU A 1 108 ? 1.33208   -21.08392 -34.16025 1.000 51.72913  ? 685 GLU A OE1  1 
ATOM   559  O OE2  . GLU A 1 108 ? 1.95866   -22.56512 -35.67089 1.000 56.86909  ? 685 GLU A OE2  1 
ATOM   560  N N    . ILE A 1 109 ? 2.73755   -22.84865 -29.03954 1.000 40.65489  ? 686 ILE A N    1 
ATOM   561  C CA   . ILE A 1 109 ? 2.75863   -22.39043 -27.65552 1.000 37.35478  ? 686 ILE A CA   1 
ATOM   562  C C    . ILE A 1 109 ? 3.31020   -20.97739 -27.61756 1.000 41.08731  ? 686 ILE A C    1 
ATOM   563  O O    . ILE A 1 109 ? 4.34529   -20.69822 -28.22754 1.000 45.03852  ? 686 ILE A O    1 
ATOM   564  C CB   . ILE A 1 109 ? 3.59999   -23.32111 -26.76269 1.000 41.30204  ? 686 ILE A CB   1 
ATOM   565  C CG1  . ILE A 1 109 ? 2.96481   -24.70822 -26.67269 1.000 42.37586  ? 686 ILE A CG1  1 
ATOM   566  C CG2  . ILE A 1 109 ? 3.74227   -22.74454 -25.39337 1.000 43.45049  ? 686 ILE A CG2  1 
ATOM   567  C CD1  . ILE A 1 109 ? 3.72063   -25.65905 -25.74301 1.000 45.46973  ? 686 ILE A CD1  1 
ATOM   568  N N    . ILE A 1 110 ? 2.61811   -20.08385 -26.91627 1.000 45.45078  ? 687 ILE A N    1 
ATOM   569  C CA   . ILE A 1 110 ? 3.16565   -18.78657 -26.52834 1.000 38.31175  ? 687 ILE A CA   1 
ATOM   570  C C    . ILE A 1 110 ? 3.45427   -18.83308 -25.03312 1.000 44.30272  ? 687 ILE A C    1 
ATOM   571  O O    . ILE A 1 110 ? 2.53237   -18.97416 -24.21588 1.000 46.96250  ? 687 ILE A O    1 
ATOM   572  C CB   . ILE A 1 110 ? 2.21621   -17.63601 -26.87579 1.000 41.26920  ? 687 ILE A CB   1 
ATOM   573  C CG1  . ILE A 1 110 ? 2.03713   -17.55251 -28.38743 1.000 45.70413  ? 687 ILE A CG1  1 
ATOM   574  C CG2  . ILE A 1 110 ? 2.76955   -16.32007 -26.36235 1.000 47.85070  ? 687 ILE A CG2  1 
ATOM   575  C CD1  . ILE A 1 110 ? 0.82861   -16.76058 -28.80550 1.000 43.21539  ? 687 ILE A CD1  1 
ATOM   576  N N    . SER A 1 111 ? 4.73961   -18.72007 -24.67559 1.000 45.20350  ? 688 SER A N    1 
ATOM   577  C CA   . SER A 1 111 ? 5.21286   -18.87199 -23.30679 1.000 40.06532  ? 688 SER A CA   1 
ATOM   578  C C    . SER A 1 111 ? 6.35821   -17.90274 -23.02051 1.000 48.72159  ? 688 SER A C    1 
ATOM   579  O O    . SER A 1 111 ? 7.44756   -18.04326 -23.58678 1.000 46.20554  ? 688 SER A O    1 
ATOM   580  C CB   . SER A 1 111 ? 5.66917   -20.31564 -23.07150 1.000 42.21852  ? 688 SER A CB   1 
ATOM   581  O OG   . SER A 1 111 ? 5.96370   -20.54027 -21.69790 1.000 45.73952  ? 688 SER A OG   1 
ATOM   582  N N    . PRO A 1 112 ? 6.16380   -16.91170 -22.14575 1.000 49.37631  ? 689 PRO A N    1 
ATOM   583  C CA   . PRO A 1 112 ? 4.91154   -16.65651 -21.42900 1.000 45.64199  ? 689 PRO A CA   1 
ATOM   584  C C    . PRO A 1 112 ? 3.94393   -15.79071 -22.23074 1.000 49.67689  ? 689 PRO A C    1 
ATOM   585  O O    . PRO A 1 112 ? 4.37560   -14.95878 -23.03823 1.000 46.71445  ? 689 PRO A O    1 
ATOM   586  C CB   . PRO A 1 112 ? 5.37909   -15.92117 -20.17731 1.000 42.05193  ? 689 PRO A CB   1 
ATOM   587  C CG   . PRO A 1 112 ? 6.56566   -15.11643 -20.67852 1.000 48.26497  ? 689 PRO A CG   1 
ATOM   588  C CD   . PRO A 1 112 ? 7.24092   -16.00381 -21.71863 1.000 41.71921  ? 689 PRO A CD   1 
ATOM   589  N N    . CYS A 1 113 ? 2.63008   -15.98722 -22.00400 1.000 47.34235  ? 690 CYS A N    1 
ATOM   590  C CA   . CYS A 1 113 ? 1.60839   -15.20178 -22.67222 1.000 42.20945  ? 690 CYS A CA   1 
ATOM   591  C C    . CYS A 1 113 ? 1.16071   -14.04841 -21.79699 1.000 46.07999  ? 690 CYS A C    1 
ATOM   592  O O    . CYS A 1 113 ? 1.29768   -14.08472 -20.57310 1.000 51.64262  ? 690 CYS A O    1 
ATOM   593  C CB   . CYS A 1 113 ? 0.39963   -16.07371 -23.00906 1.000 54.53072  ? 690 CYS A CB   1 
ATOM   594  S SG   . CYS A 1 113 ? -0.58808  -16.54375 -21.56719 1.000 52.19486  ? 690 CYS A SG   1 
ATOM   595  N N    . PRO A 1 114 ? 0.58890   -13.01077 -22.39732 1.000 49.65909  ? 691 PRO A N    1 
ATOM   596  C CA   . PRO A 1 114 ? 0.01298   -11.93112 -21.59450 1.000 49.16082  ? 691 PRO A CA   1 
ATOM   597  C C    . PRO A 1 114 ? -1.11782  -12.43803 -20.70407 1.000 52.24226  ? 691 PRO A C    1 
ATOM   598  O O    . PRO A 1 114 ? -1.82118  -13.39970 -21.02369 1.000 53.62249  ? 691 PRO A O    1 
ATOM   599  C CB   . PRO A 1 114 ? -0.50202  -10.94017 -22.65164 1.000 45.24069  ? 691 PRO A CB   1 
ATOM   600  C CG   . PRO A 1 114 ? 0.25698   -11.27271 -23.91566 1.000 40.40475  ? 691 PRO A CG   1 
ATOM   601  C CD   . PRO A 1 114 ? 0.44958   -12.76530 -23.84495 1.000 49.18993  ? 691 PRO A CD   1 
ATOM   602  N N    . TRP A 1 115 ? -1.30406  -11.75747 -19.57711 1.000 50.61128  ? 692 TRP A N    1 
ATOM   603  C CA   . TRP A 1 115 ? -2.36140  -12.14631 -18.65899 1.000 53.29441  ? 692 TRP A CA   1 
ATOM   604  C C    . TRP A 1 115 ? -3.74187  -11.90109 -19.26732 1.000 64.12014  ? 692 TRP A C    1 
ATOM   605  O O    . TRP A 1 115 ? -4.62684  -12.76245 -19.18748 1.000 61.00323  ? 692 TRP A O    1 
ATOM   606  C CB   . TRP A 1 115 ? -2.19983  -11.39501 -17.34146 1.000 59.64579  ? 692 TRP A CB   1 
ATOM   607  C CG   . TRP A 1 115 ? -3.11486  -11.89819 -16.27166 1.000 70.31159  ? 692 TRP A CG   1 
ATOM   608  C CD1  . TRP A 1 115 ? -4.18888  -11.24823 -15.73353 1.000 62.16517  ? 692 TRP A CD1  1 
ATOM   609  C CD2  . TRP A 1 115 ? -3.04304  -13.16885 -15.61217 1.000 72.88742  ? 692 TRP A CD2  1 
ATOM   610  N NE1  . TRP A 1 115 ? -4.78307  -12.03413 -14.77799 1.000 68.49112  ? 692 TRP A NE1  1 
ATOM   611  C CE2  . TRP A 1 115 ? -4.10122  -13.21886 -14.68635 1.000 72.55982  ? 692 TRP A CE2  1 
ATOM   612  C CE3  . TRP A 1 115 ? -2.18302  -14.26457 -15.71049 1.000 64.63127  ? 692 TRP A CE3  1 
ATOM   613  C CZ2  . TRP A 1 115 ? -4.32217  -14.32250 -13.86950 1.000 74.45072  ? 692 TRP A CZ2  1 
ATOM   614  C CZ3  . TRP A 1 115 ? -2.40408  -15.35459 -14.90014 1.000 63.90657  ? 692 TRP A CZ3  1 
ATOM   615  C CH2  . TRP A 1 115 ? -3.46318  -15.37760 -13.99225 1.000 66.55132  ? 692 TRP A CH2  1 
ATOM   616  N N    . VAL A 1 116 ? -3.94702  -10.74105 -19.89197 1.000 60.22096  ? 693 VAL A N    1 
ATOM   617  C CA   . VAL A 1 116 ? -5.23791  -10.38500 -20.47373 1.000 59.96085  ? 693 VAL A CA   1 
ATOM   618  C C    . VAL A 1 116 ? -5.13628  -10.31960 -21.99030 1.000 60.32558  ? 693 VAL A C    1 
ATOM   619  O O    . VAL A 1 116 ? -4.27551  -9.62029  -22.53689 1.000 56.71614  ? 693 VAL A O    1 
ATOM   620  C CB   . VAL A 1 116 ? -5.76302  -9.04986  -19.93809 1.000 65.76015  ? 693 VAL A CB   1 
ATOM   621  C CG1  . VAL A 1 116 ? -7.24826  -8.95620  -20.25315 1.000 65.91826  ? 693 VAL A CG1  1 
ATOM   622  C CG2  . VAL A 1 116 ? -5.47672  -8.92518  -18.44121 1.000 67.44748  ? 693 VAL A CG2  1 
ATOM   623  N N    . VAL A 1 117 ? -6.05863  -11.00733 -22.66323 1.000 59.98105  ? 694 VAL A N    1 
ATOM   624  C CA   . VAL A 1 117 ? -6.14355  -10.97005 -24.11541 1.000 55.04067  ? 694 VAL A CA   1 
ATOM   625  C C    . VAL A 1 117 ? -6.64128  -9.60044  -24.55387 1.000 63.12484  ? 694 VAL A C    1 
ATOM   626  O O    . VAL A 1 117 ? -7.55590  -9.03311  -23.94056 1.000 58.99782  ? 694 VAL A O    1 
ATOM   627  C CB   . VAL A 1 117 ? -7.07833  -12.08537 -24.61183 1.000 57.53825  ? 694 VAL A CB   1 
ATOM   628  C CG1  . VAL A 1 117 ? -7.23644  -11.99838 -26.11160 1.000 58.00265  ? 694 VAL A CG1  1 
ATOM   629  C CG2  . VAL A 1 117 ? -6.53204  -13.44187 -24.22060 1.000 45.78475  ? 694 VAL A CG2  1 
ATOM   630  N N    . THR A 1 118 ? -6.02741  -9.05061  -25.61532 1.000 59.49447  ? 695 THR A N    1 
ATOM   631  C CA   . THR A 1 118 ? -6.36450  -7.74714  -26.18601 1.000 58.01148  ? 695 THR A CA   1 
ATOM   632  C C    . THR A 1 118 ? -6.65170  -7.87446  -27.67755 1.000 57.20030  ? 695 THR A C    1 
ATOM   633  O O    . THR A 1 118 ? -6.05896  -8.71620  -28.35741 1.000 55.06651  ? 695 THR A O    1 
ATOM   634  C CB   . THR A 1 118 ? -5.24281  -6.70604  -26.00454 1.000 58.25068  ? 695 THR A CB   1 
ATOM   635  O OG1  . THR A 1 118 ? -4.14384  -7.00681  -26.88311 1.000 62.51520  ? 695 THR A OG1  1 
ATOM   636  C CG2  . THR A 1 118 ? -4.73598  -6.67791  -24.55974 1.000 65.69430  ? 695 THR A CG2  1 
ATOM   637  N N    . PRO A 1 119 ? -7.53127  -7.02893  -28.21988 1.000 60.03389  ? 696 PRO A N    1 
ATOM   638  C CA   . PRO A 1 119 ? -7.72699  -7.01712  -29.67965 1.000 61.03848  ? 696 PRO A CA   1 
ATOM   639  C C    . PRO A 1 119 ? -6.41766  -6.98088  -30.44838 1.000 60.85202  ? 696 PRO A C    1 
ATOM   640  O O    . PRO A 1 119 ? -6.29100  -7.68978  -31.45410 1.000 62.40809  ? 696 PRO A O    1 
ATOM   641  C CB   . PRO A 1 119 ? -8.55825  -5.73953  -29.91510 1.000 53.13718  ? 696 PRO A CB   1 
ATOM   642  C CG   . PRO A 1 119 ? -9.19785  -5.44197  -28.60421 1.000 54.63513  ? 696 PRO A CG   1 
ATOM   643  C CD   . PRO A 1 119 ? -8.24040  -5.92076  -27.55226 1.000 61.77955  ? 696 PRO A CD   1 
ATOM   644  N N    . GLU A 1 120 ? -5.44255  -6.17163  -30.00873 1.000 56.15187  ? 697 GLU A N    1 
ATOM   645  C CA   . GLU A 1 120 ? -4.14389  -6.13592  -30.68563 1.000 57.89036  ? 697 GLU A CA   1 
ATOM   646  C C    . GLU A 1 120 ? -3.48387  -7.50574  -30.69909 1.000 56.46707  ? 697 GLU A C    1 
ATOM   647  O O    . GLU A 1 120 ? -2.91212  -7.91231  -31.71633 1.000 63.06068  ? 697 GLU A O    1 
ATOM   648  C CB   . GLU A 1 120 ? -3.20161  -5.12742  -30.02240 1.000 59.39653  ? 697 GLU A CB   1 
ATOM   649  C CG   . GLU A 1 120 ? -3.52867  -3.68099  -30.29535 1.000 67.82486  ? 697 GLU A CG   1 
ATOM   650  C CD   . GLU A 1 120 ? -4.74902  -3.22633  -29.53288 1.000 77.20169  ? 697 GLU A CD   1 
ATOM   651  O OE1  . GLU A 1 120 ? -5.30484  -4.06164  -28.77874 1.000 68.02341  ? 697 GLU A OE1  1 
ATOM   652  O OE2  . GLU A 1 120 ? -5.14913  -2.04431  -29.68792 1.000 80.11439  ? 697 GLU A OE2  1 
ATOM   653  N N    . PHE A 1 121 ? -3.51637  -8.21305  -29.56609 1.000 49.09787  ? 698 PHE A N    1 
ATOM   654  C CA   . PHE A 1 121 ? -2.95324  -9.55933  -29.50939 1.000 46.97585  ? 698 PHE A CA   1 
ATOM   655  C C    . PHE A 1 121 ? -3.56182  -10.44567 -30.58311 1.000 56.73590  ? 698 PHE A C    1 
ATOM   656  O O    . PHE A 1 121 ? -2.84487  -11.15612 -31.29502 1.000 54.32116  ? 698 PHE A O    1 
ATOM   657  C CB   . PHE A 1 121 ? -3.18683  -10.14141 -28.11465 1.000 50.21801  ? 698 PHE A CB   1 
ATOM   658  C CG   . PHE A 1 121 ? -2.57313  -11.50450 -27.88034 1.000 45.96581  ? 698 PHE A CG   1 
ATOM   659  C CD1  . PHE A 1 121 ? -1.21513  -11.64200 -27.63095 1.000 52.78189  ? 698 PHE A CD1  1 
ATOM   660  C CD2  . PHE A 1 121 ? -3.36981  -12.63241 -27.82859 1.000 46.71371  ? 698 PHE A CD2  1 
ATOM   661  C CE1  . PHE A 1 121 ? -0.66283  -12.89508 -27.37743 1.000 40.35556  ? 698 PHE A CE1  1 
ATOM   662  C CE2  . PHE A 1 121 ? -2.82512  -13.88532 -27.59047 1.000 58.81926  ? 698 PHE A CE2  1 
ATOM   663  C CZ   . PHE A 1 121 ? -1.47028  -14.01779 -27.36364 1.000 51.68145  ? 698 PHE A CZ   1 
ATOM   664  N N    . LEU A 1 122 ? -4.88828  -10.38480 -30.73404 1.000 54.46460  ? 699 LEU A N    1 
ATOM   665  C CA   . LEU A 1 122 ? -5.58933  -11.20973 -31.70993 1.000 51.89740  ? 699 LEU A CA   1 
ATOM   666  C C    . LEU A 1 122 ? -5.08307  -10.96160 -33.12797 1.000 57.00179  ? 699 LEU A C    1 
ATOM   667  O O    . LEU A 1 122 ? -4.87825  -11.90262 -33.90605 1.000 48.99021  ? 699 LEU A O    1 
ATOM   668  C CB   . LEU A 1 122 ? -7.09102  -10.92693 -31.61127 1.000 63.77810  ? 699 LEU A CB   1 
ATOM   669  C CG   . LEU A 1 122 ? -7.90901  -11.91994 -30.79173 1.000 56.40307  ? 699 LEU A CG   1 
ATOM   670  C CD1  . LEU A 1 122 ? -7.74433  -13.26283 -31.43917 1.000 68.12509  ? 699 LEU A CD1  1 
ATOM   671  C CD2  . LEU A 1 122 ? -7.48181  -12.01695 -29.35340 1.000 46.88614  ? 699 LEU A CD2  1 
ATOM   672  N N    . GLU A 1 123 ? -4.91072  -9.69610  -33.49871 1.000 57.23765  ? 700 GLU A N    1 
ATOM   673  C CA   . GLU A 1 123 ? -4.36722  -9.40895  -34.81759 1.000 59.82134  ? 700 GLU A CA   1 
ATOM   674  C C    . GLU A 1 123 ? -2.94067  -9.92149  -34.93277 1.000 67.61521  ? 700 GLU A C    1 
ATOM   675  O O    . GLU A 1 123 ? -2.61672  -10.68875 -35.84802 1.000 70.24431  ? 700 GLU A O    1 
ATOM   676  C CB   . GLU A 1 123 ? -4.42127  -7.91097  -35.10309 1.000 63.66245  ? 700 GLU A CB   1 
ATOM   677  C CG   . GLU A 1 123 ? -4.17721  -7.55751  -36.56496 1.000 83.97434  ? 700 GLU A CG   1 
ATOM   678  C CD   . GLU A 1 123 ? -5.31778  -7.99074  -37.49167 1.000 98.74237  ? 700 GLU A CD   1 
ATOM   679  O OE1  . GLU A 1 123 ? -6.48205  -7.59702  -37.24271 1.000 92.45736  ? 700 GLU A OE1  1 
ATOM   680  O OE2  . GLU A 1 123 ? -5.04772  -8.72625  -38.47246 1.000 102.31034 ? 700 GLU A OE2  1 
ATOM   681  N N    . LYS A 1 124 ? -2.07811  -9.52486  -33.99032 1.000 65.29424  ? 701 LYS A N    1 
ATOM   682  C CA   . LYS A 1 124 ? -0.65367  -9.83612  -34.09119 1.000 54.86116  ? 701 LYS A CA   1 
ATOM   683  C C    . LYS A 1 124 ? -0.40461  -11.31746 -34.35869 1.000 59.70193  ? 701 LYS A C    1 
ATOM   684  O O    . LYS A 1 124 ? 0.52441   -11.66054 -35.09770 1.000 60.48289  ? 701 LYS A O    1 
ATOM   685  C CB   . LYS A 1 124 ? 0.07484   -9.39943  -32.81138 1.000 55.43477  ? 701 LYS A CB   1 
ATOM   686  C CG   . LYS A 1 124 ? 1.58597   -9.65231  -32.81651 1.000 57.78076  ? 701 LYS A CG   1 
ATOM   687  C CD   . LYS A 1 124 ? 2.15619   -9.71865  -31.40087 1.000 56.21780  ? 701 LYS A CD   1 
ATOM   688  C CE   . LYS A 1 124 ? 3.68074   -9.78891  -31.41807 1.000 60.60724  ? 701 LYS A CE   1 
ATOM   689  N NZ   . LYS A 1 124 ? 4.25179   -9.98089  -30.04825 1.000 64.66934  ? 701 LYS A NZ   1 
ATOM   690  N N    . TYR A 1 125 ? -1.21045  -12.21018 -33.77543 1.000 53.62695  ? 702 TYR A N    1 
ATOM   691  C CA   . TYR A 1 125 ? -1.03930  -13.64630 -33.98426 1.000 54.50963  ? 702 TYR A CA   1 
ATOM   692  C C    . TYR A 1 125 ? -2.10156  -14.25596 -34.90955 1.000 52.86487  ? 702 TYR A C    1 
ATOM   693  O O    . TYR A 1 125 ? -2.18207  -15.48618 -35.01481 1.000 46.04425  ? 702 TYR A O    1 
ATOM   694  C CB   . TYR A 1 125 ? -1.00912  -14.38470 -32.63286 1.000 56.65341  ? 702 TYR A CB   1 
ATOM   695  C CG   . TYR A 1 125 ? 0.18588   -14.03203 -31.72777 1.000 45.04040  ? 702 TYR A CG   1 
ATOM   696  C CD1  . TYR A 1 125 ? 1.42205   -14.66431 -31.86474 1.000 54.97573  ? 702 TYR A CD1  1 
ATOM   697  C CD2  . TYR A 1 125 ? 0.06009   -13.06409 -30.73273 1.000 49.91224  ? 702 TYR A CD2  1 
ATOM   698  C CE1  . TYR A 1 125 ? 2.50546   -14.32228 -31.03243 1.000 46.72939  ? 702 TYR A CE1  1 
ATOM   699  C CE2  . TYR A 1 125 ? 1.11565   -12.72278 -29.92009 1.000 50.87390  ? 702 TYR A CE2  1 
ATOM   700  C CZ   . TYR A 1 125 ? 2.33033   -13.34676 -30.06200 1.000 51.85090  ? 702 TYR A CZ   1 
ATOM   701  O OH   . TYR A 1 125 ? 3.34431   -12.96949 -29.21283 1.000 66.18354  ? 702 TYR A OH   1 
ATOM   702  N N    . LYS A 1 126 ? -2.92008  -13.42845 -35.57750 1.000 52.92927  ? 703 LYS A N    1 
ATOM   703  C CA   . LYS A 1 126 ? -3.89294  -13.89977 -36.56681 1.000 57.86277  ? 703 LYS A CA   1 
ATOM   704  C C    . LYS A 1 126 ? -4.86212  -14.92732 -35.97573 1.000 54.12695  ? 703 LYS A C    1 
ATOM   705  O O    . LYS A 1 126 ? -5.20775  -15.92184 -36.61897 1.000 53.16966  ? 703 LYS A O    1 
ATOM   706  C CB   . LYS A 1 126 ? -3.17510  -14.47402 -37.79005 1.000 64.50466  ? 703 LYS A CB   1 
ATOM   707  C CG   . LYS A 1 126 ? -3.90934  -14.26380 -39.10719 1.000 74.94567  ? 703 LYS A CG   1 
ATOM   708  C CD   . LYS A 1 126 ? -4.28797  -15.59718 -39.78798 1.000 85.87637  ? 703 LYS A CD   1 
ATOM   709  C CE   . LYS A 1 126 ? -5.65019  -16.13716 -39.29658 1.000 78.10767  ? 703 LYS A CE   1 
ATOM   710  N NZ   . LYS A 1 126 ? -6.00988  -17.47927 -39.86283 1.000 72.09920  ? 703 LYS A NZ   1 
ATOM   711  N N    . ILE A 1 127 ? -5.32068  -14.67665 -34.75356 1.000 44.07304  ? 704 ILE A N    1 
ATOM   712  C CA   . ILE A 1 127 ? -6.15264  -15.61834 -34.01405 1.000 47.06728  ? 704 ILE A CA   1 
ATOM   713  C C    . ILE A 1 127 ? -7.61443  -15.42510 -34.41055 1.000 50.07399  ? 704 ILE A C    1 
ATOM   714  O O    . ILE A 1 127 ? -8.10622  -14.29508 -34.49470 1.000 48.31660  ? 704 ILE A O    1 
ATOM   715  C CB   . ILE A 1 127 ? -5.94109  -15.43783 -32.50133 1.000 45.76786  ? 704 ILE A CB   1 
ATOM   716  C CG1  . ILE A 1 127 ? -4.54119  -15.92335 -32.13164 1.000 41.68531  ? 704 ILE A CG1  1 
ATOM   717  C CG2  . ILE A 1 127 ? -6.99462  -16.18578 -31.66962 1.000 39.92508  ? 704 ILE A CG2  1 
ATOM   718  C CD1  . ILE A 1 127 ? -4.07797  -15.49414 -30.77675 1.000 31.47639  ? 704 ILE A CD1  1 
ATOM   719  N N    . ASP A 1 128 ? -8.30832  -16.52328 -34.69373 1.000 44.47502  ? 705 ASP A N    1 
ATOM   720  C CA   . ASP A 1 128 ? -9.69814  -16.38324 -35.12733 1.000 45.83635  ? 705 ASP A CA   1 
ATOM   721  C C    . ASP A 1 128 ? -10.68799 -16.54376 -33.98628 1.000 44.53290  ? 705 ASP A C    1 
ATOM   722  O O    . ASP A 1 128 ? -11.72961 -15.87674 -33.98282 1.000 51.60753  ? 705 ASP A O    1 
ATOM   723  C CB   . ASP A 1 128 ? -10.03236 -17.39206 -36.22956 1.000 42.51209  ? 705 ASP A CB   1 
ATOM   724  C CG   . ASP A 1 128 ? -9.27603  -17.11725 -37.52067 1.000 49.91889  ? 705 ASP A CG   1 
ATOM   725  O OD1  . ASP A 1 128 ? -9.44632  -16.01662 -38.09607 1.000 60.07572  ? 705 ASP A OD1  1 
ATOM   726  O OD2  . ASP A 1 128 ? -8.50095  -17.99997 -37.95762 1.000 52.20661  ? 705 ASP A OD2  1 
ATOM   727  N N    . TYR A 1 129 ? -10.38688 -17.39418 -33.00948 1.000 42.20379  ? 706 TYR A N    1 
ATOM   728  C CA   . TYR A 1 129 ? -11.25921 -17.58481 -31.86328 1.000 41.93843  ? 706 TYR A CA   1 
ATOM   729  C C    . TYR A 1 129 ? -10.42417 -17.82857 -30.61572 1.000 51.16419  ? 706 TYR A C    1 
ATOM   730  O O    . TYR A 1 129 ? -9.31702  -18.38612 -30.67250 1.000 47.77567  ? 706 TYR A O    1 
ATOM   731  C CB   . TYR A 1 129 ? -12.22968 -18.75849 -32.07398 1.000 44.63548  ? 706 TYR A CB   1 
ATOM   732  C CG   . TYR A 1 129 ? -13.08766 -18.63216 -33.31326 1.000 41.65910  ? 706 TYR A CG   1 
ATOM   733  C CD1  . TYR A 1 129 ? -12.63459 -19.09138 -34.54115 1.000 53.06266  ? 706 TYR A CD1  1 
ATOM   734  C CD2  . TYR A 1 129 ? -14.35194 -18.06300 -33.25499 1.000 46.08431  ? 706 TYR A CD2  1 
ATOM   735  C CE1  . TYR A 1 129 ? -13.41198 -18.98570 -35.67315 1.000 46.26672  ? 706 TYR A CE1  1 
ATOM   736  C CE2  . TYR A 1 129 ? -15.13579 -17.95951 -34.37795 1.000 44.59311  ? 706 TYR A CE2  1 
ATOM   737  C CZ   . TYR A 1 129 ? -14.65530 -18.42064 -35.58059 1.000 42.38782  ? 706 TYR A CZ   1 
ATOM   738  O OH   . TYR A 1 129 ? -15.41459 -18.30611 -36.71052 1.000 44.62256  ? 706 TYR A OH   1 
ATOM   739  N N    . VAL A 1 130 ? -10.96873 -17.39625 -29.48422 1.000 50.70268  ? 707 VAL A N    1 
ATOM   740  C CA   . VAL A 1 130 ? -10.40154 -17.66903 -28.17254 1.000 43.98401  ? 707 VAL A CA   1 
ATOM   741  C C    . VAL A 1 130 ? -11.27730 -18.70948 -27.49185 1.000 52.14602  ? 707 VAL A C    1 
ATOM   742  O O    . VAL A 1 130 ? -12.51406 -18.61780 -27.53332 1.000 52.99008  ? 707 VAL A O    1 
ATOM   743  C CB   . VAL A 1 130 ? -10.29726 -16.37209 -27.35469 1.000 48.10833  ? 707 VAL A CB   1 
ATOM   744  C CG1  . VAL A 1 130 ? -9.94797  -16.65808 -25.95012 1.000 47.88350  ? 707 VAL A CG1  1 
ATOM   745  C CG2  . VAL A 1 130 ? -9.27843  -15.43444 -27.97823 1.000 44.41379  ? 707 VAL A CG2  1 
ATOM   746  N N    . ALA A 1 131 ? -10.63948 -19.72016 -26.89970 1.000 47.91225  ? 708 ALA A N    1 
ATOM   747  C CA   . ALA A 1 131 ? -11.33371 -20.84225 -26.27737 1.000 51.59319  ? 708 ALA A CA   1 
ATOM   748  C C    . ALA A 1 131 ? -11.02633 -20.84473 -24.78995 1.000 54.82693  ? 708 ALA A C    1 
ATOM   749  O O    . ALA A 1 131 ? -9.87614  -21.05024 -24.39728 1.000 67.16415  ? 708 ALA A O    1 
ATOM   750  C CB   . ALA A 1 131 ? -10.92389 -22.16851 -26.91309 1.000 50.73648  ? 708 ALA A CB   1 
ATOM   751  N N    . HIS A 1 132 ? -12.05084 -20.60859 -23.97130 1.000 60.14158  ? 709 HIS A N    1 
ATOM   752  C CA   . HIS A 1 132 ? -11.95039 -20.60135 -22.51909 1.000 64.20670  ? 709 HIS A CA   1 
ATOM   753  C C    . HIS A 1 132 ? -13.28117 -21.09135 -21.96640 1.000 68.77113  ? 709 HIS A C    1 
ATOM   754  O O    . HIS A 1 132 ? -14.28672 -21.14003 -22.67551 1.000 70.02500  ? 709 HIS A O    1 
ATOM   755  C CB   . HIS A 1 132 ? -11.61061 -19.19998 -21.97741 1.000 68.77299  ? 709 HIS A CB   1 
ATOM   756  C CG   . HIS A 1 132 ? -10.87912 -19.20404 -20.66460 1.000 85.08262  ? 709 HIS A CG   1 
ATOM   757  N ND1  . HIS A 1 132 ? -9.97527  -18.22182 -20.31620 1.000 92.55630  ? 709 HIS A ND1  1 
ATOM   758  C CD2  . HIS A 1 132 ? -10.91865 -20.06229 -19.61549 1.000 83.84332  ? 709 HIS A CD2  1 
ATOM   759  C CE1  . HIS A 1 132 ? -9.48968  -18.47511 -19.11357 1.000 82.11511  ? 709 HIS A CE1  1 
ATOM   760  N NE2  . HIS A 1 132 ? -10.04568 -19.58614 -18.66545 1.000 85.55089  ? 709 HIS A NE2  1 
ATOM   761  N N    . ASP A 1 133 ? -13.27788 -21.47095 -20.69810 1.000 72.08884  ? 710 ASP A N    1 
ATOM   762  C CA   . ASP A 1 133 ? -14.51133 -21.87478 -20.05299 1.000 82.94743  ? 710 ASP A CA   1 
ATOM   763  C C    . ASP A 1 133 ? -15.35063 -20.64933 -19.67786 1.000 87.61647  ? 710 ASP A C    1 
ATOM   764  O O    . ASP A 1 133 ? -14.87916 -19.50796 -19.68933 1.000 79.29508  ? 710 ASP A O    1 
ATOM   765  C CB   . ASP A 1 133 ? -14.20672 -22.72689 -18.82317 1.000 87.73561  ? 710 ASP A CB   1 
ATOM   766  C CG   . ASP A 1 133 ? -12.96931 -22.25712 -18.07913 1.000 88.93474  ? 710 ASP A CG   1 
ATOM   767  O OD1  . ASP A 1 133 ? -13.09241 -21.38573 -17.19452 1.000 92.30847  ? 710 ASP A OD1  1 
ATOM   768  O OD2  . ASP A 1 133 ? -11.86647 -22.75613 -18.38597 1.000 93.77683  ? 710 ASP A OD2  1 
ATOM   769  N N    . ASP A 1 134 ? -16.61978 -20.90055 -19.35316 1.000 110.07397 ? 711 ASP A N    1 
ATOM   770  C CA   . ASP A 1 134 ? -17.52345 -19.85109 -18.87447 1.000 116.50502 ? 711 ASP A CA   1 
ATOM   771  C C    . ASP A 1 134 ? -18.13008 -20.21882 -17.51488 1.000 114.87335 ? 711 ASP A C    1 
ATOM   772  O O    . ASP A 1 134 ? -18.12605 -19.42412 -16.57150 1.000 117.15945 ? 711 ASP A O    1 
ATOM   773  C CB   . ASP A 1 134 ? -18.63655 -19.59548 -19.89695 1.000 115.20082 ? 711 ASP A CB   1 
ATOM   774  C CG   . ASP A 1 134 ? -19.27651 -18.22456 -19.73941 1.000 114.87013 ? 711 ASP A CG   1 
ATOM   775  O OD1  . ASP A 1 134 ? -18.87286 -17.29343 -20.46894 1.000 110.18840 ? 711 ASP A OD1  1 
ATOM   776  O OD2  . ASP A 1 134 ? -20.18016 -18.07546 -18.88216 1.000 128.77107 ? 711 ASP A OD2  1 
ATOM   777  N N    . ASP A 1 144 ? -17.80384 -9.75366  -16.75842 1.000 106.80867 ? 739 ASP A N    1 
ATOM   778  C CA   . ASP A 1 144 ? -17.38991 -10.75763 -17.73071 1.000 97.65029  ? 739 ASP A CA   1 
ATOM   779  C C    . ASP A 1 144 ? -16.28091 -10.18848 -18.61026 1.000 93.19258  ? 739 ASP A C    1 
ATOM   780  O O    . ASP A 1 144 ? -16.52062 -9.31789  -19.44584 1.000 92.17554  ? 739 ASP A O    1 
ATOM   781  C CB   . ASP A 1 144 ? -18.58315 -11.21737 -18.57938 1.000 96.32874  ? 739 ASP A CB   1 
ATOM   782  C CG   . ASP A 1 144 ? -18.20244 -12.28612 -19.61664 1.000 100.04467 ? 739 ASP A CG   1 
ATOM   783  O OD1  . ASP A 1 144 ? -17.08414 -12.84356 -19.52893 1.000 99.77597  ? 739 ASP A OD1  1 
ATOM   784  O OD2  . ASP A 1 144 ? -19.02094 -12.56620 -20.52858 1.000 96.62524  ? 739 ASP A OD2  1 
ATOM   785  N N    . ILE A 1 145 ? -15.05691 -10.68416 -18.41134 1.000 97.72066  ? 740 ILE A N    1 
ATOM   786  C CA   . ILE A 1 145 ? -13.90972 -10.15785 -19.14297 1.000 95.75459  ? 740 ILE A CA   1 
ATOM   787  C C    . ILE A 1 145 ? -13.97453 -10.51980 -20.61746 1.000 92.57211  ? 740 ILE A C    1 
ATOM   788  O O    . ILE A 1 145 ? -13.34791 -9.85116  -21.44499 1.000 93.70801  ? 740 ILE A O    1 
ATOM   789  C CB   . ILE A 1 145 ? -12.59304 -10.65926 -18.51320 1.000 97.40512  ? 740 ILE A CB   1 
ATOM   790  N N    . TYR A 1 146 ? -14.73462 -11.55350 -20.96896 1.000 84.04100  ? 741 TYR A N    1 
ATOM   791  C CA   . TYR A 1 146 ? -14.82337 -12.05534 -22.32895 1.000 83.11116  ? 741 TYR A CA   1 
ATOM   792  C C    . TYR A 1 146 ? -16.10766 -11.62419 -23.03379 1.000 72.02556  ? 741 TYR A C    1 
ATOM   793  O O    . TYR A 1 146 ? -16.43090 -12.15808 -24.09575 1.000 67.12066  ? 741 TYR A O    1 
ATOM   794  C CB   . TYR A 1 146 ? -14.69224 -13.58054 -22.31566 1.000 87.86990  ? 741 TYR A CB   1 
ATOM   795  C CG   . TYR A 1 146 ? -13.32342 -14.06246 -21.83761 1.000 93.23907  ? 741 TYR A CG   1 
ATOM   796  C CD1  . TYR A 1 146 ? -12.16927 -13.35175 -22.15383 1.000 93.46283  ? 741 TYR A CD1  1 
ATOM   797  C CD2  . TYR A 1 146 ? -13.18529 -15.21940 -21.06627 1.000 94.51188  ? 741 TYR A CD2  1 
ATOM   798  C CE1  . TYR A 1 146 ? -10.90723 -13.77917 -21.72689 1.000 97.88820  ? 741 TYR A CE1  1 
ATOM   799  C CE2  . TYR A 1 146 ? -11.92472 -15.65470 -20.62934 1.000 89.52013  ? 741 TYR A CE2  1 
ATOM   800  C CZ   . TYR A 1 146 ? -10.78581 -14.92811 -20.96700 1.000 97.86278  ? 741 TYR A CZ   1 
ATOM   801  O OH   . TYR A 1 146 ? -9.51974  -15.33013 -20.55285 1.000 94.89569  ? 741 TYR A OH   1 
ATOM   802  N N    . ALA A 1 147 ? -16.84305 -10.66595 -22.46803 1.000 75.35476  ? 742 ALA A N    1 
ATOM   803  C CA   . ALA A 1 147 ? -17.98634 -10.10073 -23.17447 1.000 66.96509  ? 742 ALA A CA   1 
ATOM   804  C C    . ALA A 1 147 ? -17.55852 -9.50209  -24.50841 1.000 67.12530  ? 742 ALA A C    1 
ATOM   805  O O    . ALA A 1 147 ? -18.19587 -9.74028  -25.54139 1.000 60.45573  ? 742 ALA A O    1 
ATOM   806  C CB   . ALA A 1 147 ? -18.67756 -9.04997  -22.30745 1.000 73.38346  ? 742 ALA A CB   1 
ATOM   807  N N    . TRP A 1 148 ? -16.46582 -8.73313  -24.51275 1.000 66.32845  ? 743 TRP A N    1 
ATOM   808  C CA   . TRP A 1 148 ? -16.03857 -8.10656  -25.75589 1.000 63.88401  ? 743 TRP A CA   1 
ATOM   809  C C    . TRP A 1 148 ? -15.69279 -9.14570  -26.81161 1.000 59.12876  ? 743 TRP A C    1 
ATOM   810  O O    . TRP A 1 148 ? -15.89304 -8.90825  -28.00915 1.000 62.01954  ? 743 TRP A O    1 
ATOM   811  C CB   . TRP A 1 148 ? -14.85982 -7.16914  -25.49814 1.000 68.62995  ? 743 TRP A CB   1 
ATOM   812  C CG   . TRP A 1 148 ? -13.54733 -7.82233  -25.15531 1.000 71.22810  ? 743 TRP A CG   1 
ATOM   813  C CD1  . TRP A 1 148 ? -13.03778 -8.05544  -23.89954 1.000 80.38610  ? 743 TRP A CD1  1 
ATOM   814  C CD2  . TRP A 1 148 ? -12.55533 -8.28532  -26.07930 1.000 70.27101  ? 743 TRP A CD2  1 
ATOM   815  N NE1  . TRP A 1 148 ? -11.78628 -8.63599  -23.99113 1.000 85.32536  ? 743 TRP A NE1  1 
ATOM   816  C CE2  . TRP A 1 148 ? -11.47216 -8.79307  -25.31709 1.000 80.45452  ? 743 TRP A CE2  1 
ATOM   817  C CE3  . TRP A 1 148 ? -12.47597 -8.32414  -27.47658 1.000 65.54024  ? 743 TRP A CE3  1 
ATOM   818  C CZ2  . TRP A 1 148 ? -10.33025 -9.33399  -25.91075 1.000 75.11595  ? 743 TRP A CZ2  1 
ATOM   819  C CZ3  . TRP A 1 148 ? -11.34225 -8.86134  -28.06139 1.000 74.39147  ? 743 TRP A CZ3  1 
ATOM   820  C CH2  . TRP A 1 148 ? -10.28172 -9.35718  -27.27940 1.000 70.92685  ? 743 TRP A CH2  1 
ATOM   821  N N    . LEU A 1 149 ? -15.22266 -10.31937 -26.39569 1.000 59.42794  ? 744 LEU A N    1 
ATOM   822  C CA   . LEU A 1 149 ? -14.98590 -11.39103 -27.35822 1.000 55.30261  ? 744 LEU A CA   1 
ATOM   823  C C    . LEU A 1 149 ? -16.30238 -11.92382 -27.92076 1.000 51.29007  ? 744 LEU A C    1 
ATOM   824  O O    . LEU A 1 149 ? -16.44000 -12.11108 -29.13480 1.000 52.75267  ? 744 LEU A O    1 
ATOM   825  C CB   . LEU A 1 149 ? -14.16785 -12.51172 -26.70531 1.000 57.88026  ? 744 LEU A CB   1 
ATOM   826  C CG   . LEU A 1 149 ? -12.73343 -12.09364 -26.38287 1.000 65.11214  ? 744 LEU A CG   1 
ATOM   827  C CD1  . LEU A 1 149 ? -12.08540 -12.99885 -25.34836 1.000 69.32199  ? 744 LEU A CD1  1 
ATOM   828  C CD2  . LEU A 1 149 ? -11.92381 -12.10014 -27.64750 1.000 61.28878  ? 744 LEU A CD2  1 
ATOM   829  N N    . LYS A 1 150 ? -17.28134 -12.19334 -27.05816 1.000 51.11040  ? 745 LYS A N    1 
ATOM   830  C CA   . LYS A 1 150 ? -18.58542 -12.64890 -27.55346 1.000 47.19702  ? 745 LYS A CA   1 
ATOM   831  C C    . LYS A 1 150 ? -19.20345 -11.62263 -28.49766 1.000 45.22209  ? 745 LYS A C    1 
ATOM   832  O O    . LYS A 1 150 ? -19.71599 -11.96991 -29.56937 1.000 45.20406  ? 745 LYS A O    1 
ATOM   833  C CB   . LYS A 1 150 ? -19.52973 -12.92952 -26.38491 1.000 49.71731  ? 745 LYS A CB   1 
ATOM   834  C CG   . LYS A 1 150 ? -19.15592 -14.12980 -25.53154 1.000 53.32495  ? 745 LYS A CG   1 
ATOM   835  C CD   . LYS A 1 150 ? -20.14062 -14.27981 -24.38069 1.000 55.22260  ? 745 LYS A CD   1 
ATOM   836  C CE   . LYS A 1 150 ? -19.54605 -15.05657 -23.22347 1.000 59.28401  ? 745 LYS A CE   1 
ATOM   837  N NZ   . LYS A 1 150 ? -20.08644 -14.53928 -21.92881 1.000 81.94782  ? 745 LYS A NZ   1 
ATOM   838  N N    . ARG A 1 151 ? -19.15921 -10.34273 -28.12272 1.000 50.61615  ? 746 ARG A N    1 
ATOM   839  C CA   . ARG A 1 151 ? -19.68583 -9.30492  -29.00602 1.000 50.09365  ? 746 ARG A CA   1 
ATOM   840  C C    . ARG A 1 151 ? -19.02717 -9.33344  -30.38355 1.000 54.04793  ? 746 ARG A C    1 
ATOM   841  O O    . ARG A 1 151 ? -19.65841 -8.99003  -31.39133 1.000 47.48748  ? 746 ARG A O    1 
ATOM   842  C CB   . ARG A 1 151 ? -19.48904 -7.93843  -28.36524 1.000 56.22379  ? 746 ARG A CB   1 
ATOM   843  C CG   . ARG A 1 151 ? -20.42274 -6.88813  -28.88015 1.000 57.50454  ? 746 ARG A CG   1 
ATOM   844  C CD   . ARG A 1 151 ? -20.41752 -5.65848  -27.97144 1.000 81.96467  ? 746 ARG A CD   1 
ATOM   845  N NE   . ARG A 1 151 ? -19.97043 -5.92228  -26.60299 1.000 80.55664  ? 746 ARG A NE   1 
ATOM   846  C CZ   . ARG A 1 151 ? -18.87864 -5.39493  -26.05492 1.000 91.27426  ? 746 ARG A CZ   1 
ATOM   847  N NH1  . ARG A 1 151 ? -18.09295 -4.56910  -26.73286 1.000 95.51896  ? 746 ARG A NH1  1 
ATOM   848  N NH2  . ARG A 1 151 ? -18.56388 -5.70343  -24.79525 1.000 73.99655  ? 746 ARG A NH2  1 
ATOM   849  N N    . ALA A 1 152 ? -17.75867 -9.72689  -30.45298 1.000 53.71678  ? 747 ALA A N    1 
ATOM   850  C CA   . ALA A 1 152 ? -17.04112 -9.73371  -31.71652 1.000 53.51732  ? 747 ALA A CA   1 
ATOM   851  C C    . ALA A 1 152 ? -17.18122 -11.05704 -32.46028 1.000 51.94139  ? 747 ALA A C    1 
ATOM   852  O O    . ALA A 1 152 ? -16.68381 -11.16516 -33.58912 1.000 48.24182  ? 747 ALA A O    1 
ATOM   853  C CB   . ALA A 1 152 ? -15.55708 -9.40598  -31.48681 1.000 54.18294  ? 747 ALA A CB   1 
ATOM   854  N N    . GLY A 1 153 ? -17.87476 -12.03826 -31.87039 1.000 55.58269  ? 748 GLY A N    1 
ATOM   855  C CA   . GLY A 1 153 ? -18.07946 -13.33170 -32.49329 1.000 52.34426  ? 748 GLY A CA   1 
ATOM   856  C C    . GLY A 1 153 ? -16.89238 -14.24569 -32.37380 1.000 51.93559  ? 748 GLY A C    1 
ATOM   857  O O    . GLY A 1 153 ? -16.81275 -15.26224 -33.07024 1.000 54.23177  ? 748 GLY A O    1 
ATOM   858  N N    . LYS A 1 154 ? -15.95379 -13.90776 -31.50587 1.000 54.31183  ? 749 LYS A N    1 
ATOM   859  C CA   . LYS A 1 154 ? -14.68137 -14.60019 -31.45388 1.000 54.64978  ? 749 LYS A CA   1 
ATOM   860  C C    . LYS A 1 154 ? -14.53785 -15.43795 -30.18981 1.000 54.76742  ? 749 LYS A C    1 
ATOM   861  O O    . LYS A 1 154 ? -13.42817 -15.83940 -29.83937 1.000 55.84828  ? 749 LYS A O    1 
ATOM   862  C CB   . LYS A 1 154 ? -13.54448 -13.58217 -31.59103 1.000 58.02442  ? 749 LYS A CB   1 
ATOM   863  C CG   . LYS A 1 154 ? -13.41026 -13.03554 -33.02050 1.000 57.98864  ? 749 LYS A CG   1 
ATOM   864  C CD   . LYS A 1 154 ? -12.49912 -11.80693 -33.14069 1.000 62.26757  ? 749 LYS A CD   1 
ATOM   865  C CE   . LYS A 1 154 ? -12.41938 -11.36425 -34.61027 1.000 64.66713  ? 749 LYS A CE   1 
ATOM   866  N NZ   . LYS A 1 154 ? -11.69538 -10.07291 -34.82042 1.000 83.22830  ? 749 LYS A NZ   1 
ATOM   867  N N    . PHE A 1 155 ? -15.63152 -15.71811 -29.49473 1.000 54.92012  ? 750 PHE A N    1 
ATOM   868  C CA   . PHE A 1 155 ? -15.55471 -16.48531 -28.26186 1.000 54.57379  ? 750 PHE A CA   1 
ATOM   869  C C    . PHE A 1 155 ? -16.13079 -17.88063 -28.47537 1.000 58.24600  ? 750 PHE A C    1 
ATOM   870  O O    . PHE A 1 155 ? -17.29950 -18.02556 -28.84846 1.000 56.91301  ? 750 PHE A O    1 
ATOM   871  C CB   . PHE A 1 155 ? -16.27160 -15.78517 -27.11731 1.000 57.24610  ? 750 PHE A CB   1 
ATOM   872  C CG   . PHE A 1 155 ? -16.25213 -16.58351 -25.85869 1.000 64.17219  ? 750 PHE A CG   1 
ATOM   873  C CD1  . PHE A 1 155 ? -15.09139 -16.67713 -25.09771 1.000 72.13115  ? 750 PHE A CD1  1 
ATOM   874  C CD2  . PHE A 1 155 ? -17.36030 -17.30200 -25.46373 1.000 65.57658  ? 750 PHE A CD2  1 
ATOM   875  C CE1  . PHE A 1 155 ? -15.05977 -17.44131 -23.94755 1.000 70.45063  ? 750 PHE A CE1  1 
ATOM   876  C CE2  . PHE A 1 155 ? -17.33374 -18.06055 -24.31383 1.000 69.54744  ? 750 PHE A CE2  1 
ATOM   877  C CZ   . PHE A 1 155 ? -16.18739 -18.12896 -23.55256 1.000 64.03007  ? 750 PHE A CZ   1 
ATOM   878  N N    . LYS A 1 156 ? -15.31235 -18.89871 -28.21917 1.000 51.43128  ? 751 LYS A N    1 
ATOM   879  C CA   . LYS A 1 156 ? -15.70421 -20.30253 -28.28175 1.000 49.86381  ? 751 LYS A CA   1 
ATOM   880  C C    . LYS A 1 156 ? -15.63472 -20.87869 -26.87392 1.000 63.34341  ? 751 LYS A C    1 
ATOM   881  O O    . LYS A 1 156 ? -14.56747 -20.86971 -26.25169 1.000 54.92408  ? 751 LYS A O    1 
ATOM   882  C CB   . LYS A 1 156 ? -14.77902 -21.08123 -29.21370 1.000 49.02033  ? 751 LYS A CB   1 
ATOM   883  C CG   . LYS A 1 156 ? -15.08451 -20.89911 -30.70032 1.000 60.34485  ? 751 LYS A CG   1 
ATOM   884  C CD   . LYS A 1 156 ? -16.55383 -21.25350 -30.97190 1.000 57.93900  ? 751 LYS A CD   1 
ATOM   885  C CE   . LYS A 1 156 ? -16.85236 -21.40755 -32.45172 1.000 50.47466  ? 751 LYS A CE   1 
ATOM   886  N NZ   . LYS A 1 156 ? -18.32044 -21.61733 -32.62508 1.000 64.70144  ? 751 LYS A NZ   1 
ATOM   887  N N    . ALA A 1 157 ? -16.75274 -21.38915 -26.37178 1.000 57.23324  ? 752 ALA A N    1 
ATOM   888  C CA   . ALA A 1 157 ? -16.74550 -21.93498 -25.02406 1.000 53.24181  ? 752 ALA A CA   1 
ATOM   889  C C    . ALA A 1 157 ? -16.22489 -23.36639 -25.01932 1.000 59.92801  ? 752 ALA A C    1 
ATOM   890  O O    . ALA A 1 157 ? -16.42045 -24.12655 -25.97139 1.000 59.69496  ? 752 ALA A O    1 
ATOM   891  C CB   . ALA A 1 157 ? -18.14358 -21.88603 -24.41367 1.000 54.13263  ? 752 ALA A CB   1 
ATOM   892  N N    . THR A 1 158 ? -15.53680 -23.71848 -23.93486 1.000 66.75053  ? 753 THR A N    1 
ATOM   893  C CA   . THR A 1 158 ? -15.06558 -25.07488 -23.68052 1.000 73.49115  ? 753 THR A CA   1 
ATOM   894  C C    . THR A 1 158 ? -15.40051 -25.45744 -22.24733 1.000 80.01546  ? 753 THR A C    1 
ATOM   895  O O    . THR A 1 158 ? -15.27692 -24.63992 -21.33161 1.000 80.68254  ? 753 THR A O    1 
ATOM   896  C CB   . THR A 1 158 ? -13.56061 -25.21938 -23.91235 1.000 63.07031  ? 753 THR A CB   1 
ATOM   897  O OG1  . THR A 1 158 ? -12.86930 -24.29140 -23.07855 1.000 64.51239  ? 753 THR A OG1  1 
ATOM   898  C CG2  . THR A 1 158 ? -13.22845 -24.93367 -25.34690 1.000 50.71494  ? 753 THR A CG2  1 
ATOM   899  N N    . GLN A 1 159 ? -15.79947 -26.71193 -22.06103 1.000 91.68401  ? 754 GLN A N    1 
ATOM   900  C CA   A GLN A 1 159 ? -16.30891 -27.20101 -20.79115 0.500 89.96400  ? 754 GLN A CA   1 
ATOM   901  C CA   B GLN A 1 159 ? -16.30506 -27.19117 -20.78639 0.500 93.39105  ? 754 GLN A CA   1 
ATOM   902  C C    . GLN A 1 159 ? -15.17471 -27.79426 -19.94930 1.000 88.48621  ? 754 GLN A C    1 
ATOM   903  O O    . GLN A 1 159 ? -14.00020 -27.77050 -20.32639 1.000 82.96686  ? 754 GLN A O    1 
ATOM   904  C CB   A GLN A 1 159 ? -17.41821 -28.21469 -21.05523 0.500 93.05857  ? 754 GLN A CB   1 
ATOM   905  C CB   B GLN A 1 159 ? -17.42725 -28.19703 -21.02523 0.500 91.20079  ? 754 GLN A CB   1 
ATOM   906  C CG   A GLN A 1 159 ? -18.37162 -27.78230 -22.17174 0.500 91.82086  ? 754 GLN A CG   1 
ATOM   907  C CG   B GLN A 1 159 ? -17.87072 -28.31540 -22.48627 0.500 89.45356  ? 754 GLN A CG   1 
ATOM   908  C CD   A GLN A 1 159 ? -19.26149 -28.90739 -22.67373 0.500 97.80351  ? 754 GLN A CD   1 
ATOM   909  C CD   B GLN A 1 159 ? -18.56640 -27.06178 -23.00280 0.500 90.09236  ? 754 GLN A CD   1 
ATOM   910  O OE1  A GLN A 1 159 ? -19.13234 -30.05179 -22.24247 0.500 96.59926  ? 754 GLN A OE1  1 
ATOM   911  O OE1  B GLN A 1 159 ? -18.40532 -25.97516 -22.44643 0.500 90.72732  ? 754 GLN A OE1  1 
ATOM   912  N NE2  A GLN A 1 159 ? -20.16982 -28.58412 -23.59690 0.500 95.63248  ? 754 GLN A NE2  1 
ATOM   913  N NE2  B GLN A 1 159 ? -19.34837 -27.21187 -24.06912 0.500 92.20227  ? 754 GLN A NE2  1 
ATOM   914  N N    . ARG A 1 160 ? -15.52817 -28.31010 -18.77458 1.000 100.37295 ? 755 ARG A N    1 
ATOM   915  C CA   . ARG A 1 160 ? -14.57233 -28.89196 -17.84322 1.000 94.45485  ? 755 ARG A CA   1 
ATOM   916  C C    . ARG A 1 160 ? -15.03265 -30.28849 -17.44599 1.000 99.23388  ? 755 ARG A C    1 
ATOM   917  O O    . ARG A 1 160 ? -16.13765 -30.73030 -17.78064 1.000 94.53798  ? 755 ARG A O    1 
ATOM   918  C CB   . ARG A 1 160 ? -14.41191 -28.02975 -16.58557 1.000 88.56184  ? 755 ARG A CB   1 
ATOM   919  C CG   . ARG A 1 160 ? -13.41556 -26.88468 -16.66656 1.000 76.72525  ? 755 ARG A CG   1 
ATOM   920  C CD   . ARG A 1 160 ? -13.43576 -26.11272 -15.34775 1.000 75.40307  ? 755 ARG A CD   1 
ATOM   921  N NE   . ARG A 1 160 ? -12.23003 -25.31853 -15.13114 1.000 92.29532  ? 755 ARG A NE   1 
ATOM   922  C CZ   . ARG A 1 160 ? -11.75754 -24.97544 -13.93662 1.000 93.38054  ? 755 ARG A CZ   1 
ATOM   923  N NH1  . ARG A 1 160 ? -12.36167 -25.34915 -12.81905 1.000 87.46023  ? 755 ARG A NH1  1 
ATOM   924  N NH2  . ARG A 1 160 ? -10.64024 -24.25351 -13.86055 1.000 84.73918  ? 755 ARG A NH2  1 
ATOM   925  N N    . THR A 1 161 ? -14.15671 -30.97605 -16.71614 1.000 114.03042 ? 756 THR A N    1 
ATOM   926  C CA   . THR A 1 161 ? -14.41732 -32.29984 -16.16608 1.000 118.52828 ? 756 THR A CA   1 
ATOM   927  C C    . THR A 1 161 ? -13.86738 -32.33006 -14.74739 1.000 118.99457 ? 756 THR A C    1 
ATOM   928  O O    . THR A 1 161 ? -12.71107 -31.95231 -14.53338 1.000 117.28918 ? 756 THR A O    1 
ATOM   929  C CB   . THR A 1 161 ? -13.75735 -33.39733 -17.01667 1.000 112.53151 ? 756 THR A CB   1 
ATOM   930  O OG1  . THR A 1 161 ? -14.16041 -33.26200 -18.38780 1.000 111.98692 ? 756 THR A OG1  1 
ATOM   931  C CG2  . THR A 1 161 ? -14.15296 -34.78488 -16.51068 1.000 116.79530 ? 756 THR A CG2  1 
ATOM   932  N N    . GLU A 1 162 ? -14.67865 -32.77383 -13.78352 1.000 113.42976 ? 757 GLU A N    1 
ATOM   933  C CA   . GLU A 1 162 ? -14.28917 -32.74814 -12.37522 1.000 114.75468 ? 757 GLU A CA   1 
ATOM   934  C C    . GLU A 1 162 ? -13.75519 -34.10480 -11.91247 1.000 103.21715 ? 757 GLU A C    1 
ATOM   935  O O    . GLU A 1 162 ? -13.81696 -35.10784 -12.62713 1.000 100.82846 ? 757 GLU A O    1 
ATOM   936  C CB   . GLU A 1 162 ? -15.46577 -32.31323 -11.49359 1.000 120.80824 ? 757 GLU A CB   1 
ATOM   937  C CG   . GLU A 1 162 ? -15.86034 -30.85616 -11.67691 1.000 125.18864 ? 757 GLU A CG   1 
ATOM   938  C CD   . GLU A 1 162 ? -14.71223 -29.90459 -11.38943 1.000 119.13598 ? 757 GLU A CD   1 
ATOM   939  O OE1  . GLU A 1 162 ? -13.92580 -30.19034 -10.45982 1.000 111.79507 ? 757 GLU A OE1  1 
ATOM   940  O OE2  . GLU A 1 162 ? -14.59484 -28.87904 -12.09938 1.000 110.86372 ? 757 GLU A OE2  1 
ATOM   941  N N    . GLY A 1 163 ? -13.22190 -34.12062 -10.68927 1.000 98.40418  ? 758 GLY A N    1 
ATOM   942  C CA   . GLY A 1 163 ? -12.68404 -35.34444 -10.11721 1.000 102.56663 ? 758 GLY A CA   1 
ATOM   943  C C    . GLY A 1 163 ? -11.39169 -35.83205 -10.73775 1.000 99.05761  ? 758 GLY A C    1 
ATOM   944  O O    . GLY A 1 163 ? -11.01122 -36.99423 -10.54171 1.000 85.03517  ? 758 GLY A O    1 
ATOM   945  N N    . VAL A 1 164 ? -10.69477 -34.96129 -11.46731 1.000 101.27293 ? 759 VAL A N    1 
ATOM   946  C CA   . VAL A 1 164 ? -9.51614  -35.33497 -12.24437 1.000 95.36328  ? 759 VAL A CA   1 
ATOM   947  C C    . VAL A 1 164 ? -8.22206  -34.77095 -11.67139 1.000 97.52395  ? 759 VAL A C    1 
ATOM   948  O O    . VAL A 1 164 ? -7.13745  -35.15203 -12.14645 1.000 94.58845  ? 759 VAL A O    1 
ATOM   949  C CB   . VAL A 1 164 ? -9.66462  -34.90242 -13.72053 1.000 77.30737  ? 759 VAL A CB   1 
ATOM   950  C CG1  . VAL A 1 164 ? -10.59240 -35.84017 -14.47046 1.000 81.11736  ? 759 VAL A CG1  1 
ATOM   951  C CG2  . VAL A 1 164 ? -10.19668 -33.47964 -13.79826 1.000 80.54402  ? 759 VAL A CG2  1 
ATOM   952  N N    . SER A 1 165 ? -8.29155  -33.89003 -10.67151 1.000 100.67277 ? 760 SER A N    1 
ATOM   953  C CA   . SER A 1 165 ? -7.11154  -33.15343 -10.23710 1.000 100.10826 ? 760 SER A CA   1 
ATOM   954  C C    . SER A 1 165 ? -6.06067  -34.07962 -9.64096  1.000 101.85343 ? 760 SER A C    1 
ATOM   955  O O    . SER A 1 165 ? -6.37567  -35.07195 -8.97376  1.000 102.54648 ? 760 SER A O    1 
ATOM   956  C CB   . SER A 1 165 ? -7.48462  -32.08288 -9.20772  1.000 105.14685 ? 760 SER A CB   1 
ATOM   957  O OG   . SER A 1 165 ? -8.12510  -30.96855 -9.80762  1.000 109.73512 ? 760 SER A OG   1 
ATOM   958  N N    . THR A 1 166 ? -4.79819  -33.74478 -9.90550  1.000 101.30607 ? 761 THR A N    1 
ATOM   959  C CA   . THR A 1 166 ? -3.68491  -34.27766 -9.13901  1.000 95.77768  ? 761 THR A CA   1 
ATOM   960  C C    . THR A 1 166 ? -4.05613  -34.39450 -7.66655  1.000 96.25926  ? 761 THR A C    1 
ATOM   961  O O    . THR A 1 166 ? -4.02714  -35.48167 -7.07904  1.000 95.80842  ? 761 THR A O    1 
ATOM   962  C CB   . THR A 1 166 ? -2.47701  -33.35662 -9.33567  1.000 102.67897 ? 761 THR A CB   1 
ATOM   963  O OG1  . THR A 1 166 ? -2.15252  -33.28679 -10.73555 1.000 99.55783  ? 761 THR A OG1  1 
ATOM   964  C CG2  . THR A 1 166 ? -1.27529  -33.85264 -8.54122  1.000 97.56196  ? 761 THR A CG2  1 
ATOM   965  N N    . THR A 1 167 ? -4.44076  -33.26529 -7.07091  1.000 103.69886 ? 762 THR A N    1 
ATOM   966  C CA   . THR A 1 167 ? -4.86132  -33.25006 -5.67422  1.000 106.35524 ? 762 THR A CA   1 
ATOM   967  C C    . THR A 1 167 ? -5.84540  -34.37583 -5.36980  1.000 100.41776 ? 762 THR A C    1 
ATOM   968  O O    . THR A 1 167 ? -5.74985  -35.03515 -4.32941  1.000 99.55509  ? 762 THR A O    1 
ATOM   969  C CB   . THR A 1 167 ? -5.48328  -31.89026 -5.34273  1.000 108.88855 ? 762 THR A CB   1 
ATOM   970  O OG1  . THR A 1 167 ? -6.90588  -31.96475 -5.49243  1.000 110.11839 ? 762 THR A OG1  1 
ATOM   971  C CG2  . THR A 1 167 ? -4.94859  -30.81429 -6.29389  1.000 109.75785 ? 762 THR A CG2  1 
ATOM   972  N N    . ASP A 1 168 ? -6.79978  -34.61287 -6.26798  1.000 102.59689 ? 763 ASP A N    1 
ATOM   973  C CA   . ASP A 1 168 ? -7.81834  -35.62347 -6.00174  1.000 103.30832 ? 763 ASP A CA   1 
ATOM   974  C C    . ASP A 1 168 ? -7.19487  -37.00510 -5.84528  1.000 99.60290  ? 763 ASP A C    1 
ATOM   975  O O    . ASP A 1 168 ? -7.60054  -37.78904 -4.97533  1.000 89.56164  ? 763 ASP A O    1 
ATOM   976  C CB   . ASP A 1 168 ? -8.85794  -35.62322 -7.12460  1.000 106.89925 ? 763 ASP A CB   1 
ATOM   977  C CG   . ASP A 1 168 ? -9.46558  -34.24519 -7.36583  1.000 104.36905 ? 763 ASP A CG   1 
ATOM   978  O OD1  . ASP A 1 168 ? -8.87774  -33.24470 -6.91002  1.000 113.88882 ? 763 ASP A OD1  1 
ATOM   979  O OD2  . ASP A 1 168 ? -10.53395 -34.15995 -8.00766  1.000 101.43668 ? 763 ASP A OD2  1 
ATOM   980  N N    . LEU A 1 169 ? -6.20045  -37.31631 -6.68089  1.000 98.77629  ? 764 LEU A N    1 
ATOM   981  C CA   . LEU A 1 169 ? -5.59355  -38.64275 -6.66202  1.000 89.37474  ? 764 LEU A CA   1 
ATOM   982  C C    . LEU A 1 169 ? -4.81246  -38.87032 -5.37577  1.000 91.35044  ? 764 LEU A C    1 
ATOM   983  O O    . LEU A 1 169 ? -4.84365  -39.96825 -4.80567  1.000 85.43613  ? 764 LEU A O    1 
ATOM   984  C CB   . LEU A 1 169 ? -4.69200  -38.82063 -7.88559  1.000 92.58569  ? 764 LEU A CB   1 
ATOM   985  C CG   . LEU A 1 169 ? -5.35842  -39.02672 -9.25632  1.000 90.22702  ? 764 LEU A CG   1 
ATOM   986  C CD1  . LEU A 1 169 ? -6.04554  -40.38471 -9.33250  1.000 80.15701  ? 764 LEU A CD1  1 
ATOM   987  C CD2  . LEU A 1 169 ? -6.35622  -37.91449 -9.58211  1.000 97.10577  ? 764 LEU A CD2  1 
ATOM   988  N N    . ILE A 1 170 ? -4.10105  -37.84788 -4.90507  1.000 83.06127  ? 765 ILE A N    1 
ATOM   989  C CA   . ILE A 1 170 ? -3.47238  -37.95264 -3.59534  1.000 92.91616  ? 765 ILE A CA   1 
ATOM   990  C C    . ILE A 1 170 ? -4.52408  -38.24762 -2.53995  1.000 96.19157  ? 765 ILE A C    1 
ATOM   991  O O    . ILE A 1 170 ? -4.33246  -39.10050 -1.66498  1.000 91.94294  ? 765 ILE A O    1 
ATOM   992  C CB   . ILE A 1 170 ? -2.69066  -36.66943 -3.26910  1.000 85.49049  ? 765 ILE A CB   1 
ATOM   993  C CG1  . ILE A 1 170 ? -1.45781  -36.56546 -4.16369  1.000 88.69062  ? 765 ILE A CG1  1 
ATOM   994  C CG2  . ILE A 1 170 ? -2.31409  -36.64614 -1.81141  1.000 91.34661  ? 765 ILE A CG2  1 
ATOM   995  C CD1  . ILE A 1 170 ? -0.85155  -37.90778 -4.51761  1.000 87.59513  ? 765 ILE A CD1  1 
ATOM   996  N N    . VAL A 1 171 ? -5.65913  -37.55144 -2.61236  1.000 102.11453 ? 766 VAL A N    1 
ATOM   997  C CA   . VAL A 1 171 ? -6.76024  -37.82571 -1.69264  1.000 100.72801 ? 766 VAL A CA   1 
ATOM   998  C C    . VAL A 1 171 ? -7.11286  -39.30386 -1.73288  1.000 97.41815  ? 766 VAL A C    1 
ATOM   999  O O    . VAL A 1 171 ? -7.27114  -39.95796 -0.69528  1.000 92.27450  ? 766 VAL A O    1 
ATOM   1000 C CB   . VAL A 1 171 ? -7.98093  -36.95354 -2.03788  1.000 104.17361 ? 766 VAL A CB   1 
ATOM   1001 C CG1  . VAL A 1 171 ? -9.09674  -37.21034 -1.04664  1.000 95.91266  ? 766 VAL A CG1  1 
ATOM   1002 C CG2  . VAL A 1 171 ? -7.59831  -35.47684 -2.07605  1.000 103.05953 ? 766 VAL A CG2  1 
ATOM   1003 N N    . ARG A 1 172 ? -7.24686  -39.85318 -2.94128  1.000 99.37238  ? 767 ARG A N    1 
ATOM   1004 C CA   . ARG A 1 172 ? -7.57128  -41.26750 -3.04295  1.000 95.32684  ? 767 ARG A CA   1 
ATOM   1005 C C    . ARG A 1 172 ? -6.47779  -42.12503 -2.42892  1.000 94.17879  ? 767 ARG A C    1 
ATOM   1006 O O    . ARG A 1 172 ? -6.75923  -43.13679 -1.77725  1.000 95.20998  ? 767 ARG A O    1 
ATOM   1007 C CB   . ARG A 1 172 ? -7.78500  -41.67599 -4.49310  1.000 83.65185  ? 767 ARG A CB   1 
ATOM   1008 C CG   . ARG A 1 172 ? -8.04350  -43.16912 -4.57564  1.000 84.96627  ? 767 ARG A CG   1 
ATOM   1009 C CD   . ARG A 1 172 ? -7.79270  -43.73286 -5.93774  1.000 75.47854  ? 767 ARG A CD   1 
ATOM   1010 N NE   . ARG A 1 172 ? -8.64847  -43.10968 -6.93328  1.000 73.86307  ? 767 ARG A NE   1 
ATOM   1011 C CZ   . ARG A 1 172 ? -8.86535  -43.60586 -8.14117  1.000 77.69879  ? 767 ARG A CZ   1 
ATOM   1012 N NH1  . ARG A 1 172 ? -8.30721  -44.74212 -8.53113  1.000 78.96729  ? 767 ARG A NH1  1 
ATOM   1013 N NH2  . ARG A 1 172 ? -9.66659  -42.95037 -8.97530  1.000 72.35180  ? 767 ARG A NH2  1 
ATOM   1014 N N    . ILE A 1 173 ? -5.22007  -41.73579 -2.62554  1.000 94.20366  ? 768 ILE A N    1 
ATOM   1015 C CA   . ILE A 1 173 ? -4.12727  -42.61861 -2.25013  1.000 88.50426  ? 768 ILE A CA   1 
ATOM   1016 C C    . ILE A 1 173 ? -3.96088  -42.67641 -0.74092  1.000 94.77056  ? 768 ILE A C    1 
ATOM   1017 O O    . ILE A 1 173 ? -3.49821  -43.68845 -0.20257  1.000 96.58606  ? 768 ILE A O    1 
ATOM   1018 C CB   . ILE A 1 173 ? -2.83713  -42.17349 -2.95469  1.000 90.80277  ? 768 ILE A CB   1 
ATOM   1019 C CG1  . ILE A 1 173 ? -1.77449  -43.25722 -2.83404  1.000 89.71787  ? 768 ILE A CG1  1 
ATOM   1020 C CG2  . ILE A 1 173 ? -2.34869  -40.85939 -2.38310  1.000 89.68957  ? 768 ILE A CG2  1 
ATOM   1021 C CD1  . ILE A 1 173 ? -0.71901  -43.15461 -3.89656  1.000 93.57127  ? 768 ILE A CD1  1 
ATOM   1022 N N    . LEU A 1 174 ? -4.33494  -41.61465 -0.02689  1.000 91.07254  ? 769 LEU A N    1 
ATOM   1023 C CA   . LEU A 1 174 ? -4.21258  -41.66153 1.42426   1.000 98.37254  ? 769 LEU A CA   1 
ATOM   1024 C C    . LEU A 1 174 ? -5.32746  -42.47841 2.07103   1.000 104.21005 ? 769 LEU A C    1 
ATOM   1025 O O    . LEU A 1 174 ? -5.13666  -43.01276 3.17235   1.000 98.67669  ? 769 LEU A O    1 
ATOM   1026 C CB   . LEU A 1 174 ? -4.18822  -40.24570 2.00586   1.000 100.21388 ? 769 LEU A CB   1 
ATOM   1027 C CG   . LEU A 1 174 ? -2.85622  -39.49379 1.92981   1.000 96.64645  ? 769 LEU A CG   1 
ATOM   1028 C CD1  . LEU A 1 174 ? -1.68930  -40.44267 2.18322   1.000 87.17545  ? 769 LEU A CD1  1 
ATOM   1029 C CD2  . LEU A 1 174 ? -2.70294  -38.79606 0.59265   1.000 99.15393  ? 769 LEU A CD2  1 
ATOM   1030 N N    . LYS A 1 175 ? -6.48417  -42.59847 1.40629   1.000 107.04080 ? 770 LYS A N    1 
ATOM   1031 C CA   . LYS A 1 175 ? -7.60352  -43.34011 1.98038   1.000 105.24849 ? 770 LYS A CA   1 
ATOM   1032 C C    . LYS A 1 175 ? -7.21053  -44.75564 2.38358   1.000 107.37314 ? 770 LYS A C    1 
ATOM   1033 O O    . LYS A 1 175 ? -7.89855  -45.37222 3.20349   1.000 112.76028 ? 770 LYS A O    1 
ATOM   1034 C CB   . LYS A 1 175 ? -8.77117  -43.38153 0.99280   1.000 101.37873 ? 770 LYS A CB   1 
ATOM   1035 N N    . ASN A 1 176 ? -6.11848  -45.27867 1.84066   1.000 105.09664 ? 771 ASN A N    1 
ATOM   1036 C CA   . ASN A 1 176 ? -5.59680  -46.59863 2.18348   1.000 101.15665 ? 771 ASN A CA   1 
ATOM   1037 C C    . ASN A 1 176 ? -5.00715  -46.65362 3.58087   1.000 98.94282  ? 771 ASN A C    1 
ATOM   1038 O O    . ASN A 1 176 ? -4.46321  -47.70174 3.95551   1.000 97.09984  ? 771 ASN A O    1 
ATOM   1039 C CB   . ASN A 1 176 ? -4.54206  -47.01856 1.15632   1.000 99.91932  ? 771 ASN A CB   1 
ATOM   1040 C CG   . ASN A 1 176 ? -4.52649  -48.51648 0.91104   1.000 102.10601 ? 771 ASN A CG   1 
ATOM   1041 O OD1  . ASN A 1 176 ? -5.13749  -49.00488 -0.04213  1.000 94.08857  ? 771 ASN A OD1  1 
ATOM   1042 N ND2  . ASN A 1 176 ? -3.82978  -49.25454 1.77247   1.000 93.59781  ? 771 ASN A ND2  1 
ATOM   1043 N N    . TYR A 1 177 ? -5.09349  -45.56498 4.34172   1.000 104.21459 ? 772 TYR A N    1 
ATOM   1044 C CA   . TYR A 1 177 ? -4.54429  -45.50974 5.69581   1.000 99.25065  ? 772 TYR A CA   1 
ATOM   1045 C C    . TYR A 1 177 ? -5.44897  -44.68507 6.61601   1.000 100.09320 ? 772 TYR A C    1 
ATOM   1046 O O    . TYR A 1 177 ? -5.85773  -45.14313 7.68387   1.000 98.43711  ? 772 TYR A O    1 
ATOM   1047 C CB   . TYR A 1 177 ? -3.13092  -44.91805 5.67900   1.000 96.10207  ? 772 TYR A CB   1 
ATOM   1048 C CG   . TYR A 1 177 ? -2.20411  -45.51011 4.62845   1.000 99.20383  ? 772 TYR A CG   1 
ATOM   1049 C CD1  . TYR A 1 177 ? -1.35991  -46.57265 4.93422   1.000 100.30441 ? 772 TYR A CD1  1 
ATOM   1050 C CD2  . TYR A 1 177 ? -2.16451  -44.99760 3.33341   1.000 98.99821  ? 772 TYR A CD2  1 
ATOM   1051 C CE1  . TYR A 1 177 ? -0.50192  -47.11597 3.97687   1.000 102.09487 ? 772 TYR A CE1  1 
ATOM   1052 C CE2  . TYR A 1 177 ? -1.31199  -45.53533 2.36823   1.000 99.17462  ? 772 TYR A CE2  1 
ATOM   1053 C CZ   . TYR A 1 177 ? -0.48235  -46.59519 2.69502   1.000 101.56399 ? 772 TYR A CZ   1 
ATOM   1054 O OH   . TYR A 1 177 ? 0.36575   -47.13602 1.74457   1.000 93.48870  ? 772 TYR A OH   1 
HETATM 1055 N N1   . HVK B 2 .   ? -6.52978  -17.36973 -18.57480 1.000 76.86106  ? 801 HVK A N1   1 
HETATM 1056 C C2   . HVK B 2 .   ? -5.81269  -16.24232 -18.30236 1.000 70.36275  ? 801 HVK A C2   1 
HETATM 1057 C C3   . HVK B 2 .   ? -5.40274  -15.89195 -17.00872 1.000 67.84443  ? 801 HVK A C3   1 
HETATM 1058 C C4   . HVK B 2 .   ? -5.73729  -16.72782 -15.95274 1.000 70.54252  ? 801 HVK A C4   1 
HETATM 1059 C C5   . HVK B 2 .   ? -6.46540  -17.88330 -16.19909 1.000 69.64483  ? 801 HVK A C5   1 
HETATM 1060 C C6   . HVK B 2 .   ? -6.83366  -18.16048 -17.52097 1.000 70.99721  ? 801 HVK A C6   1 
HETATM 1061 N N    . HVK B 2 .   ? -5.42583  -15.33591 -19.33919 1.000 73.26199  ? 801 HVK A N    1 
HETATM 1062 N N1   . HVK C 2 .   ? -10.45701 -28.88567 -15.62707 1.000 71.78430  ? 802 HVK A N1   1 
HETATM 1063 C C2   . HVK C 2 .   ? -10.44219 -28.75645 -14.26961 1.000 79.61630  ? 802 HVK A C2   1 
HETATM 1064 C C3   . HVK C 2 .   ? -9.65504  -27.81011 -13.59804 1.000 74.25523  ? 802 HVK A C3   1 
HETATM 1065 C C4   . HVK C 2 .   ? -8.84777  -26.95868 -14.33692 1.000 76.03484  ? 802 HVK A C4   1 
HETATM 1066 C C5   . HVK C 2 .   ? -8.83844  -27.06768 -15.72171 1.000 73.48287  ? 802 HVK A C5   1 
HETATM 1067 C C6   . HVK C 2 .   ? -9.65650  -28.04039 -16.31767 1.000 73.31501  ? 802 HVK A C6   1 
HETATM 1068 N N    . HVK C 2 .   ? -11.23898 -29.59893 -13.43188 1.000 91.51178  ? 802 HVK A N    1 
HETATM 1069 H H3   . HVK C 2 .   ? -9.68782  -27.75559 -12.49988 1.000 89.18938  ? 802 HVK A H3   1 
HETATM 1070 H H4   . HVK C 2 .   ? -8.23185  -26.21636 -13.82714 1.000 91.32491  ? 802 HVK A H4   1 
HETATM 1071 H H5   . HVK C 2 .   ? -8.20889  -26.41099 -16.32758 1.000 88.26255  ? 802 HVK A H5   1 
HETATM 1072 H H6   . HVK C 2 .   ? -9.67552  -28.15376 -17.41667 1.000 88.06112  ? 802 HVK A H6   1 
HETATM 1073 H HN2  . HVK C 2 .   ? -10.94580 -29.93498 -12.51834 1.000 109.89724 ? 802 HVK A HN2  1 
HETATM 1074 H HN1A . HVK C 2 .   ? -12.13807 -29.85288 -13.80769 1.000 109.89724 ? 802 HVK A HN1A 1 
HETATM 1075 O O    . HOH D 3 .   ? 3.22069   -24.36829 -36.36600 1.000 58.35412  ? 901 HOH A O    1 
HETATM 1076 O O    . HOH D 3 .   ? -3.24311  -14.66332 -23.03504 1.000 42.03907  ? 902 HOH A O    1 
HETATM 1077 O O    . HOH D 3 .   ? 0.59416   -9.57739  -19.18357 1.000 55.00830  ? 903 HOH A O    1 
HETATM 1078 O O    . HOH D 3 .   ? 1.01246   -14.15761 -18.06448 1.000 56.71321  ? 904 HOH A O    1 
HETATM 1079 O O    . HOH D 3 .   ? -3.04584  -9.49010  -24.78637 1.000 56.12751  ? 905 HOH A O    1 
HETATM 1080 O O    . HOH D 3 .   ? -19.08882 -18.48233 -30.65792 1.000 45.30787  ? 906 HOH A O    1 
HETATM 1081 O O    . HOH D 3 .   ? -18.677   -20.147   -34.737   1.000 43.52695  ? 907 HOH A O    1 
HETATM 1082 O O    . HOH D 3 .   ? -7.05794  -29.28970 -37.35379 1.000 57.70989  ? 908 HOH A O    1 
HETATM 1083 O O    . HOH D 3 .   ? 5.35797   -14.63055 -29.54030 1.000 54.40023  ? 909 HOH A O    1 
HETATM 1084 O O    . HOH D 3 .   ? -9.70372  -37.69944 -32.34393 1.000 61.60828  ? 910 HOH A O    1 
HETATM 1085 O O    . HOH D 3 .   ? 12.10776  -24.48248 -13.72411 1.000 54.03132  ? 911 HOH A O    1 
HETATM 1086 O O    . HOH D 3 .   ? -15.48149 -8.15255  -21.67145 1.000 73.79039  ? 912 HOH A O    1 
HETATM 1087 O O    . HOH D 3 .   ? -10.94076 -20.48635 -43.52967 1.000 72.11373  ? 913 HOH A O    1 
HETATM 1088 O O    . HOH D 3 .   ? -18.212   -17.619   -33.185   1.000 49.56138  ? 914 HOH A O    1 
HETATM 1089 O O    . HOH D 3 .   ? -7.43435  -24.47993 -22.21060 1.000 52.11508  ? 915 HOH A O    1 
HETATM 1090 O O    . HOH D 3 .   ? -2.67903  -31.44665 -32.96660 1.000 57.62859  ? 916 HOH A O    1 
HETATM 1091 O O    . HOH D 3 .   ? -11.87694 -25.70061 -40.44591 1.000 59.72714  ? 917 HOH A O    1 
HETATM 1092 O O    . HOH D 3 .   ? -8.33716  -21.99214 -22.22469 1.000 63.32953  ? 918 HOH A O    1 
HETATM 1093 O O    . HOH D 3 .   ? 6.67613   -20.27197 -29.77069 1.000 47.41384  ? 919 HOH A O    1 
HETATM 1094 O O    . HOH D 3 .   ? -9.96042  -23.83647 -23.68098 1.000 54.75276  ? 920 HOH A O    1 
HETATM 1095 O O    . HOH D 3 .   ? -12.60511 -33.30891 -24.96610 1.000 49.42601  ? 921 HOH A O    1 
HETATM 1096 O O    . HOH D 3 .   ? -17.96561 -23.82771 -28.48992 1.000 61.21071  ? 922 HOH A O    1 
HETATM 1097 O O    . HOH D 3 .   ? -1.93335  -8.54825  -19.37126 1.000 52.69600  ? 923 HOH A O    1 
HETATM 1098 O O    . HOH D 3 .   ? -10.62841 -33.06020 -38.21337 1.000 63.30331  ? 924 HOH A O    1 
HETATM 1099 O O    . HOH D 3 .   ? 7.26733   -13.89366 -14.46757 1.000 71.64255  ? 925 HOH A O    1 
HETATM 1100 O O    . HOH D 3 .   ? 7.07161   -21.97586 -8.10552  1.000 63.99674  ? 926 HOH A O    1 
HETATM 1101 O O    . HOH D 3 .   ? 1.80790   -9.05837  -27.62398 1.000 59.29603  ? 927 HOH A O    1 
HETATM 1102 O O    . HOH D 3 .   ? -3.01994  -12.73666 -24.83624 1.000 48.47828  ? 928 HOH A O    1 
HETATM 1103 O O    . HOH D 3 .   ? -5.29904  -29.26620 -39.55379 1.000 67.68289  ? 929 HOH A O    1 
HETATM 1104 O O    . HOH D 3 .   ? -7.78885  -24.74685 -11.42635 1.000 72.63944  ? 930 HOH A O    1 
HETATM 1105 O O    . HOH D 3 .   ? -10.66250 -19.10546 -41.60162 1.000 58.96219  ? 931 HOH A O    1 
HETATM 1106 O O    . HOH D 3 .   ? -0.76462  -8.18631  -25.35500 1.000 57.47204  ? 932 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  ? 1.11081 1.21868 0.80615 0.03157  -0.13295 0.09017  616 LYS A N   
2    C CA  . LYS A 39  ? 0.98697 1.08767 0.70958 0.02042  -0.14745 0.06012  616 LYS A CA  
3    C C   . LYS A 39  ? 0.92730 1.01497 0.69598 0.01858  -0.12052 0.04845  616 LYS A C   
4    O O   . LYS A 39  ? 0.92267 1.00975 0.73337 0.00932  -0.12823 0.03462  616 LYS A O   
5    C CB  . LYS A 39  ? 1.05211 1.13774 0.71016 0.01622  -0.16269 0.02845  616 LYS A CB  
6    C CG  . LYS A 39  ? 1.14322 1.22211 0.83330 0.00053  -0.18652 0.00273  616 LYS A CG  
7    C CD  . LYS A 39  ? 1.13572 1.18702 0.76651 -0.00396 -0.19850 -0.03444 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.14139 1.19941 0.71222 -0.00567 -0.23377 -0.03816 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.38759 1.41143 0.89139 -0.00723 -0.24352 -0.08003 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.83779 0.91827 0.60111 0.02644  -0.08985 0.05644  617 ASN A N   
11   C CA  . ASN A 40  ? 0.78672 0.85600 0.58882 0.02474  -0.06749 0.04580  617 ASN A CA  
12   C C   . ASN A 40  ? 0.74678 0.82443 0.61086 0.02463  -0.06356 0.06376  617 ASN A C   
13   O O   . ASN A 40  ? 0.77577 0.85890 0.64851 0.03044  -0.05842 0.08920  617 ASN A O   
14   C CB  . ASN A 40  ? 0.80096 0.86206 0.57688 0.03253  -0.03854 0.04501  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.68218 0.73299 0.49585 0.03031  -0.02094 0.03340  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.87051 0.90742 0.68118 0.02688  -0.02283 0.00956  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.68963 0.74530 0.53954 0.03142  -0.00629 0.05086  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.66652 0.74324 0.57250 0.01851  -0.06477 0.05045  618 VAL A N   
19   C CA  . VAL A 41  ? 0.61586 0.70056 0.57725 0.02044  -0.06202 0.06076  618 VAL A CA  
20   C C   . VAL A 41  ? 0.54638 0.61853 0.52566 0.02048  -0.03912 0.05290  618 VAL A C   
21   O O   . VAL A 41  ? 0.52616 0.59014 0.49865 0.01521  -0.03241 0.03509  618 VAL A O   
22   C CB  . VAL A 41  ? 0.63263 0.73380 0.62916 0.01481  -0.07924 0.05436  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.50924 0.62184 0.55899 0.02234  -0.07544 0.06568  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.55206 0.66623 0.52751 0.01164  -0.10710 0.05877  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.52497 0.59372 0.52790 0.02590  -0.02980 0.06670  619 VAL A N   
26   C CA  . VAL A 42  ? 0.57794 0.63522 0.59692 0.02494  -0.01252 0.05982  619 VAL A CA  
27   C C   . VAL A 42  ? 0.59632 0.65625 0.65265 0.02558  -0.01255 0.04962  619 VAL A C   
28   O O   . VAL A 42  ? 0.49228 0.55661 0.57681 0.03223  -0.01842 0.05759  619 VAL A O   
29   C CB  . VAL A 42  ? 0.49089 0.54035 0.51658 0.02785  -0.00411 0.07879  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.48382 0.52265 0.53089 0.02483  0.00776  0.06968  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.53820 0.59179 0.52466 0.02838  0.00103  0.09093  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.48404 0.54161 0.53975 0.02044  -0.00477 0.03318  620 ILE A N   
33   C CA  . ILE A 43  ? 0.48288 0.54659 0.56418 0.02067  -0.00081 0.02267  620 ILE A CA  
34   C C   . ILE A 43  ? 0.51533 0.56576 0.59773 0.02047  0.01085  0.01534  620 ILE A C   
35   O O   . ILE A 43  ? 0.50893 0.55135 0.57313 0.01607  0.01549  0.01385  620 ILE A O   
36   C CB  . ILE A 43  ? 0.51009 0.58413 0.58753 0.01228  -0.00376 0.01368  620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.43506 0.52103 0.50929 0.00876  -0.02073 0.01858  620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.43125 0.51726 0.53311 0.01280  0.00440  0.00720  620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.45088 0.55911 0.56033 0.01426  -0.02912 0.02689  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.48713 0.53592 0.59107 0.02630  0.01460  0.00941  621 TYR A N   
41   C CA  . TYR A 44  ? 0.48779 0.52340 0.59080 0.02549  0.02119  -0.00081 621 TYR A CA  
42   C C   . TYR A 44  ? 0.53741 0.58309 0.64131 0.02697  0.02819  -0.01482 621 TYR A C   
43   O O   . TYR A 44  ? 0.45665 0.51446 0.57826 0.03505  0.03094  -0.01809 621 TYR A O   
44   C CB  . TYR A 44  ? 0.41211 0.43001 0.53390 0.03136  0.01852  0.00113  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.51592 0.51789 0.63710 0.02882  0.02014  -0.01255 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.49355 0.49061 0.60590 0.01897  0.01911  -0.00894 621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.46997 0.46265 0.60007 0.03713  0.02157  -0.02982 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.38162 0.36635 0.49536 0.01469  0.01555  -0.02097 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.51997 0.49560 0.64361 0.03387  0.01891  -0.04557 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.57398 0.54619 0.69035 0.02110  0.01379  -0.04006 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.53216 0.49016 0.64419 0.01583  0.00633  -0.05480 621 TYR A OH  
52   N N   . ALA A 45  ? 0.49086 0.53449 0.57693 0.02040  0.03195  -0.02081 622 ALA A N   
53   C CA  . ALA A 45  ? 0.46525 0.51914 0.54439 0.02084  0.03982  -0.03059 622 ALA A CA  
54   C C   . ALA A 45  ? 0.55748 0.59746 0.62161 0.01944  0.03877  -0.04033 622 ALA A C   
55   O O   . ALA A 45  ? 0.60717 0.64117 0.66124 0.01220  0.03427  -0.03539 622 ALA A O   
56   C CB  . ALA A 45  ? 0.59330 0.65986 0.66375 0.01195  0.04172  -0.02366 622 ALA A CB  
57   N N   . ASP A 46  ? 0.56167 0.59639 0.62527 0.02721  0.04150  -0.05522 623 ASP A N   
58   C CA  . ASP A 46  ? 0.62656 0.64858 0.67158 0.02444  0.03644  -0.06736 623 ASP A CA  
59   C C   . ASP A 46  ? 0.61191 0.64906 0.63064 0.02652  0.04552  -0.07547 623 ASP A C   
60   O O   . ASP A 46  ? 0.71043 0.76859 0.73154 0.03091  0.05844  -0.07204 623 ASP A O   
61   C CB  . ASP A 46  ? 0.66139 0.65893 0.71768 0.03009  0.02921  -0.08190 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.73822 0.73538 0.80047 0.04596  0.03846  -0.09745 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.89194 0.91220 0.94227 0.05242  0.05240  -0.10133 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.70806 0.68182 0.79052 0.05277  0.03259  -0.10462 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.59597 0.62543 0.59063 0.02235  0.03794  -0.08376 624 GLY A N   
66   C CA  . GLY A 47  ? 0.54264 0.58622 0.50358 0.02384  0.04504  -0.08904 624 GLY A CA  
67   C C   . GLY A 47  ? 0.73193 0.76594 0.66902 0.01639  0.02887  -0.09310 624 GLY A C   
68   O O   . GLY A 47  ? 0.64152 0.66147 0.59534 0.00936  0.01343  -0.09055 624 GLY A O   
69   N N   . VAL A 48  ? 0.68012 0.72562 0.57856 0.01804  0.03251  -0.09782 625 VAL A N   
70   C CA  . VAL A 48  ? 0.60885 0.65032 0.48103 0.01076  0.01418  -0.09865 625 VAL A CA  
71   C C   . VAL A 48  ? 0.70688 0.75838 0.58855 0.00153  0.00931  -0.07032 625 VAL A C   
72   O O   . VAL A 48  ? 0.75196 0.79753 0.64455 -0.00513 -0.00884 -0.06450 625 VAL A O   
73   C CB  . VAL A 48  ? 0.73462 0.78501 0.55395 0.01732  0.01914  -0.11369 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.74069 0.78768 0.52914 0.00928  -0.00546 -0.11478 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.67499 0.71174 0.48709 0.03082  0.02669  -0.14600 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.62908 0.69555 0.51211 0.00123  0.02496  -0.05203 626 TYR A N   
77   C CA  . TYR A 49  ? 0.57608 0.64562 0.46851 -0.00585 0.02076  -0.02660 626 TYR A CA  
78   C C   . TYR A 49  ? 0.68888 0.76177 0.55372 -0.00912 0.00535  -0.01837 626 TYR A C   
79   O O   . TYR A 49  ? 0.68255 0.75127 0.56387 -0.01248 -0.00779 -0.00427 626 TYR A O   
80   C CB  . TYR A 49  ? 0.62258 0.67991 0.55340 -0.00785 0.01473  -0.02179 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.62005 0.67558 0.57330 -0.00501 0.02668  -0.02660 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.54672 0.61180 0.50508 -0.00647 0.03927  -0.01673 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.52000 0.56542 0.49143 -0.00200 0.02339  -0.03875 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.57603 0.64290 0.55631 -0.00425 0.04604  -0.02017 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.64081 0.68601 0.63150 0.00148  0.03171  -0.04003 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.62831 0.68556 0.62259 0.00078  0.04205  -0.03154 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.61915 0.67955 0.63402 0.00381  0.04633  -0.03179 626 TYR A OH  
88   N N   . ASP A 50  ? 0.66446 0.74661 0.48602 -0.00640 0.00681  -0.02743 627 ASP A N   
89   C CA  . ASP A 50  ? 0.69118 0.78018 0.47782 -0.00943 -0.00896 -0.01676 627 ASP A CA  
90   C C   . ASP A 50  ? 0.77611 0.87608 0.55860 -0.01313 -0.00040 0.01666  627 ASP A C   
91   O O   . ASP A 50  ? 0.74604 0.85716 0.52501 -0.01304 0.02177  0.02507  627 ASP A O   
92   C CB  . ASP A 50  ? 0.71351 0.80834 0.44548 -0.00429 -0.00949 -0.03923 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.84861 0.94667 0.54363 -0.00820 -0.03622 -0.03578 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.89114 0.98735 0.61345 -0.01416 -0.05566 -0.01713 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.95191 1.05585 0.58993 -0.00411 -0.03844 -0.05208 627 ASP A OD2 
96   N N   . MET A 51  ? 0.72179 0.81886 0.51102 -0.01656 -0.01850 0.03758  628 MET A N   
97   C CA  . MET A 51  ? 0.73199 0.83253 0.52032 -0.02012 -0.01458 0.07185  628 MET A CA  
98   C C   . MET A 51  ? 0.69105 0.78598 0.51207 -0.02318 0.00618  0.08015  628 MET A C   
99   O O   . MET A 51  ? 0.70294 0.80897 0.51305 -0.02762 0.02249  0.09655  628 MET A O   
100  C CB  . MET A 51  ? 0.71713 0.83645 0.44876 -0.02095 -0.01146 0.08449  628 MET A CB  
101  C CG  . MET A 51  ? 0.93156 1.05624 0.62269 -0.01864 -0.03552 0.07153  628 MET A CG  
102  S SD  . MET A 51  ? 1.17588 1.32353 0.79088 -0.01892 -0.03545 0.09300  628 MET A SD  
103  C CE  . MET A 51  ? 1.15437 1.29766 0.79640 -0.02426 -0.04510 0.14551  628 MET A CE  
104  N N   . LEU A 52  ? 0.66257 0.74202 0.52441 -0.02167 0.00439  0.06944  629 LEU A N   
105  C CA  . LEU A 52  ? 0.57190 0.64398 0.46376 -0.02474 0.01864  0.07086  629 LEU A CA  
106  C C   . LEU A 52  ? 0.66650 0.73671 0.56179 -0.03260 0.02456  0.09974  629 LEU A C   
107  O O   . LEU A 52  ? 0.64458 0.70427 0.54017 -0.03322 0.01306  0.12078  629 LEU A O   
108  C CB  . LEU A 52  ? 0.66979 0.72312 0.59678 -0.02117 0.01113  0.06277  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.65699 0.70471 0.60640 -0.02320 0.02271  0.05391  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.65209 0.70801 0.60086 -0.01899 0.02718  0.03114  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.62684 0.65325 0.60183 -0.02078 0.01735  0.05533  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.60399 0.68483 0.50765 -0.03900 0.04155  0.10272  630 HIS A N   
113  C CA  . HIS A 53  ? 0.62244 0.70063 0.53878 -0.05045 0.04683  0.13185  630 HIS A CA  
114  C C   . HIS A 53  ? 0.52744 0.60003 0.48175 -0.05847 0.05337  0.12786  630 HIS A C   
115  O O   . HIS A 53  ? 0.60879 0.67789 0.57744 -0.05349 0.05252  0.10378  630 HIS A O   
116  C CB  . HIS A 53  ? 0.73054 0.83827 0.61510 -0.05481 0.06108  0.15187  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.77375 0.91207 0.64436 -0.04966 0.08037  0.13263  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.76854 0.91957 0.67231 -0.05326 0.09441  0.12622  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.94107 1.09893 0.76901 -0.03957 0.08703  0.11718  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.82762 1.00577 0.71396 -0.04357 0.11087  0.10893  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.84935 1.02959 0.68724 -0.03488 0.10737  0.10121  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.63434 0.70632 0.60587 -0.07240 0.05789  0.15375  631 LEU A N   
123  C CA  . LEU A 54  ? 0.56359 0.62771 0.57433 -0.08353 0.05803  0.15168  631 LEU A CA  
124  C C   . LEU A 54  ? 0.59594 0.69087 0.61651 -0.08140 0.07066  0.13357  631 LEU A C   
125  O O   . LEU A 54  ? 0.58574 0.67256 0.63292 -0.08420 0.06442  0.11950  631 LEU A O   
126  C CB  . LEU A 54  ? 0.57841 0.64164 0.60908 -0.10215 0.06103  0.18617  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.51796 0.56999 0.59293 -0.11767 0.05558  0.18511  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.54251 0.55168 0.62466 -0.11105 0.03656  0.16029  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.62977 0.67384 0.72779 -0.13818 0.05513  0.22247  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.55831 0.68842 0.55672 -0.07520 0.08783  0.13369  632 GLY A N   
131  C CA  . GLY A 55  ? 0.63677 0.79493 0.64599 -0.06796 0.10045  0.11468  632 GLY A CA  
132  C C   . GLY A 55  ? 0.60318 0.74243 0.61369 -0.05590 0.08873  0.08440  632 GLY A C   
133  O O   . GLY A 55  ? 0.73292 0.87542 0.77198 -0.05650 0.08647  0.07441  632 GLY A O   
134  N N   . HIS A 56  ? 0.63360 0.75504 0.61524 -0.04585 0.07990  0.07213  633 HIS A N   
135  C CA  . HIS A 56  ? 0.51655 0.62155 0.50349 -0.03658 0.07000  0.04850  633 HIS A CA  
136  C C   . HIS A 56  ? 0.63379 0.71728 0.64645 -0.04250 0.05861  0.04859  633 HIS A C   
137  O O   . HIS A 56  ? 0.63662 0.71903 0.66349 -0.03871 0.05579  0.03501  633 HIS A O   
138  C CB  . HIS A 56  ? 0.52328 0.61357 0.48441 -0.02888 0.05970  0.04002  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.54856 0.65503 0.47528 -0.02345 0.06589  0.03613  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.58740 0.69827 0.48682 -0.02698 0.06406  0.05370  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.66243 0.77876 0.57391 -0.01368 0.07225  0.01518  633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.62764 0.75280 0.49108 -0.02005 0.06902  0.04253  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.63733 0.76386 0.50803 -0.01149 0.07424  0.01699  633 HIS A NE2 
144  N N   . MET A 57  ? 0.59249 0.65692 0.60952 -0.05108 0.05124  0.06373  634 MET A N   
145  C CA  . MET A 57  ? 0.64043 0.67816 0.67435 -0.05427 0.03936  0.05815  634 MET A CA  
146  C C   . MET A 57  ? 0.61063 0.65947 0.67001 -0.06383 0.03909  0.05630  634 MET A C   
147  O O   . MET A 57  ? 0.54618 0.58783 0.61108 -0.06043 0.03164  0.04118  634 MET A O   
148  C CB  . MET A 57  ? 0.60779 0.61778 0.64303 -0.05958 0.03119  0.07333  634 MET A CB  
149  C CG  . MET A 57  ? 0.60458 0.60765 0.62020 -0.04891 0.02810  0.07733  634 MET A CG  
150  S SD  . MET A 57  ? 0.68408 0.65775 0.70505 -0.05265 0.01875  0.10212  634 MET A SD  
151  C CE  . MET A 57  ? 0.50814 0.49225 0.50633 -0.03986 0.01425  0.10805  634 MET A CE  
152  N N   . LYS A 58  ? 0.56721 0.63791 0.64344 -0.07616 0.04690  0.07378  635 LYS A N   
153  C CA  . LYS A 58  ? 0.51112 0.60045 0.62033 -0.08661 0.04518  0.07465  635 LYS A CA  
154  C C   . LYS A 58  ? 0.51955 0.63150 0.63206 -0.07408 0.04936  0.05814  635 LYS A C   
155  O O   . LYS A 58  ? 0.56428 0.67588 0.69426 -0.07638 0.03786  0.04972  635 LYS A O   
156  C CB  . LYS A 58  ? 0.46597 0.58518 0.59787 -0.10123 0.05756  0.10027  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.52730 0.61933 0.67021 -0.11886 0.04803  0.12008  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.50910 0.63017 0.66512 -0.13174 0.06404  0.15186  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.63525 0.75306 0.83921 -0.15754 0.05361  0.16964  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.75214 0.88150 0.96810 -0.17398 0.06512  0.20830  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.49405 0.62278 0.58860 -0.06034 0.06343  0.05285  636 GLN A N   
162  C CA  . GLN A 59  ? 0.61386 0.75553 0.71300 -0.04647 0.06597  0.03675  636 GLN A CA  
163  C C   . GLN A 59  ? 0.59561 0.70940 0.68738 -0.04163 0.05007  0.02328  636 GLN A C   
164  O O   . GLN A 59  ? 0.56651 0.68728 0.67475 -0.03886 0.04339  0.01786  636 GLN A O   
165  C CB  . GLN A 59  ? 0.55363 0.70435 0.62839 -0.03220 0.07987  0.02827  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.66268 0.83553 0.75291 -0.01839 0.08903  0.01661  636 GLN A CG  
167  C CD  . GLN A 59  ? 0.74821 0.94193 0.82053 -0.00755 0.10915  0.01185  636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.73288 0.91497 0.76873 -0.00656 0.11064  0.00952  636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.79948 1.02612 0.89679 0.00183  0.12446  0.01009  636 GLN A NE2 
170  N N   . LEU A 60  ? 0.48734 0.57284 0.55500 -0.03955 0.04452  0.01993  637 LEU A N   
171  C CA  . LEU A 60  ? 0.50678 0.57098 0.56512 -0.03301 0.03468  0.00899  637 LEU A CA  
172  C C   . LEU A 60  ? 0.57243 0.62509 0.63878 -0.04070 0.02189  0.00749  637 LEU A C   
173  O O   . LEU A 60  ? 0.52806 0.57809 0.59164 -0.03572 0.01495  -0.00003 637 LEU A O   
174  C CB  . LEU A 60  ? 0.55392 0.59754 0.59220 -0.02846 0.03370  0.00810  637 LEU A CB  
175  C CG  . LEU A 60  ? 0.56019 0.61135 0.58618 -0.02155 0.03984  0.00599  637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.58267 0.61917 0.59627 -0.02002 0.03532  0.01034  637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.58255 0.63515 0.61129 -0.01293 0.03948  -0.00492 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.49151 0.53501 0.56583 -0.05346 0.01706  0.01498  638 GLU A N   
179  C CA  . GLU A 61  ? 0.53515 0.56561 0.61820 -0.06360 0.00131  0.01063  638 GLU A CA  
180  C C   . GLU A 61  ? 0.52706 0.58603 0.63223 -0.06674 -0.00430 0.01060  638 GLU A C   
181  O O   . GLU A 61  ? 0.62645 0.67852 0.72533 -0.06604 -0.01862 0.00119  638 GLU A O   
182  C CB  . GLU A 61  ? 0.51200 0.52924 0.60985 -0.07995 -0.00339 0.02177  638 GLU A CB  
183  C CG  . GLU A 61  ? 0.50314 0.50306 0.61198 -0.09314 -0.02339 0.01456  638 GLU A CG  
184  C CD  . GLU A 61  ? 0.54757 0.53235 0.67953 -0.11259 -0.02985 0.02797  638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.56508 0.56805 0.71086 -0.11781 -0.01591 0.04901  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.61286 0.56643 0.74794 -0.12320 -0.04955 0.01771  638 GLU A OE2 
187  N N   . GLN A 62  ? 0.51583 0.60944 0.64632 -0.06857 0.00716  0.02170  639 GLN A N   
188  C CA  . GLN A 62  ? 0.50445 0.63095 0.66453 -0.06809 0.00335  0.02376  639 GLN A CA  
189  C C   . GLN A 62  ? 0.50442 0.62791 0.64980 -0.05185 -0.00032 0.01364  639 GLN A C   
190  O O   . GLN A 62  ? 0.54892 0.67780 0.70204 -0.05284 -0.01642 0.01184  639 GLN A O   
191  C CB  . GLN A 62  ? 0.56844 0.73399 0.75491 -0.06617 0.02326  0.03556  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.60501 0.80959 0.84076 -0.07733 0.01992  0.04789  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.75443 1.00092 1.01295 -0.07243 0.04619  0.05991  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.80780 1.08640 1.08899 -0.05804 0.05574  0.05826  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.71511 0.96129 0.96617 -0.08256 0.05894  0.07270  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.47930 0.59445 0.60446 -0.03797 0.01256  0.00888  640 ALA A N   
197  C CA  . ALA A 63  ? 0.41600 0.52369 0.52951 -0.02500 0.00883  0.00310  640 ALA A CA  
198  C C   . ALA A 63  ? 0.47566 0.56169 0.56643 -0.02799 -0.00663 -0.00137 640 ALA A C   
199  O O   . ALA A 63  ? 0.52684 0.61829 0.61763 -0.02429 -0.01786 -0.00021 640 ALA A O   
200  C CB  . ALA A 63  ? 0.48824 0.58338 0.58387 -0.01452 0.02140  -0.00172 640 ALA A CB  
201  N N   . LYS A 64  ? 0.58486 0.64624 0.65425 -0.03315 -0.00747 -0.00640 641 LYS A N   
202  C CA  . LYS A 64  ? 0.54827 0.58774 0.58910 -0.03122 -0.01764 -0.01467 641 LYS A CA  
203  C C   . LYS A 64  ? 0.53960 0.58405 0.58436 -0.04035 -0.03822 -0.01739 641 LYS A C   
204  O O   . LYS A 64  ? 0.54222 0.58108 0.56252 -0.03546 -0.04832 -0.02204 641 LYS A O   
205  C CB  . LYS A 64  ? 0.51695 0.52849 0.53966 -0.03183 -0.01329 -0.02100 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.47742 0.46434 0.46734 -0.02592 -0.01885 -0.03339 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.55702 0.55024 0.52754 -0.01239 -0.01103 -0.03174 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.64046 0.61520 0.57357 -0.00621 -0.01576 -0.04461 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.69491 0.67977 0.60615 0.00560  -0.00732 -0.03889 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.57945 0.63808 0.65557 -0.05427 -0.04545 -0.01264 642 LYS A N   
211  C CA  . LYS A 65  ? 0.54452 0.60739 0.62951 -0.06698 -0.06990 -0.01583 642 LYS A CA  
212  C C   . LYS A 65  ? 0.49678 0.59969 0.61612 -0.06627 -0.07796 -0.00448 642 LYS A C   
213  O O   . LYS A 65  ? 0.45125 0.56864 0.59334 -0.07977 -0.09955 -0.00283 642 LYS A O   
214  C CB  . LYS A 65  ? 0.61052 0.66255 0.71607 -0.08642 -0.07713 -0.01574 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.59466 0.60189 0.66895 -0.08540 -0.07380 -0.02751 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.59450 0.58958 0.69621 -0.10421 -0.07775 -0.02091 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.70068 0.64656 0.77454 -0.10060 -0.07764 -0.03319 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.69520 0.61836 0.79541 -0.12163 -0.09002 -0.02846 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.53051 0.65051 0.65752 -0.05058 -0.06315 0.00313  643 LEU A N   
220  C CA  . LEU A 66  ? 0.45460 0.60975 0.61645 -0.04537 -0.07090 0.01403  643 LEU A CA  
221  C C   . LEU A 66  ? 0.51135 0.66649 0.65717 -0.04734 -0.09870 0.01354  643 LEU A C   
222  O O   . LEU A 66  ? 0.46484 0.65123 0.64632 -0.05091 -0.11584 0.02278  643 LEU A O   
223  C CB  . LEU A 66  ? 0.46637 0.62702 0.63264 -0.02595 -0.05229 0.01883  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.48334 0.65318 0.66840 -0.02278 -0.02789 0.01867  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.46612 0.62507 0.64112 -0.00522 -0.01239 0.01597  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.39948 0.61240 0.63796 -0.02558 -0.02663 0.02823  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.52219 0.64639 0.61462 -0.04385 -0.10336 0.00390  644 PHE A N   
228  C CA  . PHE A 67  ? 0.47334 0.59554 0.53613 -0.04485 -0.12933 0.00196  644 PHE A CA  
229  C C   . PHE A 67  ? 0.61270 0.69762 0.62342 -0.05072 -0.13489 -0.01849 644 PHE A C   
230  O O   . PHE A 67  ? 0.63849 0.70057 0.64378 -0.05296 -0.11910 -0.02803 644 PHE A O   
231  C CB  . PHE A 67  ? 0.52619 0.65378 0.57148 -0.02755 -0.12615 0.01530  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.58061 0.73919 0.67844 -0.01828 -0.12290 0.03355  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.52874 0.68694 0.65077 -0.00874 -0.09654 0.03612  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.49785 0.68500 0.62011 -0.01737 -0.14765 0.04694  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.46787 0.64961 0.63610 0.00326  -0.09215 0.04847  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.55541 0.77006 0.73062 -0.00473 -0.14333 0.06324  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.41066 0.62043 0.60798 0.00660  -0.11404 0.06239  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.72456 0.80298 0.69515 -0.05153 -0.15817 -0.02560 645 GLU A N   
239  C CA  . GLU A 68  ? 0.72578 0.76731 0.64406 -0.05537 -0.16619 -0.05024 645 GLU A CA  
240  C C   . GLU A 68  ? 0.82111 0.83960 0.69628 -0.03825 -0.13782 -0.05560 645 GLU A C   
241  O O   . GLU A 68  ? 0.77274 0.76180 0.63467 -0.03805 -0.12671 -0.07194 645 GLU A O   
242  C CB  . GLU A 68  ? 0.85738 0.90130 0.73854 -0.05971 -0.20034 -0.05777 645 GLU A CB  
243  C CG  . GLU A 68  ? 0.96521 0.96980 0.79726 -0.06706 -0.21739 -0.08944 645 GLU A CG  
244  C CD  . GLU A 68  ? 1.03601 1.04119 0.80958 -0.06549 -0.24714 -0.09863 645 GLU A CD  
245  O OE1 . GLU A 68  ? 1.08938 1.12966 0.87087 -0.06212 -0.25935 -0.07592 645 GLU A OE1 
246  O OE2 . GLU A 68  ? 1.21825 1.18735 0.93539 -0.06620 -0.25887 -0.12901 645 GLU A OE2 
247  N N   . ASN A 69  ? 0.79263 0.82551 0.65138 -0.02389 -0.12613 -0.03938 646 ASN A N   
248  C CA  . ASN A 69  ? 0.75996 0.78049 0.58740 -0.00880 -0.09849 -0.03848 646 ASN A CA  
249  C C   . ASN A 69  ? 0.69452 0.73195 0.56311 -0.00296 -0.07810 -0.01658 646 ASN A C   
250  O O   . ASN A 69  ? 0.73029 0.78703 0.61059 0.00141  -0.08210 0.00340  646 ASN A O   
251  C CB  . ASN A 69  ? 0.86642 0.88734 0.63276 0.00145  -0.10253 -0.03726 646 ASN A CB  
252  C CG  . ASN A 69  ? 1.00779 1.00797 0.72407 -0.00300 -0.12492 -0.06466 646 ASN A CG  
253  O OD1 . ASN A 69  ? 1.04019 1.04843 0.71632 -0.00244 -0.14598 -0.06374 646 ASN A OD1 
254  N ND2 . ASN A 69  ? 0.97258 0.94336 0.68985 -0.00743 -0.12267 -0.08947 646 ASN A ND2 
255  N N   . THR A 70  ? 0.59755 0.62539 0.48768 -0.00268 -0.05872 -0.02063 647 THR A N   
256  C CA  . THR A 70  ? 0.62868 0.66714 0.55265 0.00203  -0.04130 -0.00561 647 THR A CA  
257  C C   . THR A 70  ? 0.70168 0.72897 0.61152 0.01027  -0.01896 -0.00614 647 THR A C   
258  O O   . THR A 70  ? 0.61840 0.62987 0.50150 0.01328  -0.01352 -0.01991 647 THR A O   
259  C CB  . THR A 70  ? 0.68985 0.73449 0.65791 -0.00594 -0.03995 -0.00729 647 THR A CB  
260  O OG1 . THR A 70  ? 0.58919 0.61523 0.55173 -0.01084 -0.03424 -0.02059 647 THR A OG1 
261  C CG2 . THR A 70  ? 0.59449 0.65813 0.58844 -0.01464 -0.06002 -0.00453 647 THR A CG2 
262  N N   . THR A 71  ? 0.66539 0.70113 0.59743 0.01438  -0.00713 0.00883  648 THR A N   
263  C CA  . THR A 71  ? 0.54935 0.58021 0.49144 0.01754  0.01099  0.00965  648 THR A CA  
264  C C   . THR A 71  ? 0.52764 0.56155 0.50758 0.01309  0.01173  0.01026  648 THR A C   
265  O O   . THR A 71  ? 0.55150 0.59297 0.55212 0.01391  0.00786  0.01924  648 THR A O   
266  C CB  . THR A 71  ? 0.54932 0.58703 0.48556 0.02386  0.02270  0.02677  648 THR A CB  
267  O OG1 . THR A 71  ? 0.58825 0.62705 0.48188 0.02988  0.02446  0.02660  648 THR A OG1 
268  C CG2 . THR A 71  ? 0.56910 0.60628 0.52370 0.02502  0.03825  0.02815  648 THR A CG2 
269  N N   . LEU A 72  ? 0.46309 0.49035 0.45001 0.00993  0.01640  0.00068  649 LEU A N   
270  C CA  . LEU A 72  ? 0.46828 0.49950 0.48097 0.00658  0.01847  -0.00030 649 LEU A CA  
271  C C   . LEU A 72  ? 0.55024 0.57938 0.57184 0.00925  0.02732  0.00368  649 LEU A C   
272  O O   . LEU A 72  ? 0.52843 0.55328 0.54444 0.01032  0.03291  0.00210  649 LEU A O   
273  C CB  . LEU A 72  ? 0.41281 0.43988 0.42659 0.00011  0.01696  -0.00830 649 LEU A CB  
274  C CG  . LEU A 72  ? 0.53910 0.57317 0.57025 -0.00209 0.02202  -0.00826 649 LEU A CG  
275  C CD1 . LEU A 72  ? 0.40153 0.44947 0.45078 0.00044  0.02126  -0.00650 649 LEU A CD1 
276  C CD2 . LEU A 72  ? 0.44363 0.47641 0.47604 -0.00968 0.02184  -0.00958 649 LEU A CD2 
277  N N   . ILE A 73  ? 0.55982 0.59125 0.59906 0.01052  0.02689  0.00880  650 ILE A N   
278  C CA  . ILE A 73  ? 0.45853 0.48612 0.51160 0.00962  0.03040  0.01067  650 ILE A CA  
279  C C   . ILE A 73  ? 0.46618 0.49246 0.52584 0.00777  0.02890  -0.00087 650 ILE A C   
280  O O   . ILE A 73  ? 0.53578 0.56528 0.60068 0.01004  0.02771  -0.00611 650 ILE A O   
281  C CB  . ILE A 73  ? 0.48251 0.50663 0.55128 0.01092  0.02889  0.02242  650 ILE A CB  
282  C CG1 . ILE A 73  ? 0.44435 0.47401 0.49927 0.01317  0.03234  0.03741  650 ILE A CG1 
283  C CG2 . ILE A 73  ? 0.49377 0.51223 0.58136 0.00633  0.02906  0.02358  650 ILE A CG2 
284  C CD1 . ILE A 73  ? 0.48947 0.51608 0.56042 0.01311  0.03140  0.05629  650 ILE A CD1 
285  N N   . VAL A 74  ? 0.55662 0.58155 0.61529 0.00479  0.02935  -0.00404 651 VAL A N   
286  C CA  . VAL A 74  ? 0.51638 0.54151 0.57125 0.00320  0.02756  -0.01422 651 VAL A CA  
287  C C   . VAL A 74  ? 0.54087 0.55933 0.60587 0.00076  0.02151  -0.01827 651 VAL A C   
288  O O   . VAL A 74  ? 0.62435 0.64446 0.69883 -0.00280 0.01885  -0.01106 651 VAL A O   
289  C CB  . VAL A 74  ? 0.49323 0.52185 0.53481 0.00071  0.02855  -0.01313 651 VAL A CB  
290  C CG1 . VAL A 74  ? 0.50154 0.53321 0.53319 -0.00092 0.02704  -0.02001 651 VAL A CG1 
291  C CG2 . VAL A 74  ? 0.53104 0.56104 0.56640 0.00024  0.03117  -0.01068 651 VAL A CG2 
292  N N   . GLY A 75  ? 0.58210 0.59365 0.64742 0.00304  0.01898  -0.03078 652 GLY A N   
293  C CA  . GLY A 75  ? 0.48365 0.48275 0.55629 -0.00043 0.00919  -0.04004 652 GLY A CA  
294  C C   . GLY A 75  ? 0.62957 0.63171 0.67833 -0.00151 0.00498  -0.05326 652 GLY A C   
295  O O   . GLY A 75  ? 0.61089 0.62065 0.64006 0.00377  0.01302  -0.05966 652 GLY A O   
296  N N   . VAL A 76  ? 0.59791 0.59742 0.64982 -0.00902 -0.00807 -0.05475 653 VAL A N   
297  C CA  . VAL A 76  ? 0.49493 0.49932 0.52067 -0.01116 -0.01644 -0.06364 653 VAL A CA  
298  C C   . VAL A 76  ? 0.62259 0.60929 0.64594 -0.01488 -0.03258 -0.08403 653 VAL A C   
299  O O   . VAL A 76  ? 0.66181 0.64014 0.71437 -0.02389 -0.04583 -0.08109 653 VAL A O   
300  C CB  . VAL A 76  ? 0.54842 0.56759 0.58030 -0.01638 -0.02239 -0.04677 653 VAL A CB  
301  C CG1 . VAL A 76  ? 0.49417 0.52024 0.49543 -0.01763 -0.03201 -0.05108 653 VAL A CG1 
302  C CG2 . VAL A 76  ? 0.51301 0.54067 0.54964 -0.01196 -0.00776 -0.03089 653 VAL A CG2 
303  N N   . THR A 77  ? 0.61524 0.59662 0.60396 -0.00836 -0.03147 -0.10495 654 THR A N   
304  C CA  . THR A 77  ? 0.58943 0.54642 0.56926 -0.00834 -0.04538 -0.13220 654 THR A CA  
305  C C   . THR A 77  ? 0.65939 0.61549 0.63040 -0.02079 -0.07137 -0.13763 654 THR A C   
306  O O   . THR A 77  ? 0.59738 0.57497 0.55075 -0.02405 -0.07557 -0.12526 654 THR A O   
307  C CB  . THR A 77  ? 0.73310 0.68839 0.67375 0.00642  -0.03174 -0.15463 654 THR A CB  
308  O OG1 . THR A 77  ? 0.70165 0.68074 0.60224 0.00675  -0.02739 -0.14890 654 THR A OG1 
309  C CG2 . THR A 77  ? 0.65621 0.61782 0.61548 0.01820  -0.00877 -0.14707 654 THR A CG2 
310  N N   . SER A 78  ? 0.73185 0.66160 0.71809 -0.02823 -0.09133 -0.15558 655 SER A N   
311  C CA  . SER A 78  ? 0.69223 0.62102 0.68035 -0.04338 -0.12161 -0.16084 655 SER A CA  
312  C C   . SER A 78  ? 0.77104 0.70193 0.69622 -0.03903 -0.13179 -0.18350 655 SER A C   
313  O O   . SER A 78  ? 0.89935 0.82516 0.78164 -0.02397 -0.11482 -0.20165 655 SER A O   
314  C CB  . SER A 78  ? 0.74543 0.64101 0.77001 -0.05493 -0.14216 -0.17503 655 SER A CB  
315  O OG  . SER A 78  ? 0.86640 0.72669 0.85778 -0.04636 -0.14734 -0.21347 655 SER A OG  
316  N N   . ASP A 79  ? 0.86010 0.80235 0.78027 -0.05189 -0.15978 -0.18068 656 ASP A N   
317  C CA  . ASP A 79  ? 0.93507 0.88147 0.78915 -0.04885 -0.17332 -0.19948 656 ASP A CA  
318  C C   . ASP A 79  ? 0.99000 0.89931 0.80683 -0.04399 -0.18295 -0.24468 656 ASP A C   
319  O O   . ASP A 79  ? 0.99532 0.90313 0.75170 -0.02814 -0.16731 -0.26484 656 ASP A O   
320  C CB  . ASP A 79  ? 0.94126 0.90749 0.80304 -0.06435 -0.20734 -0.18640 656 ASP A CB  
321  C CG  . ASP A 79  ? 1.06911 1.07197 0.95366 -0.06311 -0.19669 -0.14519 656 ASP A CG  
322  O OD1 . ASP A 79  ? 0.96661 0.97911 0.83486 -0.05028 -0.16601 -0.13146 656 ASP A OD1 
323  O OD2 . ASP A 79  ? 1.08495 1.10665 1.00780 -0.07481 -0.21983 -0.12682 656 ASP A OD2 
324  N N   . ASN A 80  ? 0.87493 0.75350 0.72904 -0.05721 -0.20799 -0.26103 657 ASN A N   
325  C CA  . ASN A 80  ? 0.99838 0.83324 0.81919 -0.05352 -0.22307 -0.30837 657 ASN A CA  
326  C C   . ASN A 80  ? 1.04388 0.86269 0.83831 -0.02817 -0.18770 -0.32765 657 ASN A C   
327  O O   . ASN A 80  ? 1.04424 0.85073 0.77363 -0.01312 -0.18377 -0.36288 657 ASN A O   
328  C CB  . ASN A 80  ? 1.00947 0.81021 0.89217 -0.07347 -0.25220 -0.31560 657 ASN A CB  
329  C CG  . ASN A 80  ? 1.21176 1.02154 1.10384 -0.09808 -0.29737 -0.31531 657 ASN A CG  
330  O OD1 . ASN A 80  ? 1.11862 0.96671 0.98260 -0.09987 -0.30491 -0.29937 657 ASN A OD1 
331  N ND2 . ASN A 80  ? 1.28898 1.06535 1.22392 -0.11734 -0.32690 -0.32904 657 ASN A ND2 
332  N N   . GLU A 81  ? 0.90312 0.72577 0.74667 -0.02191 -0.16113 -0.30414 658 GLU A N   
333  C CA  . GLU A 81  ? 1.01001 0.81893 0.84341 0.00189  -0.13072 -0.32020 658 GLU A CA  
334  C C   . GLU A 81  ? 0.94392 0.78964 0.72419 0.01933  -0.10092 -0.31594 658 GLU A C   
335  O O   . GLU A 81  ? 1.11742 0.95483 0.85503 0.03957  -0.08480 -0.34594 658 GLU A O   
336  C CB  . GLU A 81  ? 0.85273 0.65796 0.75390 0.00201  -0.11568 -0.29310 658 GLU A CB  
337  C CG  . GLU A 81  ? 0.87498 0.63255 0.82317 -0.00864 -0.13882 -0.30518 658 GLU A CG  
338  C CD  . GLU A 81  ? 0.86782 0.62719 0.88229 -0.01389 -0.12889 -0.26914 658 GLU A CD  
339  O OE1 . GLU A 81  ? 0.82183 0.62058 0.85139 -0.01923 -0.11639 -0.23296 658 GLU A OE1 
340  O OE2 . GLU A 81  ? 0.96462 0.68395 1.01428 -0.01206 -0.13422 -0.27699 658 GLU A OE2 
341  N N   . THR A 82  ? 1.01111 0.89762 0.79485 0.01216  -0.09258 -0.27853 659 THR A N   
342  C CA  . THR A 82  ? 0.96069 0.88207 0.69543 0.02372  -0.06849 -0.26980 659 THR A CA  
343  C C   . THR A 82  ? 1.09312 1.01069 0.75142 0.03011  -0.07786 -0.30166 659 THR A C   
344  O O   . THR A 82  ? 1.10281 1.02632 0.71835 0.04977  -0.05304 -0.32091 659 THR A O   
345  C CB  . THR A 82  ? 0.90309 0.85898 0.65118 0.01143  -0.06868 -0.22740 659 THR A CB  
346  O OG1 . THR A 82  ? 0.91914 0.88129 0.72540 0.00952  -0.05432 -0.20076 659 THR A OG1 
347  C CG2 . THR A 82  ? 1.01693 1.00485 0.71240 0.01974  -0.04886 -0.21644 659 THR A CG2 
348  N N   . LYS A 83  ? 1.17376 1.08580 0.81308 0.01409  -0.11357 -0.30620 660 LYS A N   
349  C CA  . LYS A 83  ? 1.22047 1.13052 0.77851 0.01858  -0.12749 -0.33547 660 LYS A CA  
350  C C   . LYS A 83  ? 1.27619 1.15184 0.79825 0.03806  -0.11820 -0.38658 660 LYS A C   
351  O O   . LYS A 83  ? 1.35284 1.23708 0.80691 0.05104  -0.10164 -0.40119 660 LYS A O   
352  C CB  . LYS A 83  ? 1.13764 1.03880 0.69429 -0.00339 -0.17584 -0.33871 660 LYS A CB  
353  N N   . LEU A 84  ? 1.13599 0.97194 0.71107 0.03851  -0.12356 -0.40437 661 LEU A N   
354  C CA  . LEU A 84  ? 1.20669 1.00161 0.76526 0.05212  -0.11577 -0.44232 661 LEU A CA  
355  C C   . LEU A 84  ? 1.26238 1.06854 0.82036 0.08074  -0.06922 -0.44540 661 LEU A C   
356  O O   . LEU A 84  ? 1.38015 1.16269 0.91032 0.09600  -0.05503 -0.47314 661 LEU A O   
357  C CB  . LEU A 84  ? 1.11430 0.86021 0.73630 0.03809  -0.14324 -0.45298 661 LEU A CB  
358  C CG  . LEU A 84  ? 1.25713 0.95443 0.89112 0.05206  -0.13356 -0.48262 661 LEU A CG  
359  C CD1 . LEU A 84  ? 1.28093 0.95009 0.85624 0.04894  -0.14906 -0.51752 661 LEU A CD1 
360  C CD2 . LEU A 84  ? 1.24293 0.90572 0.95981 0.03861  -0.15231 -0.47270 661 LEU A CD2 
361  N N   . PHE A 85  ? 1.25004 1.09375 0.84002 0.08815  -0.04523 -0.41775 662 PHE A N   
362  C CA  . PHE A 85  ? 1.21380 1.07723 0.81488 0.11320  -0.00194 -0.41475 662 PHE A CA  
363  C C   . PHE A 85  ? 1.23771 1.16037 0.79977 0.11895  0.02791  -0.38915 662 PHE A C   
364  O O   . PHE A 85  ? 1.48113 1.41540 0.99679 0.13239  0.05218  -0.39732 662 PHE A O   
365  C CB  . PHE A 85  ? 1.10450 0.96309 0.78996 0.11253  0.00529  -0.39103 662 PHE A CB  
366  C CG  . PHE A 85  ? 1.13198 0.93294 0.86002 0.10916  -0.01989 -0.41266 662 PHE A CG  
367  C CD1 . PHE A 85  ? 1.24144 1.00178 0.95701 0.12519  -0.01726 -0.44742 662 PHE A CD1 
368  C CD2 . PHE A 85  ? 1.07147 0.86091 0.85825 0.08555  -0.04209 -0.38378 662 PHE A CD2 
369  C CE1 . PHE A 85  ? 1.24239 0.94809 1.00213 0.11842  -0.04025 -0.45833 662 PHE A CE1 
370  C CE2 . PHE A 85  ? 1.00531 0.74326 0.83497 0.08009  -0.06435 -0.39778 662 PHE A CE2 
371  C CZ  . PHE A 85  ? 1.11136 0.80474 0.92786 0.09678  -0.06545 -0.43739 662 PHE A CZ  
372  N N   . LYS A 86  ? 1.19334 1.14787 0.78766 0.10110  0.02889  -0.34125 663 LYS A N   
373  C CA  . LYS A 86  ? 1.14627 1.15237 0.71383 0.10271  0.05578  -0.31055 663 LYS A CA  
374  C C   . LYS A 86  ? 1.30883 1.32643 0.79100 0.10182  0.04792  -0.32080 663 LYS A C   
375  O O   . LYS A 86  ? 1.49914 1.54232 0.93730 0.11464  0.07704  -0.31970 663 LYS A O   
376  C CB  . LYS A 86  ? 1.08160 1.10820 0.69986 0.08237  0.05152  -0.26136 663 LYS A CB  
377  N N   . GLY A 87  ? 1.29166 1.28905 0.75686 0.08389  0.00846  -0.32413 664 GLY A N   
378  C CA  . GLY A 87  ? 1.30231 1.31164 0.69140 0.07851  -0.00724 -0.32546 664 GLY A CA  
379  C C   . GLY A 87  ? 1.41734 1.43125 0.82866 0.05381  -0.04199 -0.29336 664 GLY A C   
380  O O   . GLY A 87  ? 1.32897 1.33210 0.81305 0.04133  -0.05319 -0.27554 664 GLY A O   
381  N N   . GLN A 88  ? 1.53468 1.56654 0.88314 0.04786  -0.05842 -0.28383 665 GLN A N   
382  C CA  . GLN A 88  ? 1.46848 1.50719 0.83950 0.02689  -0.09283 -0.25206 665 GLN A CA  
383  C C   . GLN A 88  ? 1.45711 1.51212 0.90339 0.01953  -0.07708 -0.20638 665 GLN A C   
384  O O   . GLN A 88  ? 1.45859 1.53177 0.91780 0.02809  -0.04030 -0.18921 665 GLN A O   
385  C CB  . GLN A 88  ? 1.54191 1.60667 0.83463 0.02497  -0.10499 -0.23688 665 GLN A CB  
386  N N   . VAL A 89  ? 1.25902 1.30804 0.75732 0.00376  -0.10561 -0.18822 666 VAL A N   
387  C CA  . VAL A 89  ? 1.07574 1.13648 0.64061 -0.00244 -0.09490 -0.14868 666 VAL A CA  
388  C C   . VAL A 89  ? 1.03469 1.11217 0.60157 -0.01318 -0.12065 -0.11579 666 VAL A C   
389  O O   . VAL A 89  ? 1.04965 1.12305 0.60513 -0.02143 -0.15696 -0.12553 666 VAL A O   
390  C CB  . VAL A 89  ? 0.93294 0.97137 0.57097 -0.00694 -0.09777 -0.15704 666 VAL A CB  
391  C CG1 . VAL A 89  ? 1.12649 1.14521 0.77698 -0.01847 -0.13648 -0.17754 666 VAL A CG1 
392  C CG2 . VAL A 89  ? 0.90364 0.95442 0.59923 -0.01196 -0.08843 -0.11930 666 VAL A CG2 
393  N N   . VAL A 90  ? 0.95123 1.04665 0.53600 -0.01303 -0.10383 -0.07678 667 VAL A N   
394  C CA  . VAL A 90  ? 0.90176 1.01378 0.47945 -0.01865 -0.12377 -0.04207 667 VAL A CA  
395  C C   . VAL A 90  ? 0.89549 1.00401 0.54301 -0.02609 -0.14570 -0.02748 667 VAL A C   
396  O O   . VAL A 90  ? 0.84753 0.96464 0.49504 -0.03179 -0.17892 -0.01871 667 VAL A O   
397  C CB  . VAL A 90  ? 1.04748 1.17576 0.61443 -0.01519 -0.09622 -0.00576 667 VAL A CB  
398  C CG1 . VAL A 90  ? 0.90669 1.04765 0.46901 -0.01944 -0.11776 0.03339  667 VAL A CG1 
399  C CG2 . VAL A 90  ? 1.19539 1.33579 0.69525 -0.00737 -0.07102 -0.01738 667 VAL A CG2 
400  N N   . GLN A 91  ? 0.88238 0.98170 0.58982 -0.02523 -0.12730 -0.02406 668 GLN A N   
401  C CA  . GLN A 91  ? 0.79722 0.89636 0.57176 -0.02941 -0.14032 -0.01072 668 GLN A CA  
402  C C   . GLN A 91  ? 0.76484 0.85023 0.57351 -0.03472 -0.14835 -0.03805 668 GLN A C   
403  O O   . GLN A 91  ? 0.80642 0.87612 0.60688 -0.03195 -0.13168 -0.06164 668 GLN A O   
404  C CB  . GLN A 91  ? 0.67905 0.77633 0.49337 -0.02457 -0.11502 0.01207  668 GLN A CB  
405  C CG  . GLN A 91  ? 0.71969 0.82448 0.51341 -0.02137 -0.10697 0.04262  668 GLN A CG  
406  C CD  . GLN A 91  ? 0.74740 0.84296 0.58250 -0.01805 -0.08524 0.05835  668 GLN A CD  
407  O OE1 . GLN A 91  ? 0.69010 0.77796 0.53045 -0.01740 -0.06239 0.04680  668 GLN A OE1 
408  N NE2 . GLN A 91  ? 0.78740 0.88277 0.65385 -0.01495 -0.09404 0.08320  668 GLN A NE2 
409  N N   . THR A 92  ? 0.72526 0.81804 0.57855 -0.04214 -0.17330 -0.03151 669 THR A N   
410  C CA  . THR A 92  ? 0.66458 0.74620 0.56038 -0.05023 -0.18158 -0.04998 669 THR A CA  
411  C C   . THR A 92  ? 0.57051 0.64407 0.50901 -0.04552 -0.15166 -0.04447 669 THR A C   
412  O O   . THR A 92  ? 0.60669 0.68445 0.54889 -0.03702 -0.12884 -0.02669 669 THR A O   
413  C CB  . THR A 92  ? 0.71218 0.81224 0.65600 -0.06041 -0.21311 -0.03743 669 THR A CB  
414  O OG1 . THR A 92  ? 0.66412 0.78278 0.65671 -0.05369 -0.20073 -0.00591 669 THR A OG1 
415  C CG2 . THR A 92  ? 0.69334 0.80524 0.59463 -0.06497 -0.24700 -0.03847 669 THR A CG2 
416  N N   . LEU A 93  ? 0.64031 0.70045 0.61118 -0.05222 -0.15434 -0.05943 670 LEU A N   
417  C CA  . LEU A 93  ? 0.58159 0.63629 0.59119 -0.04848 -0.12932 -0.05172 670 LEU A CA  
418  C C   . LEU A 93  ? 0.57450 0.65024 0.62065 -0.04371 -0.11984 -0.02243 670 LEU A C   
419  O O   . LEU A 93  ? 0.63726 0.71089 0.68095 -0.03445 -0.09575 -0.01338 670 LEU A O   
420  C CB  . LEU A 93  ? 0.62562 0.66637 0.67348 -0.05896 -0.13883 -0.06338 670 LEU A CB  
421  C CG  . LEU A 93  ? 0.69637 0.73034 0.77746 -0.05528 -0.11410 -0.05471 670 LEU A CG  
422  C CD1 . LEU A 93  ? 0.64109 0.65799 0.68721 -0.04352 -0.09110 -0.06704 670 LEU A CD1 
423  C CD2 . LEU A 93  ? 0.45577 0.47869 0.58145 -0.06819 -0.12607 -0.05768 670 LEU A CD2 
424  N N   . GLU A 94  ? 0.62507 0.72158 0.70686 -0.04912 -0.13964 -0.00845 671 GLU A N   
425  C CA  . GLU A 94  ? 0.58821 0.70492 0.71046 -0.04090 -0.12849 0.01704  671 GLU A CA  
426  C C   . GLU A 94  ? 0.48509 0.59905 0.57686 -0.02822 -0.11557 0.02838  671 GLU A C   
427  O O   . GLU A 94  ? 0.45601 0.56776 0.56245 -0.01831 -0.09384 0.03821  671 GLU A O   
428  C CB  . GLU A 94  ? 0.62189 0.76729 0.79028 -0.04713 -0.15396 0.03131  671 GLU A CB  
429  C CG  . GLU A 94  ? 0.70304 0.85334 0.91446 -0.06361 -0.16874 0.02463  671 GLU A CG  
430  C CD  . GLU A 94  ? 0.89780 1.02277 1.07204 -0.07714 -0.19124 -0.00405 671 GLU A CD  
431  O OE1 . GLU A 94  ? 0.81590 0.92647 0.92779 -0.07252 -0.19563 -0.01840 671 GLU A OE1 
432  O OE2 . GLU A 94  ? 0.84583 0.96453 1.05370 -0.09212 -0.20401 -0.01221 671 GLU A OE2 
433  N N   . GLU A 95  ? 0.51890 0.63159 0.56676 -0.02897 -0.12933 0.02762  672 GLU A N   
434  C CA  . GLU A 95  ? 0.47794 0.58634 0.49971 -0.01971 -0.11781 0.04267  672 GLU A CA  
435  C C   . GLU A 95  ? 0.57098 0.66071 0.57307 -0.01634 -0.08961 0.03428  672 GLU A C   
436  O O   . GLU A 95  ? 0.66310 0.74638 0.67374 -0.00916 -0.07422 0.04684  672 GLU A O   
437  C CB  . GLU A 95  ? 0.62963 0.74280 0.60237 -0.02267 -0.13701 0.04603  672 GLU A CB  
438  C CG  . GLU A 95  ? 0.65284 0.78695 0.64474 -0.02244 -0.16579 0.06561  672 GLU A CG  
439  C CD  . GLU A 95  ? 0.76962 0.91038 0.70669 -0.02870 -0.19187 0.06255  672 GLU A CD  
440  O OE1 . GLU A 95  ? 0.78476 0.91362 0.67014 -0.03287 -0.18630 0.03977  672 GLU A OE1 
441  O OE2 . GLU A 95  ? 0.74005 0.89920 0.68498 -0.02789 -0.21812 0.08273  672 GLU A OE2 
442  N N   . ARG A 96  ? 0.52649 0.60650 0.50474 -0.02099 -0.08419 0.01236  673 ARG A N   
443  C CA  . ARG A 96  ? 0.52881 0.59680 0.49468 -0.01745 -0.05946 0.00630  673 ARG A CA  
444  C C   . ARG A 96  ? 0.55032 0.61325 0.55436 -0.01434 -0.04560 0.00824  673 ARG A C   
445  O O   . ARG A 96  ? 0.54415 0.60000 0.54637 -0.01044 -0.02897 0.01203  673 ARG A O   
446  C CB  . ARG A 96  ? 0.55668 0.61739 0.49205 -0.01939 -0.05637 -0.01755 673 ARG A CB  
447  C CG  . ARG A 96  ? 0.60351 0.67028 0.48848 -0.01983 -0.06429 -0.02133 673 ARG A CG  
448  C CD  . ARG A 96  ? 0.73493 0.79355 0.58803 -0.01792 -0.06014 -0.04977 673 ARG A CD  
449  N NE  . ARG A 96  ? 0.69686 0.74383 0.55792 -0.02316 -0.08141 -0.07156 673 ARG A NE  
450  C CZ  . ARG A 96  ? 0.73225 0.76162 0.61306 -0.02257 -0.07720 -0.09097 673 ARG A CZ  
451  N NH1 . ARG A 96  ? 0.63370 0.65870 0.52911 -0.01580 -0.05359 -0.09040 673 ARG A NH1 
452  N NH2 . ARG A 96  ? 0.72566 0.74052 0.61357 -0.02965 -0.09961 -0.11029 673 ARG A NH2 
453  N N   . THR A 97  ? 0.50962 0.57752 0.54778 -0.01693 -0.05262 0.00678  674 THR A N   
454  C CA  . THR A 97  ? 0.46658 0.53314 0.53453 -0.01288 -0.03719 0.01115  674 THR A CA  
455  C C   . THR A 97  ? 0.49859 0.56968 0.58119 -0.00347 -0.02980 0.02689  674 THR A C   
456  O O   . THR A 97  ? 0.52021 0.58272 0.60360 0.00253  -0.01356 0.02701  674 THR A O   
457  C CB  . THR A 97  ? 0.49430 0.56845 0.59768 -0.01919 -0.04428 0.01027  674 THR A CB  
458  O OG1 . THR A 97  ? 0.47441 0.53504 0.56490 -0.02672 -0.05124 -0.00719 674 THR A OG1 
459  C CG2 . THR A 97  ? 0.36791 0.44496 0.49622 -0.01402 -0.02580 0.01845  674 THR A CG2 
460  N N   . GLU A 98  ? 0.45835 0.54047 0.55032 -0.00094 -0.04303 0.03914  675 GLU A N   
461  C CA  . GLU A 98  ? 0.61192 0.69581 0.72553 0.01144  -0.03602 0.05286  675 GLU A CA  
462  C C   . GLU A 98  ? 0.57532 0.63701 0.66308 0.01585  -0.02608 0.05440  675 GLU A C   
463  O O   . GLU A 98  ? 0.63474 0.68487 0.73165 0.02507  -0.01299 0.05432  675 GLU A O   
464  C CB  . GLU A 98  ? 0.50093 0.60396 0.63836 0.01470  -0.05499 0.06839  675 GLU A CB  
465  C CG  . GLU A 98  ? 0.68110 0.80297 0.86912 0.02626  -0.04798 0.07807  675 GLU A CG  
466  C CD  . GLU A 98  ? 0.84030 0.96500 1.04729 0.04137  -0.05290 0.09488  675 GLU A CD  
467  O OE1 . GLU A 98  ? 0.94379 1.08035 1.15307 0.03851  -0.07622 0.10725  675 GLU A OE1 
468  O OE2 . GLU A 98  ? 0.83367 0.94686 1.05173 0.05713  -0.03480 0.09518  675 GLU A OE2 
469  N N   . THR A 99  ? 0.59837 0.65407 0.65374 0.00891  -0.03214 0.05578  676 THR A N   
470  C CA  . THR A 99  ? 0.62989 0.66681 0.66703 0.00892  -0.02266 0.06004  676 THR A CA  
471  C C   . THR A 99  ? 0.60563 0.63070 0.64339 0.00878  -0.00661 0.04662  676 THR A C   
472  O O   . THR A 99  ? 0.66113 0.66856 0.70318 0.01299  -0.00008 0.04817  676 THR A O   
473  C CB  . THR A 99  ? 0.55100 0.59150 0.55295 0.00001  -0.02681 0.06373  676 THR A CB  
474  O OG1 . THR A 99  ? 0.63152 0.68380 0.62769 0.00054  -0.04492 0.07695  676 THR A OG1 
475  C CG2 . THR A 99  ? 0.63287 0.65852 0.62405 -0.00305 -0.01762 0.07426  676 THR A CG2 
476  N N   . LEU A 100 ? 0.63287 0.66514 0.66652 0.00417  -0.00253 0.03316  677 LEU A N   
477  C CA  . LEU A 100 ? 0.47983 0.50388 0.51311 0.00423  0.00948  0.02323  677 LEU A CA  
478  C C   . LEU A 100 ? 0.57300 0.59096 0.62250 0.01362  0.01624  0.02264  677 LEU A C   
479  O O   . LEU A 100 ? 0.57916 0.58592 0.62162 0.01466  0.02353  0.01579  677 LEU A O   
480  C CB  . LEU A 100 ? 0.56885 0.60091 0.60047 0.00001  0.01059  0.01223  677 LEU A CB  
481  C CG  . LEU A 100 ? 0.49847 0.53408 0.50839 -0.00555 0.00917  0.00734  677 LEU A CG  
482  C CD1 . LEU A 100 ? 0.59367 0.63171 0.60463 -0.00682 0.00800  -0.00613 677 LEU A CD1 
483  C CD2 . LEU A 100 ? 0.49747 0.52879 0.50014 -0.00763 0.01843  0.00909  677 LEU A CD2 
484  N N   . LYS A 101 ? 0.55597 0.58353 0.62666 0.02125  0.01390  0.02929  678 LYS A N   
485  C CA  . LYS A 101 ? 0.66530 0.69126 0.75038 0.03387  0.02474  0.02809  678 LYS A CA  
486  C C   . LYS A 101 ? 0.61069 0.61104 0.68730 0.04186  0.02775  0.02553  678 LYS A C   
487  O O   . LYS A 101 ? 0.67197 0.66397 0.74796 0.05301  0.03841  0.01735  678 LYS A O   
488  C CB  . LYS A 101 ? 0.51963 0.56796 0.63809 0.04175  0.02279  0.03843  678 LYS A CB  
489  C CG  . LYS A 101 ? 0.60581 0.67767 0.74186 0.03299  0.01957  0.04085  678 LYS A CG  
490  C CD  . LYS A 101 ? 0.58264 0.68161 0.76014 0.03785  0.01329  0.05419  678 LYS A CD  
491  C CE  . LYS A 101 ? 0.55141 0.67144 0.75205 0.02416  0.00398  0.05753  678 LYS A CE  
492  N NZ  . LYS A 101 ? 0.69541 0.84555 0.94126 0.02511  -0.00861 0.07188  678 LYS A NZ  
493  N N   . HIS A 102 ? 0.54809 0.53438 0.61736 0.03667  0.01861  0.03253  679 HIS A N   
494  C CA  . HIS A 102 ? 0.55976 0.51570 0.62671 0.04220  0.01865  0.03149  679 HIS A CA  
495  C C   . HIS A 102 ? 0.54745 0.48521 0.59491 0.02947  0.01820  0.02397  679 HIS A C   
496  O O   . HIS A 102 ? 0.59204 0.50044 0.63906 0.02949  0.01488  0.02275  679 HIS A O   
497  C CB  . HIS A 102 ? 0.57040 0.52026 0.64907 0.04473  0.00778  0.05003  679 HIS A CB  
498  C CG  . HIS A 102 ? 0.59748 0.56747 0.70310 0.05845  0.00516  0.05890  679 HIS A CG  
499  N ND1 . HIS A 102 ? 0.60762 0.56567 0.73696 0.07800  0.00809  0.06100  679 HIS A ND1 
500  C CD2 . HIS A 102 ? 0.59961 0.60222 0.71678 0.05561  -0.00096 0.06549  679 HIS A CD2 
501  C CE1 . HIS A 102 ? 0.52757 0.51584 0.68588 0.08689  0.00486  0.07137  679 HIS A CE1 
502  N NE2 . HIS A 102 ? 0.51004 0.52507 0.66150 0.07172  -0.00233 0.07435  679 HIS A NE2 
503  N N   . ILE A 103 ? 0.56617 0.52002 0.60245 0.01885  0.02025  0.01906  680 ILE A N   
504  C CA  . ILE A 103 ? 0.53368 0.47978 0.56001 0.00584  0.01852  0.01592  680 ILE A CA  
505  C C   . ILE A 103 ? 0.62779 0.56321 0.64585 0.00852  0.02093  -0.00059 680 ILE A C   
506  O O   . ILE A 103 ? 0.55149 0.50105 0.56486 0.01411  0.02670  -0.00719 680 ILE A O   
507  C CB  . ILE A 103 ? 0.57404 0.54495 0.59525 -0.00402 0.01976  0.01972  680 ILE A CB  
508  C CG1 . ILE A 103 ? 0.60004 0.57974 0.61890 -0.00645 0.01598  0.03479  680 ILE A CG1 
509  C CG2 . ILE A 103 ? 0.58359 0.55501 0.60345 -0.01563 0.02001  0.01794  680 ILE A CG2 
510  C CD1 . ILE A 103 ? 0.54449 0.50396 0.56798 -0.00798 0.01067  0.04981  680 ILE A CD1 
511  N N   . ARG A 104 ? 0.62953 0.53850 0.64503 0.00368  0.01476  -0.00613 681 ARG A N   
512  C CA  . ARG A 104 ? 0.57920 0.47224 0.58007 0.00687  0.01284  -0.02474 681 ARG A CA  
513  C C   . ARG A 104 ? 0.63591 0.55269 0.62735 0.00247  0.01406  -0.02907 681 ARG A C   
514  O O   . ARG A 104 ? 0.68067 0.59582 0.65422 0.01061  0.01638  -0.04086 681 ARG A O   
515  C CB  . ARG A 104 ? 0.64999 0.51150 0.65341 -0.00474 0.00018  -0.02936 681 ARG A CB  
516  C CG  . ARG A 104 ? 0.65718 0.49720 0.64039 -0.00308 -0.00720 -0.05226 681 ARG A CG  
517  C CD  . ARG A 104 ? 0.59427 0.40676 0.58678 -0.02118 -0.02461 -0.05563 681 ARG A CD  
518  N NE  . ARG A 104 ? 0.69998 0.47775 0.70915 -0.02190 -0.02878 -0.04875 681 ARG A NE  
519  C CZ  . ARG A 104 ? 0.81703 0.55435 0.81821 -0.00647 -0.03003 -0.06448 681 ARG A CZ  
520  N NH1 . ARG A 104 ? 0.76765 0.49925 0.74081 0.01296  -0.02320 -0.08812 681 ARG A NH1 
521  N NH2 . ARG A 104 ? 0.81044 0.51228 0.83248 -0.00922 -0.03705 -0.05509 681 ARG A NH2 
522  N N   . TRP A 105 ? 0.53430 0.47346 0.53631 -0.00853 0.01324  -0.01903 682 TRP A N   
523  C CA  . TRP A 105 ? 0.64392 0.60135 0.64282 -0.01222 0.01147  -0.02231 682 TRP A CA  
524  C C   . TRP A 105 ? 0.64524 0.62129 0.64176 -0.00312 0.01999  -0.01997 682 TRP A C   
525  O O   . TRP A 105 ? 0.58213 0.56916 0.57490 -0.00299 0.01824  -0.02113 682 TRP A O   
526  C CB  . TRP A 105 ? 0.48961 0.46448 0.50620 -0.02554 0.00855  -0.01359 682 TRP A CB  
527  C CG  . TRP A 105 ? 0.54225 0.50259 0.56960 -0.03746 0.00253  -0.00797 682 TRP A CG  
528  C CD1 . TRP A 105 ? 0.46473 0.42912 0.50195 -0.04293 0.00724  0.00660  682 TRP A CD1 
529  C CD2 . TRP A 105 ? 0.50078 0.43715 0.52932 -0.04644 -0.01092 -0.01565 682 TRP A CD2 
530  N NE1 . TRP A 105 ? 0.56361 0.50874 0.61277 -0.05563 -0.00096 0.01263  682 TRP A NE1 
531  C CE2 . TRP A 105 ? 0.56409 0.48970 0.61021 -0.05865 -0.01337 -0.00265 682 TRP A CE2 
532  C CE3 . TRP A 105 ? 0.58272 0.50455 0.59673 -0.04605 -0.02276 -0.03236 682 TRP A CE3 
533  C CZ2 . TRP A 105 ? 0.58487 0.48257 0.64138 -0.07212 -0.02821 -0.00600 682 TRP A CZ2 
534  C CZ3 . TRP A 105 ? 0.62318 0.51687 0.64189 -0.05858 -0.03912 -0.04000 682 TRP A CZ3 
535  C CH2 . TRP A 105 ? 0.59007 0.47061 0.63315 -0.07214 -0.04209 -0.02697 682 TRP A CH2 
536  N N   . VAL A 106 ? 0.58343 0.56342 0.58573 0.00319  0.02682  -0.01460 683 VAL A N   
537  C CA  . VAL A 106 ? 0.46007 0.45662 0.46800 0.00774  0.03245  -0.01047 683 VAL A CA  
538  C C   . VAL A 106 ? 0.56712 0.56303 0.56582 0.01754  0.03909  -0.01237 683 VAL A C   
539  O O   . VAL A 106 ? 0.75183 0.73997 0.74822 0.02625  0.04424  -0.01478 683 VAL A O   
540  C CB  . VAL A 106 ? 0.54491 0.54819 0.56502 0.00806  0.03316  -0.00400 683 VAL A CB  
541  C CG1 . VAL A 106 ? 0.49728 0.51375 0.52871 0.01092  0.03627  -0.00029 683 VAL A CG1 
542  C CG2 . VAL A 106 ? 0.52298 0.53164 0.54369 -0.00009 0.02958  -0.00208 683 VAL A CG2 
543  N N   . ASP A 107 ? 0.59259 0.59807 0.58659 0.01780  0.04036  -0.00957 684 ASP A N   
544  C CA  . ASP A 107 ? 0.44757 0.45792 0.42962 0.02688  0.04972  -0.00682 684 ASP A CA  
545  C C   . ASP A 107 ? 0.56343 0.59067 0.56768 0.02799  0.05782  0.00672  684 ASP A C   
546  O O   . ASP A 107 ? 0.47739 0.51389 0.48509 0.03612  0.06968  0.01181  684 ASP A O   
547  C CB  . ASP A 107 ? 0.54137 0.55276 0.50162 0.02631  0.04510  -0.00712 684 ASP A CB  
548  C CG  . ASP A 107 ? 0.68986 0.68637 0.63280 0.02185  0.03236  -0.02066 684 ASP A CG  
549  O OD1 . ASP A 107 ? 0.71655 0.69549 0.65087 0.02438  0.03202  -0.03236 684 ASP A OD1 
550  O OD2 . ASP A 107 ? 0.60672 0.60864 0.54950 0.01543  0.02109  -0.01884 684 ASP A OD2 
551  N N   . GLU A 108 ? 0.57280 0.60460 0.59530 0.02012  0.05180  0.01226  685 GLU A N   
552  C CA  . GLU A 108 ? 0.48104 0.52424 0.52883 0.01766  0.05514  0.02412  685 GLU A CA  
553  C C   . GLU A 108 ? 0.53224 0.57134 0.59624 0.00999  0.04465  0.01922  685 GLU A C   
554  O O   . GLU A 108 ? 0.52320 0.55471 0.57776 0.00786  0.03862  0.01001  685 GLU A O   
555  C CB  . GLU A 108 ? 0.44221 0.49065 0.49057 0.01702  0.05860  0.03755  685 GLU A CB  
556  C CG  . GLU A 108 ? 0.52775 0.58037 0.54636 0.02539  0.06784  0.04044  685 GLU A CG  
557  C CD  . GLU A 108 ? 0.68237 0.74345 0.69815 0.02501  0.07210  0.05993  685 GLU A CD  
558  O OE1 . GLU A 108 ? 0.62346 0.68049 0.66153 0.01801  0.06433  0.06951  685 GLU A OE1 
559  O OE2 . GLU A 108 ? 0.70040 0.77082 0.68955 0.03281  0.08357  0.06590  685 GLU A OE2 
560  N N   . ILE A 109 ? 0.46992 0.51630 0.55847 0.00576  0.04251  0.02523  686 ILE A N   
561  C CA  . ILE A 109 ? 0.42668 0.46817 0.52446 -0.00105 0.03045  0.01735  686 ILE A CA  
562  C C   . ILE A 109 ? 0.46546 0.50584 0.58983 -0.00873 0.02463  0.02332  686 ILE A C   
563  O O   . ILE A 109 ? 0.50347 0.55651 0.65128 -0.01131 0.02911  0.03809  686 ILE A O   
564  C CB  . ILE A 109 ? 0.47314 0.52183 0.57432 -0.00063 0.02595  0.01629  686 ILE A CB  
565  C CG1 . ILE A 109 ? 0.49656 0.53908 0.57445 0.00530  0.02942  0.01145  686 ILE A CG1 
566  C CG2 . ILE A 109 ? 0.50028 0.54586 0.60479 -0.00809 0.01139  0.00843  686 ILE A CG2 
567  C CD1 . ILE A 109 ? 0.53313 0.57972 0.61479 0.00692  0.02335  0.01416  686 ILE A CD1 
568  N N   . ILE A 110 ? 0.52615 0.55121 0.64957 -0.01206 0.01552  0.01216  687 ILE A N   
569  C CA  . ILE A 110 ? 0.43050 0.44545 0.57972 -0.02096 0.00438  0.01175  687 ILE A CA  
570  C C   . ILE A 110 ? 0.51017 0.52059 0.65254 -0.02536 -0.00990 -0.00556 687 ILE A C   
571  O O   . ILE A 110 ? 0.55550 0.55744 0.67142 -0.02030 -0.01107 -0.02238 687 ILE A O   
572  C CB  . ILE A 110 ? 0.47318 0.46828 0.62658 -0.01889 0.00320  0.00957  687 ILE A CB  
573  C CG1 . ILE A 110 ? 0.52577 0.52792 0.68286 -0.01551 0.01433  0.03099  687 ILE A CG1 
574  C CG2 . ILE A 110 ? 0.55378 0.52953 0.73480 -0.02863 -0.01115 0.00547  687 ILE A CG2 
575  C CD1 . ILE A 110 ? 0.49978 0.48673 0.65547 -0.00919 0.01317  0.03117  687 ILE A CD1 
576  N N   . SER A 111 ? 0.51047 0.53032 0.67673 -0.03477 -0.02082 -0.00007 688 SER A N   
577  C CA  . SER A 111 ? 0.44817 0.46836 0.60577 -0.03990 -0.03835 -0.01364 688 SER A CA  
578  C C   . SER A 111 ? 0.54581 0.56455 0.74084 -0.05509 -0.05781 -0.01176 688 SER A C   
579  O O   . SER A 111 ? 0.49397 0.53508 0.72655 -0.06117 -0.05697 0.00858  688 SER A O   
580  C CB  . SER A 111 ? 0.47143 0.51355 0.61913 -0.03462 -0.03504 -0.00531 688 SER A CB  
581  O OG  . SER A 111 ? 0.52136 0.56459 0.65194 -0.03816 -0.05292 -0.01614 688 SER A OG  
582  N N   . PRO A 112 ? 0.56472 0.55818 0.75317 -0.06160 -0.07579 -0.03323 689 PRO A N   
583  C CA  . PRO A 112 ? 0.53927 0.50935 0.68557 -0.05175 -0.07399 -0.05888 689 PRO A CA  
584  C C   . PRO A 112 ? 0.59495 0.54321 0.74933 -0.04521 -0.06224 -0.05977 689 PRO A C   
585  O O   . PRO A 112 ? 0.54777 0.48705 0.74012 -0.05319 -0.06475 -0.04587 689 PRO A O   
586  C CB  . PRO A 112 ? 0.50251 0.45466 0.64061 -0.06112 -0.10071 -0.08318 689 PRO A CB  
587  C CG  . PRO A 112 ? 0.56315 0.51362 0.75707 -0.07919 -0.11656 -0.06951 689 PRO A CG  
588  C CD  . PRO A 112 ? 0.45797 0.44543 0.68174 -0.07934 -0.10079 -0.03558 689 PRO A CD  
589  N N   . CYS A 113 ? 0.57800 0.52048 0.70032 -0.03077 -0.04956 -0.07291 690 CYS A N   
590  C CA  . CYS A 113 ? 0.51582 0.44061 0.64734 -0.02161 -0.04020 -0.07382 690 CYS A CA  
591  C C   . CYS A 113 ? 0.57797 0.46946 0.70340 -0.01697 -0.05054 -0.10307 690 CYS A C   
592  O O   . CYS A 113 ? 0.65966 0.54579 0.75673 -0.01702 -0.06007 -0.12710 690 CYS A O   
593  C CB  . CYS A 113 ? 0.67329 0.61563 0.78299 -0.00821 -0.02091 -0.06963 690 CYS A CB  
594  S SG  . CYS A 113 ? 0.65641 0.60389 0.72286 0.00290  -0.01486 -0.09539 690 CYS A SG  
595  N N   . PRO A 114 ? 0.62359 0.49069 0.77254 -0.01101 -0.04903 -0.10238 691 PRO A N   
596  C CA  . PRO A 114 ? 0.63123 0.46228 0.77438 -0.00121 -0.05616 -0.13387 691 PRO A CA  
597  C C   . PRO A 114 ? 0.67991 0.52362 0.78144 0.01739  -0.04120 -0.15655 691 PRO A C   
598  O O   . PRO A 114 ? 0.69047 0.56620 0.78074 0.02437  -0.02355 -0.14271 691 PRO A O   
599  C CB  . PRO A 114 ? 0.57627 0.38474 0.75793 0.00474  -0.05375 -0.11921 691 PRO A CB  
600  C CG  . PRO A 114 ? 0.49938 0.32775 0.70807 -0.00962 -0.05200 -0.07976 691 PRO A CG  
601  C CD  . PRO A 114 ? 0.60623 0.47635 0.78641 -0.01137 -0.04126 -0.07230 691 PRO A CD  
602  N N   . TRP A 115 ? 0.67533 0.49325 0.75443 0.02524  -0.04825 -0.19222 692 TRP A N   
603  C CA  . TRP A 115 ? 0.71784 0.55086 0.75625 0.04427  -0.03063 -0.21381 692 TRP A CA  
604  C C   . TRP A 115 ? 0.84582 0.68551 0.90495 0.06486  -0.00993 -0.20835 692 TRP A C   
605  O O   . TRP A 115 ? 0.79876 0.67496 0.84413 0.07406  0.01022  -0.20059 692 TRP A O   
606  C CB  . TRP A 115 ? 0.82001 0.62208 0.82417 0.05003  -0.04254 -0.25651 692 TRP A CB  
607  C CG  . TRP A 115 ? 0.96452 0.78923 0.91777 0.06840  -0.02222 -0.27707 692 TRP A CG  
608  C CD1 . TRP A 115 ? 0.86958 0.68316 0.80925 0.09397  -0.00585 -0.30601 692 TRP A CD1 
609  C CD2 . TRP A 115 ? 0.99774 0.86261 0.90904 0.06361  -0.01387 -0.26724 692 TRP A CD2 
610  N NE1 . TRP A 115 ? 0.95442 0.80317 0.84476 0.10448  0.01433  -0.31393 692 TRP A NE1 
611  C CE2 . TRP A 115 ? 1.00203 0.88097 0.87394 0.08500  0.00872  -0.28888 692 TRP A CE2 
612  C CE3 . TRP A 115 ? 0.88666 0.77677 0.79226 0.04460  -0.02257 -0.24086 692 TRP A CE3 
613  C CZ2 . TRP A 115 ? 1.02837 0.94589 0.85453 0.08510  0.02237  -0.28132 692 TRP A CZ2 
614  C CZ3 . TRP A 115 ? 0.88097 0.80424 0.74295 0.04598  -0.01150 -0.23500 692 TRP A CZ3 
615  C CH2 . TRP A 115 ? 0.92325 0.86006 0.74534 0.06466  0.01050  -0.25339 692 TRP A CH2 
616  N N   . VAL A 116 ? 0.79499 0.60099 0.89215 0.07146  -0.01614 -0.20939 693 VAL A N   
617  C CA  . VAL A 116 ? 0.78114 0.59256 0.90453 0.09280  -0.00048 -0.20316 693 VAL A CA  
618  C C   . VAL A 116 ? 0.77072 0.58571 0.93567 0.08421  -0.00525 -0.16420 693 VAL A C   
619  O O   . VAL A 116 ? 0.72669 0.51180 0.91647 0.07097  -0.02196 -0.15301 693 VAL A O   
620  C CB  . VAL A 116 ? 0.86563 0.63378 0.99918 0.11424  -0.00223 -0.23631 693 VAL A CB  
621  C CG1 . VAL A 116 ? 0.85306 0.64271 1.00882 0.14105  0.01897  -0.23205 693 VAL A CG1 
622  C CG2 . VAL A 116 ? 0.90870 0.66126 0.99273 0.11845  -0.00464 -0.27951 693 VAL A CG2 
623  N N   . VAL A 117 ? 0.75138 0.60349 0.92414 0.09167  0.00895  -0.14318 694 VAL A N   
624  C CA  . VAL A 117 ? 0.67631 0.53520 0.87978 0.08684  0.00478  -0.10767 694 VAL A CA  
625  C C   . VAL A 117 ? 0.77705 0.60167 1.01973 0.10191  -0.00184 -0.10621 694 VAL A C   
626  O O   . VAL A 117 ? 0.72501 0.54054 0.97609 0.12467  0.00554  -0.12887 694 VAL A O   
627  C CB  . VAL A 117 ? 0.69376 0.60001 0.89242 0.09057  0.01768  -0.09068 694 VAL A CB  
628  C CG1 . VAL A 117 ? 0.68952 0.60209 0.91223 0.08737  0.01091  -0.05700 694 VAL A CG1 
629  C CG2 . VAL A 117 ? 0.54771 0.48032 0.71159 0.07532  0.02247  -0.08981 694 VAL A CG2 
630  N N   . THR A 118 ? 0.72889 0.53444 0.99719 0.09049  -0.01466 -0.07798 695 THR A N   
631  C CA  . THR A 118 ? 0.70849 0.47748 1.01820 0.10163  -0.02412 -0.06732 695 THR A CA  
632  C C   . THR A 118 ? 0.68542 0.47514 1.01280 0.09923  -0.02643 -0.02331 695 THR A C   
633  O O   . THR A 118 ? 0.65560 0.47257 0.96411 0.08194  -0.02501 -0.00114 695 THR A O   
634  C CB  . THR A 118 ? 0.72303 0.43943 1.05079 0.08749  -0.04135 -0.07179 695 THR A CB  
635  O OG1 . THR A 118 ? 0.77229 0.49948 1.10353 0.06192  -0.04734 -0.03760 695 THR A OG1 
636  C CG2 . THR A 118 ? 0.83276 0.52949 1.13384 0.08451  -0.04457 -0.11584 695 THR A CG2 
637  N N   . PRO A 119 ? 0.71419 0.49046 1.07636 0.11767  -0.03088 -0.01008 696 PRO A N   
638  C CA  . PRO A 119 ? 0.71714 0.50950 1.09254 0.11454  -0.03741 0.03480  696 PRO A CA  
639  C C   . PRO A 119 ? 0.71979 0.50354 1.08877 0.08904  -0.04374 0.06377  696 PRO A C   
640  O O   . PRO A 119 ? 0.73489 0.55185 1.08448 0.08003  -0.04155 0.09199  696 PRO A O   
641  C CB  . PRO A 119 ? 0.61215 0.37262 1.03420 0.13748  -0.04625 0.04274  696 PRO A CB  
642  C CG  . PRO A 119 ? 0.63364 0.37988 1.06237 0.15909  -0.03763 -0.00230 696 PRO A CG  
643  C CD  . PRO A 119 ? 0.73876 0.47792 1.13066 0.14242  -0.03240 -0.03446 696 PRO A CD  
644  N N   . GLU A 120 ? 0.66883 0.41012 1.05457 0.07715  -0.05152 0.05709  697 GLU A N   
645  C CA  . GLU A 120 ? 0.69070 0.43055 1.07832 0.05153  -0.05512 0.08692  697 GLU A CA  
646  C C   . GLU A 120 ? 0.67111 0.45547 1.01891 0.03723  -0.04370 0.08476  697 GLU A C   
647  O O   . GLU A 120 ? 0.74979 0.55840 1.08782 0.02539  -0.03907 0.11724  697 GLU A O   
648  C CB  . GLU A 120 ? 0.71671 0.40622 1.13387 0.03808  -0.06768 0.07508  697 GLU A CB  
649  C CG  . GLU A 120 ? 0.82543 0.46202 1.28958 0.04629  -0.08155 0.08857  697 GLU A CG  
650  C CD  . GLU A 120 ? 0.94948 0.56227 1.42157 0.07639  -0.08228 0.05322  697 GLU A CD  
651  O OE1 . GLU A 120 ? 0.83428 0.47665 1.27364 0.08834  -0.07030 0.02020  697 GLU A OE1 
652  O OE2 . GLU A 120 ? 0.98864 0.56588 1.48947 0.08646  -0.09131 0.05844  697 GLU A OE2 
653  N N   . PHE A 121 ? 0.58245 0.37672 0.90633 0.03919  -0.03847 0.04733  698 PHE A N   
654  C CA  . PHE A 121 ? 0.55424 0.38730 0.84332 0.02823  -0.02870 0.04482  698 PHE A CA  
655  C C   . PHE A 121 ? 0.67244 0.54323 0.94004 0.03329  -0.02041 0.06657  698 PHE A C   
656  O O   . PHE A 121 ? 0.63994 0.53402 0.88999 0.02221  -0.01449 0.08489  698 PHE A O   
657  C CB  . PHE A 121 ? 0.60162 0.43887 0.86756 0.03353  -0.02506 0.00454  698 PHE A CB  
658  C CG  . PHE A 121 ? 0.54725 0.41795 0.78130 0.02300  -0.01738 0.00099  698 PHE A CG  
659  C CD1 . PHE A 121 ? 0.63314 0.50306 0.86927 0.00544  -0.02207 0.00302  698 PHE A CD1 
660  C CD2 . PHE A 121 ? 0.55521 0.45694 0.76276 0.03085  -0.00702 -0.00478 698 PHE A CD2 
661  C CE1 . PHE A 121 ? 0.47436 0.37351 0.68546 -0.00100 -0.01574 0.00017  698 PHE A CE1 
662  C CE2 . PHE A 121 ? 0.70914 0.63524 0.89048 0.02236  -0.00121 -0.00757 698 PHE A CE2 
663  C CZ  . PHE A 121 ? 0.61898 0.54323 0.80145 0.00804  -0.00521 -0.00523 698 PHE A CZ  
664  N N   . LEU A 122 ? 0.64043 0.51790 0.91107 0.05079  -0.02083 0.06419  699 LEU A N   
665  C CA  . LEU A 122 ? 0.60289 0.51502 0.85395 0.05477  -0.01831 0.08142  699 LEU A CA  
666  C C   . LEU A 122 ? 0.66737 0.58349 0.91495 0.04721  -0.02155 0.12044  699 LEU A C   
667  O O   . LEU A 122 ? 0.56748 0.51105 0.78288 0.04158  -0.01671 0.13148  699 LEU A O   
668  C CB  . LEU A 122 ? 0.74523 0.66349 1.01456 0.07462  -0.02194 0.07563  699 LEU A CB  
669  C CG  . LEU A 122 ? 0.64700 0.59289 0.90318 0.08068  -0.01348 0.04945  699 LEU A CG  
670  C CD1 . LEU A 122 ? 0.79646 0.77312 1.01886 0.06869  -0.01136 0.05786  699 LEU A CD1 
671  C CD2 . LEU A 122 ? 0.53320 0.46678 0.78148 0.07923  -0.00498 0.01695  699 LEU A CD2 
672  N N   . GLU A 123 ? 0.66939 0.55714 0.94824 0.04793  -0.02947 0.14221  700 GLU A N   
673  C CA  . GLU A 123 ? 0.70181 0.59534 0.97580 0.03971  -0.03027 0.18421  700 GLU A CA  
674  C C   . GLU A 123 ? 0.80167 0.70719 1.06021 0.02135  -0.01865 0.19008  700 GLU A C   
675  O O   . GLU A 123 ? 0.83630 0.77153 1.06114 0.01770  -0.00988 0.20644  700 GLU A O   
676  C CB  . GLU A 123 ? 0.74847 0.60515 1.06526 0.04246  -0.04150 0.20984  700 GLU A CB  
677  C CG  . GLU A 123 ? 1.00477 0.87132 1.31455 0.03754  -0.04311 0.26055  700 GLU A CG  
678  C CD  . GLU A 123 ? 1.19130 1.08630 1.47416 0.05161  -0.04991 0.27505  700 GLU A CD  
679  O OE1 . GLU A 123 ? 1.10670 0.99352 1.41274 0.06885  -0.06178 0.26741  700 GLU A OE1 
680  O OE2 . GLU A 123 ? 1.24051 1.16730 1.47952 0.04611  -0.04404 0.29311  700 GLU A OE2 
681  N N   . LYS A 124 ? 0.77125 0.65520 1.05443 0.01074  -0.01908 0.17485  701 LYS A N   
682  C CA  . LYS A 124 ? 0.63456 0.53203 0.91789 -0.00707 -0.00992 0.18526  701 LYS A CA  
683  C C   . LYS A 124 ? 0.69706 0.63415 0.93720 -0.00626 0.00400  0.17705  701 LYS A C   
684  O O   . LYS A 124 ? 0.70224 0.66224 0.93359 -0.01418 0.01616  0.19889  701 LYS A O   
685  C CB  . LYS A 124 ? 0.64044 0.51255 0.95329 -0.01785 -0.01754 0.16041  701 LYS A CB  
686  C CG  . LYS A 124 ? 0.66001 0.54968 0.98572 -0.03728 -0.01123 0.17218  701 LYS A CG  
687  C CD  . LYS A 124 ? 0.64052 0.51701 0.97849 -0.04553 -0.02121 0.13762  701 LYS A CD  
688  C CE  . LYS A 124 ? 0.68073 0.57598 1.04609 -0.06607 -0.01921 0.15377  701 LYS A CE  
689  N NZ  . LYS A 124 ? 0.73232 0.62029 1.10452 -0.07420 -0.03256 0.12056  701 LYS A NZ  
690  N N   . TYR A 125 ? 0.62563 0.57109 0.84086 0.00370  0.00358  0.14667  702 TYR A N   
691  C CA  . TYR A 125 ? 0.63965 0.61478 0.81669 0.00470  0.01421  0.13684  702 TYR A CA  
692  C C   . TYR A 125 ? 0.62449 0.61593 0.76821 0.01503  0.01301  0.14173  702 TYR A C   
693  O O   . TYR A 125 ? 0.54280 0.55182 0.65484 0.01678  0.01830  0.12794  702 TYR A O   
694  C CB  . TYR A 125 ? 0.66846 0.64263 0.84148 0.00432  0.01389  0.10200  702 TYR A CB  
695  C CG  . TYR A 125 ? 0.51636 0.48063 0.71434 -0.00752 0.01204  0.09501  702 TYR A CG  
696  C CD1 . TYR A 125 ? 0.63565 0.62009 0.83308 -0.01587 0.02070  0.10241  702 TYR A CD1 
697  C CD2 . TYR A 125 ? 0.57935 0.51449 0.80259 -0.00930 0.00012  0.07944  702 TYR A CD2 
698  C CE1 . TYR A 125 ? 0.52323 0.50280 0.74948 -0.02809 0.01477  0.09771  702 TYR A CE1 
699  C CE2 . TYR A 125 ? 0.58783 0.51283 0.83231 -0.02190 -0.00680 0.07133  702 TYR A CE2 
700  C CZ  . TYR A 125 ? 0.59104 0.53996 0.83910 -0.03241 -0.00090 0.08175  702 TYR A CZ  
701  O OH  . TYR A 125 ? 0.76624 0.70769 1.04075 -0.04612 -0.01218 0.07415  702 TYR A OH  
702  N N   . LYS A 126 ? 0.62484 0.60923 0.77701 0.02157  0.00346  0.16118  703 LYS A N   
703  C CA  . LYS A 126 ? 0.69143 0.69356 0.81353 0.02970  -0.00274 0.16984  703 LYS A CA  
704  C C   . LYS A 126 ? 0.64454 0.65757 0.75447 0.03468  -0.00708 0.13965  703 LYS A C   
705  O O   . LYS A 126 ? 0.63802 0.66890 0.71329 0.03516  -0.00893 0.13589  703 LYS A O   
706  C CB  . LYS A 126 ? 0.78252 0.80485 0.86351 0.02624  0.00718  0.18892  703 LYS A CB  
707  C CG  . LYS A 126 ? 0.92003 0.95352 0.97405 0.03261  -0.00295 0.21440  703 LYS A CG  
708  C CD  . LYS A 126 ? 1.06974 1.12384 1.06933 0.03564  -0.00457 0.19936  703 LYS A CD  
709  C CE  . LYS A 126 ? 0.96832 1.02475 0.97467 0.03972  -0.02196 0.17508  703 LYS A CE  
710  N NZ  . LYS A 126 ? 0.90333 0.97365 0.86246 0.03916  -0.02730 0.15695  703 LYS A NZ  
711  N N   . ILE A 127 ? 0.51150 0.51333 0.64974 0.03804  -0.00886 0.11825  704 ILE A N   
712  C CA  . ILE A 127 ? 0.54692 0.56157 0.67985 0.04074  -0.00918 0.09256  704 ILE A CA  
713  C C   . ILE A 127 ? 0.57619 0.60394 0.72245 0.05070  -0.02175 0.09829  704 ILE A C   
714  O O   . ILE A 127 ? 0.54715 0.56502 0.72364 0.06029  -0.02862 0.11040  704 ILE A O   
715  C CB  . ILE A 127 ? 0.52852 0.53002 0.68043 0.04077  -0.00279 0.06849  704 ILE A CB  
716  C CG1 . ILE A 127 ? 0.48310 0.48008 0.62067 0.02967  0.00583  0.06284  704 ILE A CG1 
717  C CG2 . ILE A 127 ? 0.44884 0.46620 0.60193 0.04526  -0.00113 0.04758  704 ILE A CG2 
718  C CD1 . ILE A 127 ? 0.35411 0.33456 0.50729 0.02776  0.00747  0.04375  704 ILE A CD1 
719  N N   . ASP A 128 ? 0.50408 0.55371 0.63205 0.04833  -0.02675 0.09094  705 ASP A N   
720  C CA  . ASP A 128 ? 0.50889 0.57749 0.65519 0.05593  -0.04189 0.09866  705 ASP A CA  
721  C C   . ASP A 128 ? 0.47662 0.55863 0.65679 0.06146  -0.03822 0.08045  705 ASP A C   
722  O O   . ASP A 128 ? 0.55015 0.64392 0.76677 0.07361  -0.04572 0.08745  705 ASP A O   
723  C CB  . ASP A 128 ? 0.47249 0.55921 0.58357 0.04893  -0.05488 0.10319  705 ASP A CB  
724  C CG  . ASP A 128 ? 0.58089 0.66115 0.65466 0.04763  -0.05821 0.12481  705 ASP A CG  
725  O OD1 . ASP A 128 ? 0.70609 0.78317 0.79334 0.05502  -0.06598 0.15015  705 ASP A OD1 
726  O OD2 . ASP A 128 ? 0.62463 0.70317 0.65581 0.04047  -0.05171 0.11767  705 ASP A OD2 
727  N N   . TYR A 129 ? 0.44998 0.53283 0.62074 0.05423  -0.02570 0.05955  706 TYR A N   
728  C CA  . TYR A 129 ? 0.43204 0.53123 0.63020 0.05899  -0.01768 0.04454  706 TYR A CA  
729  C C   . TYR A 129 ? 0.55819 0.64278 0.74303 0.05519  -0.00108 0.02571  706 TYR A C   
730  O O   . TYR A 129 ? 0.52991 0.60062 0.68473 0.04479  0.00180  0.02311  706 TYR A O   
731  C CB  . TYR A 129 ? 0.45492 0.58457 0.65645 0.05046  -0.02527 0.04396  706 TYR A CB  
732  C CG  . TYR A 129 ? 0.40767 0.55541 0.61977 0.05204  -0.04709 0.06143  706 TYR A CG  
733  C CD1 . TYR A 129 ? 0.56756 0.70793 0.74065 0.04322  -0.06132 0.06965  706 TYR A CD1 
734  C CD2 . TYR A 129 ? 0.43880 0.61337 0.69883 0.06374  -0.05382 0.06951  706 TYR A CD2 
735  C CE1 . TYR A 129 ? 0.47502 0.63248 0.65042 0.04419  -0.08454 0.08527  706 TYR A CE1 
736  C CE2 . TYR A 129 ? 0.40968 0.60378 0.68088 0.06478  -0.07784 0.08735  706 TYR A CE2 
737  C CZ  . TYR A 129 ? 0.40014 0.58459 0.62581 0.05405  -0.09452 0.09507  706 TYR A CZ  
738  O OH  . TYR A 129 ? 0.42080 0.62463 0.65002 0.05481  -0.12150 0.11270  706 TYR A OH  
739  N N   . VAL A 130 ? 0.48624 0.77204 0.66819 0.03761  -0.18132 0.12709  707 VAL A N   
740  C CA  . VAL A 130 ? 0.45619 0.66372 0.55128 0.03648  -0.17930 0.13338  707 VAL A CA  
741  C C   . VAL A 130 ? 0.58309 0.77701 0.62121 0.00701  -0.12118 0.12008  707 VAL A C   
742  O O   . VAL A 130 ? 0.56199 0.81696 0.63444 -0.00693 -0.08721 0.08831  707 VAL A O   
743  C CB  . VAL A 130 ? 0.51262 0.71036 0.60492 0.06554  -0.20550 0.11627  707 VAL A CB  
744  C CG1 . VAL A 130 ? 0.56216 0.69637 0.56082 0.07217  -0.20038 0.11279  707 VAL A CG1 
745  C CG2 . VAL A 130 ? 0.45116 0.64093 0.59543 0.08718  -0.24957 0.12778  707 VAL A CG2 
746  N N   . ALA A 131 ? 0.58544 0.69869 0.53632 -0.00093 -0.10564 0.14278  708 ALA A N   
747  C CA  . ALA A 131 ? 0.66796 0.74097 0.55138 -0.03034 -0.03891 0.13858  708 ALA A CA  
748  C C   . ALA A 131 ? 0.77454 0.76634 0.54230 -0.00596 -0.02930 0.14520  708 ALA A C   
749  O O   . ALA A 131 ? 0.97556 0.90183 0.67455 0.02245  -0.06017 0.16973  708 ALA A O   
750  C CB  . ALA A 131 ? 0.67705 0.70972 0.54099 -0.05514 -0.01738 0.16263  708 ALA A CB  
751  N N   . HIS A 132 ? 0.84531 0.84869 0.59110 -0.01187 0.01211  0.11978  709 HIS A N   
752  C CA  . HIS A 132 ? 0.95902 0.89155 0.58899 0.01587  0.02924  0.12266  709 HIS A CA  
753  C C   . HIS A 132 ? 1.02532 0.95811 0.62956 -0.01657 0.11260  0.10304  709 HIS A C   
754  O O   . HIS A 132 ? 0.98438 0.99527 0.68099 -0.05645 0.14323  0.07530  709 HIS A O   
755  C CB  . HIS A 132 ? 1.00162 0.96389 0.64756 0.05909  -0.03059 0.10363  709 HIS A CB  
756  C CG  . HIS A 132 ? 1.27372 1.16086 0.79817 0.10564  -0.04436 0.11077  709 HIS A CG  
757  N ND1 . HIS A 132 ? 1.36197 1.25882 0.89593 0.14799  -0.11327 0.09717  709 HIS A ND1 
758  C CD2 . HIS A 132 ? 1.33170 1.13387 0.72009 0.12147  0.00349  0.12648  709 HIS A CD2 
759  C CE1 . HIS A 132 ? 1.29100 1.12535 0.70365 0.19121  -0.11428 0.09895  709 HIS A CE1 
760  N NE2 . HIS A 132 ? 1.38836 1.15947 0.70272 0.18020  -0.04342 0.12094  709 HIS A NE2 
761  N N   . ASP A 133 ? 1.13780 0.98602 0.61523 0.00356  0.15160  0.11441  710 ASP A N   
762  C CA  . ASP A 133 ? 1.28805 1.12894 0.73464 -0.02611 0.23821  0.09628  710 ASP A CA  
763  C C   . ASP A 133 ? 1.29762 1.22909 0.80231 -0.01496 0.22326  0.05448  710 ASP A C   
764  O O   . ASP A 133 ? 1.16617 1.13945 0.70723 0.02333  0.14873  0.04463  710 ASP A O   
765  C CB  . ASP A 133 ? 1.45106 1.15697 0.72553 -0.00074 0.29258  0.12902  710 ASP A CB  
766  C CG  . ASP A 133 ? 1.51470 1.16976 0.69465 0.07342  0.22279  0.14865  710 ASP A CG  
767  O OD1 . ASP A 133 ? 1.56068 1.23563 0.71098 0.11248  0.20058  0.12910  710 ASP A OD1 
768  O OD2 . ASP A 133 ? 1.60689 1.20958 0.74663 0.09428  0.18826  0.17792  710 ASP A OD2 
769  N N   . ASP A 134 ? 1.56803 1.52922 1.08506 -0.05073 0.29925  0.02640  711 ASP A N   
770  C CA  . ASP A 134 ? 1.60832 1.65184 1.16651 -0.03871 0.29605  -0.01527 711 ASP A CA  
771  C C   . ASP A 134 ? 1.64582 1.62716 1.09169 -0.03511 0.37359  -0.01569 711 ASP A C   
772  O O   . ASP A 134 ? 1.69313 1.67242 1.08597 0.01054  0.35101  -0.02386 711 ASP A O   
773  C CB  . ASP A 134 ? 1.49801 1.67501 1.20409 -0.08075 0.30843  -0.06341 711 ASP A CB  
774  C CG  . ASP A 134 ? 1.44046 1.71628 1.20780 -0.05110 0.26971  -0.10436 711 ASP A CG  
775  O OD1 . ASP A 134 ? 1.34086 1.66812 1.17767 -0.02260 0.19419  -0.10807 711 ASP A OD1 
776  O OD2 . ASP A 134 ? 1.61817 1.91445 1.36009 -0.05446 0.31855  -0.13187 711 ASP A OD2 
777  N N   . ASP A 144 ? 1.30858 1.65194 1.09772 0.26320  -0.09730 -0.21889 739 ASP A N   
778  C CA  . ASP A 144 ? 1.18999 1.51886 1.00142 0.22505  -0.08357 -0.18242 739 ASP A CA  
779  C C   . ASP A 144 ? 1.12173 1.42592 0.99324 0.23465  -0.14358 -0.16562 739 ASP A C   
780  O O   . ASP A 144 ? 1.06915 1.41221 1.02088 0.24454  -0.16657 -0.17634 739 ASP A O   
781  C CB  . ASP A 144 ? 1.12521 1.53520 0.99964 0.18978  -0.03647 -0.19368 739 ASP A CB  
782  C CG  . ASP A 144 ? 1.16628 1.56672 1.06824 0.15022  -0.02163 -0.16147 739 ASP A CG  
783  O OD1 . ASP A 144 ? 1.20466 1.52766 1.05871 0.14742  -0.03717 -0.12581 739 ASP A OD1 
784  O OD2 . ASP A 144 ? 1.07381 1.55074 1.04677 0.12566  0.00327  -0.17661 739 ASP A OD2 
785  N N   . ILE A 145 ? 1.24100 1.58046 0.89148 -0.01316 -0.42334 -0.36545 740 ILE A N   
786  C CA  . ILE A 145 ? 1.15596 1.52204 0.96024 -0.00652 -0.44577 -0.36928 740 ILE A CA  
787  C C   . ILE A 145 ? 1.08025 1.44741 0.98967 0.01995  -0.40335 -0.32307 740 ILE A C   
788  O O   . ILE A 145 ? 1.04901 1.42581 1.08566 0.01970  -0.39330 -0.33311 740 ILE A O   
789  C CB  . ILE A 145 ? 1.16503 1.55547 0.98045 -0.01380 -0.52180 -0.35063 740 ILE A CB  
790  N N   . TYR A 146 ? 0.99782 1.34860 0.84676 0.03641  -0.37609 -0.27374 741 TYR A N   
791  C CA  . TYR A 146 ? 0.96322 1.30589 0.88874 0.05784  -0.33836 -0.22496 741 TYR A CA  
792  C C   . TYR A 146 ? 0.83259 1.14872 0.75534 0.06089  -0.26800 -0.22614 741 TYR A C   
793  O O   . TYR A 146 ? 0.76580 1.06583 0.71865 0.07396  -0.23445 -0.18126 741 TYR A O   
794  C CB  . TYR A 146 ? 1.04773 1.38274 0.90818 0.07375  -0.36213 -0.16487 741 TYR A CB  
795  C CG  . TYR A 146 ? 1.09563 1.45921 0.98783 0.08292  -0.43736 -0.15757 741 TYR A CG  
796  C CD1 . TYR A 146 ? 1.03609 1.44374 1.07133 0.08210  -0.46022 -0.18426 741 TYR A CD1 
797  C CD2 . TYR A 146 ? 1.15596 1.49639 0.93867 0.08706  -0.47932 -0.12090 741 TYR A CD2 
798  C CE1 . TYR A 146 ? 1.06265 1.51090 1.14575 0.09190  -0.52851 -0.17895 741 TYR A CE1 
799  C CE2 . TYR A 146 ? 1.07192 1.43063 0.89881 0.09283  -0.53278 -0.10504 741 TYR A CE2 
800  C CZ  . TYR A 146 ? 1.10670 1.52544 1.08620 0.09858  -0.55781 -0.13479 741 TYR A CZ  
801  O OH  . TYR A 146 ? 1.03990 1.49192 1.07378 0.10647  -0.60736 -0.12211 741 TYR A OH  
802  N N   . ALA A 147 ? 0.88813 1.19851 0.77650 0.05039  -0.24681 -0.27802 742 ALA A N   
803  C CA  . ALA A 147 ? 0.78049 1.07204 0.69184 0.06047  -0.18709 -0.28553 742 ALA A CA  
804  C C   . ALA A 147 ? 0.74931 1.01544 0.78571 0.06871  -0.16916 -0.27413 742 ALA A C   
805  O O   . ALA A 147 ? 0.66342 0.90934 0.72428 0.08059  -0.13207 -0.23873 742 ALA A O   
806  C CB  . ALA A 147 ? 0.87633 1.16558 0.74633 0.05361  -0.17116 -0.35300 742 ALA A CB  
807  N N   . TRP A 148 ? 0.71547 0.97917 0.82554 0.05646  -0.19585 -0.30345 743 TRP A N   
808  C CA  . TRP A 148 ? 0.66041 0.89066 0.87623 0.05422  -0.17539 -0.29664 743 TRP A CA  
809  C C   . TRP A 148 ? 0.58669 0.81812 0.84182 0.06167  -0.16456 -0.23339 743 TRP A C   
810  O O   . TRP A 148 ? 0.62079 0.81016 0.92552 0.06201  -0.12983 -0.21223 743 TRP A O   
811  C CB  . TRP A 148 ? 0.69751 0.93126 0.97886 0.02982  -0.20599 -0.34121 743 TRP A CB  
812  C CG  . TRP A 148 ? 0.69862 0.98932 1.01840 0.01979  -0.25434 -0.33002 743 TRP A CG  
813  C CD1 . TRP A 148 ? 0.81578 1.14975 1.08877 0.01193  -0.30805 -0.35146 743 TRP A CD1 
814  C CD2 . TRP A 148 ? 0.64663 0.95861 1.06474 0.01735  -0.25567 -0.29835 743 TRP A CD2 
815  N NE1 . TRP A 148 ? 0.83659 1.22287 1.18251 0.01003  -0.34885 -0.33363 743 TRP A NE1 
816  C CE2 . TRP A 148 ? 0.74599 1.12449 1.18642 0.01447  -0.31366 -0.30332 743 TRP A CE2 
817  C CE3 . TRP A 148 ? 0.57441 0.85429 1.06153 0.01618  -0.21323 -0.26787 743 TRP A CE3 
818  C CZ2 . TRP A 148 ? 0.62801 1.05319 1.17286 0.01644  -0.32738 -0.28227 743 TRP A CZ2 
819  C CZ3 . TRP A 148 ? 0.64309 0.96199 1.22145 0.01160  -0.22066 -0.24795 743 TRP A CZ3 
820  C CH2 . TRP A 148 ? 0.56118 0.95796 1.17575 0.01454  -0.27605 -0.25705 743 TRP A CH2 
821  N N   . LEU A 149 ? 0.58902 0.85730 0.81167 0.06810  -0.19387 -0.20194 744 LEU A N   
822  C CA  . LEU A 149 ? 0.53151 0.79207 0.77767 0.07920  -0.17954 -0.14290 744 LEU A CA  
823  C C   . LEU A 149 ? 0.51441 0.74034 0.69405 0.08821  -0.13661 -0.10435 744 LEU A C   
824  O O   . LEU A 149 ? 0.53262 0.72279 0.74895 0.08865  -0.10290 -0.06964 744 LEU A O   
825  C CB  . LEU A 149 ? 0.55959 0.85846 0.78114 0.09015  -0.22760 -0.12087 744 LEU A CB  
826  C CG  . LEU A 149 ? 0.60346 0.95029 0.92022 0.08265  -0.27265 -0.15247 744 LEU A CG  
827  C CD1 . LEU A 149 ? 0.65846 1.04449 0.93097 0.09651  -0.33759 -0.14305 744 LEU A CD1 
828  C CD2 . LEU A 149 ? 0.51394 0.86240 0.95236 0.08093  -0.24704 -0.13642 744 LEU A CD2 
829  N N   . LYS A 150 ? 0.54210 0.77940 0.62046 0.09048  -0.13634 -0.11062 745 LYS A N   
830  C CA  . LYS A 150 ? 0.51713 0.73616 0.53998 0.09404  -0.09549 -0.07922 745 LYS A CA  
831  C C   . LYS A 150 ? 0.48068 0.66899 0.56856 0.09666  -0.05950 -0.09184 745 LYS A C   
832  O O   . LYS A 150 ? 0.48790 0.64558 0.58407 0.09794  -0.03067 -0.05072 745 LYS A O   
833  C CB  . LYS A 150 ? 0.57698 0.82388 0.48817 0.08883  -0.09614 -0.09719 745 LYS A CB  
834  C CG  . LYS A 150 ? 0.65332 0.90794 0.46485 0.08269  -0.13088 -0.07224 745 LYS A CG  
835  C CD  . LYS A 150 ? 0.71099 0.98562 0.40160 0.06667  -0.12401 -0.09637 745 LYS A CD  
836  C CE  . LYS A 150 ? 0.79894 1.06958 0.38400 0.05530  -0.17415 -0.09152 745 LYS A CE  
837  N NZ  . LYS A 150 ? 1.10813 1.39842 0.60710 0.03425  -0.17504 -0.14607 745 LYS A NZ  
838  N N   . ARG A 151 ? 0.53678 0.72267 0.66374 0.09673  -0.06414 -0.14804 746 ARG A N   
839  C CA  . ARG A 151 ? 0.52668 0.66671 0.70994 0.10280  -0.03808 -0.16079 746 ARG A CA  
840  C C   . ARG A 151 ? 0.57238 0.66042 0.82078 0.09276  -0.02723 -0.12326 746 ARG A C   
841  O O   . ARG A 151 ? 0.49992 0.53804 0.76634 0.09579  -0.00345 -0.10497 746 ARG A O   
842  C CB  . ARG A 151 ? 0.59921 0.72811 0.80893 0.10258  -0.05000 -0.22829 746 ARG A CB  
843  C CG  . ARG A 151 ? 0.62220 0.70510 0.85761 0.11957  -0.02688 -0.25102 746 ARG A CG  
844  C CD  . ARG A 151 ? 0.93595 1.00787 1.17047 0.12373  -0.03662 -0.32383 746 ARG A CD  
845  N NE  . ARG A 151 ? 0.91809 1.04305 1.09964 0.11075  -0.05952 -0.35559 746 ARG A NE  
846  C CZ  . ARG A 151 ? 1.05153 1.16998 1.24649 0.08906  -0.08957 -0.38982 746 ARG A CZ  
847  N NH1 . ARG A 151 ? 1.10086 1.16608 1.36235 0.07441  -0.09585 -0.39974 746 ARG A NH1 
848  N NH2 . ARG A 151 ? 0.83798 1.00163 0.97192 0.07639  -0.11535 -0.41476 746 ARG A NH2 
849  N N   . ALA A 152 ? 0.55247 0.65136 0.83716 0.07975  -0.04473 -0.11326 747 ALA A N   
850  C CA  . ALA A 152 ? 0.54370 0.59782 0.89190 0.06443  -0.02758 -0.08560 747 ALA A CA  
851  C C   . ALA A 152 ? 0.53674 0.58153 0.85527 0.06736  -0.00863 -0.02266 747 ALA A C   
852  O O   . ALA A 152 ? 0.49078 0.49186 0.85033 0.05258  0.01363  0.00310  747 ALA A O   
853  C CB  . ALA A 152 ? 0.51899 0.59918 0.94054 0.04686  -0.05051 -0.11414 747 ALA A CB  
854  N N   . GLY A 153 ? 0.51992 0.80242 0.78955 -0.00327 -0.04381 -0.24460 748 GLY A N   
855  C CA  . GLY A 153 ? 0.45709 0.79749 0.73427 -0.03286 0.02385  -0.22552 748 GLY A CA  
856  C C   . GLY A 153 ? 0.44021 0.77154 0.76156 -0.05446 0.03354  -0.20459 748 GLY A C   
857  O O   . GLY A 153 ? 0.46036 0.81543 0.78477 -0.07592 0.08210  -0.18568 748 GLY A O   
858  N N   . LYS A 154 ? 0.47598 0.76414 0.82347 -0.04597 -0.01683 -0.20564 749 LYS A N   
859  C CA  . LYS A 154 ? 0.46065 0.74675 0.86905 -0.06562 -0.01217 -0.17506 749 LYS A CA  
860  C C   . LYS A 154 ? 0.48178 0.75501 0.84412 -0.05240 -0.01809 -0.19343 749 LYS A C   
861  O O   . LYS A 154 ? 0.48363 0.74497 0.89338 -0.06251 -0.03048 -0.17179 749 LYS A O   
862  C CB  . LYS A 154 ? 0.48184 0.73829 0.98454 -0.07849 -0.07083 -0.14175 749 LYS A CB  
863  C CG  . LYS A 154 ? 0.44692 0.73717 1.01921 -0.09674 -0.04974 -0.10392 749 LYS A CG  
864  C CD  . LYS A 154 ? 0.47619 0.74236 1.14733 -0.11360 -0.12221 -0.06291 749 LYS A CD  
865  C CE  . LYS A 154 ? 0.46618 0.78304 1.20783 -0.12813 -0.08986 -0.01867 749 LYS A CE  
866  N NZ  . LYS A 154 ? 0.67238 0.97331 1.51660 -0.15032 -0.16591 0.02938  749 LYS A NZ  
867  N N   . PHE A 155 ? 0.50848 0.79360 0.78464 -0.02806 -0.00791 -0.22526 750 PHE A N   
868  C CA  . PHE A 155 ? 0.52113 0.80062 0.75181 -0.01129 -0.01273 -0.23945 750 PHE A CA  
869  C C   . PHE A 155 ? 0.56083 0.89194 0.76031 -0.02894 0.04668  -0.22963 750 PHE A C   
870  O O   . PHE A 155 ? 0.54250 0.91622 0.70371 -0.02953 0.07388  -0.22865 750 PHE A O   
871  C CB  . PHE A 155 ? 0.59024 0.84478 0.74007 0.04143  -0.05216 -0.27287 750 PHE A CB  
872  C CG  . PHE A 155 ? 0.69443 0.95087 0.79295 0.06495  -0.05235 -0.28384 750 PHE A CG  
873  C CD1 . PHE A 155 ? 0.80753 1.00611 0.92701 0.06340  -0.09480 -0.28653 750 PHE A CD1 
874  C CD2 . PHE A 155 ? 0.70912 1.03351 0.74898 0.08372  -0.01071 -0.28174 750 PHE A CD2 
875  C CE1 . PHE A 155 ? 0.80189 1.00192 0.87299 0.08540  -0.09341 -0.29690 750 PHE A CE1 
876  C CE2 . PHE A 155 ? 0.76972 1.10476 0.76800 0.10552  -0.00897 -0.28519 750 PHE A CE2 
877  C CZ  . PHE A 155 ? 0.71836 0.98739 0.72710 0.10838  -0.04867 -0.29743 750 PHE A CZ  
878  N N   . LYS A 156 ? 0.47205 0.79500 0.68710 -0.04441 0.05945  -0.21767 751 LYS A N   
879  C CA  . LYS A 156 ? 0.45714 0.80434 0.63311 -0.06221 0.09975  -0.20799 751 LYS A CA  
880  C C   . LYS A 156 ? 0.63823 0.98776 0.78077 -0.04528 0.08581  -0.21961 751 LYS A C   
881  O O   . LYS A 156 ? 0.53357 0.84928 0.70402 -0.03883 0.06210  -0.22274 751 LYS A O   
882  C CB  . LYS A 156 ? 0.44446 0.76925 0.64884 -0.08430 0.12812  -0.18349 751 LYS A CB  
883  C CG  . LYS A 156 ? 0.58706 0.91119 0.79458 -0.09677 0.15457  -0.16842 751 LYS A CG  
884  C CD  . LYS A 156 ? 0.57053 0.91590 0.71498 -0.11112 0.16602  -0.17336 751 LYS A CD  
885  C CE  . LYS A 156 ? 0.48955 0.81393 0.61433 -0.12635 0.18956  -0.15864 751 LYS A CE  
886  N NZ  . LYS A 156 ? 0.67699 1.02722 0.75415 -0.14685 0.18747  -0.15540 751 LYS A NZ  
887  N N   . ALA A 157 ? 0.56324 0.95911 0.65225 -0.03873 0.09901  -0.21793 752 ALA A N   
888  C CA  . ALA A 157 ? 0.51965 0.92787 0.57542 -0.01716 0.08938  -0.22355 752 ALA A CA  
889  C C   . ALA A 157 ? 0.60783 1.00508 0.66408 -0.05031 0.10795  -0.20826 752 ALA A C   
890  O O   . ALA A 157 ? 0.60872 1.00050 0.65892 -0.08547 0.13032  -0.18948 752 ALA A O   
891  C CB  . ALA A 157 ? 0.52314 1.00487 0.52879 0.01145  0.09789  -0.21298 752 ALA A CB  
892  N N   . THR A 158 ? 0.70136 1.08135 0.75350 -0.03491 0.09274  -0.21802 753 THR A N   
893  C CA  . THR A 158 ? 0.79359 1.16226 0.83648 -0.05804 0.10610  -0.20605 753 THR A CA  
894  C C   . THR A 158 ? 0.87697 1.27841 0.88484 -0.03339 0.09588  -0.20907 753 THR A C   
895  O O   . THR A 158 ? 0.89166 1.28647 0.88744 0.01014  0.07011  -0.22996 753 THR A O   
896  C CB  . THR A 158 ? 0.66523 0.97866 0.75250 -0.06457 0.10249  -0.20685 753 THR A CB  
897  O OG1 . THR A 158 ? 0.68072 0.97308 0.79738 -0.03788 0.06419  -0.22320 753 THR A OG1 
898  C CG2 . THR A 158 ? 0.50480 0.79878 0.62335 -0.07932 0.12048  -0.19286 753 THR A CG2 
899  N N   . GLN A 159 ? 1.02433 1.45113 1.00812 -0.05870 0.11058  -0.18595 754 GLN A N   
900  C CA  A GLN A 159 ? 0.99477 1.47459 0.94886 -0.03820 0.10739  -0.17452 754 GLN A CA  
901  C CA  B GLN A 159 ? 1.03821 1.51788 0.99234 -0.03779 0.10725  -0.17480 754 GLN A CA  
902  C C   . GLN A 159 ? 0.99044 1.42530 0.94634 -0.03324 0.09671  -0.19021 754 GLN A C   
903  O O   . GLN A 159 ? 0.93202 1.30253 0.91781 -0.04366 0.09151  -0.20522 754 GLN A O   
904  C CB  A GLN A 159 ? 1.01928 1.55832 0.95820 -0.07659 0.11936  -0.12767 754 GLN A CB  
905  C CB  B GLN A 159 ? 0.99531 1.53589 0.93402 -0.07520 0.11929  -0.12780 754 GLN A CB  
906  C CG  A GLN A 159 ? 0.99218 1.55886 0.93773 -0.09744 0.12622  -0.10724 754 GLN A CG  
907  C CG  B GLN A 159 ? 0.97882 1.49811 0.92191 -0.12009 0.12451  -0.11149 754 GLN A CG  
908  C CD  A GLN A 159 ? 1.06292 1.65562 0.99755 -0.15398 0.12112  -0.05505 754 GLN A CD  
909  C CD  B GLN A 159 ? 0.97003 1.52688 0.92619 -0.09857 0.12984  -0.11500 754 GLN A CD  
910  O OE1 A GLN A 159 ? 1.05608 1.63821 0.97604 -0.18036 0.11042  -0.03464 754 GLN A OE1 
911  O OE1 B GLN A 159 ? 0.97426 1.54018 0.93278 -0.04770 0.12559  -0.14166 754 GLN A OE1 
912  N NE2 A GLN A 159 ? 1.02466 1.64383 0.96511 -0.17612 0.12083  -0.03026 754 GLN A NE2 
913  N NE2 B GLN A 159 ? 0.99368 1.56037 0.94922 -0.13621 0.13239  -0.08812 754 GLN A NE2 
914  N N   . ARG A 160 ? 1.13559 1.61460 1.06352 -0.01333 0.09468  -0.17955 755 ARG A N   
915  C CA  . ARG A 160 ? 1.07361 1.51709 0.99815 -0.00585 0.08352  -0.19308 755 ARG A CA  
916  C C   . ARG A 160 ? 1.12586 1.61142 1.03315 -0.03460 0.09477  -0.15840 755 ARG A C   
917  O O   . ARG A 160 ? 1.04799 1.59515 0.94887 -0.05913 0.10389  -0.11815 755 ARG A O   
918  C CB  . ARG A 160 ? 1.01068 1.44883 0.90544 0.05904  0.05878  -0.21903 755 ARG A CB  
919  C CG  . ARG A 160 ? 0.88252 1.23704 0.79565 0.07839  0.02264  -0.25474 755 ARG A CG  
920  C CD  . ARG A 160 ? 0.89578 1.22269 0.74650 0.14891  -0.01483 -0.28042 755 ARG A CD  
921  N NE  . ARG A 160 ? 1.13798 1.36294 1.00588 0.15601  -0.07009 -0.30796 755 ARG A NE  
922  C CZ  . ARG A 160 ? 1.19015 1.35124 1.00665 0.20167  -0.11803 -0.33142 755 ARG A CZ  
923  N NH1 . ARG A 160 ? 1.13081 1.32322 0.86906 0.25460  -0.10906 -0.33439 755 ARG A NH1 
924  N NH2 . ARG A 160 ? 1.10378 1.16717 0.94875 0.19410  -0.18062 -0.34547 755 ARG A NH2 
925  N N   . THR A 161 ? 1.32577 1.77664 1.23022 -0.03487 0.08765  -0.16866 756 THR A N   
926  C CA  . THR A 161 ? 1.37885 1.85837 1.26632 -0.05971 0.09054  -0.13832 756 THR A CA  
927  C C   . THR A 161 ? 1.38814 1.87074 1.26237 -0.01854 0.08072  -0.15521 756 THR A C   
928  O O   . THR A 161 ? 1.38521 1.79954 1.27171 -0.00334 0.06688  -0.19052 756 THR A O   
929  C CB  . THR A 161 ? 1.32932 1.73295 1.21341 -0.11068 0.09124  -0.13414 756 THR A CB  
930  O OG1 . THR A 161 ? 1.33190 1.71022 1.21288 -0.13900 0.09600  -0.12514 756 THR A OG1 
931  C CG2 . THR A 161 ? 1.38556 1.80755 1.24458 -0.14289 0.08265  -0.09843 756 THR A CG2 
932  N N   . GLU A 162 ? 1.29746 1.86236 1.14999 -0.00002 0.08521  -0.12286 757 GLU A N   
933  C CA  . GLU A 162 ? 1.32126 1.89233 1.14657 0.05091  0.07667  -0.13752 757 GLU A CA  
934  C C   . GLU A 162 ? 1.17851 1.73479 1.00848 0.01501  0.07473  -0.12430 757 GLU A C   
935  O O   . GLU A 162 ? 1.14863 1.69046 0.99194 -0.04571 0.07673  -0.09964 757 GLU A O   
936  C CB  . GLU A 162 ? 1.37440 2.05260 1.16316 0.11450  0.08806  -0.10605 757 GLU A CB  
937  C CG  . GLU A 162 ? 1.44082 2.11501 1.20077 0.17324  0.08474  -0.12932 757 GLU A CG  
938  C CD  . GLU A 162 ? 1.41326 1.96542 1.14795 0.20914  0.04888  -0.19512 757 GLU A CD  
939  O OE1 . GLU A 162 ? 1.34315 1.84789 1.05666 0.22771  0.02946  -0.21583 757 GLU A OE1 
940  O OE2 . GLU A 162 ? 1.32337 1.82578 1.06317 0.21440  0.03428  -0.22092 757 GLU A OE2 
941  N N   . GLY A 163 ? 1.12850 1.67509 0.93532 0.05713  0.06494  -0.14261 758 GLY A N   
942  C CA  . GLY A 163 ? 1.18484 1.71855 0.99367 0.03007  0.06239  -0.13250 758 GLY A CA  
943  C C   . GLY A 163 ? 1.16619 1.59854 0.99901 -0.01137 0.05507  -0.15948 758 GLY A C   
944  O O   . GLY A 163 ? 0.99576 1.40938 0.82581 -0.04238 0.05474  -0.14693 758 GLY A O   
945  N N   . VAL A 164 ? 1.20690 1.57787 1.06314 -0.00765 0.04908  -0.19007 759 VAL A N   
946  C CA  . VAL A 164 ? 1.14752 1.44241 1.03344 -0.03788 0.05080  -0.20035 759 VAL A CA  
947  C C   . VAL A 164 ? 1.18200 1.42599 1.09748 -0.01353 0.02824  -0.22590 759 VAL A C   
948  O O   . VAL A 164 ? 1.14873 1.34755 1.09766 -0.03119 0.03274  -0.22209 759 VAL A O   
949  C CB  . VAL A 164 ? 0.91970 1.19451 0.82312 -0.05877 0.06337  -0.19655 759 VAL A CB  
950  C CG1 . VAL A 164 ? 0.97467 1.26189 0.84552 -0.09865 0.07522  -0.16664 759 VAL A CG1 
951  C CG2 . VAL A 164 ? 0.94864 1.24962 0.86204 -0.02915 0.05414  -0.21004 759 VAL A CG2 
952  N N   . SER A 165 ? 1.22713 1.47249 1.12548 0.03028  -0.00007 -0.24612 760 SER A N   
953  C CA  . SER A 165 ? 1.23198 1.41246 1.15921 0.04710  -0.04037 -0.26570 760 SER A CA  
954  C C   . SER A 165 ? 1.25624 1.41117 1.20256 0.03339  -0.04443 -0.26061 760 SER A C   
955  O O   . SER A 165 ? 1.26760 1.44995 1.17876 0.03286  -0.02888 -0.25550 760 SER A O   
956  C CB  . SER A 165 ? 1.32131 1.48070 1.19309 0.10525  -0.08228 -0.29193 760 SER A CB  
957  O OG  . SER A 165 ? 1.38310 1.54222 1.24412 0.12302  -0.09037 -0.29980 760 SER A OG  
958  N N   . THR A 166 ? 1.24320 1.35275 1.25322 0.02107  -0.06662 -0.25384 761 THR A N   
959  C CA  . THR A 166 ? 1.17462 1.25539 1.20911 0.01785  -0.08545 -0.24824 761 THR A CA  
960  C C   . THR A 166 ? 1.20613 1.27846 1.17282 0.05172  -0.11087 -0.27286 761 THR A C   
961  O O   . THR A 166 ? 1.20165 1.29244 1.14619 0.04728  -0.09139 -0.26912 761 THR A O   
962  C CB  . THR A 166 ? 1.24929 1.28795 1.36409 0.01053  -0.13137 -0.23143 761 THR A CB  
963  O OG1 . THR A 166 ? 1.18034 1.24348 1.35893 -0.01236 -0.09858 -0.19898 761 THR A OG1 
964  C CG2 . THR A 166 ? 1.18035 1.19428 1.33228 0.00441  -0.15658 -0.21639 761 THR A CG2 
965  N N   . THR A 167 ? 1.32641 1.36536 1.24832 0.09264  -0.15577 -0.29732 762 THR A N   
966  C CA  . THR A 167 ? 1.39383 1.41840 1.22879 0.14466  -0.17963 -0.32054 762 THR A CA  
967  C C   . THR A 167 ? 1.30328 1.41468 1.09746 0.14872  -0.12388 -0.30733 762 THR A C   
968  O O   . THR A 167 ? 1.30188 1.41954 1.06122 0.16698  -0.12584 -0.30892 762 THR A O   
969  C CB  . THR A 167 ? 1.46542 1.44462 1.22723 0.20298  -0.22330 -0.34727 762 THR A CB  
970  O OG1 . THR A 167 ? 1.47136 1.53279 1.17985 0.23235  -0.17536 -0.34206 762 THR A OG1 
971  C CG2 . THR A 167 ? 1.47382 1.40014 1.29634 0.17738  -0.26090 -0.34485 762 THR A CG2 
972  N N   . ASP A 168 ? 1.30578 1.48491 1.10753 0.12839  -0.07955 -0.28793 763 ASP A N   
973  C CA  . ASP A 168 ? 1.29548 1.56161 1.06815 0.12467  -0.03961 -0.26060 763 ASP A CA  
974  C C   . ASP A 168 ? 1.24116 1.50501 1.03829 0.08217  -0.02574 -0.24555 763 ASP A C   
975  O O   . ASP A 168 ? 1.10884 1.41851 0.87559 0.09219  -0.01670 -0.22942 763 ASP A O   
976  C CB  . ASP A 168 ? 1.31654 1.64220 1.10294 0.09785  -0.00756 -0.23540 763 ASP A CB  
977  C CG  . ASP A 168 ? 1.29168 1.61924 1.05463 0.14039  -0.01882 -0.24986 763 ASP A CG  
978  O OD1 . ASP A 168 ? 1.44328 1.69927 1.18470 0.18037  -0.05955 -0.28332 763 ASP A OD1 
979  O OD2 . ASP A 168 ? 1.23275 1.62618 0.99520 0.13312  0.00648  -0.22536 763 ASP A OD2 
980  N N   . LEU A 169 ? 1.23020 1.44365 1.07920 0.04045  -0.02303 -0.24576 764 LEU A N   
981  C CA  . LEU A 169 ? 1.11216 1.31215 0.97153 0.00693  -0.00849 -0.23152 764 LEU A CA  
982  C C   . LEU A 169 ? 1.14733 1.32353 1.00003 0.02870  -0.03198 -0.24446 764 LEU A C   
983  O O   . LEU A 169 ? 1.07336 1.26633 0.90650 0.01776  -0.02190 -0.23266 764 LEU A O   
984  C CB  . LEU A 169 ? 1.15358 1.30702 1.05723 -0.02264 0.00478  -0.22396 764 LEU A CB  
985  C CG  . LEU A 169 ? 1.12562 1.28382 1.01878 -0.04884 0.03073  -0.20843 764 LEU A CG  
986  C CD1 . LEU A 169 ? 1.01267 1.17729 0.85564 -0.07850 0.04196  -0.18754 764 LEU A CD1 
987  C CD2 . LEU A 169 ? 1.20066 1.39659 1.09233 -0.03665 0.02738  -0.21389 764 LEU A CD2 
988  N N   . ILE A 170 ? 1.05356 1.18237 0.92003 0.05684  -0.07106 -0.26625 765 ILE A N   
989  C CA  . ILE A 170 ? 1.19598 1.29223 1.04218 0.08254  -0.10377 -0.28024 765 ILE A CA  
990  C C   . ILE A 170 ? 1.24582 1.39311 1.01591 0.12269  -0.09532 -0.28201 765 ILE A C   
991  O O   . ILE A 170 ? 1.19460 1.35265 0.94616 0.12628  -0.09263 -0.27728 765 ILE A O   
992  C CB  . ILE A 170 ? 1.12308 1.14280 0.98237 0.10620  -0.16570 -0.30003 765 ILE A CB  
993  C CG1 . ILE A 170 ? 1.14020 1.13193 1.09770 0.06353  -0.17359 -0.27717 765 ILE A CG1 
994  C CG2 . ILE A 170 ? 1.23008 1.20301 1.03767 0.14442  -0.20981 -0.31946 765 ILE A CG2 
995  C CD1 . ILE A 170 ? 1.10477 1.12302 1.10042 0.02984  -0.12956 -0.25165 765 ILE A CD1 
996  N N   . VAL A 171 ? 1.32127 1.51023 1.04838 0.15774  -0.08805 -0.28186 766 VAL A N   
997  C CA  . VAL A 171 ? 1.30001 1.56578 0.96142 0.20482  -0.07026 -0.26545 766 VAL A CA  
998  C C   . VAL A 171 ? 1.22568 1.56382 0.91195 0.15734  -0.03437 -0.22493 766 VAL A C   
999  O O   . VAL A 171 ? 1.15760 1.53388 0.81453 0.17874  -0.03052 -0.21013 766 VAL A O   
1000 C CB  . VAL A 171 ? 1.33720 1.65753 0.96338 0.24442  -0.05669 -0.25603 766 VAL A CB  
1001 C CG1 . VAL A 171 ? 1.22022 1.64040 0.78362 0.30544  -0.03335 -0.22345 766 VAL A CG1 
1002 C CG2 . VAL A 171 ? 1.36527 1.59223 0.95829 0.28841  -0.10249 -0.29821 766 VAL A CG2 
1003 N N   . ARG A 172 ? 1.23152 1.57994 0.96424 0.09384  -0.01355 -0.20461 767 ARG A N   
1004 C CA  . ARG A 172 ? 1.16332 1.55237 0.90629 0.04452  0.00403  -0.16555 767 ARG A CA  
1005 C C   . ARG A 172 ? 1.16476 1.50138 0.91223 0.03122  -0.00606 -0.17794 767 ARG A C   
1006 O O   . ARG A 172 ? 1.16863 1.54549 0.90342 0.01945  -0.00203 -0.15024 767 ARG A O   
1007 C CB  . ARG A 172 ? 1.01343 1.38383 0.78112 -0.01481 0.01500  -0.14883 767 ARG A CB  
1008 C CG  . ARG A 172 ? 1.02990 1.40831 0.79012 -0.06662 0.01485  -0.11035 767 ARG A CG  
1009 C CD  . ARG A 172 ? 0.93622 1.23896 0.69266 -0.11617 0.01368  -0.10817 767 ARG A CD  
1010 N NE  . ARG A 172 ? 0.90654 1.23182 0.66809 -0.12751 0.01837  -0.09570 767 ARG A NE  
1011 C CZ  . ARG A 172 ? 0.97991 1.25064 0.72165 -0.16939 0.01205  -0.08220 767 ARG A CZ  
1012 N NH1 . ARG A 172 ? 1.03865 1.22012 0.74162 -0.19811 -0.00048 -0.08020 767 ARG A NH1 
1013 N NH2 . ARG A 172 ? 0.90130 1.19759 0.65015 -0.17723 0.01520  -0.07113 767 ARG A NH2 
1014 N N   . ILE A 173 ? 1.18441 1.43812 0.95678 0.03160  -0.02105 -0.21161 768 ILE A N   
1015 C CA  . ILE A 173 ? 1.12337 1.33020 0.90918 0.01370  -0.02643 -0.21592 768 ILE A CA  
1016 C C   . ILE A 173 ? 1.20918 1.42616 0.96550 0.05271  -0.04468 -0.22585 768 ILE A C   
1017 O O   . ILE A 173 ? 1.23522 1.44466 0.98996 0.03742  -0.04339 -0.21829 768 ILE A O   
1018 C CB  . ILE A 173 ? 1.15939 1.29567 0.99503 0.00411  -0.03494 -0.23109 768 ILE A CB  
1019 C CG1 . ILE A 173 ? 1.15307 1.25197 1.00383 -0.01576 -0.02947 -0.22319 768 ILE A CG1 
1020 C CG2 . ILE A 173 ? 1.15150 1.25640 0.99989 0.04129  -0.07355 -0.25571 768 ILE A CG2 
1021 C CD1 . ILE A 173 ? 1.19960 1.25633 1.09936 -0.02739 -0.01909 -0.21386 768 ILE A CD1 
1022 N N   . LEU A 174 ? 1.17189 1.39676 0.89169 0.10971  -0.06403 -0.24362 769 LEU A N   
1023 C CA  . LEU A 174 ? 1.28146 1.50449 0.95175 0.15920  -0.08331 -0.25403 769 LEU A CA  
1024 C C   . LEU A 174 ? 1.33177 1.65903 0.96871 0.17301  -0.05429 -0.21430 769 LEU A C   
1025 O O   . LEU A 174 ? 1.26771 1.60518 0.87637 0.19679  -0.05951 -0.21096 769 LEU A O   
1026 C CB  . LEU A 174 ? 1.34117 1.51048 0.95602 0.22876  -0.12366 -0.28818 769 LEU A CB  
1027 C CG  . LEU A 174 ? 1.32454 1.37859 0.96900 0.22042  -0.17780 -0.31946 769 LEU A CG  
1028 C CD1 . LEU A 174 ? 1.19669 1.22269 0.89289 0.17846  -0.18264 -0.31324 769 LEU A CD1 
1029 C CD2 . LEU A 174 ? 1.34233 1.37834 1.04673 0.18507  -0.17816 -0.31797 769 LEU A CD2 
1030 N N   . LYS A 175 ? 1.33656 1.74735 0.98316 0.15602  -0.02659 -0.17587 770 LYS A N   
1031 C CA  . LYS A 175 ? 1.27823 1.80877 0.91196 0.16397  -0.00368 -0.11748 770 LYS A CA  
1032 C C   . LYS A 175 ? 1.29729 1.83153 0.95087 0.11691  -0.00441 -0.09456 770 LYS A C   
1033 O O   . LYS A 175 ? 1.33755 1.96600 0.98082 0.13192  0.00617  -0.04571 770 LYS A O   
1034 C CB  . LYS A 175 ? 1.19271 1.80364 0.85558 0.12932  0.01606  -0.06909 770 LYS A CB  
1035 N N   . ASN A 176 ? 1.29133 1.73004 0.97182 0.06597  -0.01597 -0.12286 771 ASN A N   
1036 C CA  . ASN A 176 ? 1.24537 1.66428 0.93384 0.02588  -0.02049 -0.10917 771 ASN A CA  
1037 C C   . ASN A 176 ? 1.22824 1.64027 0.89086 0.07229  -0.03046 -0.12760 771 ASN A C   
1038 O O   . ASN A 176 ? 1.21009 1.60055 0.87871 0.04350  -0.03518 -0.12095 771 ASN A O   
1039 C CB  . ASN A 176 ? 1.25704 1.57137 0.96807 -0.02256 -0.02543 -0.13426 771 ASN A CB  
1040 C CG  . ASN A 176 ? 1.29396 1.58778 0.99782 -0.07812 -0.02961 -0.10387 771 ASN A CG  
1041 O OD1 . ASN A 176 ? 1.19723 1.48335 0.89436 -0.12216 -0.03317 -0.07595 771 ASN A OD1 
1042 N ND2 . ASN A 176 ? 1.19577 1.46811 0.89241 -0.07587 -0.03655 -0.10916 771 ASN A ND2 
1043 N N   . TYR A 177 ? 1.30688 1.72334 0.92945 0.14623  -0.03845 -0.15188 772 TYR A N   
1044 C CA  . TYR A 177 ? 1.26721 1.65817 0.84570 0.20037  -0.05618 -0.17357 772 TYR A CA  
1045 C C   . TYR A 177 ? 1.28298 1.73399 0.78612 0.29539  -0.05222 -0.16516 772 TYR A C   
1046 O O   . TYR A 177 ? 1.25219 1.77046 0.71751 0.33873  -0.04114 -0.13621 772 TYR A O   
1047 C CB  . TYR A 177 ? 1.26710 1.52996 0.85438 0.20086  -0.09320 -0.22931 772 TYR A CB  
1048 C CG  . TYR A 177 ? 1.30055 1.51025 0.95849 0.12637  -0.09001 -0.23217 772 TYR A CG  
1049 C CD1 . TYR A 177 ? 1.31680 1.49878 0.99552 0.09461  -0.09090 -0.22862 772 TYR A CD1 
1050 C CD2 . TYR A 177 ? 1.29279 1.48010 0.98859 0.09737  -0.08381 -0.23592 772 TYR A CD2 
1051 C CE1 . TYR A 177 ? 1.33967 1.47264 1.06684 0.04428  -0.08334 -0.22685 772 TYR A CE1 
1052 C CE2 . TYR A 177 ? 1.29355 1.43489 1.03974 0.04671  -0.07538 -0.23287 772 TYR A CE2 
1053 C CZ  . TYR A 177 ? 1.32916 1.44314 1.08667 0.02466  -0.07405 -0.22745 772 TYR A CZ  
1054 O OH  . TYR A 177 ? 1.23061 1.29911 1.02243 -0.00862 -0.06114 -0.22006 772 TYR A OH  
# 
