data_9HSC
# 
_entry.id   9HSC 
# 
_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   9HSC         pdb_00009hsc 10.2210/pdb9hsc/pdb 
WWPDB D_1292144092 ?            ?                   
# 
_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                        9HSC 
_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 tyramine' 
_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 'Cholinephosphate cytidylyltransferase' 20810.123 1  2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn '4-(2-aminoethyl)phenol'                137.179   1  ?        ? ? ?                                            
3 water       nat water                                   18.015    31 ?        ? ? ?                                            
# 
_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
TEGVSTTDLIVRILKNYEDY
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYEDY
;
_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 '4-(2-aminoethyl)phenol' AEF 
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 
1 180 TYR 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                   180 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'ctP, MAL13P1.86' 
_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 
AEF non-polymer         . '4-(2-aminoethyl)phenol' ? 'C8 H11 N O'     137.179 
ALA 'L-peptide linking' y ALANINE                  ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                 ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE               ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'          ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                 ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'          ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                  ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                    ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE               ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                  ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                   ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE               ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE            ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                  ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                   ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN               ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                 ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                   ? 'C5 H11 N O2'    117.146 
# 
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 134 729 ?   ?   ?   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 ?   ?   ?   A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 773 GLU GLU A . n 
A 1 179 ASP 179 774 774 ASP ASP A . n 
A 1 180 TYR 180 775 775 TYR TYR A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        AEF 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   AEF 
_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 AEF 1  801 1  AEF LIG A . 
C 3 HOH 1  901 12 HOH HOH A . 
C 3 HOH 2  902 19 HOH HOH A . 
C 3 HOH 3  903 24 HOH HOH A . 
C 3 HOH 4  904 17 HOH HOH A . 
C 3 HOH 5  905 2  HOH HOH A . 
C 3 HOH 6  906 33 HOH HOH A . 
C 3 HOH 7  907 5  HOH HOH A . 
C 3 HOH 8  908 32 HOH HOH A . 
C 3 HOH 9  909 4  HOH HOH A . 
C 3 HOH 10 910 3  HOH HOH A . 
C 3 HOH 11 911 20 HOH HOH A . 
C 3 HOH 12 912 8  HOH HOH A . 
C 3 HOH 13 913 9  HOH HOH A . 
C 3 HOH 14 914 11 HOH HOH A . 
C 3 HOH 15 915 27 HOH HOH A . 
C 3 HOH 16 916 30 HOH HOH A . 
C 3 HOH 17 917 1  HOH HOH A . 
C 3 HOH 18 918 14 HOH HOH A . 
C 3 HOH 19 919 16 HOH HOH A . 
C 3 HOH 20 920 7  HOH HOH A . 
C 3 HOH 21 921 6  HOH HOH A . 
C 3 HOH 22 922 10 HOH HOH A . 
C 3 HOH 23 923 29 HOH HOH A . 
C 3 HOH 24 924 28 HOH HOH A . 
C 3 HOH 25 925 25 HOH HOH A . 
C 3 HOH 26 926 21 HOH HOH A . 
C 3 HOH 27 927 31 HOH HOH A . 
C 3 HOH 28 928 23 HOH HOH A . 
C 3 HOH 29 929 18 HOH HOH A . 
C 3 HOH 30 930 22 HOH HOH A . 
C 3 HOH 31 931 15 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A ASN 657 ? CG  ? A ASN 80  CG  
6  1 Y 1 A ASN 657 ? OD1 ? A ASN 80  OD1 
7  1 Y 1 A ASN 657 ? ND2 ? A ASN 80  ND2 
8  1 Y 1 A LYS 663 ? CG  ? A LYS 86  CG  
9  1 Y 1 A LYS 663 ? CD  ? A LYS 86  CD  
10 1 Y 1 A LYS 663 ? CE  ? A LYS 86  CE  
11 1 Y 1 A LYS 663 ? NZ  ? A LYS 86  NZ  
12 1 Y 1 A HIS 709 ? CG  ? A HIS 132 CG  
13 1 Y 1 A HIS 709 ? ND1 ? A HIS 132 ND1 
14 1 Y 1 A HIS 709 ? CD2 ? A HIS 132 CD2 
15 1 Y 1 A HIS 709 ? CE1 ? A HIS 132 CE1 
16 1 Y 1 A HIS 709 ? NE2 ? A HIS 132 NE2 
17 1 Y 1 A TYR 741 ? CG  ? A TYR 146 CG  
18 1 Y 1 A TYR 741 ? CD1 ? A TYR 146 CD1 
19 1 Y 1 A TYR 741 ? CD2 ? A TYR 146 CD2 
20 1 Y 1 A TYR 741 ? CE1 ? A TYR 146 CE1 
21 1 Y 1 A TYR 741 ? CE2 ? A TYR 146 CE2 
22 1 Y 1 A TYR 741 ? CZ  ? A TYR 146 CZ  
23 1 Y 1 A TYR 741 ? OH  ? A TYR 146 OH  
24 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
25 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
26 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
27 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
28 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
29 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
30 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
31 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
32 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
33 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                     9HSC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.494 
_cell.length_a_esd                 ? 
_cell.length_b                     68.943 
_cell.length_b_esd                 ? 
_cell.length_c                     118.448 
_cell.length_c_esd                 ? 
_cell.volume                       412342.106 
_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                         9HSC 
_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                   9HSC 
_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             2.48 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.34 
_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 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% guanidine HCL 5-6-7% Glycerol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-12-08 
_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 ID23-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-2 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          50.71 
_reflns.entry_id                                       9HSC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.860 
_reflns.d_resolution_low                               46.449 
_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                                     20604 
_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                           70.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          20.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.060 
_reflns.pdbx_Rpim_I_all                                0.017 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.057 
_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                                    1.860 
_reflns_shell.d_res_low                                     2.050 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           4606 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             629 
_reflns_shell.percent_possible_obs                          14.3 
_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                               7.3 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.3 
_reflns_shell.pdbx_Rrim_I_all                               1.491 
_reflns_shell.pdbx_Rpim_I_all                               0.536 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.387 
_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                               65.01 
_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                                 9HSC 
_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                            2.18 
_refine.ls_d_res_low                             34.26 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     20604 
_refine.ls_number_reflns_R_free                  1015 
_refine.ls_number_reflns_R_work                  19589 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.63 
_refine.ls_percent_reflns_R_free                 4.93 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2060 
_refine.ls_R_factor_R_free                       0.2483 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2040 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 31.6529 
_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                            0.3082 
_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                       2.18 
_refine_hist.d_res_low                        34.26 
_refine_hist.number_atoms_solvent             31 
_refine_hist.number_atoms_total               1089 
_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         10 
_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' ? 0.0074  ? 1078 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8254  ? 1462 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0570  ? 171  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0073  ? 180  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 10.8752 ? 142  ? 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' 2.18 2.29  . . 107 2654 92.00 . . . . 0.3277 . . . . . . . . . . . 0.3321 
'X-RAY DIFFRACTION' 2.29 2.44  . . 182 2781 99.06 . . . . 0.2839 . . . . . . . . . . . 0.3161 
'X-RAY DIFFRACTION' 2.44 2.63  . . 161 2792 99.90 . . . . 0.2716 . . . . . . . . . . . 0.3304 
'X-RAY DIFFRACTION' 2.63 2.89  . . 138 2826 99.97 . . . . 0.2569 . . . . . . . . . . . 0.2859 
'X-RAY DIFFRACTION' 2.89 3.31  . . 149 2854 99.93 . . . . 0.2457 . . . . . . . . . . . 0.2950 
'X-RAY DIFFRACTION' 3.31 4.17  . . 148 2817 99.87 . . . . 0.1905 . . . . . . . . . . . 0.2269 
'X-RAY DIFFRACTION' 4.17 34.26 . . 130 2865 99.83 . . . . 0.1587 . . . . . . . . . . . 0.2043 
# 
_struct.entry_id                     9HSC 
_struct.title                        
'Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with tyramine' 
_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        9HSC 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
;
_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              9HSC 
_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                 180 
_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                  775 
_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       775 
# 
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 9HSC GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSC HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSC MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSC ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSC ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSC ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSC ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSC ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSC ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSC ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSC ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSC ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSC ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSC ?   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)' 2180  ? 
1 MORE         -6    ? 
1 'SSA (A^2)'  15000 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000   0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_455 -x-1,-y,z -1.0000000000 0.0000000000 0.0000000000 -50.4940000000 0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
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       1.25 
# 
_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 GLU A 108 ? O GLU A 685 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                   9HSC 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 663 ? ? -107.84 -61.11 
2 1 TYR A 741 ? ? -91.05  31.12  
# 
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 -18.0988101494 -8.67599423277 -26.4448534801 0.410060297402 ? 0.0331029019771  ? -0.0276203279915 
? 0.348930909581 ? 0.0450895042505   ? 0.332605386607 ? 6.31093388422 ? -0.096381180652 ? -2.10068349683    ? 8.13957580749 ? 
2.74614479849  ? 4.26904124001 ? 0.0221627431714 ? 0.0773402941278 ? -0.10408757629  ? 0.0620721858343 ? -0.0603937861674 ? 
-0.271540023136 ? 0.220239423951  ? 0.0328767186597 ? -0.0140783898613 ? 
2 'X-RAY DIFFRACTION' ? refined -26.3886651336 -13.8208377154 -18.884454684  0.407578274076 ? -0.0215954784463 ? -0.0161981933816 
? 0.33234157132  ? -0.00265527370212 ? 0.324530501743 ? 6.12158351854 ? -1.6517641997   ? -1.12161729073    ? 9.31321463301 ? 
-1.78716698336 ? 4.72103496533 ? -0.386659872979 ? -0.335963824402 ? -0.613161429661 ? 0.253404340455  ? 0.142904599619   ? 
0.289401977259  ? 0.517410508237  ? -0.196714755395 ? 0.273075281604   ? 
3 'X-RAY DIFFRACTION' ? refined -16.7874966775 -21.5084251692 -29.8743080063 0.819229033968 ? 0.119092157093   ? 0.0948459492198  
? 0.572484884177 ? -0.0973343315852  ? 0.602929153643 ? 7.32270376681 ? 0.579674013137  ? -0.00951127447649 ? 6.76632215392 ? 
-4.33667904501 ? 2.79940161486 ? -0.126117041345 ? -0.195318031948 ? -0.691556002274 ? -0.307872676781 ? -0.175743183418  ? 
0.144988924824  ? 0.0924370603506 ? 0.0398184944808 ? 0.14003418146    ? 
4 'X-RAY DIFFRACTION' ? refined -9.4722406026  -14.8644084004 -23.048911074  0.749980939891 ? 0.0740483862721  ? -0.0875737627121 
? 0.695334825091 ? 0.0101044861418   ? 0.668521385014 ? 4.38702265434 ? -4.66528024711  ? -3.1995163811     ? 6.59875375999 ? 
3.83105620511  ? 2.4399939478  ? -0.327801226878 ? -0.76675710656  ? 0.269899504554  ? 0.937704551824  ? 0.561721509241   ? 
-0.871619894662 ? 0.267514257288  ? 0.377609207857  ? -0.362254739466  ? 
5 'X-RAY DIFFRACTION' ? refined -19.1683944799 5.85333886465  0.777615327205 0.800226358151 ? -0.187819781587  ? 0.00963244168574 
? 1.06171901086  ? 0.0933935643489   ? 0.588549897528 ? 5.7872074765  ? -1.62391857508  ? 0.383087222372    ? 3.98605326908 ? 
-3.76353189232 ? 7.38442541807 ? -0.128066199773 ? -1.50620024195  ? 0.580786495987  ? 0.924719164921  ? -0.549727123741  ? 
-0.102292056476 ? -1.85547163084  ? 1.68773097139   ? 0.238168399723   ? 
# 
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 38  A 653 ? ? 
;chain 'A' and (resid 616 through 653 )
;
2 'X-RAY DIFFRACTION' 2 A 39  A 654 ? A 80  A 695 ? ? 
;chain 'A' and (resid 654 through 695 )
;
3 'X-RAY DIFFRACTION' 3 A 81  A 696 ? A 97  A 741 ? ? 
;chain 'A' and (resid 696 through 741 )
;
4 'X-RAY DIFFRACTION' 4 A 98  A 742 ? A 116 A 760 ? ? 
;chain 'A' and (resid 742 through 760 )
;
5 'X-RAY DIFFRACTION' 5 A 117 A 761 ? A 131 A 775 ? ? 
;chain 'A' and (resid 761 through 775 )
;
# 
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 ASP 729 ? A ASP 134 
40 1 Y 1 A ILE 730 ? A ILE 135 
41 1 Y 1 A PRO 731 ? A PRO 136 
42 1 Y 1 A TYR 732 ? A TYR 137 
43 1 Y 1 A ALA 733 ? A ALA 138 
44 1 Y 1 A ASN 734 ? A ASN 139 
45 1 Y 1 A ASN 735 ? A ASN 140 
46 1 Y 1 A GLN 736 ? A GLN 141 
47 1 Y 1 A LYS 737 ? A LYS 142 
48 1 Y 1 A GLU 738 ? A GLU 143 
49 1 Y 1 A ASP 739 ? A ASP 144 
# 
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 
AEF C4   C N N 1   
AEF C5   C Y N 2   
AEF C6   C Y N 3   
AEF C7   C N N 4   
AEF C8   C Y N 5   
AEF O10  O N N 6   
AEF C3   C Y N 7   
AEF C2   C Y N 8   
AEF C1   C Y N 9   
AEF N9   N N N 10  
AEF H4   H N N 11  
AEF H4A  H N N 12  
AEF H5   H N N 13  
AEF H6   H N N 14  
AEF H7   H N N 15  
AEF H7A  H N N 16  
AEF HO10 H N N 17  
AEF H3   H N N 18  
AEF H2   H N N 19  
AEF HN9  H N N 20  
AEF HN9A H N N 21  
ALA N    N N N 22  
ALA CA   C N S 23  
ALA C    C N N 24  
ALA O    O N N 25  
ALA CB   C N N 26  
ALA OXT  O N N 27  
ALA H    H N N 28  
ALA H2   H N N 29  
ALA HA   H N N 30  
ALA HB1  H N N 31  
ALA HB2  H N N 32  
ALA HB3  H N N 33  
ALA HXT  H N N 34  
ARG N    N N N 35  
ARG CA   C N S 36  
ARG C    C N N 37  
ARG O    O N N 38  
ARG CB   C N N 39  
ARG CG   C N N 40  
ARG CD   C N N 41  
ARG NE   N N N 42  
ARG CZ   C N N 43  
ARG NH1  N N N 44  
ARG NH2  N N N 45  
ARG OXT  O N N 46  
ARG H    H N N 47  
ARG H2   H N N 48  
ARG HA   H N N 49  
ARG HB2  H N N 50  
ARG HB3  H N N 51  
ARG HG2  H N N 52  
ARG HG3  H N N 53  
ARG HD2  H N N 54  
ARG HD3  H N N 55  
ARG HE   H N N 56  
ARG HH11 H N N 57  
ARG HH12 H N N 58  
ARG HH21 H N N 59  
ARG HH22 H N N 60  
ARG HXT  H N N 61  
ASN N    N N N 62  
ASN CA   C N S 63  
ASN C    C N N 64  
ASN O    O N N 65  
ASN CB   C N N 66  
ASN CG   C N N 67  
ASN OD1  O N N 68  
ASN ND2  N N N 69  
ASN OXT  O N N 70  
ASN H    H N N 71  
ASN H2   H N N 72  
ASN HA   H N N 73  
ASN HB2  H N N 74  
ASN HB3  H N N 75  
ASN HD21 H N N 76  
ASN HD22 H N N 77  
ASN HXT  H N N 78  
ASP N    N N N 79  
ASP CA   C N S 80  
ASP C    C N N 81  
ASP O    O N N 82  
ASP CB   C N N 83  
ASP CG   C N N 84  
ASP OD1  O N N 85  
ASP OD2  O N N 86  
ASP OXT  O N N 87  
ASP H    H N N 88  
ASP H2   H N N 89  
ASP HA   H N N 90  
ASP HB2  H N N 91  
ASP HB3  H N N 92  
ASP HD2  H N N 93  
ASP HXT  H N N 94  
CYS N    N N N 95  
CYS CA   C N R 96  
CYS C    C N N 97  
CYS O    O N N 98  
CYS CB   C N N 99  
CYS SG   S N N 100 
CYS OXT  O N N 101 
CYS H    H N N 102 
CYS H2   H N N 103 
CYS HA   H N N 104 
CYS HB2  H N N 105 
CYS HB3  H N N 106 
CYS HG   H N N 107 
CYS HXT  H N N 108 
GLN N    N N N 109 
GLN CA   C N S 110 
GLN C    C N N 111 
GLN O    O N N 112 
GLN CB   C N N 113 
GLN CG   C N N 114 
GLN CD   C N N 115 
GLN OE1  O N N 116 
GLN NE2  N N N 117 
GLN OXT  O N N 118 
GLN H    H N N 119 
GLN H2   H N N 120 
GLN HA   H N N 121 
GLN HB2  H N N 122 
GLN HB3  H N N 123 
GLN HG2  H N N 124 
GLN HG3  H N N 125 
GLN HE21 H N N 126 
GLN HE22 H N N 127 
GLN HXT  H N N 128 
GLU N    N N N 129 
GLU CA   C N S 130 
GLU C    C N N 131 
GLU O    O N N 132 
GLU CB   C N N 133 
GLU CG   C N N 134 
GLU CD   C N N 135 
GLU OE1  O N N 136 
GLU OE2  O N N 137 
GLU OXT  O N N 138 
GLU H    H N N 139 
GLU H2   H N N 140 
GLU HA   H N N 141 
GLU HB2  H N N 142 
GLU HB3  H N N 143 
GLU HG2  H N N 144 
GLU HG3  H N N 145 
GLU HE2  H N N 146 
GLU HXT  H N N 147 
GLY N    N N N 148 
GLY CA   C N N 149 
GLY C    C N N 150 
GLY O    O N N 151 
GLY OXT  O N N 152 
GLY H    H N N 153 
GLY H2   H N N 154 
GLY HA2  H N N 155 
GLY HA3  H N N 156 
GLY HXT  H N N 157 
HIS N    N N N 158 
HIS CA   C N S 159 
HIS C    C N N 160 
HIS O    O N N 161 
HIS CB   C N N 162 
HIS CG   C Y N 163 
HIS ND1  N Y N 164 
HIS CD2  C Y N 165 
HIS CE1  C Y N 166 
HIS NE2  N Y N 167 
HIS OXT  O N N 168 
HIS H    H N N 169 
HIS H2   H N N 170 
HIS HA   H N N 171 
HIS HB2  H N N 172 
HIS HB3  H N N 173 
HIS HD1  H N N 174 
HIS HD2  H N N 175 
HIS HE1  H N N 176 
HIS HE2  H N N 177 
HIS HXT  H N N 178 
HOH O    O N N 179 
HOH H1   H N N 180 
HOH H2   H N N 181 
ILE N    N N N 182 
ILE CA   C N S 183 
ILE C    C N N 184 
ILE O    O N N 185 
ILE CB   C N S 186 
ILE CG1  C N N 187 
ILE CG2  C N N 188 
ILE CD1  C N N 189 
ILE OXT  O N N 190 
ILE H    H N N 191 
ILE H2   H N N 192 
ILE HA   H N N 193 
ILE HB   H N N 194 
ILE HG12 H N N 195 
ILE HG13 H N N 196 
ILE HG21 H N N 197 
ILE HG22 H N N 198 
ILE HG23 H N N 199 
ILE HD11 H N N 200 
ILE HD12 H N N 201 
ILE HD13 H N N 202 
ILE HXT  H N N 203 
LEU N    N N N 204 
LEU CA   C N S 205 
LEU C    C N N 206 
LEU O    O N N 207 
LEU CB   C N N 208 
LEU CG   C N N 209 
LEU CD1  C N N 210 
LEU CD2  C N N 211 
LEU OXT  O N N 212 
LEU H    H N N 213 
LEU H2   H N N 214 
LEU HA   H N N 215 
LEU HB2  H N N 216 
LEU HB3  H N N 217 
LEU HG   H N N 218 
LEU HD11 H N N 219 
LEU HD12 H N N 220 
LEU HD13 H N N 221 
LEU HD21 H N N 222 
LEU HD22 H N N 223 
LEU HD23 H N N 224 
LEU HXT  H N N 225 
LYS N    N N N 226 
LYS CA   C N S 227 
LYS C    C N N 228 
LYS O    O N N 229 
LYS CB   C N N 230 
LYS CG   C N N 231 
LYS CD   C N N 232 
LYS CE   C N N 233 
LYS NZ   N N N 234 
LYS OXT  O N N 235 
LYS H    H N N 236 
LYS H2   H N N 237 
LYS HA   H N N 238 
LYS HB2  H N N 239 
LYS HB3  H N N 240 
LYS HG2  H N N 241 
LYS HG3  H N N 242 
LYS HD2  H N N 243 
LYS HD3  H N N 244 
LYS HE2  H N N 245 
LYS HE3  H N N 246 
LYS HZ1  H N N 247 
LYS HZ2  H N N 248 
LYS HZ3  H N N 249 
LYS HXT  H N N 250 
MET N    N N N 251 
MET CA   C N S 252 
MET C    C N N 253 
MET O    O N N 254 
MET CB   C N N 255 
MET CG   C N N 256 
MET SD   S N N 257 
MET CE   C N N 258 
MET OXT  O N N 259 
MET H    H N N 260 
MET H2   H N N 261 
MET HA   H N N 262 
MET HB2  H N N 263 
MET HB3  H N N 264 
MET HG2  H N N 265 
MET HG3  H N N 266 
MET HE1  H N N 267 
MET HE2  H N N 268 
MET HE3  H N N 269 
MET HXT  H N N 270 
PHE N    N N N 271 
PHE CA   C N S 272 
PHE C    C N N 273 
PHE O    O N N 274 
PHE CB   C N N 275 
PHE CG   C Y N 276 
PHE CD1  C Y N 277 
PHE CD2  C Y N 278 
PHE CE1  C Y N 279 
PHE CE2  C Y N 280 
PHE CZ   C Y N 281 
PHE OXT  O N N 282 
PHE H    H N N 283 
PHE H2   H N N 284 
PHE HA   H N N 285 
PHE HB2  H N N 286 
PHE HB3  H N N 287 
PHE HD1  H N N 288 
PHE HD2  H N N 289 
PHE HE1  H N N 290 
PHE HE2  H N N 291 
PHE HZ   H N N 292 
PHE HXT  H N N 293 
PRO N    N N N 294 
PRO CA   C N S 295 
PRO C    C N N 296 
PRO O    O N N 297 
PRO CB   C N N 298 
PRO CG   C N N 299 
PRO CD   C N N 300 
PRO OXT  O N N 301 
PRO H    H N N 302 
PRO HA   H N N 303 
PRO HB2  H N N 304 
PRO HB3  H N N 305 
PRO HG2  H N N 306 
PRO HG3  H N N 307 
PRO HD2  H N N 308 
PRO HD3  H N N 309 
PRO HXT  H N N 310 
SER N    N N N 311 
SER CA   C N S 312 
SER C    C N N 313 
SER O    O N N 314 
SER CB   C N N 315 
SER OG   O N N 316 
SER OXT  O N N 317 
SER H    H N N 318 
SER H2   H N N 319 
SER HA   H N N 320 
SER HB2  H N N 321 
SER HB3  H N N 322 
SER HG   H N N 323 
SER HXT  H N N 324 
THR N    N N N 325 
THR CA   C N S 326 
THR C    C N N 327 
THR O    O N N 328 
THR CB   C N R 329 
THR OG1  O N N 330 
THR CG2  C N N 331 
THR OXT  O N N 332 
THR H    H N N 333 
THR H2   H N N 334 
THR HA   H N N 335 
THR HB   H N N 336 
THR HG1  H N N 337 
THR HG21 H N N 338 
THR HG22 H N N 339 
THR HG23 H N N 340 
THR HXT  H N N 341 
TRP N    N N N 342 
TRP CA   C N S 343 
TRP C    C N N 344 
TRP O    O N N 345 
TRP CB   C N N 346 
TRP CG   C Y N 347 
TRP CD1  C Y N 348 
TRP CD2  C Y N 349 
TRP NE1  N Y N 350 
TRP CE2  C Y N 351 
TRP CE3  C Y N 352 
TRP CZ2  C Y N 353 
TRP CZ3  C Y N 354 
TRP CH2  C Y N 355 
TRP OXT  O N N 356 
TRP H    H N N 357 
TRP H2   H N N 358 
TRP HA   H N N 359 
TRP HB2  H N N 360 
TRP HB3  H N N 361 
TRP HD1  H N N 362 
TRP HE1  H N N 363 
TRP HE3  H N N 364 
TRP HZ2  H N N 365 
TRP HZ3  H N N 366 
TRP HH2  H N N 367 
TRP HXT  H N N 368 
TYR N    N N N 369 
TYR CA   C N S 370 
TYR C    C N N 371 
TYR O    O N N 372 
TYR CB   C N N 373 
TYR CG   C Y N 374 
TYR CD1  C Y N 375 
TYR CD2  C Y N 376 
TYR CE1  C Y N 377 
TYR CE2  C Y N 378 
TYR CZ   C Y N 379 
TYR OH   O N N 380 
TYR OXT  O N N 381 
TYR H    H N N 382 
TYR H2   H N N 383 
TYR HA   H N N 384 
TYR HB2  H N N 385 
TYR HB3  H N N 386 
TYR HD1  H N N 387 
TYR HD2  H N N 388 
TYR HE1  H N N 389 
TYR HE2  H N N 390 
TYR HH   H N N 391 
TYR HXT  H N N 392 
VAL N    N N N 393 
VAL CA   C N S 394 
VAL C    C N N 395 
VAL O    O N N 396 
VAL CB   C N N 397 
VAL CG1  C N N 398 
VAL CG2  C N N 399 
VAL OXT  O N N 400 
VAL H    H N N 401 
VAL H2   H N N 402 
VAL HA   H N N 403 
VAL HB   H N N 404 
VAL HG11 H N N 405 
VAL HG12 H N N 406 
VAL HG13 H N N 407 
VAL HG21 H N N 408 
VAL HG22 H N N 409 
VAL HG23 H N N 410 
VAL HXT  H N N 411 
# 
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 
AEF C4  C7   sing N N 1   
AEF C4  C1   sing N N 2   
AEF C5  C8   doub Y N 3   
AEF C5  C2   sing Y N 4   
AEF C6  C8   sing Y N 5   
AEF C6  C3   doub Y N 6   
AEF C7  N9   sing N N 7   
AEF C8  O10  sing N N 8   
AEF C3  C1   sing Y N 9   
AEF C2  C1   doub Y N 10  
AEF C4  H4   sing N N 11  
AEF C4  H4A  sing N N 12  
AEF C5  H5   sing N N 13  
AEF C6  H6   sing N N 14  
AEF C7  H7   sing N N 15  
AEF C7  H7A  sing N N 16  
AEF O10 HO10 sing N N 17  
AEF C3  H3   sing N N 18  
AEF C2  H2   sing N N 19  
AEF N9  HN9  sing N N 20  
AEF N9  HN9A sing N N 21  
ALA N   CA   sing N N 22  
ALA N   H    sing N N 23  
ALA N   H2   sing N N 24  
ALA CA  C    sing N N 25  
ALA CA  CB   sing N N 26  
ALA CA  HA   sing N N 27  
ALA C   O    doub N N 28  
ALA C   OXT  sing N N 29  
ALA CB  HB1  sing N N 30  
ALA CB  HB2  sing N N 31  
ALA CB  HB3  sing N N 32  
ALA OXT HXT  sing N N 33  
ARG N   CA   sing N N 34  
ARG N   H    sing N N 35  
ARG N   H2   sing N N 36  
ARG CA  C    sing N N 37  
ARG CA  CB   sing N N 38  
ARG CA  HA   sing N N 39  
ARG C   O    doub N N 40  
ARG C   OXT  sing N N 41  
ARG CB  CG   sing N N 42  
ARG CB  HB2  sing N N 43  
ARG CB  HB3  sing N N 44  
ARG CG  CD   sing N N 45  
ARG CG  HG2  sing N N 46  
ARG CG  HG3  sing N N 47  
ARG CD  NE   sing N N 48  
ARG CD  HD2  sing N N 49  
ARG CD  HD3  sing N N 50  
ARG NE  CZ   sing N N 51  
ARG NE  HE   sing N N 52  
ARG CZ  NH1  sing N N 53  
ARG CZ  NH2  doub N N 54  
ARG NH1 HH11 sing N N 55  
ARG NH1 HH12 sing N N 56  
ARG NH2 HH21 sing N N 57  
ARG NH2 HH22 sing N N 58  
ARG OXT HXT  sing N N 59  
ASN N   CA   sing N N 60  
ASN N   H    sing N N 61  
ASN N   H2   sing N N 62  
ASN CA  C    sing N N 63  
ASN CA  CB   sing N N 64  
ASN CA  HA   sing N N 65  
ASN C   O    doub N N 66  
ASN C   OXT  sing N N 67  
ASN CB  CG   sing N N 68  
ASN CB  HB2  sing N N 69  
ASN CB  HB3  sing N N 70  
ASN CG  OD1  doub N N 71  
ASN CG  ND2  sing N N 72  
ASN ND2 HD21 sing N N 73  
ASN ND2 HD22 sing N N 74  
ASN OXT HXT  sing N N 75  
ASP N   CA   sing N N 76  
ASP N   H    sing N N 77  
ASP N   H2   sing N N 78  
ASP CA  C    sing N N 79  
ASP CA  CB   sing N N 80  
ASP CA  HA   sing N N 81  
ASP C   O    doub N N 82  
ASP C   OXT  sing N N 83  
ASP CB  CG   sing N N 84  
ASP CB  HB2  sing N N 85  
ASP CB  HB3  sing N N 86  
ASP CG  OD1  doub N N 87  
ASP CG  OD2  sing N N 88  
ASP OD2 HD2  sing N N 89  
ASP OXT HXT  sing N N 90  
CYS N   CA   sing N N 91  
CYS N   H    sing N N 92  
CYS N   H2   sing N N 93  
CYS CA  C    sing N N 94  
CYS CA  CB   sing N N 95  
CYS CA  HA   sing N N 96  
CYS C   O    doub N N 97  
CYS C   OXT  sing N N 98  
CYS CB  SG   sing N N 99  
CYS CB  HB2  sing N N 100 
CYS CB  HB3  sing N N 101 
CYS SG  HG   sing N N 102 
CYS OXT HXT  sing N N 103 
GLN N   CA   sing N N 104 
GLN N   H    sing N N 105 
GLN N   H2   sing N N 106 
GLN CA  C    sing N N 107 
GLN CA  CB   sing N N 108 
GLN CA  HA   sing N N 109 
GLN C   O    doub N N 110 
GLN C   OXT  sing N N 111 
GLN CB  CG   sing N N 112 
GLN CB  HB2  sing N N 113 
GLN CB  HB3  sing N N 114 
GLN CG  CD   sing N N 115 
GLN CG  HG2  sing N N 116 
GLN CG  HG3  sing N N 117 
GLN CD  OE1  doub N N 118 
GLN CD  NE2  sing N N 119 
GLN NE2 HE21 sing N N 120 
GLN NE2 HE22 sing N N 121 
GLN OXT HXT  sing N N 122 
GLU N   CA   sing N N 123 
GLU N   H    sing N N 124 
GLU N   H2   sing N N 125 
GLU CA  C    sing N N 126 
GLU CA  CB   sing N N 127 
GLU CA  HA   sing N N 128 
GLU C   O    doub N N 129 
GLU C   OXT  sing N N 130 
GLU CB  CG   sing N N 131 
GLU CB  HB2  sing N N 132 
GLU CB  HB3  sing N N 133 
GLU CG  CD   sing N N 134 
GLU CG  HG2  sing N N 135 
GLU CG  HG3  sing N N 136 
GLU CD  OE1  doub N N 137 
GLU CD  OE2  sing N N 138 
GLU OE2 HE2  sing N N 139 
GLU OXT HXT  sing N N 140 
GLY N   CA   sing N N 141 
GLY N   H    sing N N 142 
GLY N   H2   sing N N 143 
GLY CA  C    sing N N 144 
GLY CA  HA2  sing N N 145 
GLY CA  HA3  sing N N 146 
GLY C   O    doub N N 147 
GLY C   OXT  sing N N 148 
GLY OXT HXT  sing N N 149 
HIS N   CA   sing N N 150 
HIS N   H    sing N N 151 
HIS N   H2   sing N N 152 
HIS CA  C    sing N N 153 
HIS CA  CB   sing N N 154 
HIS CA  HA   sing N N 155 
HIS C   O    doub N N 156 
HIS C   OXT  sing N N 157 
HIS CB  CG   sing N N 158 
HIS CB  HB2  sing N N 159 
HIS CB  HB3  sing N N 160 
HIS CG  ND1  sing Y N 161 
HIS CG  CD2  doub Y N 162 
HIS ND1 CE1  doub Y N 163 
HIS ND1 HD1  sing N N 164 
HIS CD2 NE2  sing Y N 165 
HIS CD2 HD2  sing N N 166 
HIS CE1 NE2  sing Y N 167 
HIS CE1 HE1  sing N N 168 
HIS NE2 HE2  sing N N 169 
HIS OXT HXT  sing N N 170 
HOH O   H1   sing N N 171 
HOH O   H2   sing N N 172 
ILE N   CA   sing N N 173 
ILE N   H    sing N N 174 
ILE N   H2   sing N N 175 
ILE CA  C    sing N N 176 
ILE CA  CB   sing N N 177 
ILE CA  HA   sing N N 178 
ILE C   O    doub N N 179 
ILE C   OXT  sing N N 180 
ILE CB  CG1  sing N N 181 
ILE CB  CG2  sing N N 182 
ILE CB  HB   sing N N 183 
ILE CG1 CD1  sing N N 184 
ILE CG1 HG12 sing N N 185 
ILE CG1 HG13 sing N N 186 
ILE CG2 HG21 sing N N 187 
ILE CG2 HG22 sing N N 188 
ILE CG2 HG23 sing N N 189 
ILE CD1 HD11 sing N N 190 
ILE CD1 HD12 sing N N 191 
ILE CD1 HD13 sing N N 192 
ILE OXT HXT  sing N N 193 
LEU N   CA   sing N N 194 
LEU N   H    sing N N 195 
LEU N   H2   sing N N 196 
LEU CA  C    sing N N 197 
LEU CA  CB   sing N N 198 
LEU CA  HA   sing N N 199 
LEU C   O    doub N N 200 
LEU C   OXT  sing N N 201 
LEU CB  CG   sing N N 202 
LEU CB  HB2  sing N N 203 
LEU CB  HB3  sing N N 204 
LEU CG  CD1  sing N N 205 
LEU CG  CD2  sing N N 206 
LEU CG  HG   sing N N 207 
LEU CD1 HD11 sing N N 208 
LEU CD1 HD12 sing N N 209 
LEU CD1 HD13 sing N N 210 
LEU CD2 HD21 sing N N 211 
LEU CD2 HD22 sing N N 212 
LEU CD2 HD23 sing N N 213 
LEU OXT HXT  sing N N 214 
LYS N   CA   sing N N 215 
LYS N   H    sing N N 216 
LYS N   H2   sing N N 217 
LYS CA  C    sing N N 218 
LYS CA  CB   sing N N 219 
LYS CA  HA   sing N N 220 
LYS C   O    doub N N 221 
LYS C   OXT  sing N N 222 
LYS CB  CG   sing N N 223 
LYS CB  HB2  sing N N 224 
LYS CB  HB3  sing N N 225 
LYS CG  CD   sing N N 226 
LYS CG  HG2  sing N N 227 
LYS CG  HG3  sing N N 228 
LYS CD  CE   sing N N 229 
LYS CD  HD2  sing N N 230 
LYS CD  HD3  sing N N 231 
LYS CE  NZ   sing N N 232 
LYS CE  HE2  sing N N 233 
LYS CE  HE3  sing N N 234 
LYS NZ  HZ1  sing N N 235 
LYS NZ  HZ2  sing N N 236 
LYS NZ  HZ3  sing N N 237 
LYS OXT HXT  sing N N 238 
MET N   CA   sing N N 239 
MET N   H    sing N N 240 
MET N   H2   sing N N 241 
MET CA  C    sing N N 242 
MET CA  CB   sing N N 243 
MET CA  HA   sing N N 244 
MET C   O    doub N N 245 
MET C   OXT  sing N N 246 
MET CB  CG   sing N N 247 
MET CB  HB2  sing N N 248 
MET CB  HB3  sing N N 249 
MET CG  SD   sing N N 250 
MET CG  HG2  sing N N 251 
MET CG  HG3  sing N N 252 
MET SD  CE   sing N N 253 
MET CE  HE1  sing N N 254 
MET CE  HE2  sing N N 255 
MET CE  HE3  sing N N 256 
MET OXT HXT  sing N N 257 
PHE N   CA   sing N N 258 
PHE N   H    sing N N 259 
PHE N   H2   sing N N 260 
PHE CA  C    sing N N 261 
PHE CA  CB   sing N N 262 
PHE CA  HA   sing N N 263 
PHE C   O    doub N N 264 
PHE C   OXT  sing N N 265 
PHE CB  CG   sing N N 266 
PHE CB  HB2  sing N N 267 
PHE CB  HB3  sing N N 268 
PHE CG  CD1  doub Y N 269 
PHE CG  CD2  sing Y N 270 
PHE CD1 CE1  sing Y N 271 
PHE CD1 HD1  sing N N 272 
PHE CD2 CE2  doub Y N 273 
PHE CD2 HD2  sing N N 274 
PHE CE1 CZ   doub Y N 275 
PHE CE1 HE1  sing N N 276 
PHE CE2 CZ   sing Y N 277 
PHE CE2 HE2  sing N N 278 
PHE CZ  HZ   sing N N 279 
PHE OXT HXT  sing N N 280 
PRO N   CA   sing N N 281 
PRO N   CD   sing N N 282 
PRO N   H    sing N N 283 
PRO CA  C    sing N N 284 
PRO CA  CB   sing N N 285 
PRO CA  HA   sing N N 286 
PRO C   O    doub N N 287 
PRO C   OXT  sing N N 288 
PRO CB  CG   sing N N 289 
PRO CB  HB2  sing N N 290 
PRO CB  HB3  sing N N 291 
PRO CG  CD   sing N N 292 
PRO CG  HG2  sing N N 293 
PRO CG  HG3  sing N N 294 
PRO CD  HD2  sing N N 295 
PRO CD  HD3  sing N N 296 
PRO OXT HXT  sing N N 297 
SER N   CA   sing N N 298 
SER N   H    sing N N 299 
SER N   H2   sing N N 300 
SER CA  C    sing N N 301 
SER CA  CB   sing N N 302 
SER CA  HA   sing N N 303 
SER C   O    doub N N 304 
SER C   OXT  sing N N 305 
SER CB  OG   sing N N 306 
SER CB  HB2  sing N N 307 
SER CB  HB3  sing N N 308 
SER OG  HG   sing N N 309 
SER OXT HXT  sing N N 310 
THR N   CA   sing N N 311 
THR N   H    sing N N 312 
THR N   H2   sing N N 313 
THR CA  C    sing N N 314 
THR CA  CB   sing N N 315 
THR CA  HA   sing N N 316 
THR C   O    doub N N 317 
THR C   OXT  sing N N 318 
THR CB  OG1  sing N N 319 
THR CB  CG2  sing N N 320 
THR CB  HB   sing N N 321 
THR OG1 HG1  sing N N 322 
THR CG2 HG21 sing N N 323 
THR CG2 HG22 sing N N 324 
THR CG2 HG23 sing N N 325 
THR OXT HXT  sing N N 326 
TRP N   CA   sing N N 327 
TRP N   H    sing N N 328 
TRP N   H2   sing N N 329 
TRP CA  C    sing N N 330 
TRP CA  CB   sing N N 331 
TRP CA  HA   sing N N 332 
TRP C   O    doub N N 333 
TRP C   OXT  sing N N 334 
TRP CB  CG   sing N N 335 
TRP CB  HB2  sing N N 336 
TRP CB  HB3  sing N N 337 
TRP CG  CD1  doub Y N 338 
TRP CG  CD2  sing Y N 339 
TRP CD1 NE1  sing Y N 340 
TRP CD1 HD1  sing N N 341 
TRP CD2 CE2  doub Y N 342 
TRP CD2 CE3  sing Y N 343 
TRP NE1 CE2  sing Y N 344 
TRP NE1 HE1  sing N N 345 
TRP CE2 CZ2  sing Y N 346 
TRP CE3 CZ3  doub Y N 347 
TRP CE3 HE3  sing N N 348 
TRP CZ2 CH2  doub Y N 349 
TRP CZ2 HZ2  sing N N 350 
TRP CZ3 CH2  sing Y N 351 
TRP CZ3 HZ3  sing N N 352 
TRP CH2 HH2  sing N N 353 
TRP OXT HXT  sing N N 354 
TYR N   CA   sing N N 355 
TYR N   H    sing N N 356 
TYR N   H2   sing N N 357 
TYR CA  C    sing N N 358 
TYR CA  CB   sing N N 359 
TYR CA  HA   sing N N 360 
TYR C   O    doub N N 361 
TYR C   OXT  sing N N 362 
TYR CB  CG   sing N N 363 
TYR CB  HB2  sing N N 364 
TYR CB  HB3  sing N N 365 
TYR CG  CD1  doub Y N 366 
TYR CG  CD2  sing Y N 367 
TYR CD1 CE1  sing Y N 368 
TYR CD1 HD1  sing N N 369 
TYR CD2 CE2  doub Y N 370 
TYR CD2 HD2  sing N N 371 
TYR CE1 CZ   doub Y N 372 
TYR CE1 HE1  sing N N 373 
TYR CE2 CZ   sing Y N 374 
TYR CE2 HE2  sing N N 375 
TYR CZ  OH   sing N N 376 
TYR OH  HH   sing N N 377 
TYR OXT HXT  sing N N 378 
VAL N   CA   sing N N 379 
VAL N   H    sing N N 380 
VAL N   H2   sing N N 381 
VAL CA  C    sing N N 382 
VAL CA  CB   sing N N 383 
VAL CA  HA   sing N N 384 
VAL C   O    doub N N 385 
VAL C   OXT  sing N N 386 
VAL CB  CG1  sing N N 387 
VAL CB  CG2  sing N N 388 
VAL CB  HB   sing N N 389 
VAL CG1 HG11 sing N N 390 
VAL CG1 HG12 sing N N 391 
VAL CG1 HG13 sing N N 392 
VAL CG2 HG21 sing N N 393 
VAL CG2 HG22 sing N N 394 
VAL CG2 HG23 sing N N 395 
VAL OXT HXT  sing N N 396 
# 
_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                    9HSC 
_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]   0.019804 
_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]   0.014505 
_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]   0.008443 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . LYS A 1 39  ? -15.22269 -12.34358 -44.97230 1.000 87.96304  ? 616 LYS A N   1 
ATOM   2    C CA  . LYS A 1 39  ? -14.36607 -11.50338 -44.15064 1.000 86.70008  ? 616 LYS A CA  1 
ATOM   3    C C   . LYS A 1 39  ? -14.92004 -11.39306 -42.73255 1.000 83.70942  ? 616 LYS A C   1 
ATOM   4    O O   . LYS A 1 39  ? -14.22686 -10.90385 -41.83477 1.000 83.80631  ? 616 LYS A O   1 
ATOM   5    C CB  . LYS A 1 39  ? -14.20433 -10.10716 -44.77841 1.000 86.67213  ? 616 LYS A CB  1 
ATOM   6    C CG  . LYS A 1 39  ? -12.77674 -9.79813  -45.23276 1.000 90.31205  ? 616 LYS A CG  1 
ATOM   7    C CD  . LYS A 1 39  ? -12.57321 -8.31200  -45.42977 1.000 89.76820  ? 616 LYS A CD  1 
ATOM   8    C CE  . LYS A 1 39  ? -12.78607 -7.59131  -44.10518 1.000 85.10640  ? 616 LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 39  ? -11.83125 -7.97905  -43.02866 1.000 82.71782  ? 616 LYS A NZ  1 
ATOM   10   N N   . ASN A 1 40  ? -16.15392 -11.86080 -42.51992 1.000 80.49086  ? 617 ASN A N   1 
ATOM   11   C CA  . ASN A 1 40  ? -16.84187 -11.64516 -41.24879 1.000 79.00945  ? 617 ASN A CA  1 
ATOM   12   C C   . ASN A 1 40  ? -16.53409 -12.75960 -40.24515 1.000 77.79379  ? 617 ASN A C   1 
ATOM   13   O O   . ASN A 1 40  ? -16.80732 -13.93945 -40.50166 1.000 79.47314  ? 617 ASN A O   1 
ATOM   14   C CB  . ASN A 1 40  ? -18.35389 -11.52463 -41.45623 1.000 76.84318  ? 617 ASN A CB  1 
ATOM   15   C CG  . ASN A 1 40  ? -19.07006 -10.97815 -40.21301 1.000 75.55508  ? 617 ASN A CG  1 
ATOM   16   O OD1 . ASN A 1 40  ? -19.45258 -11.73260 -39.32089 1.000 73.82682  ? 617 ASN A OD1 1 
ATOM   17   N ND2 . ASN A 1 40  ? -19.24225 -9.65575  -40.15681 1.000 74.60017  ? 617 ASN A ND2 1 
ATOM   18   N N   . VAL A 1 41  ? -16.01026 -12.36697 -39.08226 1.000 58.53394  ? 618 VAL A N   1 
ATOM   19   C CA  . VAL A 1 41  ? -15.50067 -13.28244 -38.05953 1.000 59.67448  ? 618 VAL A CA  1 
ATOM   20   C C   . VAL A 1 41  ? -16.50877 -13.35467 -36.91890 1.000 56.04018  ? 618 VAL A C   1 
ATOM   21   O O   . VAL A 1 41  ? -16.86597 -12.32651 -36.33295 1.000 52.97542  ? 618 VAL A O   1 
ATOM   22   C CB  . VAL A 1 41  ? -14.12138 -12.82695 -37.55289 1.000 58.54830  ? 618 VAL A CB  1 
ATOM   23   C CG1 . VAL A 1 41  ? -13.53014 -13.84460 -36.61638 1.000 55.60858  ? 618 VAL A CG1 1 
ATOM   24   C CG2 . VAL A 1 41  ? -13.17851 -12.58251 -38.73384 1.000 61.63980  ? 618 VAL A CG2 1 
ATOM   25   N N   . VAL A 1 42  ? -16.96305 -14.56452 -36.59363 1.000 53.83614  ? 619 VAL A N   1 
ATOM   26   C CA  . VAL A 1 42  ? -17.90437 -14.76684 -35.49406 1.000 52.13707  ? 619 VAL A CA  1 
ATOM   27   C C   . VAL A 1 42  ? -17.12897 -14.87209 -34.18015 1.000 50.92987  ? 619 VAL A C   1 
ATOM   28   O O   . VAL A 1 42  ? -16.28871 -15.76248 -34.01279 1.000 50.35390  ? 619 VAL A O   1 
ATOM   29   C CB  . VAL A 1 42  ? -18.76270 -16.01847 -35.72412 1.000 52.59371  ? 619 VAL A CB  1 
ATOM   30   C CG1 . VAL A 1 42  ? -19.74212 -16.18580 -34.57466 1.000 49.62243  ? 619 VAL A CG1 1 
ATOM   31   C CG2 . VAL A 1 42  ? -19.47536 -15.92569 -37.04082 1.000 49.12471  ? 619 VAL A CG2 1 
ATOM   32   N N   . ILE A 1 43  ? -17.41081 -13.96773 -33.24551 1.000 49.78303  ? 620 ILE A N   1 
ATOM   33   C CA  . ILE A 1 43  ? -16.76133 -13.94516 -31.93697 1.000 50.53562  ? 620 ILE A CA  1 
ATOM   34   C C   . ILE A 1 43  ? -17.78247 -14.33775 -30.87356 1.000 50.33818  ? 620 ILE A C   1 
ATOM   35   O O   . ILE A 1 43  ? -18.94834 -13.92198 -30.92947 1.000 48.54403  ? 620 ILE A O   1 
ATOM   36   C CB  . ILE A 1 43  ? -16.16739 -12.55773 -31.62124 1.000 49.97493  ? 620 ILE A CB  1 
ATOM   37   C CG1 . ILE A 1 43  ? -15.19524 -12.10028 -32.71652 1.000 52.01737  ? 620 ILE A CG1 1 
ATOM   38   C CG2 . ILE A 1 43  ? -15.48077 -12.57341 -30.25566 1.000 47.57953  ? 620 ILE A CG2 1 
ATOM   39   C CD1 . ILE A 1 43  ? -13.84005 -12.73679 -32.65280 1.000 54.43340  ? 620 ILE A CD1 1 
ATOM   40   N N   . TYR A 1 44  ? -17.34612 -15.11812 -29.88804 1.000 51.55069  ? 621 TYR A N   1 
ATOM   41   C CA  . TYR A 1 44  ? -18.21560 -15.52865 -28.78996 1.000 52.33491  ? 621 TYR A CA  1 
ATOM   42   C C   . TYR A 1 44  ? -17.58859 -15.12440 -27.46790 1.000 50.00032  ? 621 TYR A C   1 
ATOM   43   O O   . TYR A 1 44  ? -16.41039 -15.42114 -27.22016 1.000 48.75257  ? 621 TYR A O   1 
ATOM   44   C CB  . TYR A 1 44  ? -18.46564 -17.03826 -28.79413 1.000 51.22028  ? 621 TYR A CB  1 
ATOM   45   C CG  . TYR A 1 44  ? -19.36127 -17.51942 -27.67167 1.000 49.40141  ? 621 TYR A CG  1 
ATOM   46   C CD1 . TYR A 1 44  ? -20.73273 -17.31687 -27.71918 1.000 49.21158  ? 621 TYR A CD1 1 
ATOM   47   C CD2 . TYR A 1 44  ? -18.83251 -18.18399 -26.57070 1.000 49.47091  ? 621 TYR A CD2 1 
ATOM   48   C CE1 . TYR A 1 44  ? -21.55911 -17.75497 -26.68784 1.000 49.28575  ? 621 TYR A CE1 1 
ATOM   49   C CE2 . TYR A 1 44  ? -19.64357 -18.63515 -25.53494 1.000 46.77906  ? 621 TYR A CE2 1 
ATOM   50   C CZ  . TYR A 1 44  ? -21.00946 -18.42224 -25.60092 1.000 48.63578  ? 621 TYR A CZ  1 
ATOM   51   O OH  . TYR A 1 44  ? -21.83285 -18.84813 -24.56877 1.000 47.83976  ? 621 TYR A OH  1 
ATOM   52   N N   . ALA A 1 45  ? -18.38510 -14.46644 -26.61869 1.000 52.25561  ? 622 ALA A N   1 
ATOM   53   C CA  . ALA A 1 45  ? -17.99824 -14.10848 -25.25820 1.000 50.59646  ? 622 ALA A CA  1 
ATOM   54   C C   . ALA A 1 45  ? -19.10791 -14.53464 -24.30333 1.000 50.56361  ? 622 ALA A C   1 
ATOM   55   O O   . ALA A 1 45  ? -20.29267 -14.43297 -24.63871 1.000 52.83891  ? 622 ALA A O   1 
ATOM   56   C CB  . ALA A 1 45  ? -17.73900 -12.60253 -25.15101 1.000 48.14336  ? 622 ALA A CB  1 
ATOM   57   N N   . ASP A 1 46  ? -18.74583 -15.01902 -23.12070 1.000 54.56030  ? 623 ASP A N   1 
ATOM   58   C CA  . ASP A 1 46  ? -19.77384 -15.39899 -22.15904 1.000 54.88296  ? 623 ASP A CA  1 
ATOM   59   C C   . ASP A 1 46  ? -19.45403 -14.82656 -20.77916 1.000 55.87587  ? 623 ASP A C   1 
ATOM   60   O O   . ASP A 1 46  ? -18.35172 -14.33404 -20.51729 1.000 55.75326  ? 623 ASP A O   1 
ATOM   61   C CB  . ASP A 1 46  ? -19.97542 -16.92861 -22.10961 1.000 56.39913  ? 623 ASP A CB  1 
ATOM   62   C CG  . ASP A 1 46  ? -18.72941 -17.70451 -21.65651 1.000 58.34785  ? 623 ASP A CG  1 
ATOM   63   O OD1 . ASP A 1 46  ? -17.81354 -17.12257 -21.02763 1.000 57.29096  ? 623 ASP A OD1 1 
ATOM   64   O OD2 . ASP A 1 46  ? -18.68643 -18.93504 -21.89928 1.000 57.94756  ? 623 ASP A OD2 1 
ATOM   65   N N   . GLY A 1 47  ? -20.43977 -14.89327 -19.89032 1.000 51.19933  ? 624 GLY A N   1 
ATOM   66   C CA  . GLY A 1 47  ? -20.29633 -14.27292 -18.58722 1.000 51.74810  ? 624 GLY A CA  1 
ATOM   67   C C   . GLY A 1 47  ? -21.62055 -14.19888 -17.86289 1.000 53.39232  ? 624 GLY A C   1 
ATOM   68   O O   . GLY A 1 47  ? -22.67325 -14.59398 -18.37448 1.000 51.01767  ? 624 GLY A O   1 
ATOM   69   N N   . VAL A 1 48  ? -21.53896 -13.72004 -16.61784 1.000 53.41519  ? 625 VAL A N   1 
ATOM   70   C CA  . VAL A 1 48  ? -22.74195 -13.48709 -15.82529 1.000 52.55649  ? 625 VAL A CA  1 
ATOM   71   C C   . VAL A 1 48  ? -23.38535 -12.15500 -16.21696 1.000 52.01764  ? 625 VAL A C   1 
ATOM   72   O O   . VAL A 1 48  ? -24.60483 -12.06239 -16.38538 1.000 52.02728  ? 625 VAL A O   1 
ATOM   73   C CB  . VAL A 1 48  ? -22.41590 -13.54195 -14.32099 1.000 53.68509  ? 625 VAL A CB  1 
ATOM   74   C CG1 . VAL A 1 48  ? -23.69216 -13.39872 -13.48530 1.000 55.22488  ? 625 VAL A CG1 1 
ATOM   75   C CG2 . VAL A 1 48  ? -21.70811 -14.86120 -13.93816 1.000 55.01538  ? 625 VAL A CG2 1 
ATOM   76   N N   . TYR A 1 49  ? -22.57851 -11.10159 -16.36134 1.000 50.50937  ? 626 TYR A N   1 
ATOM   77   C CA  . TYR A 1 49  ? -23.07611 -9.74253  -16.64200 1.000 51.54969  ? 626 TYR A CA  1 
ATOM   78   C C   . TYR A 1 49  ? -24.12697 -9.28089  -15.61431 1.000 54.63867  ? 626 TYR A C   1 
ATOM   79   O O   . TYR A 1 49  ? -25.12377 -8.62422  -15.95073 1.000 53.63724  ? 626 TYR A O   1 
ATOM   80   C CB  . TYR A 1 49  ? -23.60988 -9.65681  -18.07600 1.000 49.12445  ? 626 TYR A CB  1 
ATOM   81   C CG  . TYR A 1 49  ? -22.58493 -10.10416 -19.09354 1.000 49.73284  ? 626 TYR A CG  1 
ATOM   82   C CD1 . TYR A 1 49  ? -21.54555 -9.25787  -19.48242 1.000 49.42025  ? 626 TYR A CD1 1 
ATOM   83   C CD2 . TYR A 1 49  ? -22.63431 -11.38915 -19.65057 1.000 49.71150  ? 626 TYR A CD2 1 
ATOM   84   C CE1 . TYR A 1 49  ? -20.59195 -9.66873  -20.42628 1.000 47.94775  ? 626 TYR A CE1 1 
ATOM   85   C CE2 . TYR A 1 49  ? -21.68207 -11.80902 -20.58370 1.000 46.75926  ? 626 TYR A CE2 1 
ATOM   86   C CZ  . TYR A 1 49  ? -20.66541 -10.94189 -20.95933 1.000 46.12571  ? 626 TYR A CZ  1 
ATOM   87   O OH  . TYR A 1 49  ? -19.71496 -11.33918 -21.86334 1.000 44.82570  ? 626 TYR A OH  1 
ATOM   88   N N   . ASP A 1 50  ? -23.88743 -9.60633  -14.33656 1.000 52.96405  ? 627 ASP A N   1 
ATOM   89   C CA  . ASP A 1 50  ? -24.69404 -9.05402  -13.25557 1.000 55.25041  ? 627 ASP A CA  1 
ATOM   90   C C   . ASP A 1 50  ? -24.32705 -7.58617  -13.05499 1.000 57.68725  ? 627 ASP A C   1 
ATOM   91   O O   . ASP A 1 50  ? -23.15556 -7.21748  -13.15935 1.000 57.16946  ? 627 ASP A O   1 
ATOM   92   C CB  . ASP A 1 50  ? -24.46614 -9.84782  -11.95853 1.000 55.70460  ? 627 ASP A CB  1 
ATOM   93   C CG  . ASP A 1 50  ? -25.61542 -9.70773  -10.96663 1.000 59.41890  ? 627 ASP A CG  1 
ATOM   94   O OD1 . ASP A 1 50  ? -26.70556 -9.27191  -11.40321 1.000 61.02618  ? 627 ASP A OD1 1 
ATOM   95   O OD2 . ASP A 1 50  ? -25.43460 -10.04268 -9.74932  1.000 61.55090  ? 627 ASP A OD2 1 
ATOM   96   N N   . MET A 1 51  ? -25.33644 -6.74790  -12.79747 1.000 59.16347  ? 628 MET A N   1 
ATOM   97   C CA  . MET A 1 51  ? -25.17297 -5.30454  -12.55622 1.000 58.57203  ? 628 MET A CA  1 
ATOM   98   C C   . MET A 1 51  ? -24.20097 -4.65843  -13.55818 1.000 58.08127  ? 628 MET A C   1 
ATOM   99   O O   . MET A 1 51  ? -23.16325 -4.11004  -13.19257 1.000 57.46364  ? 628 MET A O   1 
ATOM   100  C CB  . MET A 1 51  ? -24.73200 -5.04988  -11.10391 1.000 59.61462  ? 628 MET A CB  1 
ATOM   101  C CG  . MET A 1 51  ? -25.61323 -5.69523  -10.05092 1.000 61.06359  ? 628 MET A CG  1 
ATOM   102  S SD  . MET A 1 51  ? -25.32679 -5.12528  -8.34795  1.000 74.65656  ? 628 MET A SD  1 
ATOM   103  C CE  . MET A 1 51  ? -23.88187 -6.09476  -7.87834  1.000 71.31124  ? 628 MET A CE  1 
ATOM   104  N N   . LEU A 1 52  ? -24.56375 -4.73093  -14.84919 1.000 50.01878  ? 629 LEU A N   1 
ATOM   105  C CA  . LEU A 1 52  ? -23.65170 -4.36373  -15.93181 1.000 47.39762  ? 629 LEU A CA  1 
ATOM   106  C C   . LEU A 1 52  ? -23.02478 -2.99647  -15.69894 1.000 47.57991  ? 629 LEU A C   1 
ATOM   107  O O   . LEU A 1 52  ? -23.73113 -2.01875  -15.45215 1.000 46.54799  ? 629 LEU A O   1 
ATOM   108  C CB  . LEU A 1 52  ? -24.40452 -4.35262  -17.26629 1.000 47.21283  ? 629 LEU A CB  1 
ATOM   109  C CG  . LEU A 1 52  ? -23.56491 -4.43534  -18.53984 1.000 47.78725  ? 629 LEU A CG  1 
ATOM   110  C CD1 . LEU A 1 52  ? -23.08578 -5.86263  -18.72758 1.000 47.54465  ? 629 LEU A CD1 1 
ATOM   111  C CD2 . LEU A 1 52  ? -24.38345 -4.00857  -19.76456 1.000 46.92274  ? 629 LEU A CD2 1 
ATOM   112  N N   . HIS A 1 53  ? -21.69919 -2.92025  -15.81541 1.000 51.96964  ? 630 HIS A N   1 
ATOM   113  C CA  . HIS A 1 53  ? -20.97546 -1.67353  -15.60296 1.000 55.07474  ? 630 HIS A CA  1 
ATOM   114  C C   . HIS A 1 53  ? -19.96034 -1.45226  -16.72628 1.000 56.57855  ? 630 HIS A C   1 
ATOM   115  O O   . HIS A 1 53  ? -19.83996 -2.24816  -17.66187 1.000 52.20561  ? 630 HIS A O   1 
ATOM   116  C CB  . HIS A 1 53  ? -20.27076 -1.66382  -14.23666 1.000 59.42496  ? 630 HIS A CB  1 
ATOM   117  C CG  . HIS A 1 53  ? -19.41023 -2.86445  -14.01677 1.000 60.63090  ? 630 HIS A CG  1 
ATOM   118  N ND1 . HIS A 1 53  ? -18.14614 -2.97952  -14.55950 1.000 61.34529  ? 630 HIS A ND1 1 
ATOM   119  C CD2 . HIS A 1 53  ? -19.63650 -4.01612  -13.33750 1.000 61.38980  ? 630 HIS A CD2 1 
ATOM   120  C CE1 . HIS A 1 53  ? -17.63060 -4.15179  -14.22841 1.000 63.57205  ? 630 HIS A CE1 1 
ATOM   121  N NE2 . HIS A 1 53  ? -18.51147 -4.79690  -13.48099 1.000 65.59013  ? 630 HIS A NE2 1 
ATOM   122  N N   . LEU A 1 54  ? -19.20481 -0.35369  -16.60188 1.000 52.78483  ? 631 LEU A N   1 
ATOM   123  C CA  . LEU A 1 54  ? -18.29067 0.07286   -17.66059 1.000 51.42407  ? 631 LEU A CA  1 
ATOM   124  C C   . LEU A 1 54  ? -17.20390 -0.95355  -17.93242 1.000 52.43362  ? 631 LEU A C   1 
ATOM   125  O O   . LEU A 1 54  ? -16.72318 -1.06005  -19.07088 1.000 52.15281  ? 631 LEU A O   1 
ATOM   126  C CB  . LEU A 1 54  ? -17.68518 1.42732   -17.29698 1.000 51.39379  ? 631 LEU A CB  1 
ATOM   127  C CG  . LEU A 1 54  ? -16.62772 2.01807   -18.21712 1.000 52.29493  ? 631 LEU A CG  1 
ATOM   128  C CD1 . LEU A 1 54  ? -17.23845 2.33489   -19.55163 1.000 50.87549  ? 631 LEU A CD1 1 
ATOM   129  C CD2 . LEU A 1 54  ? -16.11296 3.29361   -17.59711 1.000 52.29456  ? 631 LEU A CD2 1 
ATOM   130  N N   . GLY A 1 55  ? -16.82192 -1.73216  -16.92023 1.000 52.41743  ? 632 GLY A N   1 
ATOM   131  C CA  . GLY A 1 55  ? -15.84877 -2.79240  -17.13624 1.000 55.63753  ? 632 GLY A CA  1 
ATOM   132  C C   . GLY A 1 55  ? -16.34076 -3.87421  -18.08407 1.000 53.45166  ? 632 GLY A C   1 
ATOM   133  O O   . GLY A 1 55  ? -15.59452 -4.32322  -18.95858 1.000 50.21864  ? 632 GLY A O   1 
ATOM   134  N N   . HIS A 1 56  ? -17.59719 -4.31969  -17.91679 1.000 55.03102  ? 633 HIS A N   1 
ATOM   135  C CA  . HIS A 1 56  ? -18.19163 -5.26749  -18.86965 1.000 52.02105  ? 633 HIS A CA  1 
ATOM   136  C C   . HIS A 1 56  ? -18.24806 -4.66287  -20.26410 1.000 50.65970  ? 633 HIS A C   1 
ATOM   137  O O   . HIS A 1 56  ? -17.91902 -5.31908  -21.26237 1.000 44.68548  ? 633 HIS A O   1 
ATOM   138  C CB  . HIS A 1 56  ? -19.62044 -5.65078  -18.45866 1.000 51.67615  ? 633 HIS A CB  1 
ATOM   139  C CG  . HIS A 1 56  ? -19.74640 -6.35501  -17.13852 1.000 55.73016  ? 633 HIS A CG  1 
ATOM   140  N ND1 . HIS A 1 56  ? -20.44509 -5.81480  -16.07775 1.000 56.83326  ? 633 HIS A ND1 1 
ATOM   141  C CD2 . HIS A 1 56  ? -19.33032 -7.57783  -16.72839 1.000 57.49585  ? 633 HIS A CD2 1 
ATOM   142  C CE1 . HIS A 1 56  ? -20.41775 -6.65627  -15.05752 1.000 59.11975  ? 633 HIS A CE1 1 
ATOM   143  N NE2 . HIS A 1 56  ? -19.74642 -7.73381  -15.42481 1.000 60.59858  ? 633 HIS A NE2 1 
ATOM   144  N N   . MET A 1 57  ? -18.72840 -3.41645  -20.34970 1.000 47.28499  ? 634 MET A N   1 
ATOM   145  C CA  . MET A 1 57  ? -18.88830 -2.74479  -21.63786 1.000 45.41005  ? 634 MET A CA  1 
ATOM   146  C C   . MET A 1 57  ? -17.56446 -2.62703  -22.37796 1.000 42.86968  ? 634 MET A C   1 
ATOM   147  O O   . MET A 1 57  ? -17.50343 -2.87877  -23.58957 1.000 41.15504  ? 634 MET A O   1 
ATOM   148  C CB  . MET A 1 57  ? -19.50854 -1.36118  -21.42164 1.000 44.54094  ? 634 MET A CB  1 
ATOM   149  C CG  . MET A 1 57  ? -20.88437 -1.40902  -20.78609 1.000 47.62776  ? 634 MET A CG  1 
ATOM   150  S SD  . MET A 1 57  ? -21.53029 0.22378   -20.33119 1.000 50.75729  ? 634 MET A SD  1 
ATOM   151  C CE  . MET A 1 57  ? -22.88755 -0.27362  -19.27244 1.000 49.62955  ? 634 MET A CE  1 
ATOM   152  N N   . LYS A 1 58  ? -16.50090 -2.22012  -21.68041 1.000 52.52459  ? 635 LYS A N   1 
ATOM   153  C CA  . LYS A 1 58  ? -15.19032 -2.13383  -22.31727 1.000 53.76807  ? 635 LYS A CA  1 
ATOM   154  C C   . LYS A 1 58  ? -14.73069 -3.49925  -22.81891 1.000 55.07953  ? 635 LYS A C   1 
ATOM   155  O O   . LYS A 1 58  ? -14.15458 -3.59887  -23.91171 1.000 52.34191  ? 635 LYS A O   1 
ATOM   156  C CB  . LYS A 1 58  ? -14.16288 -1.54727  -21.34817 1.000 57.76472  ? 635 LYS A CB  1 
ATOM   157  C CG  . LYS A 1 58  ? -14.14632 -0.02818  -21.31242 1.000 61.28676  ? 635 LYS A CG  1 
ATOM   158  C CD  . LYS A 1 58  ? -13.55942 0.48686   -20.02012 1.000 61.57790  ? 635 LYS A CD  1 
ATOM   159  C CE  . LYS A 1 58  ? -12.08858 0.85410   -20.18151 1.000 66.11722  ? 635 LYS A CE  1 
ATOM   160  N NZ  . LYS A 1 58  ? -11.89181 1.93299   -21.19043 1.000 67.72469  ? 635 LYS A NZ  1 
ATOM   161  N N   . GLN A 1 59  ? -14.98662 -4.56449  -22.03831 1.000 55.37375  ? 636 GLN A N   1 
ATOM   162  C CA  . GLN A 1 59  ? -14.62633 -5.91931  -22.46374 1.000 55.84723  ? 636 GLN A CA  1 
ATOM   163  C C   . GLN A 1 59  ? -15.38515 -6.34484  -23.71615 1.000 51.55788  ? 636 GLN A C   1 
ATOM   164  O O   . GLN A 1 59  ? -14.79511 -6.90485  -24.64579 1.000 50.69456  ? 636 GLN A O   1 
ATOM   165  C CB  . GLN A 1 59  ? -14.88495 -6.91195  -21.33249 1.000 56.59706  ? 636 GLN A CB  1 
ATOM   166  C CG  . GLN A 1 59  ? -13.61942 -7.36966  -20.65932 1.000 63.98872  ? 636 GLN A CG  1 
ATOM   167  C CD  . GLN A 1 59  ? -13.78929 -8.63300  -19.80518 1.000 66.19740  ? 636 GLN A CD  1 
ATOM   168  O OE1 . GLN A 1 59  ? -14.69872 -8.71091  -18.96051 1.000 64.52222  ? 636 GLN A OE1 1 
ATOM   169  N NE2 . GLN A 1 59  ? -12.88205 -9.60878  -19.98989 1.000 68.08293  ? 636 GLN A NE2 1 
ATOM   170  N N   . LEU A 1 60  ? -16.69734 -6.10258  -23.74974 1.000 45.60101  ? 637 LEU A N   1 
ATOM   171  C CA  . LEU A 1 60  ? -17.48717 -6.37330  -24.94132 1.000 45.12002  ? 637 LEU A CA  1 
ATOM   172  C C   . LEU A 1 60  ? -16.95991 -5.60468  -26.15808 1.000 48.10460  ? 637 LEU A C   1 
ATOM   173  O O   . LEU A 1 60  ? -16.83838 -6.17054  -27.25287 1.000 46.94935  ? 637 LEU A O   1 
ATOM   174  C CB  . LEU A 1 60  ? -18.94828 -6.02704  -24.65964 1.000 45.16473  ? 637 LEU A CB  1 
ATOM   175  C CG  . LEU A 1 60  ? -19.56343 -6.93592  -23.59386 1.000 48.20672  ? 637 LEU A CG  1 
ATOM   176  C CD1 . LEU A 1 60  ? -20.93192 -6.42977  -23.11182 1.000 49.88412  ? 637 LEU A CD1 1 
ATOM   177  C CD2 . LEU A 1 60  ? -19.67635 -8.35784  -24.12191 1.000 43.79949  ? 637 LEU A CD2 1 
ATOM   178  N N   . GLU A 1 61  ? -16.63435 -4.31933  -25.98748 1.000 46.44131  ? 638 GLU A N   1 
ATOM   179  C CA  . GLU A 1 61  ? -16.09128 -3.52975  -27.09244 1.000 47.59716  ? 638 GLU A CA  1 
ATOM   180  C C   . GLU A 1 61  ? -14.81647 -4.15435  -27.62795 1.000 47.91601  ? 638 GLU A C   1 
ATOM   181  O O   . GLU A 1 61  ? -14.63990 -4.29658  -28.84108 1.000 46.56527  ? 638 GLU A O   1 
ATOM   182  C CB  . GLU A 1 61  ? -15.81730 -2.09343  -26.63656 1.000 48.31088  ? 638 GLU A CB  1 
ATOM   183  C CG  . GLU A 1 61  ? -15.33330 -1.16047  -27.74719 1.000 47.76050  ? 638 GLU A CG  1 
ATOM   184  C CD  . GLU A 1 61  ? -14.83022 0.19429   -27.23603 1.000 50.08286  ? 638 GLU A CD  1 
ATOM   185  O OE1 . GLU A 1 61  ? -14.58831 0.34331   -26.01117 1.000 50.72179  ? 638 GLU A OE1 1 
ATOM   186  O OE2 . GLU A 1 61  ? -14.64617 1.10864   -28.07623 1.000 50.21421  ? 638 GLU A OE2 1 
ATOM   187  N N   . GLN A 1 62  ? -13.91621 -4.54428  -26.73204 1.000 53.37680  ? 639 GLN A N   1 
ATOM   188  C CA  . GLN A 1 62  ? -12.64726 -5.10904  -27.16525 1.000 56.58619  ? 639 GLN A CA  1 
ATOM   189  C C   . GLN A 1 62  ? -12.86389 -6.40574  -27.95378 1.000 55.76152  ? 639 GLN A C   1 
ATOM   190  O O   . GLN A 1 62  ? -12.23912 -6.62285  -29.00069 1.000 55.00615  ? 639 GLN A O   1 
ATOM   191  C CB  . GLN A 1 62  ? -11.76249 -5.34914  -25.94587 1.000 58.38490  ? 639 GLN A CB  1 
ATOM   192  C CG  . GLN A 1 62  ? -10.40243 -5.90159  -26.30573 1.000 65.04107  ? 639 GLN A CG  1 
ATOM   193  C CD  . GLN A 1 62  ? -9.49661  -6.04408  -25.10093 1.000 68.32225  ? 639 GLN A CD  1 
ATOM   194  O OE1 . GLN A 1 62  ? -9.89551  -5.74578  -23.97128 1.000 66.95954  ? 639 GLN A OE1 1 
ATOM   195  N NE2 . GLN A 1 62  ? -8.27150  -6.52358  -25.33119 1.000 70.52764  ? 639 GLN A NE2 1 
ATOM   196  N N   . ALA A 1 63  ? -13.76373 -7.27364  -27.48058 1.000 49.67875  ? 640 ALA A N   1 
ATOM   197  C CA  . ALA A 1 63  ? -14.08142 -8.47766  -28.24775 1.000 49.40992  ? 640 ALA A CA  1 
ATOM   198  C C   . ALA A 1 63  ? -14.65080 -8.12163  -29.61684 1.000 49.15652  ? 640 ALA A C   1 
ATOM   199  O O   . ALA A 1 63  ? -14.24955 -8.69847  -30.63777 1.000 50.38328  ? 640 ALA A O   1 
ATOM   200  C CB  . ALA A 1 63  ? -15.06049 -9.35975  -27.47560 1.000 43.92160  ? 640 ALA A CB  1 
ATOM   201  N N   . LYS A 1 64  ? -15.57154 -7.15338  -29.65968 1.000 46.96341  ? 641 LYS A N   1 
ATOM   202  C CA  . LYS A 1 64  ? -16.18577 -6.76869  -30.92255 1.000 46.31236  ? 641 LYS A CA  1 
ATOM   203  C C   . LYS A 1 64  ? -15.15262 -6.23755  -31.91434 1.000 50.00634  ? 641 LYS A C   1 
ATOM   204  O O   . LYS A 1 64  ? -15.30154 -6.43683  -33.12661 1.000 48.35136  ? 641 LYS A O   1 
ATOM   205  C CB  . LYS A 1 64  ? -17.29558 -5.73385  -30.67525 1.000 46.05080  ? 641 LYS A CB  1 
ATOM   206  C CG  . LYS A 1 64  ? -17.83421 -5.05535  -31.94133 1.000 46.00513  ? 641 LYS A CG  1 
ATOM   207  C CD  . LYS A 1 64  ? -18.89012 -5.91071  -32.65918 1.000 44.81939  ? 641 LYS A CD  1 
ATOM   208  C CE  . LYS A 1 64  ? -19.39645 -5.20884  -33.89708 1.000 45.74174  ? 641 LYS A CE  1 
ATOM   209  N NZ  . LYS A 1 64  ? -19.88861 -6.17356  -34.92446 1.000 46.67225  ? 641 LYS A NZ  1 
ATOM   210  N N   . LYS A 1 65  ? -14.08021 -5.60681  -31.43371 1.000 50.03680  ? 642 LYS A N   1 
ATOM   211  C CA  . LYS A 1 65  ? -13.10464 -4.98466  -32.32117 1.000 53.44691  ? 642 LYS A CA  1 
ATOM   212  C C   . LYS A 1 65  ? -11.85321 -5.83068  -32.52677 1.000 51.85363  ? 642 LYS A C   1 
ATOM   213  O O   . LYS A 1 65  ? -10.84146 -5.31622  -33.02162 1.000 55.77437  ? 642 LYS A O   1 
ATOM   214  C CB  . LYS A 1 65  ? -12.72617 -3.60179  -31.79968 1.000 50.42936  ? 642 LYS A CB  1 
ATOM   215  C CG  . LYS A 1 65  ? -13.90966 -2.65964  -31.75092 1.000 51.65096  ? 642 LYS A CG  1 
ATOM   216  C CD  . LYS A 1 65  ? -13.52081 -1.28220  -31.26261 1.000 50.04847  ? 642 LYS A CD  1 
ATOM   217  C CE  . LYS A 1 65  ? -14.71868 -0.36428  -31.34220 1.000 50.36353  ? 642 LYS A CE  1 
ATOM   218  N NZ  . LYS A 1 65  ? -14.42641 1.00177   -30.79987 1.000 45.64447  ? 642 LYS A NZ  1 
ATOM   219  N N   . LEU A 1 66  ? -11.90488 -7.11617  -32.17889 1.000 50.32337  ? 643 LEU A N   1 
ATOM   220  C CA  . LEU A 1 66  ? -10.76928 -7.99939  -32.43023 1.000 54.07709  ? 643 LEU A CA  1 
ATOM   221  C C   . LEU A 1 66  ? -10.40617 -8.06714  -33.91116 1.000 53.64201  ? 643 LEU A C   1 
ATOM   222  O O   . LEU A 1 66  ? -9.22249  -8.18144  -34.24672 1.000 56.59573  ? 643 LEU A O   1 
ATOM   223  C CB  . LEU A 1 66  ? -11.07245 -9.40076  -31.91192 1.000 49.72923  ? 643 LEU A CB  1 
ATOM   224  C CG  . LEU A 1 66  ? -10.97070 -9.53852  -30.40287 1.000 50.84307  ? 643 LEU A CG  1 
ATOM   225  C CD1 . LEU A 1 66  ? -11.52041 -10.88894 -29.94924 1.000 49.64242  ? 643 LEU A CD1 1 
ATOM   226  C CD2 . LEU A 1 66  ? -9.51522  -9.36975  -30.00659 1.000 48.47999  ? 643 LEU A CD2 1 
ATOM   227  N N   . PHE A 1 67  ? -11.39857 -8.02840  -34.80648 1.000 55.79685  ? 644 PHE A N   1 
ATOM   228  C CA  . PHE A 1 67  ? -11.17251 -7.98287  -36.24979 1.000 59.64518  ? 644 PHE A CA  1 
ATOM   229  C C   . PHE A 1 67  ? -12.02689 -6.88203  -36.87200 1.000 62.76209  ? 644 PHE A C   1 
ATOM   230  O O   . PHE A 1 67  ? -12.93586 -6.34138  -36.23772 1.000 58.23593  ? 644 PHE A O   1 
ATOM   231  C CB  . PHE A 1 67  ? -11.47497 -9.33737  -36.90589 1.000 59.64818  ? 644 PHE A CB  1 
ATOM   232  C CG  . PHE A 1 67  ? -10.60874 -10.44039 -36.39113 1.000 60.19682  ? 644 PHE A CG  1 
ATOM   233  C CD1 . PHE A 1 67  ? -9.32695  -10.62227 -36.88900 1.000 61.63068  ? 644 PHE A CD1 1 
ATOM   234  C CD2 . PHE A 1 67  ? -11.05341 -11.25597 -35.36910 1.000 56.40921  ? 644 PHE A CD2 1 
ATOM   235  C CE1 . PHE A 1 67  ? -8.51225  -11.61976 -36.39136 1.000 60.81021  ? 644 PHE A CE1 1 
ATOM   236  C CE2 . PHE A 1 67  ? -10.25239 -12.25132 -34.86461 1.000 56.93242  ? 644 PHE A CE2 1 
ATOM   237  C CZ  . PHE A 1 67  ? -8.97809  -12.44066 -35.37633 1.000 58.39623  ? 644 PHE A CZ  1 
ATOM   238  N N   . GLU A 1 68  ? -11.73675 -6.57361  -38.14631 1.000 65.52697  ? 645 GLU A N   1 
ATOM   239  C CA  . GLU A 1 68  ? -12.40820 -5.46211  -38.81679 1.000 65.72224  ? 645 GLU A CA  1 
ATOM   240  C C   . GLU A 1 68  ? -13.89953 -5.72513  -38.95912 1.000 65.46321  ? 645 GLU A C   1 
ATOM   241  O O   . GLU A 1 68  ? -14.71839 -4.80786  -38.83667 1.000 65.91984  ? 645 GLU A O   1 
ATOM   242  C CB  . GLU A 1 68  ? -11.78700 -5.22222  -40.19205 1.000 70.12012  ? 645 GLU A CB  1 
ATOM   243  N N   . ASN A 1 69  ? -14.26954 -6.97600  -39.20347 1.000 68.34477  ? 646 ASN A N   1 
ATOM   244  C CA  . ASN A 1 69  ? -15.61801 -7.34414  -39.62379 1.000 70.63852  ? 646 ASN A CA  1 
ATOM   245  C C   . ASN A 1 69  ? -16.03689 -8.50065  -38.72590 1.000 68.24348  ? 646 ASN A C   1 
ATOM   246  O O   . ASN A 1 69  ? -15.62148 -9.63893  -38.95224 1.000 65.07316  ? 646 ASN A O   1 
ATOM   247  C CB  . ASN A 1 69  ? -15.61626 -7.73664  -41.10100 1.000 72.28781  ? 646 ASN A CB  1 
ATOM   248  C CG  . ASN A 1 69  ? -16.24014 -6.68224  -41.99124 1.000 78.26099  ? 646 ASN A CG  1 
ATOM   249  O OD1 . ASN A 1 69  ? -16.26994 -5.50149  -41.63629 1.000 77.22214  ? 646 ASN A OD1 1 
ATOM   250  N ND2 . ASN A 1 69  ? -16.65414 -7.08555  -43.20307 1.000 82.39472  ? 646 ASN A ND2 1 
ATOM   251  N N   . THR A 1 70  ? -16.82976 -8.21431  -37.69618 1.000 58.61406  ? 647 THR A N   1 
ATOM   252  C CA  . THR A 1 70  ? -17.17946 -9.23004  -36.71473 1.000 55.08281  ? 647 THR A CA  1 
ATOM   253  C C   . THR A 1 70  ? -18.68169 -9.29763  -36.47931 1.000 55.09522  ? 647 THR A C   1 
ATOM   254  O O   . THR A 1 70  ? -19.43271 -8.34388  -36.72606 1.000 53.79108  ? 647 THR A O   1 
ATOM   255  C CB  . THR A 1 70  ? -16.52077 -8.98478  -35.36289 1.000 53.32600  ? 647 THR A CB  1 
ATOM   256  O OG1 . THR A 1 70  ? -17.09557 -7.80765  -34.78068 1.000 50.05211  ? 647 THR A OG1 1 
ATOM   257  C CG2 . THR A 1 70  ? -15.02136 -8.81054  -35.53451 1.000 53.99979  ? 647 THR A CG2 1 
ATOM   258  N N   . THR A 1 71  ? -19.09631 -10.46354 -35.98542 1.000 53.28397  ? 648 THR A N   1 
ATOM   259  C CA  . THR A 1 71  ? -20.38001 -10.66599 -35.33053 1.000 51.37085  ? 648 THR A CA  1 
ATOM   260  C C   . THR A 1 71  ? -20.06367 -11.17037 -33.93567 1.000 50.37165  ? 648 THR A C   1 
ATOM   261  O O   . THR A 1 71  ? -19.46468 -12.24391 -33.78989 1.000 47.83829  ? 648 THR A O   1 
ATOM   262  C CB  . THR A 1 71  ? -21.25350 -11.67322 -36.08514 1.000 48.31896  ? 648 THR A CB  1 
ATOM   263  O OG1 . THR A 1 71  ? -21.67869 -11.10371 -37.32267 1.000 51.94577  ? 648 THR A OG1 1 
ATOM   264  C CG2 . THR A 1 71  ? -22.49174 -11.98980 -35.29106 1.000 48.15185  ? 648 THR A CG2 1 
ATOM   265  N N   . LEU A 1 72  ? -20.42238 -10.38553 -32.91870 1.000 51.38759  ? 649 LEU A N   1 
ATOM   266  C CA  . LEU A 1 72  ? -20.16756 -10.73488 -31.52092 1.000 47.80337  ? 649 LEU A CA  1 
ATOM   267  C C   . LEU A 1 72  ? -21.41708 -11.39560 -30.95225 1.000 46.28230  ? 649 LEU A C   1 
ATOM   268  O O   . LEU A 1 72  ? -22.47934 -10.76213 -30.88420 1.000 45.39757  ? 649 LEU A O   1 
ATOM   269  C CB  . LEU A 1 72  ? -19.79278 -9.50092  -30.70027 1.000 44.74593  ? 649 LEU A CB  1 
ATOM   270  C CG  . LEU A 1 72  ? -19.67983 -9.73178  -29.17294 1.000 45.20400  ? 649 LEU A CG  1 
ATOM   271  C CD1 . LEU A 1 72  ? -18.55276 -10.70174 -28.81033 1.000 38.23218  ? 649 LEU A CD1 1 
ATOM   272  C CD2 . LEU A 1 72  ? -19.51576 -8.40522  -28.42931 1.000 39.93032  ? 649 LEU A CD2 1 
ATOM   273  N N   . ILE A 1 73  ? -21.29548 -12.67431 -30.57302 1.000 44.53474  ? 650 ILE A N   1 
ATOM   274  C CA  . ILE A 1 73  ? -22.32408 -13.40385 -29.82419 1.000 46.37592  ? 650 ILE A CA  1 
ATOM   275  C C   . ILE A 1 73  ? -21.94964 -13.37019 -28.35151 1.000 44.74196  ? 650 ILE A C   1 
ATOM   276  O O   . ILE A 1 73  ? -20.78992 -13.59822 -27.99074 1.000 45.06703  ? 650 ILE A O   1 
ATOM   277  C CB  . ILE A 1 73  ? -22.45425 -14.85585 -30.31990 1.000 46.34288  ? 650 ILE A CB  1 
ATOM   278  C CG1 . ILE A 1 73  ? -22.60753 -14.86420 -31.84382 1.000 47.39237  ? 650 ILE A CG1 1 
ATOM   279  C CG2 . ILE A 1 73  ? -23.60391 -15.56607 -29.61851 1.000 43.45794  ? 650 ILE A CG2 1 
ATOM   280  C CD1 . ILE A 1 73  ? -22.62536 -16.24396 -32.48753 1.000 46.84134  ? 650 ILE A CD1 1 
ATOM   281  N N   . VAL A 1 74  ? -22.91230 -13.07157 -27.49477 1.000 47.04519  ? 651 VAL A N   1 
ATOM   282  C CA  . VAL A 1 74  ? -22.65823 -12.97328 -26.06197 1.000 45.60406  ? 651 VAL A CA  1 
ATOM   283  C C   . VAL A 1 74  ? -23.51779 -14.01110 -25.36439 1.000 46.97031  ? 651 VAL A C   1 
ATOM   284  O O   . VAL A 1 74  ? -24.73843 -14.05800 -25.57058 1.000 47.73755  ? 651 VAL A O   1 
ATOM   285  C CB  . VAL A 1 74  ? -22.93780 -11.56045 -25.53175 1.000 45.06564  ? 651 VAL A CB  1 
ATOM   286  C CG1 . VAL A 1 74  ? -22.81688 -11.52223 -24.00649 1.000 44.75090  ? 651 VAL A CG1 1 
ATOM   287  C CG2 . VAL A 1 74  ? -21.99165 -10.57807 -26.19340 1.000 42.39769  ? 651 VAL A CG2 1 
ATOM   288  N N   . GLY A 1 75  ? -22.88118 -14.86239 -24.56639 1.000 44.95897  ? 652 GLY A N   1 
ATOM   289  C CA  . GLY A 1 75  ? -23.58616 -15.86938 -23.78561 1.000 48.55569  ? 652 GLY A CA  1 
ATOM   290  C C   . GLY A 1 75  ? -23.77878 -15.40277 -22.35597 1.000 50.14169  ? 652 GLY A C   1 
ATOM   291  O O   . GLY A 1 75  ? -22.86567 -14.85262 -21.74288 1.000 47.67791  ? 652 GLY A O   1 
ATOM   292  N N   . VAL A 1 76  ? -24.97906 -15.63153 -21.83000 1.000 48.57701  ? 653 VAL A N   1 
ATOM   293  C CA  . VAL A 1 76  ? -25.37304 -15.16817 -20.50155 1.000 51.51049  ? 653 VAL A CA  1 
ATOM   294  C C   . VAL A 1 76  ? -25.69870 -16.39125 -19.65281 1.000 55.50585  ? 653 VAL A C   1 
ATOM   295  O O   . VAL A 1 76  ? -26.60186 -17.16417 -19.99163 1.000 54.15174  ? 653 VAL A O   1 
ATOM   296  C CB  . VAL A 1 76  ? -26.57095 -14.20859 -20.56575 1.000 49.03523  ? 653 VAL A CB  1 
ATOM   297  C CG1 . VAL A 1 76  ? -26.88591 -13.68086 -19.18981 1.000 51.81312  ? 653 VAL A CG1 1 
ATOM   298  C CG2 . VAL A 1 76  ? -26.27704 -13.04464 -21.51503 1.000 45.45299  ? 653 VAL A CG2 1 
ATOM   299  N N   . THR A 1 77  ? -24.97917 -16.55753 -18.54338 1.000 49.52025  ? 654 THR A N   1 
ATOM   300  C CA  . THR A 1 77  ? -25.10096 -17.76971 -17.73497 1.000 52.63381  ? 654 THR A CA  1 
ATOM   301  C C   . THR A 1 77  ? -26.41744 -17.79892 -16.95653 1.000 52.35005  ? 654 THR A C   1 
ATOM   302  O O   . THR A 1 77  ? -26.93035 -16.76446 -16.50467 1.000 51.21527  ? 654 THR A O   1 
ATOM   303  C CB  . THR A 1 77  ? -23.91994 -17.88118 -16.77435 1.000 51.65085  ? 654 THR A CB  1 
ATOM   304  O OG1 . THR A 1 77  ? -23.84310 -16.68781 -15.98859 1.000 51.02376  ? 654 THR A OG1 1 
ATOM   305  C CG2 . THR A 1 77  ? -22.62246 -18.03951 -17.55597 1.000 51.90033  ? 654 THR A CG2 1 
ATOM   306  N N   . SER A 1 78  ? -26.95599 -19.00994 -16.78984 1.000 55.34152  ? 655 SER A N   1 
ATOM   307  C CA  . SER A 1 78  ? -28.22537 -19.20348 -16.09570 1.000 57.60480  ? 655 SER A CA  1 
ATOM   308  C C   . SER A 1 78  ? -28.09292 -18.88762 -14.60414 1.000 57.62282  ? 655 SER A C   1 
ATOM   309  O O   . SER A 1 78  ? -26.99383 -18.88431 -14.03792 1.000 58.12586  ? 655 SER A O   1 
ATOM   310  C CB  . SER A 1 78  ? -28.72738 -20.64127 -16.26106 1.000 57.43697  ? 655 SER A CB  1 
ATOM   311  O OG  . SER A 1 78  ? -27.99760 -21.53587 -15.42194 1.000 58.64180  ? 655 SER A OG  1 
ATOM   312  N N   . ASP A 1 79  ? -29.24616 -18.63227 -13.96624 1.000 62.36037  ? 656 ASP A N   1 
ATOM   313  C CA  . ASP A 1 79  ? -29.26954 -18.31124 -12.53744 1.000 66.66520  ? 656 ASP A CA  1 
ATOM   314  C C   . ASP A 1 79  ? -28.82754 -19.50170 -11.69494 1.000 70.19002  ? 656 ASP A C   1 
ATOM   315  O O   . ASP A 1 79  ? -27.96308 -19.36670 -10.81851 1.000 71.35591  ? 656 ASP A O   1 
ATOM   316  C CB  . ASP A 1 79  ? -30.67280 -17.86360 -12.11541 1.000 68.91188  ? 656 ASP A CB  1 
ATOM   317  C CG  . ASP A 1 79  ? -31.01819 -16.44438 -12.59134 1.000 70.41126  ? 656 ASP A CG  1 
ATOM   318  O OD1 . ASP A 1 79  ? -30.10671 -15.58063 -12.66516 1.000 65.53315  ? 656 ASP A OD1 1 
ATOM   319  O OD2 . ASP A 1 79  ? -32.21014 -16.20038 -12.91709 1.000 69.76568  ? 656 ASP A OD2 1 
ATOM   320  N N   . ASN A 1 80  ? -29.42409 -20.67616 -11.93728 0.900 53.93044  ? 657 ASN A N   1 
ATOM   321  C CA  . ASN A 1 80  ? -29.14177 -21.83318 -11.08942 0.900 57.16755  ? 657 ASN A CA  1 
ATOM   322  C C   . ASN A 1 80  ? -27.68107 -22.25155 -11.20988 0.900 56.48468  ? 657 ASN A C   1 
ATOM   323  O O   . ASN A 1 80  ? -27.03605 -22.57440 -10.20670 0.900 56.72495  ? 657 ASN A O   1 
ATOM   324  C CB  . ASN A 1 80  ? -30.07114 -22.99975 -11.44661 0.900 57.36249  ? 657 ASN A CB  1 
ATOM   325  N N   . GLU A 1 81  ? -27.12922 -22.22418 -12.42523 1.000 66.00646  ? 658 GLU A N   1 
ATOM   326  C CA  . GLU A 1 81  ? -25.75355 -22.68035 -12.59739 1.000 64.70317  ? 658 GLU A CA  1 
ATOM   327  C C   . GLU A 1 81  ? -24.75405 -21.67161 -12.04719 1.000 65.87776  ? 658 GLU A C   1 
ATOM   328  O O   . GLU A 1 81  ? -23.73123 -22.06046 -11.46755 1.000 66.43165  ? 658 GLU A O   1 
ATOM   329  C CB  . GLU A 1 81  ? -25.46510 -22.95820 -14.06571 1.000 64.58743  ? 658 GLU A CB  1 
ATOM   330  C CG  . GLU A 1 81  ? -26.00786 -24.27948 -14.56172 1.000 64.43855  ? 658 GLU A CG  1 
ATOM   331  C CD  . GLU A 1 81  ? -25.93895 -24.36694 -16.07406 1.000 63.93970  ? 658 GLU A CD  1 
ATOM   332  O OE1 . GLU A 1 81  ? -26.32215 -23.37385 -16.72740 1.000 62.58072  ? 658 GLU A OE1 1 
ATOM   333  O OE2 . GLU A 1 81  ? -25.50647 -25.41168 -16.60994 1.000 64.88244  ? 658 GLU A OE2 1 
ATOM   334  N N   . THR A 1 82  ? -25.01750 -20.37373 -12.22618 1.000 58.60037  ? 659 THR A N   1 
ATOM   335  C CA  . THR A 1 82  ? -24.10683 -19.37962 -11.66607 1.000 61.97965  ? 659 THR A CA  1 
ATOM   336  C C   . THR A 1 82  ? -24.02969 -19.48828 -10.14610 1.000 61.47219  ? 659 THR A C   1 
ATOM   337  O O   . THR A 1 82  ? -22.93038 -19.49557 -9.58250  1.000 61.70586  ? 659 THR A O   1 
ATOM   338  C CB  . THR A 1 82  ? -24.50820 -17.96475 -12.06849 1.000 60.67874  ? 659 THR A CB  1 
ATOM   339  O OG1 . THR A 1 82  ? -24.53992 -17.86053 -13.50395 1.000 54.78826  ? 659 THR A OG1 1 
ATOM   340  C CG2 . THR A 1 82  ? -23.46582 -17.00588 -11.52195 1.000 59.66628  ? 659 THR A CG2 1 
ATOM   341  N N   . LYS A 1 83  ? -25.18253 -19.59908 -9.46856  1.000 69.99305  ? 660 LYS A N   1 
ATOM   342  C CA  . LYS A 1 83  ? -25.19432 -19.65734 -8.00499  1.000 71.85594  ? 660 LYS A CA  1 
ATOM   343  C C   . LYS A 1 83  ? -24.54649 -20.92917 -7.47657  1.000 72.72815  ? 660 LYS A C   1 
ATOM   344  O O   . LYS A 1 83  ? -23.96558 -20.92192 -6.38276  1.000 75.94891  ? 660 LYS A O   1 
ATOM   345  C CB  . LYS A 1 83  ? -26.62710 -19.55423 -7.47978  1.000 73.12193  ? 660 LYS A CB  1 
ATOM   346  C CG  . LYS A 1 83  ? -27.31508 -18.23973 -7.83408  1.000 73.90007  ? 660 LYS A CG  1 
ATOM   347  C CD  . LYS A 1 83  ? -28.83043 -18.41085 -7.85034  1.000 78.28714  ? 660 LYS A CD  1 
ATOM   348  C CE  . LYS A 1 83  ? -29.55320 -17.11055 -8.21473  1.000 77.05544  ? 660 LYS A CE  1 
ATOM   349  N NZ  . LYS A 1 83  ? -30.98123 -17.17081 -7.76231  1.000 79.81389  ? 660 LYS A NZ  1 
ATOM   350  N N   . LEU A 1 84  ? -24.64019 -22.02761 -8.22325  1.000 72.27536  ? 661 LEU A N   1 
ATOM   351  C CA  . LEU A 1 84  ? -24.04436 -23.27329 -7.76472  1.000 74.70980  ? 661 LEU A CA  1 
ATOM   352  C C   . LEU A 1 84  ? -22.52590 -23.25382 -7.87881  1.000 74.51043  ? 661 LEU A C   1 
ATOM   353  O O   . LEU A 1 84  ? -21.83089 -23.80303 -7.01930  1.000 77.00212  ? 661 LEU A O   1 
ATOM   354  C CB  . LEU A 1 84  ? -24.62008 -24.44375 -8.55047  1.000 73.02324  ? 661 LEU A CB  1 
ATOM   355  C CG  . LEU A 1 84  ? -24.19691 -25.78855 -7.97191  1.000 78.86207  ? 661 LEU A CG  1 
ATOM   356  C CD1 . LEU A 1 84  ? -24.66092 -25.95502 -6.52007  1.000 79.64479  ? 661 LEU A CD1 1 
ATOM   357  C CD2 . LEU A 1 84  ? -24.70806 -26.92829 -8.85032  1.000 79.58161  ? 661 LEU A CD2 1 
ATOM   358  N N   . PHE A 1 85  ? -21.99009 -22.62639 -8.92239  1.000 84.74482  ? 662 PHE A N   1 
ATOM   359  C CA  . PHE A 1 85  ? -20.57727 -22.76184 -9.26204  1.000 85.41840  ? 662 PHE A CA  1 
ATOM   360  C C   . PHE A 1 85  ? -19.73581 -21.52069 -9.00661  1.000 82.99986  ? 662 PHE A C   1 
ATOM   361  O O   . PHE A 1 85  ? -18.55768 -21.65527 -8.68022  1.000 87.21836  ? 662 PHE A O   1 
ATOM   362  C CB  . PHE A 1 85  ? -20.41889 -23.15967 -10.73870 1.000 83.92506  ? 662 PHE A CB  1 
ATOM   363  C CG  . PHE A 1 85  ? -21.04589 -24.48139 -11.07790 1.000 82.29661  ? 662 PHE A CG  1 
ATOM   364  C CD1 . PHE A 1 85  ? -20.78071 -25.60091 -10.30831 1.000 88.50973  ? 662 PHE A CD1 1 
ATOM   365  C CD2 . PHE A 1 85  ? -21.88518 -24.60837 -12.17035 1.000 82.52923  ? 662 PHE A CD2 1 
ATOM   366  C CE1 . PHE A 1 85  ? -21.35395 -26.83106 -10.60660 1.000 87.43279  ? 662 PHE A CE1 1 
ATOM   367  C CE2 . PHE A 1 85  ? -22.45530 -25.83230 -12.48527 1.000 82.45226  ? 662 PHE A CE2 1 
ATOM   368  C CZ  . PHE A 1 85  ? -22.18699 -26.94851 -11.69663 1.000 86.06548  ? 662 PHE A CZ  1 
ATOM   369  N N   . LYS A 1 86  ? -20.28747 -20.32195 -9.15847  0.800 68.33997  ? 663 LYS A N   1 
ATOM   370  C CA  . LYS A 1 86  ? -19.50464 -19.09777 -9.03784  0.800 68.59725  ? 663 LYS A CA  1 
ATOM   371  C C   . LYS A 1 86  ? -19.83827 -18.36072 -7.75095  0.800 68.79206  ? 663 LYS A C   1 
ATOM   372  O O   . LYS A 1 86  ? -18.97730 -18.19016 -6.88405  0.800 71.31898  ? 663 LYS A O   1 
ATOM   373  C CB  . LYS A 1 86  ? -19.73265 -18.18476 -10.25371 0.800 67.40895  ? 663 LYS A CB  1 
ATOM   374  N N   . GLY A 1 87  ? -21.08404 -17.95229 -7.59618  1.000 70.04991  ? 664 GLY A N   1 
ATOM   375  C CA  . GLY A 1 87  ? -21.49190 -17.20227 -6.42840  1.000 69.55183  ? 664 GLY A CA  1 
ATOM   376  C C   . GLY A 1 87  ? -22.81044 -16.50956 -6.69001  1.000 69.66996  ? 664 GLY A C   1 
ATOM   377  O O   . GLY A 1 87  ? -23.45931 -16.70921 -7.72451  1.000 70.19565  ? 664 GLY A O   1 
ATOM   378  N N   . GLN A 1 88  ? -23.17907 -15.66680 -5.73228  1.000 74.41091  ? 665 GLN A N   1 
ATOM   379  C CA  . GLN A 1 88  ? -24.47451 -15.00651 -5.72781  1.000 76.45104  ? 665 GLN A CA  1 
ATOM   380  C C   . GLN A 1 88  ? -24.61265 -14.01825 -6.88342  1.000 73.61726  ? 665 GLN A C   1 
ATOM   381  O O   . GLN A 1 88  ? -23.65388 -13.35247 -7.28650  1.000 71.60682  ? 665 GLN A O   1 
ATOM   382  C CB  . GLN A 1 88  ? -24.67340 -14.28967 -4.39358  1.000 77.34692  ? 665 GLN A CB  1 
ATOM   383  C CG  . GLN A 1 88  ? -23.89014 -14.95370 -3.28422  1.000 78.41872  ? 665 GLN A CG  1 
ATOM   384  C CD  . GLN A 1 88  ? -24.33986 -14.51355 -1.89498  1.000 88.21266  ? 665 GLN A CD  1 
ATOM   385  O OE1 . GLN A 1 88  ? -25.43050 -13.94687 -1.71903  1.000 88.63598  ? 665 GLN A OE1 1 
ATOM   386  N NE2 . GLN A 1 88  ? -23.50270 -14.78451 -0.89746  1.000 88.54635  ? 665 GLN A NE2 1 
ATOM   387  N N   . VAL A 1 89  ? -25.83497 -13.93229 -7.41015  1.000 73.23121  ? 666 VAL A N   1 
ATOM   388  C CA  . VAL A 1 89  ? -26.21240 -13.02509 -8.48420  1.000 70.73616  ? 666 VAL A CA  1 
ATOM   389  C C   . VAL A 1 89  ? -27.45929 -12.28197 -8.03300  1.000 70.37800  ? 666 VAL A C   1 
ATOM   390  O O   . VAL A 1 89  ? -28.37308 -12.89336 -7.46613  1.000 72.77978  ? 666 VAL A O   1 
ATOM   391  C CB  . VAL A 1 89  ? -26.46799 -13.81019 -9.78717  1.000 68.89023  ? 666 VAL A CB  1 
ATOM   392  C CG1 . VAL A 1 89  ? -26.92591 -12.90857 -10.90795 1.000 67.05329  ? 666 VAL A CG1 1 
ATOM   393  C CG2 . VAL A 1 89  ? -25.22197 -14.49767 -10.19068 1.000 69.98736  ? 666 VAL A CG2 1 
ATOM   394  N N   . VAL A 1 90  ? -27.50847 -10.97147 -8.26368  1.000 63.51634  ? 667 VAL A N   1 
ATOM   395  C CA  . VAL A 1 90  ? -28.63409 -10.18023 -7.78538  1.000 64.23211  ? 667 VAL A CA  1 
ATOM   396  C C   . VAL A 1 90  ? -29.73265 -10.07316 -8.83731  1.000 65.48348  ? 667 VAL A C   1 
ATOM   397  O O   . VAL A 1 90  ? -30.91093 -10.17306 -8.50427  1.000 67.51730  ? 667 VAL A O   1 
ATOM   398  C CB  . VAL A 1 90  ? -28.19348 -8.78412  -7.27542  1.000 66.82192  ? 667 VAL A CB  1 
ATOM   399  C CG1 . VAL A 1 90  ? -26.70816 -8.56156  -7.42997  1.000 67.21264  ? 667 VAL A CG1 1 
ATOM   400  C CG2 . VAL A 1 90  ? -29.01473 -7.66277  -7.87404  1.000 65.22696  ? 667 VAL A CG2 1 
ATOM   401  N N   . GLN A 1 91  ? -29.38509 -9.94470  -10.11432 1.000 57.67230  ? 668 GLN A N   1 
ATOM   402  C CA  . GLN A 1 91  ? -30.39301 -9.86674  -11.16456 1.000 57.09164  ? 668 GLN A CA  1 
ATOM   403  C C   . GLN A 1 91  ? -30.65727 -11.21831 -11.82007 1.000 58.84228  ? 668 GLN A C   1 
ATOM   404  O O   . GLN A 1 91  ? -29.73984 -12.02078 -12.02718 1.000 56.30109  ? 668 GLN A O   1 
ATOM   405  C CB  . GLN A 1 91  ? -29.97115 -8.87336  -12.23862 1.000 56.23203  ? 668 GLN A CB  1 
ATOM   406  C CG  . GLN A 1 91  ? -29.72666 -7.48383  -11.74740 1.000 55.39567  ? 668 GLN A CG  1 
ATOM   407  C CD  . GLN A 1 91  ? -29.42443 -6.54944  -12.87948 1.000 56.03541  ? 668 GLN A CD  1 
ATOM   408  O OE1 . GLN A 1 91  ? -28.29970 -6.53428  -13.40517 1.000 52.14528  ? 668 GLN A OE1 1 
ATOM   409  N NE2 . GLN A 1 91  ? -30.43468 -5.79130  -13.30926 1.000 58.06291  ? 668 GLN A NE2 1 
ATOM   410  N N   . THR A 1 92  ? -31.91653 -11.44498 -12.18790 1.000 52.69187  ? 669 THR A N   1 
ATOM   411  C CA  . THR A 1 92  ? -32.29822 -12.67382 -12.88127 1.000 56.05999  ? 669 THR A CA  1 
ATOM   412  C C   . THR A 1 92  ? -31.72340 -12.72088 -14.29930 1.000 55.26691  ? 669 THR A C   1 
ATOM   413  O O   . THR A 1 92  ? -31.21512 -11.72791 -14.83695 1.000 50.30642  ? 669 THR A O   1 
ATOM   414  C CB  . THR A 1 92  ? -33.81592 -12.80065 -12.99011 1.000 59.13876  ? 669 THR A CB  1 
ATOM   415  O OG1 . THR A 1 92  ? -34.31935 -11.73892 -13.81939 1.000 56.39752  ? 669 THR A OG1 1 
ATOM   416  C CG2 . THR A 1 92  ? -34.45846 -12.74306 -11.61782 1.000 56.36753  ? 669 THR A CG2 1 
ATOM   417  N N   . LEU A 1 93  ? -31.83773 -13.91167 -14.90915 1.000 56.02981  ? 670 LEU A N   1 
ATOM   418  C CA  . LEU A 1 93  ? -31.39480 -14.10473 -16.28970 1.000 54.28789  ? 670 LEU A CA  1 
ATOM   419  C C   . LEU A 1 93  ? -32.09552 -13.12331 -17.22181 1.000 53.52402  ? 670 LEU A C   1 
ATOM   420  O O   . LEU A 1 93  ? -31.43866 -12.40285 -17.98058 1.000 47.95785  ? 670 LEU A O   1 
ATOM   421  C CB  . LEU A 1 93  ? -31.63590 -15.55039 -16.73667 1.000 53.80251  ? 670 LEU A CB  1 
ATOM   422  C CG  . LEU A 1 93  ? -31.24115 -15.85308 -18.19402 1.000 52.52250  ? 670 LEU A CG  1 
ATOM   423  C CD1 . LEU A 1 93  ? -29.74491 -15.70275 -18.40274 1.000 49.92160  ? 670 LEU A CD1 1 
ATOM   424  C CD2 . LEU A 1 93  ? -31.69987 -17.25005 -18.62437 1.000 52.05208  ? 670 LEU A CD2 1 
ATOM   425  N N   . GLU A 1 94  ? -33.42736 -13.04481 -17.12849 1.000 65.70078  ? 671 GLU A N   1 
ATOM   426  C CA  . GLU A 1 94  ? -34.20451 -12.08597 -17.90899 1.000 66.19818  ? 671 GLU A CA  1 
ATOM   427  C C   . GLU A 1 94  ? -33.66415 -10.66071 -17.77638 1.000 66.15800  ? 671 GLU A C   1 
ATOM   428  O O   . GLU A 1 94  ? -33.46775 -9.96443  -18.77767 1.000 60.87666  ? 671 GLU A O   1 
ATOM   429  C CB  . GLU A 1 94  ? -35.66194 -12.15043 -17.46412 1.000 70.15658  ? 671 GLU A CB  1 
ATOM   430  C CG  . GLU A 1 94  ? -36.63667 -11.53690 -18.43249 1.000 71.30655  ? 671 GLU A CG  1 
ATOM   431  C CD  . GLU A 1 94  ? -38.07496 -11.84892 -18.05928 1.000 75.89751  ? 671 GLU A CD  1 
ATOM   432  O OE1 . GLU A 1 94  ? -38.39367 -13.04754 -17.85457 1.000 79.16901  ? 671 GLU A OE1 1 
ATOM   433  O OE2 . GLU A 1 94  ? -38.88545 -10.89607 -17.95814 1.000 79.22956  ? 671 GLU A OE2 1 
ATOM   434  N N   . GLU A 1 95  ? -33.42543 -10.20377 -16.54103 1.000 58.31839  ? 672 GLU A N   1 
ATOM   435  C CA  . GLU A 1 95  ? -32.94393 -8.83592  -16.33649 1.000 54.63653  ? 672 GLU A CA  1 
ATOM   436  C C   . GLU A 1 95  ? -31.54388 -8.64586  -16.89595 1.000 51.34241  ? 672 GLU A C   1 
ATOM   437  O O   . GLU A 1 95  ? -31.25932 -7.63218  -17.53768 1.000 47.63085  ? 672 GLU A O   1 
ATOM   438  C CB  . GLU A 1 95  ? -32.93226 -8.47333  -14.84819 1.000 55.99303  ? 672 GLU A CB  1 
ATOM   439  C CG  . GLU A 1 95  ? -34.27115 -8.54503  -14.15996 1.000 59.23192  ? 672 GLU A CG  1 
ATOM   440  C CD  . GLU A 1 95  ? -34.15474 -8.39166  -12.63578 1.000 61.45692  ? 672 GLU A CD  1 
ATOM   441  O OE1 . GLU A 1 95  ? -33.18271 -8.91447  -12.04214 1.000 58.79403  ? 672 GLU A OE1 1 
ATOM   442  O OE2 . GLU A 1 95  ? -35.06084 -7.77659  -12.03372 1.000 62.16088  ? 672 GLU A OE2 1 
ATOM   443  N N   . ARG A 1 96  ? -30.64124 -9.58839  -16.62501 1.000 54.51010  ? 673 ARG A N   1 
ATOM   444  C CA  . ARG A 1 96  ? -29.28380 -9.44311  -17.12227 1.000 50.30120  ? 673 ARG A CA  1 
ATOM   445  C C   . ARG A 1 96  ? -29.25322 -9.44811  -18.64810 1.000 49.31710  ? 673 ARG A C   1 
ATOM   446  O O   . ARG A 1 96  ? -28.41322 -8.76729  -19.24877 1.000 44.54741  ? 673 ARG A O   1 
ATOM   447  C CB  . ARG A 1 96  ? -28.40052 -10.54661 -16.55121 1.000 49.67776  ? 673 ARG A CB  1 
ATOM   448  C CG  . ARG A 1 96  ? -28.20000 -10.42570 -15.04448 1.000 52.96686  ? 673 ARG A CG  1 
ATOM   449  C CD  . ARG A 1 96  ? -27.29798 -11.52508 -14.49127 1.000 51.97791  ? 673 ARG A CD  1 
ATOM   450  N NE  . ARG A 1 96  ? -28.00455 -12.79260 -14.36384 1.000 53.68232  ? 673 ARG A NE  1 
ATOM   451  C CZ  . ARG A 1 96  ? -27.59481 -13.92907 -14.90310 1.000 54.16226  ? 673 ARG A CZ  1 
ATOM   452  N NH1 . ARG A 1 96  ? -26.51180 -13.98232 -15.65827 1.000 51.56399  ? 673 ARG A NH1 1 
ATOM   453  N NH2 . ARG A 1 96  ? -28.28437 -15.04203 -14.67177 1.000 56.86353  ? 673 ARG A NH2 1 
ATOM   454  N N   . THR A 1 97  ? -30.18167 -10.15947 -19.28890 1.000 49.19958  ? 674 THR A N   1 
ATOM   455  C CA  . THR A 1 97  ? -30.16511 -10.26653 -20.74548 1.000 48.99082  ? 674 THR A CA  1 
ATOM   456  C C   . THR A 1 97  ? -30.77203 -9.02867  -21.40477 1.000 49.57919  ? 674 THR A C   1 
ATOM   457  O O   . THR A 1 97  ? -30.21845 -8.51257  -22.38374 1.000 46.00516  ? 674 THR A O   1 
ATOM   458  C CB  . THR A 1 97  ? -30.90474 -11.53551 -21.18320 1.000 51.30095  ? 674 THR A CB  1 
ATOM   459  O OG1 . THR A 1 97  ? -30.27061 -12.69103 -20.61522 1.000 50.09817  ? 674 THR A OG1 1 
ATOM   460  C CG2 . THR A 1 97  ? -30.93342 -11.66729 -22.71014 1.000 49.04584  ? 674 THR A CG2 1 
ATOM   461  N N   . GLU A 1 98  ? -31.90153 -8.54166  -20.86714 1.000 52.75707  ? 675 GLU A N   1 
ATOM   462  C CA  . GLU A 1 98  ? -32.53273 -7.31553  -21.35074 1.000 50.51773  ? 675 GLU A CA  1 
ATOM   463  C C   . GLU A 1 98  ? -31.56990 -6.12786  -21.30797 1.000 50.15316  ? 675 GLU A C   1 
ATOM   464  O O   . GLU A 1 98  ? -31.62284 -5.26322  -22.18697 1.000 51.38773  ? 675 GLU A O   1 
ATOM   465  C CB  . GLU A 1 98  ? -33.80342 -7.01213  -20.53355 1.000 57.31235  ? 675 GLU A CB  1 
ATOM   466  C CG  . GLU A 1 98  ? -34.74766 -5.95567  -21.15059 1.000 63.60950  ? 675 GLU A CG  1 
ATOM   467  C CD  . GLU A 1 98  ? -36.05727 -5.73421  -20.36559 1.000 67.72586  ? 675 GLU A CD  1 
ATOM   468  O OE1 . GLU A 1 98  ? -36.33201 -6.48900  -19.40021 1.000 73.26523  ? 675 GLU A OE1 1 
ATOM   469  O OE2 . GLU A 1 98  ? -36.81421 -4.79826  -20.72119 0.800 68.19571  ? 675 GLU A OE2 1 
ATOM   470  N N   . THR A 1 99  ? -30.67323 -6.07359  -20.32058 1.000 49.32694  ? 676 THR A N   1 
ATOM   471  C CA  . THR A 1 99  ? -29.71595 -4.96749  -20.25608 1.000 50.16075  ? 676 THR A CA  1 
ATOM   472  C C   . THR A 1 99  ? -28.66795 -5.06634  -21.37487 1.000 49.68142  ? 676 THR A C   1 
ATOM   473  O O   . THR A 1 99  ? -28.38706 -4.07238  -22.05668 1.000 48.43928  ? 676 THR A O   1 
ATOM   474  C CB  . THR A 1 99  ? -29.05633 -4.91658  -18.86991 1.000 49.33376  ? 676 THR A CB  1 
ATOM   475  O OG1 . THR A 1 99  ? -30.06150 -4.74364  -17.85338 1.000 54.02678  ? 676 THR A OG1 1 
ATOM   476  C CG2 . THR A 1 99  ? -28.03985 -3.75431  -18.76238 1.000 45.19396  ? 676 THR A CG2 1 
ATOM   477  N N   . LEU A 1 100 ? -28.11478 -6.26459  -21.60803 1.000 48.16352  ? 677 LEU A N   1 
ATOM   478  C CA  . LEU A 1 100 ? -27.10990 -6.44818  -22.64618 1.000 46.26359  ? 677 LEU A CA  1 
ATOM   479  C C   . LEU A 1 100 ? -27.63841 -6.06572  -24.01738 1.000 47.93798  ? 677 LEU A C   1 
ATOM   480  O O   . LEU A 1 100 ? -26.86136 -5.68668  -24.90189 1.000 47.90589  ? 677 LEU A O   1 
ATOM   481  C CB  . LEU A 1 100 ? -26.65931 -7.89956  -22.67524 1.000 47.81286  ? 677 LEU A CB  1 
ATOM   482  C CG  . LEU A 1 100 ? -25.45741 -8.18925  -21.80561 1.000 50.43552  ? 677 LEU A CG  1 
ATOM   483  C CD1 . LEU A 1 100 ? -25.31385 -9.69470  -21.68161 1.000 51.69951  ? 677 LEU A CD1 1 
ATOM   484  C CD2 . LEU A 1 100 ? -24.22372 -7.56885  -22.40962 1.000 49.74692  ? 677 LEU A CD2 1 
ATOM   485  N N   . LYS A 1 101 ? -28.95152 -6.18614  -24.21602 1.000 44.91905  ? 678 LYS A N   1 
ATOM   486  C CA  . LYS A 1 101 ? -29.58282 -5.83315  -25.47563 1.000 45.49661  ? 678 LYS A CA  1 
ATOM   487  C C   . LYS A 1 101 ? -29.33409 -4.36987  -25.86792 1.000 49.88842  ? 678 LYS A C   1 
ATOM   488  O O   . LYS A 1 101 ? -29.38145 -4.04419  -27.05394 1.000 48.37199  ? 678 LYS A O   1 
ATOM   489  C CB  . LYS A 1 101 ? -31.08112 -6.13658  -25.34519 1.000 48.02521  ? 678 LYS A CB  1 
ATOM   490  C CG  . LYS A 1 101 ? -31.97587 -5.66876  -26.45421 1.000 52.11980  ? 678 LYS A CG  1 
ATOM   491  C CD  . LYS A 1 101 ? -33.45343 -5.96231  -26.15160 1.000 54.03447  ? 678 LYS A CD  1 
ATOM   492  C CE  . LYS A 1 101 ? -34.04820 -4.92127  -25.18231 1.000 54.52963  ? 678 LYS A CE  1 
ATOM   493  N NZ  . LYS A 1 101 ? -35.53041 -4.78882  -25.33270 1.000 54.28595  ? 678 LYS A NZ  1 
ATOM   494  N N   . HIS A 1 102 ? -29.05866 -3.48456  -24.90931 1.000 40.46384  ? 679 HIS A N   1 
ATOM   495  C CA  . HIS A 1 102 ? -28.88662 -2.06551  -25.19067 1.000 44.97281  ? 679 HIS A CA  1 
ATOM   496  C C   . HIS A 1 102 ? -27.44308 -1.68202  -25.48045 1.000 44.36858  ? 679 HIS A C   1 
ATOM   497  O O   . HIS A 1 102 ? -27.15973 -0.49745  -25.68954 1.000 47.05181  ? 679 HIS A O   1 
ATOM   498  C CB  . HIS A 1 102 ? -29.40775 -1.24124  -24.00556 1.000 46.15339  ? 679 HIS A CB  1 
ATOM   499  C CG  . HIS A 1 102 ? -30.86976 -1.42084  -23.76733 1.000 47.05851  ? 679 HIS A CG  1 
ATOM   500  N ND1 . HIS A 1 102 ? -31.82830 -0.68734  -24.43690 1.000 48.19908  ? 679 HIS A ND1 1 
ATOM   501  C CD2 . HIS A 1 102 ? -31.54288 -2.27127  -22.95776 1.000 45.92895  ? 679 HIS A CD2 1 
ATOM   502  C CE1 . HIS A 1 102 ? -33.03146 -1.07199  -24.04075 1.000 49.45413  ? 679 HIS A CE1 1 
ATOM   503  N NE2 . HIS A 1 102 ? -32.88380 -2.02978  -23.13760 1.000 48.93210  ? 679 HIS A NE2 1 
ATOM   504  N N   . ILE A 1 103 ? -26.53186 -2.64406  -25.49229 1.000 38.10013  ? 680 ILE A N   1 
ATOM   505  C CA  . ILE A 1 103 ? -25.10481 -2.37638  -25.61473 1.000 41.46839  ? 680 ILE A CA  1 
ATOM   506  C C   . ILE A 1 103 ? -24.72970 -2.42552  -27.09127 1.000 46.00966  ? 680 ILE A C   1 
ATOM   507  O O   . ILE A 1 103 ? -25.01700 -3.41524  -27.77792 1.000 43.24176  ? 680 ILE A O   1 
ATOM   508  C CB  . ILE A 1 103 ? -24.29568 -3.39224  -24.80349 1.000 39.34049  ? 680 ILE A CB  1 
ATOM   509  C CG1 . ILE A 1 103 ? -24.65914 -3.27338  -23.30368 1.000 40.24469  ? 680 ILE A CG1 1 
ATOM   510  C CG2 . ILE A 1 103 ? -22.81732 -3.17016  -25.00122 1.000 40.27319  ? 680 ILE A CG2 1 
ATOM   511  C CD1 . ILE A 1 103 ? -24.49348 -1.82811  -22.71908 1.000 37.02030  ? 680 ILE A CD1 1 
ATOM   512  N N   . ARG A 1 104 ? -24.05977 -1.36452  -27.56347 1.000 49.68226  ? 681 ARG A N   1 
ATOM   513  C CA  . ARG A 1 104 ? -23.81024 -1.16446  -28.99142 1.000 50.22540  ? 681 ARG A CA  1 
ATOM   514  C C   . ARG A 1 104 ? -23.08377 -2.34401  -29.62821 1.000 48.57275  ? 681 ARG A C   1 
ATOM   515  O O   . ARG A 1 104 ? -23.35882 -2.69503  -30.77321 1.000 52.57624  ? 681 ARG A O   1 
ATOM   516  C CB  . ARG A 1 104 ? -22.99769 0.12107   -29.18713 1.000 50.49135  ? 681 ARG A CB  1 
ATOM   517  C CG  . ARG A 1 104 ? -22.59675 0.39973   -30.61536 1.000 53.47625  ? 681 ARG A CG  1 
ATOM   518  C CD  . ARG A 1 104 ? -21.66465 1.61202   -30.75422 1.000 53.02720  ? 681 ARG A CD  1 
ATOM   519  N NE  . ARG A 1 104 ? -21.99168 2.69600   -29.83830 1.000 55.58343  ? 681 ARG A NE  1 
ATOM   520  C CZ  . ARG A 1 104 ? -22.85895 3.66385   -30.11572 1.000 56.37877  ? 681 ARG A CZ  1 
ATOM   521  N NH1 . ARG A 1 104 ? -23.51269 3.69460   -31.26710 1.000 56.09824  ? 681 ARG A NH1 1 
ATOM   522  N NH2 . ARG A 1 104 ? -23.07702 4.62225   -29.21393 1.000 55.47140  ? 681 ARG A NH2 1 
ATOM   523  N N   . TRP A 1 105 ? -22.14741 -2.96025  -28.91149 1.000 49.94291  ? 682 TRP A N   1 
ATOM   524  C CA  . TRP A 1 105 ? -21.26116 -3.95704  -29.50005 1.000 50.56462  ? 682 TRP A CA  1 
ATOM   525  C C   . TRP A 1 105 ? -21.88560 -5.33593  -29.61373 1.000 50.45325  ? 682 TRP A C   1 
ATOM   526  O O   . TRP A 1 105 ? -21.25269 -6.23117  -30.17985 1.000 50.24676  ? 682 TRP A O   1 
ATOM   527  C CB  . TRP A 1 105 ? -19.97843 -4.08537  -28.67622 1.000 47.15510  ? 682 TRP A CB  1 
ATOM   528  C CG  . TRP A 1 105 ? -19.52882 -2.80346  -28.13831 1.000 51.72706  ? 682 TRP A CG  1 
ATOM   529  C CD1 . TRP A 1 105 ? -19.49653 -2.43867  -26.83012 1.000 49.68015  ? 682 TRP A CD1 1 
ATOM   530  C CD2 . TRP A 1 105 ? -19.05509 -1.66522  -28.88777 1.000 50.92696  ? 682 TRP A CD2 1 
ATOM   531  N NE1 . TRP A 1 105 ? -19.02472 -1.15683  -26.70745 1.000 49.21828  ? 682 TRP A NE1 1 
ATOM   532  C CE2 . TRP A 1 105 ? -18.74309 -0.65638  -27.95195 1.000 51.47715  ? 682 TRP A CE2 1 
ATOM   533  C CE3 . TRP A 1 105 ? -18.86202 -1.40739  -30.25101 1.000 51.92349  ? 682 TRP A CE3 1 
ATOM   534  C CZ2 . TRP A 1 105 ? -18.25185 0.59656   -28.33206 1.000 51.19898  ? 682 TRP A CZ2 1 
ATOM   535  C CZ3 . TRP A 1 105 ? -18.38315 -0.15400  -30.63398 1.000 52.25399  ? 682 TRP A CZ3 1 
ATOM   536  C CH2 . TRP A 1 105 ? -18.08258 0.83272   -29.67545 1.000 51.83057  ? 682 TRP A CH2 1 
ATOM   537  N N   . VAL A 1 106 ? -23.07792 -5.54580  -29.07364 1.000 53.56930  ? 683 VAL A N   1 
ATOM   538  C CA  . VAL A 1 106 ? -23.63455 -6.88655  -28.96137 1.000 51.49499  ? 683 VAL A CA  1 
ATOM   539  C C   . VAL A 1 106 ? -24.47962 -7.15563  -30.19048 1.000 53.12819  ? 683 VAL A C   1 
ATOM   540  O O   . VAL A 1 106 ? -25.44418 -6.42967  -30.46255 1.000 52.29182  ? 683 VAL A O   1 
ATOM   541  C CB  . VAL A 1 106 ? -24.46211 -7.05028  -27.68110 1.000 51.28880  ? 683 VAL A CB  1 
ATOM   542  C CG1 . VAL A 1 106 ? -25.02158 -8.46855  -27.61704 1.000 48.22061  ? 683 VAL A CG1 1 
ATOM   543  C CG2 . VAL A 1 106 ? -23.61187 -6.73195  -26.45868 1.000 50.95537  ? 683 VAL A CG2 1 
ATOM   544  N N   . ASP A 1 107 ? -24.11534 -8.19234  -30.94020 1.000 54.68967  ? 684 ASP A N   1 
ATOM   545  C CA  . ASP A 1 107 ? -24.85116 -8.53505  -32.15028 1.000 55.27502  ? 684 ASP A CA  1 
ATOM   546  C C   . ASP A 1 107 ? -25.86666 -9.65097  -31.92188 1.000 54.56235  ? 684 ASP A C   1 
ATOM   547  O O   . ASP A 1 107 ? -26.97684 -9.58901  -32.45995 1.000 54.44551  ? 684 ASP A O   1 
ATOM   548  C CB  . ASP A 1 107 ? -23.87951 -8.94024  -33.27308 1.000 54.44506  ? 684 ASP A CB  1 
ATOM   549  C CG  . ASP A 1 107 ? -22.90504 -7.81824  -33.65281 1.000 57.02381  ? 684 ASP A CG  1 
ATOM   550  O OD1 . ASP A 1 107 ? -23.32706 -6.63898  -33.71887 1.000 58.28696  ? 684 ASP A OD1 1 
ATOM   551  O OD2 . ASP A 1 107 ? -21.71138 -8.11013  -33.89311 1.000 57.75662  ? 684 ASP A OD2 1 
ATOM   552  N N   . GLU A 1 108 ? -25.51122 -10.67258 -31.14118 1.000 53.95487  ? 685 GLU A N   1 
ATOM   553  C CA  . GLU A 1 108 ? -26.40427 -11.78281 -30.82229 1.000 53.53210  ? 685 GLU A CA  1 
ATOM   554  C C   . GLU A 1 108 ? -26.22616 -12.14900 -29.36060 1.000 51.54373  ? 685 GLU A C   1 
ATOM   555  O O   . GLU A 1 108 ? -25.14180 -11.97692 -28.79530 1.000 54.40544  ? 685 GLU A O   1 
ATOM   556  C CB  . GLU A 1 108 ? -26.11234 -13.01377 -31.67516 1.000 51.88830  ? 685 GLU A CB  1 
ATOM   557  C CG  . GLU A 1 108 ? -26.29321 -12.78241 -33.14833 1.000 59.60697  ? 685 GLU A CG  1 
ATOM   558  C CD  . GLU A 1 108 ? -26.24553 -14.06227 -33.95688 1.000 61.85749  ? 685 GLU A CD  1 
ATOM   559  O OE1 . GLU A 1 108 ? -26.22676 -15.17062 -33.34688 1.000 63.67060  ? 685 GLU A OE1 1 
ATOM   560  O OE2 . GLU A 1 108 ? -26.22577 -13.95162 -35.20225 1.000 60.98945  ? 685 GLU A OE2 1 
ATOM   561  N N   . ILE A 1 109 ? -27.29163 -12.67351 -28.75253 1.000 46.00739  ? 686 ILE A N   1 
ATOM   562  C CA  . ILE A 1 109 ? -27.25303 -13.12993 -27.36435 1.000 46.34760  ? 686 ILE A CA  1 
ATOM   563  C C   . ILE A 1 109 ? -27.78759 -14.55932 -27.30437 1.000 50.52820  ? 686 ILE A C   1 
ATOM   564  O O   . ILE A 1 109 ? -28.83076 -14.86532 -27.89818 1.000 47.32471  ? 686 ILE A O   1 
ATOM   565  C CB  . ILE A 1 109 ? -28.05271 -12.20274 -26.42081 1.000 45.78706  ? 686 ILE A CB  1 
ATOM   566  C CG1 . ILE A 1 109 ? -27.50975 -10.76425 -26.45206 1.000 44.81303  ? 686 ILE A CG1 1 
ATOM   567  C CG2 . ILE A 1 109 ? -28.01064 -12.71208 -24.95036 1.000 44.90660  ? 686 ILE A CG2 1 
ATOM   568  C CD1 . ILE A 1 109 ? -28.12338 -9.85168  -25.39403 1.000 41.69899  ? 686 ILE A CD1 1 
ATOM   569  N N   . ILE A 1 110 ? -27.05866 -15.43939 -26.61149 1.000 52.15674  ? 687 ILE A N   1 
ATOM   570  C CA  . ILE A 1 110 ? -27.53342 -16.78333 -26.27131 1.000 53.72511  ? 687 ILE A CA  1 
ATOM   571  C C   . ILE A 1 110 ? -27.79989 -16.78587 -24.76659 1.000 52.32685  ? 687 ILE A C   1 
ATOM   572  O O   . ILE A 1 110 ? -26.87143 -16.68237 -23.95687 1.000 52.88459  ? 687 ILE A O   1 
ATOM   573  C CB  . ILE A 1 110 ? -26.53858 -17.88446 -26.68121 1.000 51.59214  ? 687 ILE A CB  1 
ATOM   574  C CG1 . ILE A 1 110 ? -26.34589 -17.90955 -28.20789 1.000 53.77113  ? 687 ILE A CG1 1 
ATOM   575  C CG2 . ILE A 1 110 ? -27.01049 -19.28512 -26.21378 1.000 52.53387  ? 687 ILE A CG2 1 
ATOM   576  C CD1 . ILE A 1 110 ? -25.02025 -18.56287 -28.67951 1.000 54.68826  ? 687 ILE A CD1 1 
ATOM   577  N N   . SER A 1 111 ? -29.07376 -16.88472 -24.38933 1.000 51.82953  ? 688 SER A N   1 
ATOM   578  C CA  . SER A 1 111 ? -29.52995 -16.71937 -23.01319 1.000 52.86188  ? 688 SER A CA  1 
ATOM   579  C C   . SER A 1 111 ? -30.63448 -17.72030 -22.68836 1.000 55.34154  ? 688 SER A C   1 
ATOM   580  O O   . SER A 1 111 ? -31.75301 -17.58534 -23.20143 1.000 54.97078  ? 688 SER A O   1 
ATOM   581  C CB  . SER A 1 111 ? -30.03332 -15.28723 -22.80232 1.000 54.66482  ? 688 SER A CB  1 
ATOM   582  O OG  . SER A 1 111 ? -30.74442 -15.14317 -21.58109 1.000 56.04746  ? 688 SER A OG  1 
ATOM   583  N N   . PRO A 1 112 ? -30.37743 -18.73692 -21.84486 1.000 53.81259  ? 689 PRO A N   1 
ATOM   584  C CA  . PRO A 1 112 ? -29.11084 -18.99398 -21.15059 1.000 52.66586  ? 689 PRO A CA  1 
ATOM   585  C C   . PRO A 1 112 ? -28.06291 -19.61607 -22.05914 1.000 52.85489  ? 689 PRO A C   1 
ATOM   586  O O   . PRO A 1 112 ? -28.42030 -20.35208 -22.98601 1.000 52.79869  ? 689 PRO A O   1 
ATOM   587  C CB  . PRO A 1 112 ? -29.51665 -19.98036 -20.04777 1.000 56.00757  ? 689 PRO A CB  1 
ATOM   588  C CG  . PRO A 1 112 ? -30.66270 -20.75516 -20.65998 1.000 56.53929  ? 689 PRO A CG  1 
ATOM   589  C CD  . PRO A 1 112 ? -31.39808 -19.76159 -21.53345 1.000 55.62850  ? 689 PRO A CD  1 
ATOM   590  N N   . CYS A 1 113 ? -26.79154 -19.32999 -21.80489 1.000 54.99040  ? 690 CYS A N   1 
ATOM   591  C CA  . CYS A 1 113 ? -25.74967 -20.04302 -22.51998 1.000 53.98957  ? 690 CYS A CA  1 
ATOM   592  C C   . CYS A 1 113 ? -25.34229 -21.28462 -21.73439 1.000 56.33188  ? 690 CYS A C   1 
ATOM   593  O O   . CYS A 1 113 ? -25.69470 -21.43148 -20.56083 1.000 57.63392  ? 690 CYS A O   1 
ATOM   594  C CB  . CYS A 1 113 ? -24.54875 -19.13399 -22.74037 1.000 53.00209  ? 690 CYS A CB  1 
ATOM   595  S SG  . CYS A 1 113 ? -23.70822 -18.67469 -21.22054 1.000 53.28907  ? 690 CYS A SG  1 
ATOM   596  N N   . PRO A 1 114 ? -24.63111 -22.22439 -22.34936 1.000 56.98001  ? 691 PRO A N   1 
ATOM   597  C CA  . PRO A 1 114 ? -24.11743 -23.35147 -21.56674 1.000 59.65955  ? 691 PRO A CA  1 
ATOM   598  C C   . PRO A 1 114 ? -23.01429 -22.87921 -20.63259 1.000 60.11791  ? 691 PRO A C   1 
ATOM   599  O O   . PRO A 1 114 ? -22.27885 -21.93155 -20.92900 1.000 57.40279  ? 691 PRO A O   1 
ATOM   600  C CB  . PRO A 1 114 ? -23.58840 -24.32356 -22.63254 1.000 59.09964  ? 691 PRO A CB  1 
ATOM   601  C CG  . PRO A 1 114 ? -24.27512 -23.88925 -23.91592 1.000 60.73951  ? 691 PRO A CG  1 
ATOM   602  C CD  . PRO A 1 114 ? -24.39328 -22.40339 -23.79507 1.000 55.28894  ? 691 PRO A CD  1 
ATOM   603  N N   . TRP A 1 115 ? -22.92185 -23.54353 -19.47310 1.000 63.79486  ? 692 TRP A N   1 
ATOM   604  C CA  . TRP A 1 115 ? -21.89439 -23.18343 -18.49372 1.000 64.06500  ? 692 TRP A CA  1 
ATOM   605  C C   . TRP A 1 115 ? -20.48804 -23.59110 -18.95124 1.000 64.28015  ? 692 TRP A C   1 
ATOM   606  O O   . TRP A 1 115 ? -19.50376 -22.93454 -18.58270 1.000 61.64179  ? 692 TRP A O   1 
ATOM   607  C CB  . TRP A 1 115 ? -22.21435 -23.80610 -17.12421 1.000 65.30157  ? 692 TRP A CB  1 
ATOM   608  C CG  . TRP A 1 115 ? -21.31003 -23.29800 -16.02175 1.000 64.73425  ? 692 TRP A CG  1 
ATOM   609  C CD1 . TRP A 1 115 ? -20.22348 -23.94056 -15.48778 1.000 64.66658  ? 692 TRP A CD1 1 
ATOM   610  C CD2 . TRP A 1 115 ? -21.40622 -22.03788 -15.33335 1.000 63.16900  ? 692 TRP A CD2 1 
ATOM   611  N NE1 . TRP A 1 115 ? -19.64311 -23.15974 -14.51260 1.000 66.46092  ? 692 TRP A NE1 1 
ATOM   612  C CE2 . TRP A 1 115 ? -20.34470 -21.98476 -14.40606 1.000 64.16605  ? 692 TRP A CE2 1 
ATOM   613  C CE3 . TRP A 1 115 ? -22.28157 -20.95283 -15.41504 1.000 62.60318  ? 692 TRP A CE3 1 
ATOM   614  C CZ2 . TRP A 1 115 ? -20.14787 -20.89392 -13.56085 1.000 65.96003  ? 692 TRP A CZ2 1 
ATOM   615  C CZ3 . TRP A 1 115 ? -22.07498 -19.86669 -14.58678 1.000 62.69994  ? 692 TRP A CZ3 1 
ATOM   616  C CH2 . TRP A 1 115 ? -21.02339 -19.84469 -13.66970 1.000 65.33101  ? 692 TRP A CH2 1 
ATOM   617  N N   . VAL A 1 116 ? -20.36091 -24.65569 -19.74630 1.000 68.65910  ? 693 VAL A N   1 
ATOM   618  C CA  . VAL A 1 116 ? -19.07371 -25.06441 -20.29899 1.000 68.48353  ? 693 VAL A CA  1 
ATOM   619  C C   . VAL A 1 116 ? -19.14788 -25.01922 -21.82019 1.000 69.05598  ? 693 VAL A C   1 
ATOM   620  O O   . VAL A 1 116 ? -20.03410 -25.63747 -22.42672 1.000 67.86414  ? 693 VAL A O   1 
ATOM   621  C CB  . VAL A 1 116 ? -18.65199 -26.46929 -19.83364 1.000 71.43679  ? 693 VAL A CB  1 
ATOM   622  C CG1 . VAL A 1 116 ? -17.18459 -26.70995 -20.18436 1.000 69.16674  ? 693 VAL A CG1 1 
ATOM   623  C CG2 . VAL A 1 116 ? -18.91504 -26.65413 -18.33793 1.000 71.70237  ? 693 VAL A CG2 1 
ATOM   624  N N   . VAL A 1 117 ? -18.20000 -24.30337 -22.42727 1.000 63.19937  ? 694 VAL A N   1 
ATOM   625  C CA  . VAL A 1 117 ? -18.06670 -24.27886 -23.87500 1.000 62.83007  ? 694 VAL A CA  1 
ATOM   626  C C   . VAL A 1 117 ? -17.48713 -25.59983 -24.35666 1.000 65.23425  ? 694 VAL A C   1 
ATOM   627  O O   . VAL A 1 117 ? -16.47969 -26.09026 -23.82783 1.000 64.00158  ? 694 VAL A O   1 
ATOM   628  C CB  . VAL A 1 117 ? -17.19567 -23.08987 -24.29800 1.000 64.17686  ? 694 VAL A CB  1 
ATOM   629  C CG1 . VAL A 1 117 ? -16.95777 -23.10592 -25.79431 1.000 61.95419  ? 694 VAL A CG1 1 
ATOM   630  C CG2 . VAL A 1 117 ? -17.86850 -21.79888 -23.86512 1.000 62.01541  ? 694 VAL A CG2 1 
ATOM   631  N N   . THR A 1 118 ? -18.12307 -26.18416 -25.36546 1.000 71.98465  ? 695 THR A N   1 
ATOM   632  C CA  . THR A 1 118 ? -17.73936 -27.44356 -25.97499 1.000 74.63335  ? 695 THR A CA  1 
ATOM   633  C C   . THR A 1 118 ? -17.43169 -27.22447 -27.45431 1.000 76.63598  ? 695 THR A C   1 
ATOM   634  O O   . THR A 1 118 ? -17.92259 -26.26066 -28.05768 1.000 73.79756  ? 695 THR A O   1 
ATOM   635  C CB  . THR A 1 118 ? -18.86818 -28.47410 -25.81480 1.000 78.96848  ? 695 THR A CB  1 
ATOM   636  O OG1 . THR A 1 118 ? -19.88980 -28.21440 -26.78417 1.000 78.47419  ? 695 THR A OG1 1 
ATOM   637  C CG2 . THR A 1 118 ? -19.48777 -28.36400 -24.42127 1.000 76.56438  ? 695 THR A CG2 1 
ATOM   638  N N   . PRO A 1 119 ? -16.61124 -28.08939 -28.07473 1.000 69.49893  ? 696 PRO A N   1 
ATOM   639  C CA  . PRO A 1 119 ? -16.34666 -27.91718 -29.51731 1.000 66.54910  ? 696 PRO A CA  1 
ATOM   640  C C   . PRO A 1 119 ? -17.58760 -28.10825 -30.38387 1.000 66.50274  ? 696 PRO A C   1 
ATOM   641  O O   . PRO A 1 119 ? -17.67403 -27.48290 -31.44941 1.000 64.72894  ? 696 PRO A O   1 
ATOM   642  C CB  . PRO A 1 119 ? -15.25945 -28.96152 -29.82492 1.000 68.91167  ? 696 PRO A CB  1 
ATOM   643  C CG  . PRO A 1 119 ? -14.87932 -29.60148 -28.52513 1.000 68.28037  ? 696 PRO A CG  1 
ATOM   644  C CD  . PRO A 1 119 ? -15.92687 -29.26619 -27.50609 1.000 73.27258  ? 696 PRO A CD  1 
ATOM   645  N N   . GLU A 1 120 ? -18.55339 -28.93344 -29.95066 1.000 71.17535  ? 697 GLU A N   1 
ATOM   646  C CA  . GLU A 1 120 ? -19.84765 -29.01210 -30.63054 1.000 73.04047  ? 697 GLU A CA  1 
ATOM   647  C C   . GLU A 1 120 ? -20.55296 -27.66232 -30.62118 1.000 72.00462  ? 697 GLU A C   1 
ATOM   648  O O   . GLU A 1 120 ? -21.19433 -27.28566 -31.60852 1.000 72.13542  ? 697 GLU A O   1 
ATOM   649  C CB  . GLU A 1 120 ? -20.75142 -30.06162 -29.96905 1.000 72.93367  ? 697 GLU A CB  1 
ATOM   650  C CG  . GLU A 1 120 ? -20.32403 -31.51001 -30.13972 1.000 79.69347  ? 697 GLU A CG  1 
ATOM   651  C CD  . GLU A 1 120 ? -19.04220 -31.83058 -29.39044 1.000 81.13288  ? 697 GLU A CD  1 
ATOM   652  O OE1 . GLU A 1 120 ? -18.87528 -31.32540 -28.25240 1.000 81.14029  ? 697 GLU A OE1 1 
ATOM   653  O OE2 . GLU A 1 120 ? -18.19730 -32.57291 -29.94979 1.000 81.34685  ? 697 GLU A OE2 1 
ATOM   654  N N   . PHE A 1 121 ? -20.47124 -26.93734 -29.49654 1.000 63.81139  ? 698 PHE A N   1 
ATOM   655  C CA  . PHE A 1 121 ? -21.07668 -25.60867 -29.40617 1.000 64.33549  ? 698 PHE A CA  1 
ATOM   656  C C   . PHE A 1 121 ? -20.47043 -24.65499 -30.43340 1.000 60.00072  ? 698 PHE A C   1 
ATOM   657  O O   . PHE A 1 121 ? -21.19314 -23.90297 -31.09672 1.000 61.37688  ? 698 PHE A O   1 
ATOM   658  C CB  . PHE A 1 121 ? -20.91658 -25.06349 -27.98299 1.000 61.80086  ? 698 PHE A CB  1 
ATOM   659  C CG  . PHE A 1 121 ? -21.55259 -23.71118 -27.75924 1.000 61.32715  ? 698 PHE A CG  1 
ATOM   660  C CD1 . PHE A 1 121 ? -22.88418 -23.60845 -27.38095 1.000 62.53743  ? 698 PHE A CD1 1 
ATOM   661  C CD2 . PHE A 1 121 ? -20.80794 -22.54391 -27.87339 1.000 59.54431  ? 698 PHE A CD2 1 
ATOM   662  C CE1 . PHE A 1 121 ? -23.46915 -22.37072 -27.15320 1.000 61.42976  ? 698 PHE A CE1 1 
ATOM   663  C CE2 . PHE A 1 121 ? -21.39246 -21.29164 -27.63990 1.000 55.82258  ? 698 PHE A CE2 1 
ATOM   664  C CZ  . PHE A 1 121 ? -22.72078 -21.20893 -27.28311 1.000 56.73515  ? 698 PHE A CZ  1 
ATOM   665  N N   . LEU A 1 122 ? -19.14639 -24.68644 -30.59278 1.000 61.16474  ? 699 LEU A N   1 
ATOM   666  C CA  . LEU A 1 122 ? -18.49791 -23.80931 -31.56054 1.000 61.45947  ? 699 LEU A CA  1 
ATOM   667  C C   . LEU A 1 122 ? -18.90637 -24.15328 -32.99766 1.000 64.24951  ? 699 LEU A C   1 
ATOM   668  O O   . LEU A 1 122 ? -19.15441 -23.25422 -33.81229 1.000 61.47063  ? 699 LEU A O   1 
ATOM   669  C CB  . LEU A 1 122 ? -16.97940 -23.88112 -31.36329 1.000 60.09237  ? 699 LEU A CB  1 
ATOM   670  C CG  . LEU A 1 122 ? -16.53863 -23.52434 -29.92508 1.000 62.19763  ? 699 LEU A CG  1 
ATOM   671  C CD1 . LEU A 1 122 ? -15.03313 -23.44242 -29.79528 1.000 63.21008  ? 699 LEU A CD1 1 
ATOM   672  C CD2 . LEU A 1 122 ? -17.16312 -22.22120 -29.43136 1.000 57.67942  ? 699 LEU A CD2 1 
ATOM   673  N N   . GLU A 1 123 ? -19.02668 -25.44391 -33.31641 1.000 83.59629  ? 700 GLU A N   1 
ATOM   674  C CA  . GLU A 1 123 ? -19.47242 -25.83957 -34.64794 1.000 86.41902  ? 700 GLU A CA  1 
ATOM   675  C C   . GLU A 1 123 ? -20.91353 -25.42768 -34.90887 1.000 87.06046  ? 700 GLU A C   1 
ATOM   676  O O   . GLU A 1 123 ? -21.24930 -24.99619 -36.01615 1.000 88.59692  ? 700 GLU A O   1 
ATOM   677  C CB  . GLU A 1 123 ? -19.30817 -27.35006 -34.83051 1.000 85.82556  ? 700 GLU A CB  1 
ATOM   678  C CG  . GLU A 1 123 ? -17.91462 -27.67149 -35.29424 1.000 88.43936  ? 700 GLU A CG  1 
ATOM   679  C CD  . GLU A 1 123 ? -17.59243 -26.96770 -36.60933 1.000 90.56099  ? 700 GLU A CD  1 
ATOM   680  O OE1 . GLU A 1 123 ? -18.43790 -27.01018 -37.53831 1.000 92.45099  ? 700 GLU A OE1 1 
ATOM   681  O OE2 . GLU A 1 123 ? -16.52232 -26.31540 -36.69541 1.000 88.37134  ? 700 GLU A OE2 1 
ATOM   682  N N   . LYS A 1 124 ? -21.77824 -25.54250 -33.90289 1.000 62.34519  ? 701 LYS A N   1 
ATOM   683  C CA  . LYS A 1 124 ? -23.20053 -25.31031 -34.13129 1.000 65.57724  ? 701 LYS A CA  1 
ATOM   684  C C   . LYS A 1 124 ? -23.49022 -23.84144 -34.43084 1.000 66.65405  ? 701 LYS A C   1 
ATOM   685  O O   . LYS A 1 124 ? -24.39676 -23.53022 -35.21168 1.000 68.54958  ? 701 LYS A O   1 
ATOM   686  C CB  . LYS A 1 124 ? -24.00308 -25.78558 -32.92457 1.000 67.31205  ? 701 LYS A CB  1 
ATOM   687  C CG  . LYS A 1 124 ? -25.43439 -25.28647 -32.89492 1.000 70.92766  ? 701 LYS A CG  1 
ATOM   688  C CD  . LYS A 1 124 ? -26.06356 -25.49198 -31.52162 1.000 72.27550  ? 701 LYS A CD  1 
ATOM   689  C CE  . LYS A 1 124 ? -27.50150 -25.96235 -31.63863 1.000 76.23033  ? 701 LYS A CE  1 
ATOM   690  N NZ  . LYS A 1 124 ? -28.28011 -25.57532 -30.43536 1.000 75.25295  ? 701 LYS A NZ  1 
ATOM   691  N N   . TYR A 1 125 ? -22.73847 -22.92320 -33.82403 1.000 62.32213  ? 702 TYR A N   1 
ATOM   692  C CA  . TYR A 1 125 ? -22.95203 -21.49161 -34.01931 1.000 62.01903  ? 702 TYR A CA  1 
ATOM   693  C C   . TYR A 1 125 ? -21.88686 -20.86504 -34.91207 1.000 58.81937  ? 702 TYR A C   1 
ATOM   694  O O   . TYR A 1 125 ? -21.79094 -19.63495 -34.96963 1.000 56.72244  ? 702 TYR A O   1 
ATOM   695  C CB  . TYR A 1 125 ? -23.01308 -20.76902 -32.66145 1.000 60.15863  ? 702 TYR A CB  1 
ATOM   696  C CG  . TYR A 1 125 ? -24.21572 -21.15048 -31.81189 1.000 61.70146  ? 702 TYR A CG  1 
ATOM   697  C CD1 . TYR A 1 125 ? -25.44405 -20.51969 -31.98155 1.000 64.30229  ? 702 TYR A CD1 1 
ATOM   698  C CD2 . TYR A 1 125 ? -24.12081 -22.15006 -30.84478 1.000 61.85173  ? 702 TYR A CD2 1 
ATOM   699  C CE1 . TYR A 1 125 ? -26.54008 -20.87239 -31.20998 1.000 66.66557  ? 702 TYR A CE1 1 
ATOM   700  C CE2 . TYR A 1 125 ? -25.21091 -22.50629 -30.07168 1.000 62.03716  ? 702 TYR A CE2 1 
ATOM   701  C CZ  . TYR A 1 125 ? -26.41594 -21.87541 -30.26307 1.000 64.51551  ? 702 TYR A CZ  1 
ATOM   702  O OH  . TYR A 1 125 ? -27.49141 -22.23667 -29.48578 1.000 66.74942  ? 702 TYR A OH  1 
ATOM   703  N N   . LYS A 1 126 ? -21.10011 -21.69101 -35.60782 1.000 68.47269  ? 703 LYS A N   1 
ATOM   704  C CA  . LYS A 1 126 ? -20.02775 -21.26020 -36.50637 1.000 66.32231  ? 703 LYS A CA  1 
ATOM   705  C C   . LYS A 1 126 ? -19.20543 -20.12654 -35.88844 1.000 62.71654  ? 703 LYS A C   1 
ATOM   706  O O   . LYS A 1 126 ? -19.07502 -19.03505 -36.43750 1.000 65.72898  ? 703 LYS A O   1 
ATOM   707  C CB  . LYS A 1 126 ? -20.59585 -20.88815 -37.87805 1.000 70.74876  ? 703 LYS A CB  1 
ATOM   708  C CG  . LYS A 1 126 ? -21.53589 -21.97283 -38.44579 0.900 76.04551  ? 703 LYS A CG  1 
ATOM   709  C CD  . LYS A 1 126 ? -22.47595 -21.49155 -39.56408 0.800 79.53795  ? 703 LYS A CD  1 
ATOM   710  C CE  . LYS A 1 126 ? -21.74283 -20.91060 -40.77363 0.800 79.85637  ? 703 LYS A CE  1 
ATOM   711  N NZ  . LYS A 1 126 ? -20.44776 -21.58892 -41.06526 0.600 78.07499  ? 703 LYS A NZ  1 
ATOM   712  N N   . ILE A 1 127 ? -18.64897 -20.42136 -34.70776 1.000 66.95053  ? 704 ILE A N   1 
ATOM   713  C CA  . ILE A 1 127 ? -17.85197 -19.47443 -33.92291 1.000 62.37449  ? 704 ILE A CA  1 
ATOM   714  C C   . ILE A 1 127 ? -16.38246 -19.62151 -34.29372 1.000 62.85597  ? 704 ILE A C   1 
ATOM   715  O O   . ILE A 1 127 ? -15.83913 -20.73611 -34.28486 1.000 63.16937  ? 704 ILE A O   1 
ATOM   716  C CB  . ILE A 1 127 ? -18.04511 -19.71156 -32.41626 1.000 62.71714  ? 704 ILE A CB  1 
ATOM   717  C CG1 . ILE A 1 127 ? -19.42246 -19.23230 -31.96810 1.000 64.01691  ? 704 ILE A CG1 1 
ATOM   718  C CG2 . ILE A 1 127 ? -16.93458 -19.03155 -31.60885 1.000 60.08761  ? 704 ILE A CG2 1 
ATOM   719  C CD1 . ILE A 1 127 ? -19.84839 -19.84365 -30.65620 1.000 61.47714  ? 704 ILE A CD1 1 
ATOM   720  N N   . ASP A 1 128 ? -15.72670 -18.49717 -34.59591 1.000 58.58524  ? 705 ASP A N   1 
ATOM   721  C CA  . ASP A 1 128 ? -14.32051 -18.54866 -34.99141 1.000 60.01468  ? 705 ASP A CA  1 
ATOM   722  C C   . ASP A 1 128 ? -13.37803 -18.32157 -33.81731 1.000 59.27571  ? 705 ASP A C   1 
ATOM   723  O O   . ASP A 1 128 ? -12.30117 -18.91990 -33.75880 1.000 58.67092  ? 705 ASP A O   1 
ATOM   724  C CB  . ASP A 1 128 ? -14.04249 -17.52088 -36.08671 1.000 59.06894  ? 705 ASP A CB  1 
ATOM   725  C CG  . ASP A 1 128 ? -14.79865 -17.82230 -37.37169 1.000 61.53154  ? 705 ASP A CG  1 
ATOM   726  O OD1 . ASP A 1 128 ? -14.67794 -18.96626 -37.87634 1.000 65.18601  ? 705 ASP A OD1 1 
ATOM   727  O OD2 . ASP A 1 128 ? -15.53452 -16.92766 -37.85859 1.000 60.57301  ? 705 ASP A OD2 1 
ATOM   728  N N   . TYR A 1 129 ? -13.74676 -17.46270 -32.88006 1.000 53.69930  ? 706 TYR A N   1 
ATOM   729  C CA  . TYR A 1 129 ? -12.91909 -17.24764 -31.70293 1.000 57.08005  ? 706 TYR A CA  1 
ATOM   730  C C   . TYR A 1 129 ? -13.79672 -17.11431 -30.46887 1.000 54.82305  ? 706 TYR A C   1 
ATOM   731  O O   . TYR A 1 129 ? -14.92253 -16.61109 -30.53295 1.000 52.12212  ? 706 TYR A O   1 
ATOM   732  C CB  . TYR A 1 129 ? -12.02377 -16.00139 -31.84210 1.000 58.77495  ? 706 TYR A CB  1 
ATOM   733  C CG  . TYR A 1 129 ? -11.13098 -16.02018 -33.06676 1.000 54.59596  ? 706 TYR A CG  1 
ATOM   734  C CD1 . TYR A 1 129 ? -11.57821 -15.51186 -34.28241 1.000 55.46941  ? 706 TYR A CD1 1 
ATOM   735  C CD2 . TYR A 1 129 ? -9.84802  -16.54544 -33.00463 1.000 57.56560  ? 706 TYR A CD2 1 
ATOM   736  C CE1 . TYR A 1 129 ? -10.76551 -15.52877 -35.41737 1.000 56.79533  ? 706 TYR A CE1 1 
ATOM   737  C CE2 . TYR A 1 129 ? -9.02695  -16.56723 -34.12504 1.000 60.90375  ? 706 TYR A CE2 1 
ATOM   738  C CZ  . TYR A 1 129 ? -9.49936  -16.06097 -35.33075 1.000 57.52707  ? 706 TYR A CZ  1 
ATOM   739  O OH  . TYR A 1 129 ? -8.69956  -16.08488 -36.43920 1.000 59.35710  ? 706 TYR A OH  1 
ATOM   740  N N   . VAL A 1 130 ? -13.26600 -17.57585 -29.34414 1.000 56.26127  ? 707 VAL A N   1 
ATOM   741  C CA  . VAL A 1 130 ? -13.84171 -17.32260 -28.03215 1.000 52.09849  ? 707 VAL A CA  1 
ATOM   742  C C   . VAL A 1 130 ? -12.97777 -16.25023 -27.38148 1.000 58.09028  ? 707 VAL A C   1 
ATOM   743  O O   . VAL A 1 130 ? -11.74132 -16.35277 -27.39782 1.000 62.13490  ? 707 VAL A O   1 
ATOM   744  C CB  . VAL A 1 130 ? -13.87709 -18.60929 -27.17967 1.000 55.79973  ? 707 VAL A CB  1 
ATOM   745  C CG1 . VAL A 1 130 ? -14.13182 -18.28900 -25.72145 1.000 54.99526  ? 707 VAL A CG1 1 
ATOM   746  C CG2 . VAL A 1 130 ? -14.92609 -19.58101 -27.68319 1.000 52.07275  ? 707 VAL A CG2 1 
ATOM   747  N N   . ALA A 1 131 ? -13.60610 -15.20184 -26.84619 1.000 54.70495  ? 708 ALA A N   1 
ATOM   748  C CA  . ALA A 1 131 ? -12.88186 -14.12572 -26.17653 1.000 61.24842  ? 708 ALA A CA  1 
ATOM   749  C C   . ALA A 1 131 ? -13.18632 -14.19067 -24.68764 1.000 61.50731  ? 708 ALA A C   1 
ATOM   750  O O   . ALA A 1 131 ? -14.34337 -14.03135 -24.29042 1.000 61.42680  ? 708 ALA A O   1 
ATOM   751  C CB  . ALA A 1 131 ? -13.26190 -12.75423 -26.74409 1.000 59.71203  ? 708 ALA A CB  1 
ATOM   752  N N   . HIS A 1 132 ? -12.15939 -14.44857 -23.87223 1.000 74.92659  ? 709 HIS A N   1 
ATOM   753  C CA  . HIS A 1 132 ? -12.27411 -14.51377 -22.41653 1.000 78.23969  ? 709 HIS A CA  1 
ATOM   754  C C   . HIS A 1 132 ? -11.11993 -13.72679 -21.81556 1.000 81.56332  ? 709 HIS A C   1 
ATOM   755  O O   . HIS A 1 132 ? -10.23227 -13.25330 -22.52875 1.000 80.74697  ? 709 HIS A O   1 
ATOM   756  C CB  . HIS A 1 132 ? -12.27019 -15.96370 -21.89601 1.000 79.34969  ? 709 HIS A CB  1 
ATOM   757  N N   . ASP A 1 133 ? -11.12847 -13.57801 -20.49447 1.000 86.17936  ? 710 ASP A N   1 
ATOM   758  C CA  . ASP A 1 133 ? -10.07898 -12.78769 -19.85801 1.000 90.56834  ? 710 ASP A CA  1 
ATOM   759  C C   . ASP A 1 133 ? -8.93685  -13.67486 -19.38174 1.000 91.84381  ? 710 ASP A C   1 
ATOM   760  O O   . ASP A 1 133 ? -7.77788  -13.41526 -19.70039 1.000 93.40028  ? 710 ASP A O   1 
ATOM   761  C CB  . ASP A 1 133 ? -10.64274 -11.96052 -18.69564 1.000 91.84169  ? 710 ASP A CB  1 
ATOM   762  C CG  . ASP A 1 133 ? -11.65766 -12.72368 -17.87522 1.000 95.54127  ? 710 ASP A CG  1 
ATOM   763  O OD1 . ASP A 1 133 ? -12.64690 -13.21182 -18.46749 1.000 93.31259  ? 710 ASP A OD1 1 
ATOM   764  O OD2 . ASP A 1 133 ? -11.47388 -12.82710 -16.64066 1.000 100.29874 ? 710 ASP A OD2 1 
ATOM   765  N N   . ILE A 1 145 ? -10.42563 -25.41054 -17.74752 1.000 90.13973  ? 740 ILE A N   1 
ATOM   766  C CA  . ILE A 1 145 ? -9.40862  -24.58029 -18.37142 1.000 88.69419  ? 740 ILE A CA  1 
ATOM   767  C C   . ILE A 1 145 ? -9.71811  -24.46487 -19.85186 1.000 89.56031  ? 740 ILE A C   1 
ATOM   768  O O   . ILE A 1 145 ? -10.31834 -25.36422 -20.44900 1.000 90.12643  ? 740 ILE A O   1 
ATOM   769  C CB  . ILE A 1 145 ? -7.97550  -25.13478 -18.14705 1.000 87.28453  ? 740 ILE A CB  1 
ATOM   770  C CG1 . ILE A 1 145 ? -6.92571  -24.06002 -18.44783 1.000 86.54018  ? 740 ILE A CG1 1 
ATOM   771  C CG2 . ILE A 1 145 ? -7.73155  -26.36166 -19.00541 1.000 87.08872  ? 740 ILE A CG2 1 
ATOM   772  C CD1 . ILE A 1 145 ? -5.55222  -24.41122 -17.98258 1.000 86.14460  ? 740 ILE A CD1 1 
ATOM   773  N N   . TYR A 1 146 ? -9.31273  -23.33747 -20.43920 1.000 86.10550  ? 741 TYR A N   1 
ATOM   774  C CA  . TYR A 1 146 ? -9.46571  -23.09625 -21.86605 1.000 82.09377  ? 741 TYR A CA  1 
ATOM   775  C C   . TYR A 1 146 ? -8.24657  -23.55395 -22.67482 1.000 80.10601  ? 741 TYR A C   1 
ATOM   776  O O   . TYR A 1 146 ? -7.94410  -22.96381 -23.71998 1.000 77.38618  ? 741 TYR A O   1 
ATOM   777  C CB  . TYR A 1 146 ? -9.75777  -21.61408 -22.11044 1.000 79.82251  ? 741 TYR A CB  1 
ATOM   778  N N   . ALA A 1 147 ? -7.54655  -24.60116 -22.22277 1.000 72.21102  ? 742 ALA A N   1 
ATOM   779  C CA  . ALA A 1 147 ? -6.38525  -25.10954 -22.95178 1.000 69.48966  ? 742 ALA A CA  1 
ATOM   780  C C   . ALA A 1 147 ? -6.76225  -25.55672 -24.36338 1.000 70.25972  ? 742 ALA A C   1 
ATOM   781  O O   . ALA A 1 147 ? -6.08049  -25.22286 -25.34521 1.000 66.41915  ? 742 ALA A O   1 
ATOM   782  C CB  . ALA A 1 147 ? -5.75023  -26.25878 -22.17419 1.000 67.36729  ? 742 ALA A CB  1 
ATOM   783  N N   . TRP A 1 148 ? -7.85663  -26.30781 -24.48588 1.000 74.26020  ? 743 TRP A N   1 
ATOM   784  C CA  . TRP A 1 148 ? -8.24982  -26.80591 -25.79615 1.000 73.12857  ? 743 TRP A CA  1 
ATOM   785  C C   . TRP A 1 148 ? -8.55864  -25.67203 -26.76687 1.000 72.20181  ? 743 TRP A C   1 
ATOM   786  O O   . TRP A 1 148 ? -8.32777  -25.81448 -27.97205 1.000 71.48974  ? 743 TRP A O   1 
ATOM   787  C CB  . TRP A 1 148 ? -9.44279  -27.75110 -25.65756 1.000 74.62066  ? 743 TRP A CB  1 
ATOM   788  C CG  . TRP A 1 148 ? -10.73430 -27.09531 -25.24221 1.000 71.78232  ? 743 TRP A CG  1 
ATOM   789  C CD1 . TRP A 1 148 ? -11.14705 -26.80964 -23.96831 1.000 74.45591  ? 743 TRP A CD1 1 
ATOM   790  C CD2 . TRP A 1 148 ? -11.78214 -26.65736 -26.11056 1.000 71.43532  ? 743 TRP A CD2 1 
ATOM   791  N NE1 . TRP A 1 148 ? -12.39152 -26.22037 -23.99493 1.000 73.04329  ? 743 TRP A NE1 1 
ATOM   792  C CE2 . TRP A 1 148 ? -12.80322 -26.11774 -25.29806 1.000 72.37846  ? 743 TRP A CE2 1 
ATOM   793  C CE3 . TRP A 1 148 ? -11.95633 -26.66618 -27.50120 1.000 73.51782  ? 743 TRP A CE3 1 
ATOM   794  C CZ2 . TRP A 1 148 ? -13.98238 -25.59076 -25.83225 1.000 74.71002  ? 743 TRP A CZ2 1 
ATOM   795  C CZ3 . TRP A 1 148 ? -13.12719 -26.14387 -28.02975 1.000 74.35342  ? 743 TRP A CZ3 1 
ATOM   796  C CH2 . TRP A 1 148 ? -14.12240 -25.61150 -27.19793 1.000 72.50002  ? 743 TRP A CH2 1 
ATOM   797  N N   . LEU A 1 149 ? -9.07133  -24.54155 -26.26735 1.000 58.69742  ? 744 LEU A N   1 
ATOM   798  C CA  . LEU A 1 149 ? -9.34096  -23.39862 -27.13242 1.000 57.55385  ? 744 LEU A CA  1 
ATOM   799  C C   . LEU A 1 149 ? -8.05557  -22.82194 -27.69955 1.000 55.80533  ? 744 LEU A C   1 
ATOM   800  O O   . LEU A 1 149 ? -8.00824  -22.42746 -28.87063 1.000 56.39747  ? 744 LEU A O   1 
ATOM   801  C CB  . LEU A 1 149 ? -10.10262 -22.32126 -26.36491 1.000 57.94801  ? 744 LEU A CB  1 
ATOM   802  C CG  . LEU A 1 149 ? -11.57138 -22.64154 -26.11166 1.000 57.97871  ? 744 LEU A CG  1 
ATOM   803  C CD1 . LEU A 1 149 ? -12.09747 -21.76139 -24.99873 1.000 57.61318  ? 744 LEU A CD1 1 
ATOM   804  C CD2 . LEU A 1 149 ? -12.37344 -22.41437 -27.38896 1.000 55.41218  ? 744 LEU A CD2 1 
ATOM   805  N N   . LYS A 1 150 ? -7.01112  -22.74198 -26.88256 1.000 55.77257  ? 745 LYS A N   1 
ATOM   806  C CA  . LYS A 1 150 ? -5.76184  -22.18825 -27.37347 1.000 55.91587  ? 745 LYS A CA  1 
ATOM   807  C C   . LYS A 1 150 ? -5.11814  -23.14011 -28.37086 1.000 57.17752  ? 745 LYS A C   1 
ATOM   808  O O   . LYS A 1 150 ? -4.62779  -22.70229 -29.42428 1.000 56.03569  ? 745 LYS A O   1 
ATOM   809  C CB  . LYS A 1 150 ? -4.83022  -21.88116 -26.20153 1.000 57.83013  ? 745 LYS A CB  1 
ATOM   810  C CG  . LYS A 1 150 ? -5.53434  -21.32739 -24.94724 1.000 62.12444  ? 745 LYS A CG  1 
ATOM   811  C CD  . LYS A 1 150 ? -4.74296  -20.19878 -24.22640 1.000 64.49369  ? 745 LYS A CD  1 
ATOM   812  C CE  . LYS A 1 150 ? -5.39066  -19.77346 -22.88094 1.000 64.82132  ? 745 LYS A CE  1 
ATOM   813  N NZ  . LYS A 1 150 ? -4.49779  -19.88313 -21.67042 1.000 65.73903  ? 745 LYS A NZ  1 
ATOM   814  N N   . ARG A 1 151 ? -5.15314  -24.45028 -28.06603 1.000 68.63725  ? 746 ARG A N   1 
ATOM   815  C CA  . ARG A 1 151 ? -4.63825  -25.48379 -28.96255 1.000 67.35132  ? 746 ARG A CA  1 
ATOM   816  C C   . ARG A 1 151 ? -5.27851  -25.41290 -30.33698 1.000 67.76642  ? 746 ARG A C   1 
ATOM   817  O O   . ARG A 1 151 ? -4.63149  -25.73251 -31.34197 1.000 67.92185  ? 746 ARG A O   1 
ATOM   818  C CB  . ARG A 1 151 ? -4.88209  -26.87177 -28.36514 1.000 68.06151  ? 746 ARG A CB  1 
ATOM   819  C CG  . ARG A 1 151 ? -3.63791  -27.66031 -28.02666 1.000 71.87991  ? 746 ARG A CG  1 
ATOM   820  C CD  . ARG A 1 151 ? -3.67285  -28.22681 -26.60532 1.000 74.25508  ? 746 ARG A CD  1 
ATOM   821  N NE  . ARG A 1 151 ? -4.82514  -29.09290 -26.38520 1.000 79.61923  ? 746 ARG A NE  1 
ATOM   822  C CZ  . ARG A 1 151 ? -5.30380  -29.40189 -25.18463 1.000 78.13686  ? 746 ARG A CZ  1 
ATOM   823  N NH1 . ARG A 1 151 ? -4.67121  -29.05362 -24.07727 1.000 83.40135  ? 746 ARG A NH1 1 
ATOM   824  N NH2 . ARG A 1 151 ? -6.45406  -30.06355 -25.09109 1.000 71.23002  ? 746 ARG A NH2 1 
ATOM   825  N N   . ALA A 1 152 ? -6.54756  -25.02753 -30.40185 1.000 53.30982  ? 747 ALA A N   1 
ATOM   826  C CA  . ALA A 1 152 ? -7.25363  -24.94133 -31.66732 1.000 53.84327  ? 747 ALA A CA  1 
ATOM   827  C C   . ALA A 1 152 ? -7.08518  -23.58788 -32.33208 1.000 54.26522  ? 747 ALA A C   1 
ATOM   828  O O   . ALA A 1 152 ? -7.62917  -23.38187 -33.42105 1.000 53.15797  ? 747 ALA A O   1 
ATOM   829  C CB  . ALA A 1 152 ? -8.74675  -25.24524 -31.47087 1.000 52.91013  ? 747 ALA A CB  1 
ATOM   830  N N   . GLY A 1 153 ? -6.33358  -22.66937 -31.72242 1.000 54.54942  ? 748 GLY A N   1 
ATOM   831  C CA  . GLY A 1 153 ? -6.20231  -21.34414 -32.29925 1.000 53.18838  ? 748 GLY A CA  1 
ATOM   832  C C   . GLY A 1 153 ? -7.45644  -20.49740 -32.22524 1.000 54.75794  ? 748 GLY A C   1 
ATOM   833  O O   . GLY A 1 153 ? -7.57551  -19.50927 -32.96380 1.000 53.86791  ? 748 GLY A O   1 
ATOM   834  N N   . LYS A 1 154 ? -8.39267  -20.84762 -31.33929 1.000 64.10873  ? 749 LYS A N   1 
ATOM   835  C CA  . LYS A 1 154 ? -9.67431  -20.16714 -31.22121 1.000 64.88034  ? 749 LYS A CA  1 
ATOM   836  C C   . LYS A 1 154 ? -9.77955  -19.30420 -29.95981 1.000 66.79973  ? 749 LYS A C   1 
ATOM   837  O O   . LYS A 1 154 ? -10.88773 -18.90728 -29.57801 1.000 66.62202  ? 749 LYS A O   1 
ATOM   838  C CB  . LYS A 1 154 ? -10.80171 -21.19857 -31.26683 1.000 63.87295  ? 749 LYS A CB  1 
ATOM   839  C CG  . LYS A 1 154 ? -11.06580 -21.71522 -32.67098 1.000 63.91297  ? 749 LYS A CG  1 
ATOM   840  C CD  . LYS A 1 154 ? -12.09584 -22.82886 -32.69261 1.000 64.54388  ? 749 LYS A CD  1 
ATOM   841  C CE  . LYS A 1 154 ? -12.58388 -23.09428 -34.11867 1.000 69.67230  ? 749 LYS A CE  1 
ATOM   842  N NZ  . LYS A 1 154 ? -12.13980 -22.03533 -35.09585 1.000 70.46691  ? 749 LYS A NZ  1 
ATOM   843  N N   . PHE A 1 155 ? -8.65404  -18.97980 -29.32108 1.000 69.17162  ? 750 PHE A N   1 
ATOM   844  C CA  . PHE A 1 155 ? -8.63963  -18.20159 -28.08420 1.000 71.03577  ? 750 PHE A CA  1 
ATOM   845  C C   . PHE A 1 155 ? -8.09703  -16.79839 -28.33636 1.000 71.97230  ? 750 PHE A C   1 
ATOM   846  O O   . PHE A 1 155 ? -7.00994  -16.63859 -28.90915 1.000 72.23130  ? 750 PHE A O   1 
ATOM   847  C CB  . PHE A 1 155 ? -7.79558  -18.89176 -27.00665 1.000 72.90154  ? 750 PHE A CB  1 
ATOM   848  C CG  . PHE A 1 155 ? -7.84514  -18.20749 -25.66531 1.000 76.44705  ? 750 PHE A CG  1 
ATOM   849  C CD1 . PHE A 1 155 ? -6.87184  -17.28672 -25.30396 1.000 78.47981  ? 750 PHE A CD1 1 
ATOM   850  C CD2 . PHE A 1 155 ? -8.86054  -18.49462 -24.75754 1.000 78.68524  ? 750 PHE A CD2 1 
ATOM   851  C CE1 . PHE A 1 155 ? -6.91266  -16.65305 -24.06787 1.000 79.67893  ? 750 PHE A CE1 1 
ATOM   852  C CE2 . PHE A 1 155 ? -8.90813  -17.86312 -23.51062 1.000 79.74911  ? 750 PHE A CE2 1 
ATOM   853  C CZ  . PHE A 1 155 ? -7.93104  -16.94146 -23.16996 1.000 81.20951  ? 750 PHE A CZ  1 
ATOM   854  N N   . LYS A 1 156 ? -8.84805  -15.78966 -27.88469 1.000 64.96158  ? 751 LYS A N   1 
ATOM   855  C CA  . LYS A 1 156 ? -8.44767  -14.38647 -27.96372 1.000 67.85775  ? 751 LYS A CA  1 
ATOM   856  C C   . LYS A 1 156 ? -8.66793  -13.73922 -26.60214 1.000 69.60654  ? 751 LYS A C   1 
ATOM   857  O O   . LYS A 1 156 ? -9.80061  -13.69500 -26.10583 1.000 69.37082  ? 751 LYS A O   1 
ATOM   858  C CB  . LYS A 1 156 ? -9.23113  -13.63651 -29.04665 1.000 64.80489  ? 751 LYS A CB  1 
ATOM   859  C CG  . LYS A 1 156 ? -8.89057  -14.02742 -30.48906 1.000 63.49474  ? 751 LYS A CG  1 
ATOM   860  C CD  . LYS A 1 156 ? -7.40763  -13.82067 -30.79752 1.000 65.00110  ? 751 LYS A CD  1 
ATOM   861  C CE  . LYS A 1 156 ? -7.19912  -13.06180 -32.09810 1.000 64.00316  ? 751 LYS A CE  1 
ATOM   862  N NZ  . LYS A 1 156 ? -6.10472  -12.05032 -31.99667 1.000 66.67978  ? 751 LYS A NZ  1 
ATOM   863  N N   . ALA A 1 157 ? -7.59289  -13.23104 -26.00568 1.000 65.59014  ? 752 ALA A N   1 
ATOM   864  C CA  . ALA A 1 157 ? -7.66622  -12.67129 -24.66296 1.000 68.53075  ? 752 ALA A CA  1 
ATOM   865  C C   . ALA A 1 157 ? -8.24371  -11.26146 -24.68055 1.000 67.84606  ? 752 ALA A C   1 
ATOM   866  O O   . ALA A 1 157 ? -8.08324  -10.51512 -25.64678 1.000 66.15056  ? 752 ALA A O   1 
ATOM   867  C CB  . ALA A 1 157 ? -6.28294  -12.64594 -24.01451 1.000 67.81883  ? 752 ALA A CB  1 
ATOM   868  N N   . THR A 1 158 ? -8.92349  -10.90849 -23.58779 1.000 75.59123  ? 753 THR A N   1 
ATOM   869  C CA  . THR A 1 158 ? -9.41453  -9.55886  -23.34014 1.000 76.12769  ? 753 THR A CA  1 
ATOM   870  C C   . THR A 1 158 ? -9.14336  -9.19697  -21.88164 1.000 78.04958  ? 753 THR A C   1 
ATOM   871  O O   . THR A 1 158 ? -8.90581  -10.06645 -21.03898 1.000 80.09397  ? 753 THR A O   1 
ATOM   872  C CB  . THR A 1 158 ? -10.91309 -9.42056  -23.65708 1.000 70.48091  ? 753 THR A CB  1 
ATOM   873  O OG1 . THR A 1 158 ? -11.64918 -10.45300 -22.98661 1.000 74.54007  ? 753 THR A OG1 1 
ATOM   874  C CG2 . THR A 1 158 ? -11.15745 -9.52027  -25.14552 1.000 68.86135  ? 753 THR A CG2 1 
ATOM   875  N N   . GLN A 1 159 ? -9.19628  -7.89742  -21.58827 1.000 84.39049  ? 754 GLN A N   1 
ATOM   876  C CA  . GLN A 1 159 ? -8.73971  -7.34316  -20.31723 1.000 83.94474  ? 754 GLN A CA  1 
ATOM   877  C C   . GLN A 1 159 ? -9.90649  -6.86401  -19.46297 1.000 85.93619  ? 754 GLN A C   1 
ATOM   878  O O   . GLN A 1 159 ? -10.83436 -6.21858  -19.96401 1.000 87.30063  ? 754 GLN A O   1 
ATOM   879  C CB  . GLN A 1 159 ? -7.77883  -6.17122  -20.54292 1.000 83.85530  ? 754 GLN A CB  1 
ATOM   880  C CG  . GLN A 1 159 ? -6.36713  -6.58685  -20.91890 1.000 88.37171  ? 754 GLN A CG  1 
ATOM   881  C CD  . GLN A 1 159 ? -6.25840  -7.06901  -22.35219 1.000 84.27075  ? 754 GLN A CD  1 
ATOM   882  O OE1 . GLN A 1 159 ? -6.31560  -8.26953  -22.61841 1.000 84.20310  ? 754 GLN A OE1 1 
ATOM   883  N NE2 . GLN A 1 159 ? -6.09431  -6.13373  -23.28256 1.000 85.28046  ? 754 GLN A NE2 1 
ATOM   884  N N   . ARG A 1 160 ? -9.83766  -7.16322  -18.16681 1.000 83.04468  ? 755 ARG A N   1 
ATOM   885  C CA  . ARG A 1 160 ? -10.74907 -6.57552  -17.19733 1.000 85.73221  ? 755 ARG A CA  1 
ATOM   886  C C   . ARG A 1 160 ? -10.24307 -5.19076  -16.80451 1.000 86.43672  ? 755 ARG A C   1 
ATOM   887  O O   . ARG A 1 160 ? -9.03421  -4.95901  -16.71815 1.000 85.74342  ? 755 ARG A O   1 
ATOM   888  C CB  . ARG A 1 160 ? -10.87091 -7.47828  -15.96454 1.000 87.75955  ? 755 ARG A CB  1 
ATOM   889  N N   . THR A 1 161 ? -11.17091 -4.26093  -16.59287 1.000 85.55875  ? 756 THR A N   1 
ATOM   890  C CA  . THR A 1 161 ? -10.85759 -2.91695  -16.10830 1.000 89.23236  ? 756 THR A CA  1 
ATOM   891  C C   . THR A 1 161 ? -11.30786 -2.81845  -14.65280 1.000 92.53112  ? 756 THR A C   1 
ATOM   892  O O   . THR A 1 161 ? -12.50926 -2.84268  -14.36816 1.000 92.81093  ? 756 THR A O   1 
ATOM   893  C CB  . THR A 1 161 ? -11.54403 -1.85277  -16.96700 1.000 86.45967  ? 756 THR A CB  1 
ATOM   894  O OG1 . THR A 1 161 ? -10.98861 -1.86951  -18.28959 1.000 83.69746  ? 756 THR A OG1 1 
ATOM   895  C CG2 . THR A 1 161 ? -11.37532 -0.45645  -16.35231 1.000 85.69584  ? 756 THR A CG2 1 
ATOM   896  N N   . GLU A 1 162 ? -10.35730 -2.69729  -13.73287 1.000 113.98784 ? 757 GLU A N   1 
ATOM   897  C CA  . GLU A 1 162 ? -10.71085 -2.65480  -12.32102 1.000 116.33298 ? 757 GLU A CA  1 
ATOM   898  C C   . GLU A 1 162 ? -11.13869 -1.25126  -11.90370 1.000 117.25267 ? 757 GLU A C   1 
ATOM   899  O O   . GLU A 1 162 ? -10.77524 -0.25469  -12.53312 1.000 117.97261 ? 757 GLU A O   1 
ATOM   900  C CB  . GLU A 1 162 ? -9.54023  -3.12201  -11.45481 1.000 118.03261 ? 757 GLU A CB  1 
ATOM   901  C CG  . GLU A 1 162 ? -9.42981  -4.63912  -11.35498 1.000 123.03411 ? 757 GLU A CG  1 
ATOM   902  C CD  . GLU A 1 162 ? -10.34378 -5.22917  -10.28848 1.000 127.74722 ? 757 GLU A CD  1 
ATOM   903  O OE1 . GLU A 1 162 ? -10.08099 -5.01113  -9.07934  1.000 129.63053 ? 757 GLU A OE1 1 
ATOM   904  O OE2 . GLU A 1 162 ? -11.32454 -5.91746  -10.66994 1.000 124.22287 ? 757 GLU A OE2 1 
ATOM   905  N N   . GLY A 1 163 ? -11.94077 -1.18464  -10.83938 1.000 96.38099  ? 758 GLY A N   1 
ATOM   906  C CA  . GLY A 1 163 ? -12.28893 0.07461   -10.21365 1.000 93.59331  ? 758 GLY A CA  1 
ATOM   907  C C   . GLY A 1 163 ? -13.52760 0.77710   -10.74030 1.000 91.42810  ? 758 GLY A C   1 
ATOM   908  O O   . GLY A 1 163 ? -13.91112 1.81197   -10.17772 1.000 88.54729  ? 758 GLY A O   1 
ATOM   909  N N   . VAL A 1 164 ? -14.17333 0.25176   -11.78348 1.000 81.26765  ? 759 VAL A N   1 
ATOM   910  C CA  . VAL A 1 164 ? -15.32734 0.89702   -12.41195 1.000 79.39108  ? 759 VAL A CA  1 
ATOM   911  C C   . VAL A 1 164 ? -16.63610 0.20368   -12.05579 1.000 78.08939  ? 759 VAL A C   1 
ATOM   912  O O   . VAL A 1 164 ? -17.68129 0.51153   -12.64789 1.000 75.51422  ? 759 VAL A O   1 
ATOM   913  C CB  . VAL A 1 164 ? -15.16949 0.95010   -13.94183 1.000 79.10870  ? 759 VAL A CB  1 
ATOM   914  C CG1 . VAL A 1 164 ? -14.20126 2.04837   -14.35281 1.000 78.84814  ? 759 VAL A CG1 1 
ATOM   915  C CG2 . VAL A 1 164 ? -14.70910 -0.40629  -14.46344 1.000 78.35071  ? 759 VAL A CG2 1 
ATOM   916  N N   . SER A 1 165 ? -16.60220 -0.73757  -11.11837 1.000 79.49240  ? 760 SER A N   1 
ATOM   917  C CA  . SER A 1 165 ? -17.72820 -1.62574  -10.88627 1.000 77.49347  ? 760 SER A CA  1 
ATOM   918  C C   . SER A 1 165 ? -18.85767 -0.89497  -10.17100 1.000 75.76447  ? 760 SER A C   1 
ATOM   919  O O   . SER A 1 165 ? -18.69704 0.21533   -9.65612  1.000 77.36464  ? 760 SER A O   1 
ATOM   920  C CB  . SER A 1 165 ? -17.28541 -2.85468  -10.08546 1.000 79.39539  ? 760 SER A CB  1 
ATOM   921  O OG  . SER A 1 165 ? -17.49405 -2.68091  -8.68880  1.000 77.30691  ? 760 SER A OG  1 
ATOM   922  N N   . THR A 1 166 ? -20.01401 -1.56146  -10.13411 1.000 81.16551  ? 761 THR A N   1 
ATOM   923  C CA  . THR A 1 166 ? -21.19305 -1.02884  -9.45607  1.000 83.27886  ? 761 THR A CA  1 
ATOM   924  C C   . THR A 1 166 ? -20.99111 -0.96487  -7.94449  1.000 81.85230  ? 761 THR A C   1 
ATOM   925  O O   . THR A 1 166 ? -21.34579 0.02800   -7.29604  1.000 84.64293  ? 761 THR A O   1 
ATOM   926  C CB  . THR A 1 166 ? -22.40879 -1.88896  -9.81028  1.000 82.55406  ? 761 THR A CB  1 
ATOM   927  O OG1 . THR A 1 166 ? -22.80340 -1.60997  -11.16177 1.000 78.39315  ? 761 THR A OG1 1 
ATOM   928  C CG2 . THR A 1 166 ? -23.57337 -1.63065  -8.84962  1.000 81.16012  ? 761 THR A CG2 1 
ATOM   929  N N   . THR A 1 167 ? -20.42935 -2.02197  -7.36215  1.000 70.32279  ? 762 THR A N   1 
ATOM   930  C CA  . THR A 1 167 ? -20.14747 -2.00041  -5.93128  1.000 69.92948  ? 762 THR A CA  1 
ATOM   931  C C   . THR A 1 167 ? -19.17659 -0.87205  -5.57413  1.000 70.21555  ? 762 THR A C   1 
ATOM   932  O O   . THR A 1 167 ? -19.32427 -0.22133  -4.53212  1.000 72.46116  ? 762 THR A O   1 
ATOM   933  C CB  . THR A 1 167 ? -19.62867 -3.37440  -5.49079  1.000 70.35425  ? 762 THR A CB  1 
ATOM   934  O OG1 . THR A 1 167 ? -18.60169 -3.82545  -6.38193  1.000 72.04259  ? 762 THR A OG1 1 
ATOM   935  C CG2 . THR A 1 167 ? -20.76407 -4.39509  -5.53706  1.000 68.80828  ? 762 THR A CG2 1 
ATOM   936  N N   . ASP A 1 168 ? -18.20301 -0.59825  -6.44657  1.000 77.12587  ? 763 ASP A N   1 
ATOM   937  C CA  . ASP A 1 168 ? -17.28726 0.52035   -6.22784  1.000 78.59963  ? 763 ASP A CA  1 
ATOM   938  C C   . ASP A 1 168 ? -18.02431 1.85018   -6.11901  1.000 79.71505  ? 763 ASP A C   1 
ATOM   939  O O   . ASP A 1 168 ? -17.59320 2.73973   -5.37844  1.000 82.38345  ? 763 ASP A O   1 
ATOM   940  C CB  . ASP A 1 168 ? -16.26954 0.60560   -7.36717  1.000 79.25899  ? 763 ASP A CB  1 
ATOM   941  C CG  . ASP A 1 168 ? -15.24686 -0.52718  -7.34171  1.000 80.99746  ? 763 ASP A CG  1 
ATOM   942  O OD1 . ASP A 1 168 ? -15.06682 -1.18091  -6.28427  1.000 81.19922  ? 763 ASP A OD1 1 
ATOM   943  O OD2 . ASP A 1 168 ? -14.59928 -0.74968  -8.39330  1.000 79.15117  ? 763 ASP A OD2 1 
ATOM   944  N N   . LEU A 1 169 ? -19.11893 2.01559   -6.86383  1.000 67.72713  ? 764 LEU A N   1 
ATOM   945  C CA  . LEU A 1 169 ? -19.86013 3.27471   -6.82806  1.000 69.02098  ? 764 LEU A CA  1 
ATOM   946  C C   . LEU A 1 169 ? -20.60809 3.43737   -5.51499  1.000 68.85352  ? 764 LEU A C   1 
ATOM   947  O O   . LEU A 1 169 ? -20.74494 4.55491   -5.00726  1.000 68.81203  ? 764 LEU A O   1 
ATOM   948  C CB  . LEU A 1 169 ? -20.85015 3.34389   -7.99094  1.000 65.82541  ? 764 LEU A CB  1 
ATOM   949  C CG  . LEU A 1 169 ? -20.32664 3.47819   -9.41745  1.000 66.15926  ? 764 LEU A CG  1 
ATOM   950  C CD1 . LEU A 1 169 ? -21.35274 4.26240   -10.19881 1.000 68.66712  ? 764 LEU A CD1 1 
ATOM   951  C CD2 . LEU A 1 169 ? -18.94972 4.12980   -9.50689  1.000 64.82665  ? 764 LEU A CD2 1 
ATOM   952  N N   . ILE A 1 170 ? -21.13448 2.33853   -4.97433  1.000 74.27871  ? 765 ILE A N   1 
ATOM   953  C CA  . ILE A 1 170 ? -21.82646 2.39859   -3.69116  1.000 74.63245  ? 765 ILE A CA  1 
ATOM   954  C C   . ILE A 1 170 ? -20.84748 2.78022   -2.59020  1.000 75.50882  ? 765 ILE A C   1 
ATOM   955  O O   . ILE A 1 170 ? -21.18042 3.53789   -1.67275  1.000 76.43547  ? 765 ILE A O   1 
ATOM   956  C CB  . ILE A 1 170 ? -22.52079 1.05502   -3.40681  1.000 74.53001  ? 765 ILE A CB  1 
ATOM   957  C CG1 . ILE A 1 170 ? -23.64752 0.80348   -4.41306  1.000 73.45827  ? 765 ILE A CG1 1 
ATOM   958  C CG2 . ILE A 1 170 ? -23.10299 1.03587   -2.01023  1.000 72.74081  ? 765 ILE A CG2 1 
ATOM   959  C CD1 . ILE A 1 170 ? -24.32044 2.05670   -4.94198  1.000 74.25705  ? 765 ILE A CD1 1 
ATOM   960  N N   . VAL A 1 171 ? -19.61334 2.28535   -2.68335  1.000 76.36137  ? 766 VAL A N   1 
ATOM   961  C CA  . VAL A 1 171 ? -18.57077 2.68783   -1.74351  1.000 79.43116  ? 766 VAL A CA  1 
ATOM   962  C C   . VAL A 1 171 ? -18.34612 4.19394   -1.80905  1.000 81.24512  ? 766 VAL A C   1 
ATOM   963  O O   . VAL A 1 171 ? -18.20891 4.86475   -0.77803  1.000 82.43384  ? 766 VAL A O   1 
ATOM   964  C CB  . VAL A 1 171 ? -17.27862 1.90434   -2.03944  1.000 80.66687  ? 766 VAL A CB  1 
ATOM   965  C CG1 . VAL A 1 171 ? -16.08323 2.53632   -1.33070  1.000 79.81140  ? 766 VAL A CG1 1 
ATOM   966  C CG2 . VAL A 1 171 ? -17.46104 0.43996   -1.65097  1.000 75.16595  ? 766 VAL A CG2 1 
ATOM   967  N N   . ARG A 1 172 ? -18.32501 4.74885   -3.02578  1.000 66.14770  ? 767 ARG A N   1 
ATOM   968  C CA  . ARG A 1 172 ? -18.11966 6.18517   -3.20572  1.000 68.92144  ? 767 ARG A CA  1 
ATOM   969  C C   . ARG A 1 172 ? -19.22304 6.99834   -2.52681  1.000 69.13669  ? 767 ARG A C   1 
ATOM   970  O O   . ARG A 1 172 ? -18.94739 8.00693   -1.86848  1.000 73.96585  ? 767 ARG A O   1 
ATOM   971  C CB  . ARG A 1 172 ? -18.03542 6.49873   -4.70666  1.000 64.57661  ? 767 ARG A CB  1 
ATOM   972  C CG  . ARG A 1 172 ? -17.40488 7.82525   -5.05926  1.000 65.29680  ? 767 ARG A CG  1 
ATOM   973  C CD  . ARG A 1 172 ? -17.54550 8.12954   -6.54572  1.000 66.12847  ? 767 ARG A CD  1 
ATOM   974  N NE  . ARG A 1 172 ? -16.63403 7.34418   -7.37417  1.000 60.57721  ? 767 ARG A NE  1 
ATOM   975  C CZ  . ARG A 1 172 ? -16.51350 7.48997   -8.68861  1.000 64.92135  ? 767 ARG A CZ  1 
ATOM   976  N NH1 . ARG A 1 172 ? -17.25783 8.35474   -9.36099  1.000 65.13290  ? 767 ARG A NH1 1 
ATOM   977  N NH2 . ARG A 1 172 ? -15.61042 6.76700   -9.34566  1.000 64.57887  ? 767 ARG A NH2 1 
ATOM   978  N N   . ILE A 1 173 ? -20.47710 6.56793   -2.67076  1.000 60.23128  ? 768 ILE A N   1 
ATOM   979  C CA  . ILE A 1 173 ? -21.58972 7.23923   -2.00718  1.000 61.16339  ? 768 ILE A CA  1 
ATOM   980  C C   . ILE A 1 173 ? -21.39002 7.21943   -0.49937  1.000 68.09412  ? 768 ILE A C   1 
ATOM   981  O O   . ILE A 1 173 ? -21.65359 8.21198   0.19324   1.000 71.35181  ? 768 ILE A O   1 
ATOM   982  C CB  . ILE A 1 173 ? -22.91405 6.56221   -2.40918  1.000 62.20394  ? 768 ILE A CB  1 
ATOM   983  C CG1 . ILE A 1 173 ? -23.07582 6.58297   -3.94256  1.000 58.88312  ? 768 ILE A CG1 1 
ATOM   984  C CG2 . ILE A 1 173 ? -24.10785 7.16612   -1.64105  1.000 59.77438  ? 768 ILE A CG2 1 
ATOM   985  C CD1 . ILE A 1 173 ? -24.34285 5.93630   -4.44094  1.000 56.20357  ? 768 ILE A CD1 1 
ATOM   986  N N   . LEU A 1 174 ? -20.89770 6.09299   0.02619   1.000 73.17374  ? 769 LEU A N   1 
ATOM   987  C CA  . LEU A 1 174 ? -20.76831 5.92130   1.46744   1.000 76.76634  ? 769 LEU A CA  1 
ATOM   988  C C   . LEU A 1 174 ? -19.63262 6.75817   2.04774   1.000 78.53576  ? 769 LEU A C   1 
ATOM   989  O O   . LEU A 1 174 ? -19.71783 7.18449   3.20176   1.000 81.39589  ? 769 LEU A O   1 
ATOM   990  C CB  . LEU A 1 174 ? -20.58172 4.43845   1.77931   1.000 73.16823  ? 769 LEU A CB  1 
ATOM   991  C CG  . LEU A 1 174 ? -21.84901 3.61463   1.54808   1.000 70.83533  ? 769 LEU A CG  1 
ATOM   992  C CD1 . LEU A 1 174 ? -21.69922 2.21166   2.09179   1.000 72.13680  ? 769 LEU A CD1 1 
ATOM   993  C CD2 . LEU A 1 174 ? -23.02648 4.30621   2.22157   1.000 71.10755  ? 769 LEU A CD2 1 
ATOM   994  N N   . LYS A 1 175 ? -18.58420 7.03487   1.26563   1.000 89.05558  ? 770 LYS A N   1 
ATOM   995  C CA  . LYS A 1 175 ? -17.49633 7.87275   1.76115   1.000 90.88271  ? 770 LYS A CA  1 
ATOM   996  C C   . LYS A 1 175 ? -17.97242 9.26108   2.18639   1.000 96.00309  ? 770 LYS A C   1 
ATOM   997  O O   . LYS A 1 175 ? -17.24659 9.95429   2.90672   1.000 99.08971  ? 770 LYS A O   1 
ATOM   998  C CB  . LYS A 1 175 ? -16.39877 7.99898   0.70324   1.000 89.96318  ? 770 LYS A CB  1 
ATOM   999  N N   . ASN A 1 176 ? -19.18125 9.67295   1.78390   1.000 80.77484  ? 771 ASN A N   1 
ATOM   1000 C CA  . ASN A 1 176 ? -19.74873 10.96809  2.16342   1.000 85.20058  ? 771 ASN A CA  1 
ATOM   1001 C C   . ASN A 1 176 ? -20.14963 11.03801  3.63602   1.000 90.03765  ? 771 ASN A C   1 
ATOM   1002 O O   . ASN A 1 176 ? -20.55171 12.10970  4.11091   1.000 89.90674  ? 771 ASN A O   1 
ATOM   1003 C CB  . ASN A 1 176 ? -20.97984 11.26414  1.30739   1.000 88.05700  ? 771 ASN A CB  1 
ATOM   1004 C CG  . ASN A 1 176 ? -20.69166 12.23319  0.17988   1.000 94.65989  ? 771 ASN A CG  1 
ATOM   1005 O OD1 . ASN A 1 176 ? -20.47685 13.42636  0.40180   1.000 100.84677 ? 771 ASN A OD1 1 
ATOM   1006 N ND2 . ASN A 1 176 ? -20.70818 11.72299  -1.04436  1.000 89.20370  ? 771 ASN A ND2 1 
ATOM   1007 N N   . TYR A 1 177 ? -20.07350 9.92590   4.35883   1.000 83.97655  ? 772 TYR A N   1 
ATOM   1008 C CA  . TYR A 1 177 ? -20.56522 9.83750   5.72517   1.000 87.02331  ? 772 TYR A CA  1 
ATOM   1009 C C   . TYR A 1 177 ? -19.37778 9.44494   6.59223   1.000 90.43817  ? 772 TYR A C   1 
ATOM   1010 O O   . TYR A 1 177 ? -19.03095 8.26424   6.70315   1.000 88.87946  ? 772 TYR A O   1 
ATOM   1011 C CB  . TYR A 1 177 ? -21.74352 8.86860   5.82066   1.000 82.77293  ? 772 TYR A CB  1 
ATOM   1012 C CG  . TYR A 1 177 ? -22.92011 9.34261   4.98181   1.000 82.88307  ? 772 TYR A CG  1 
ATOM   1013 C CD1 . TYR A 1 177 ? -22.95515 9.12560   3.60291   1.000 77.63700  ? 772 TYR A CD1 1 
ATOM   1014 C CD2 . TYR A 1 177 ? -23.97040 10.05182  5.55725   1.000 83.63384  ? 772 TYR A CD2 1 
ATOM   1015 C CE1 . TYR A 1 177 ? -24.01987 9.57477   2.82721   1.000 79.95433  ? 772 TYR A CE1 1 
ATOM   1016 C CE2 . TYR A 1 177 ? -25.03955 10.51044  4.78511   1.000 81.46269  ? 772 TYR A CE2 1 
ATOM   1017 C CZ  . TYR A 1 177 ? -25.05765 10.26789  3.42031   1.000 78.65757  ? 772 TYR A CZ  1 
ATOM   1018 O OH  . TYR A 1 177 ? -26.11422 10.71062  2.64922   1.000 79.25301  ? 772 TYR A OH  1 
ATOM   1019 N N   . GLU A 1 178 ? -18.74357 10.46875  7.15676   1.000 130.54638 ? 773 GLU A N   1 
ATOM   1020 C CA  . GLU A 1 178 ? -17.59996 10.28253  8.02868   1.000 132.55556 ? 773 GLU A CA  1 
ATOM   1021 C C   . GLU A 1 178 ? -17.94056 9.30039   9.13247   1.000 136.08779 ? 773 GLU A C   1 
ATOM   1022 O O   . GLU A 1 178 ? -19.01912 9.36835   9.73015   1.000 134.93793 ? 773 GLU A O   1 
ATOM   1023 C CB  . GLU A 1 178 ? -17.18420 11.61998  8.63424   1.000 136.40140 ? 773 GLU A CB  1 
ATOM   1024 C CG  . GLU A 1 178 ? -16.37973 12.48044  7.70308   1.000 135.11983 ? 773 GLU A CG  1 
ATOM   1025 C CD  . GLU A 1 178 ? -15.09027 12.93583  8.33668   1.000 141.95478 ? 773 GLU A CD  1 
ATOM   1026 O OE1 . GLU A 1 178 ? -15.08585 13.22785  9.55561   1.000 148.02404 ? 773 GLU A OE1 1 
ATOM   1027 O OE2 . GLU A 1 178 ? -14.07678 12.98951  7.61199   1.000 142.11567 ? 773 GLU A OE2 1 
ATOM   1028 N N   . ASP A 1 179 ? -17.01390 8.38053   9.39712   1.000 123.18183 ? 774 ASP A N   1 
ATOM   1029 C CA  . ASP A 1 179 ? -17.19899 7.44962   10.50320  1.000 123.41240 ? 774 ASP A CA  1 
ATOM   1030 C C   . ASP A 1 179 ? -17.50247 8.19363   11.80293  1.000 126.38476 ? 774 ASP A C   1 
ATOM   1031 O O   . ASP A 1 179 ? -18.29530 7.72381   12.62415  1.000 125.64537 ? 774 ASP A O   1 
ATOM   1032 C CB  . ASP A 1 179 ? -15.95860 6.56026   10.65546  1.000 122.17302 ? 774 ASP A CB  1 
ATOM   1033 C CG  . ASP A 1 179 ? -15.54519 5.88491   9.34809   1.000 121.20898 ? 774 ASP A CG  1 
ATOM   1034 O OD1 . ASP A 1 179 ? -16.35051 5.86951   8.37650   1.000 117.94761 ? 774 ASP A OD1 1 
ATOM   1035 O OD2 . ASP A 1 179 ? -14.40679 5.36082   9.30814   1.000 120.65691 ? 774 ASP A OD2 1 
ATOM   1036 N N   . TYR A 1 180 ? -16.90882 9.36941   11.99351  1.000 116.86508 ? 775 TYR A N   1 
ATOM   1037 C CA  . TYR A 1 180 ? -17.13459 10.14675  13.21479  1.000 122.96261 ? 775 TYR A CA  1 
ATOM   1038 C C   . TYR A 1 180 ? -17.61757 11.56029  12.90862  1.000 126.39226 ? 775 TYR A C   1 
ATOM   1039 O O   . TYR A 1 180 ? -18.34864 12.15688  13.69795  1.000 131.12776 ? 775 TYR A O   1 
ATOM   1040 C CB  . TYR A 1 180 ? -15.85879 10.20153  14.05523  1.000 129.71950 ? 775 TYR A CB  1 
ATOM   1041 C CG  . TYR A 1 180 ? -15.36512 8.84245   14.48743  1.000 127.49559 ? 775 TYR A CG  1 
ATOM   1042 C CD1 . TYR A 1 180 ? -14.61121 8.05121   13.63005  1.000 122.56336 ? 775 TYR A CD1 1 
ATOM   1043 C CD2 . TYR A 1 180 ? -15.65131 8.35097   15.75487  1.000 130.84247 ? 775 TYR A CD2 1 
ATOM   1044 C CE1 . TYR A 1 180 ? -14.16101 6.80849   14.01459  1.000 121.02056 ? 775 TYR A CE1 1 
ATOM   1045 C CE2 . TYR A 1 180 ? -15.20108 7.10629   16.15430  1.000 129.20806 ? 775 TYR A CE2 1 
ATOM   1046 C CZ  . TYR A 1 180 ? -14.45916 6.33685   15.27484  1.000 124.27462 ? 775 TYR A CZ  1 
ATOM   1047 O OH  . TYR A 1 180 ? -14.00530 5.09622   15.66576  1.000 123.14451 ? 775 TYR A OH  1 
ATOM   1048 O OXT . TYR A 1 180 ? -17.30090 12.13165  11.86264  1.000 124.86021 ? 775 TYR A OXT 1 
HETATM 1049 C C4  . AEF B 2 .   ? -17.24169 -16.85577 -14.97092 1.000 84.10050  ? 801 AEF A C4  1 
HETATM 1050 C C5  . AEF B 2 .   ? -18.41028 -18.16884 -18.48105 1.000 65.70050  ? 801 AEF A C5  1 
HETATM 1051 C C6  . AEF B 2 .   ? -19.20821 -19.75424 -16.79805 1.000 67.29050  ? 801 AEF A C6  1 
HETATM 1052 C C7  . AEF B 2 .   ? -17.91969 -15.41914 -14.79573 1.000 85.77050  ? 801 AEF A C7  1 
HETATM 1053 C C8  . AEF B 2 .   ? -19.07391 -19.30846 -18.10864 1.000 67.72050  ? 801 AEF A C8  1 
HETATM 1054 O O10 . AEF B 2 .   ? -19.67856 -20.11586 -19.16728 1.000 71.44050  ? 801 AEF A O10 1 
HETATM 1055 C C3  . AEF B 2 .   ? -18.59862 -18.93847 -15.77079 1.000 72.24050  ? 801 AEF A C3  1 
HETATM 1056 C C2  . AEF B 2 .   ? -17.81364 -17.36540 -17.45772 1.000 72.92050  ? 801 AEF A C2  1 
HETATM 1057 C C1  . AEF B 2 .   ? -17.89749 -17.73689 -16.08113 1.000 76.13050  ? 801 AEF A C1  1 
HETATM 1058 N N9  . AEF B 2 .   ? -17.51368 -14.39072 -15.82685 1.000 84.06050  ? 801 AEF A N9  1 
HETATM 1059 O O   . HOH C 3 .   ? -17.49131 -10.14496 -21.73232 1.000 57.26050  ? 901 HOH A O   1 
HETATM 1060 O O   . HOH C 3 .   ? -20.86077 -20.56036 -22.87326 1.000 59.07050  ? 902 HOH A O   1 
HETATM 1061 O O   . HOH C 3 .   ? -13.33651 2.38106   -24.97366 1.000 58.34050  ? 903 HOH A O   1 
HETATM 1062 O O   . HOH C 3 .   ? -9.66225  -7.58679  -39.39069 1.000 58.23050  ? 904 HOH A O   1 
HETATM 1063 O O   . HOH C 3 .   ? -25.15132 -21.25436 -17.83986 1.000 53.31050  ? 905 HOH A O   1 
HETATM 1064 O O   . HOH C 3 .   ? -19.48835 1.52275   -14.33703 1.000 30.07050  ? 906 HOH A O   1 
HETATM 1065 O O   . HOH C 3 .   ? -24.60492 -25.91097 -19.11093 1.000 56.04050  ? 907 HOH A O   1 
HETATM 1066 O O   . HOH C 3 .   ? -26.56493 -7.29860  -17.91845 1.000 30.07050  ? 908 HOH A O   1 
HETATM 1067 O O   . HOH C 3 .   ? -21.39893 -25.61778 -24.79136 1.000 64.86050  ? 909 HOH A O   1 
HETATM 1068 O O   . HOH C 3 .   ? -9.79147  -5.59079  -29.63736 1.000 49.09050  ? 910 HOH A O   1 
HETATM 1069 O O   . HOH C 3 .   ? -22.39731 -4.07883  -32.92747 1.000 50.73050  ? 911 HOH A O   1 
HETATM 1070 O O   . HOH C 3 .   ? -27.25683 -5.54725  -15.74866 1.000 43.62050  ? 912 HOH A O   1 
HETATM 1071 O O   . HOH C 3 .   ? -5.80585  -17.38764 -32.88622 1.000 52.98050  ? 913 HOH A O   1 
HETATM 1072 O O   . HOH C 3 .   ? -12.79604 -4.14536  -19.03555 1.000 67.28050  ? 914 HOH A O   1 
HETATM 1073 O O   . HOH C 3 .   ? -33.51919 -15.55578 -21.70429 1.000 61.30050  ? 915 HOH A O   1 
HETATM 1074 O O   . HOH C 3 .   ? -12.61564 -1.32721  -24.86241 1.000 56.92050  ? 916 HOH A O   1 
HETATM 1075 O O   . HOH C 3 .   ? -35.41736 -3.19294  -22.61104 1.000 54.98050  ? 917 HOH A O   1 
HETATM 1076 O O   . HOH C 3 .   ? -21.21906 -4.70230  -36.95741 1.000 56.54050  ? 918 HOH A O   1 
HETATM 1077 O O   . HOH C 3 .   ? -31.81417 -18.87344 -15.20212 1.000 55.21050  ? 919 HOH A O   1 
HETATM 1078 O O   . HOH C 3 .   ? -19.71628 11.25644  16.06690  1.000 59.27050  ? 920 HOH A O   1 
HETATM 1079 O O   . HOH C 3 .   ? -35.34235 -14.86212 -15.91343 1.000 58.08050  ? 921 HOH A O   1 
HETATM 1080 O O   . HOH C 3 .   ? -21.14994 -6.55799  -11.15387 1.000 61.71050  ? 922 HOH A O   1 
HETATM 1081 O O   . HOH C 3 .   ? -30.88035 -20.04992 -24.80234 1.000 60.04050  ? 923 HOH A O   1 
HETATM 1082 O O   . HOH C 3 .   ? -8.80936  -28.39783 -29.55383 1.000 60.76050  ? 924 HOH A O   1 
HETATM 1083 O O   . HOH C 3 .   ? -22.47035 -26.95327 -19.54683 1.000 59.45050  ? 925 HOH A O   1 
HETATM 1084 O O   . HOH C 3 .   ? -20.84870 -10.02957 -13.47083 1.000 64.23050  ? 926 HOH A O   1 
HETATM 1085 O O   . HOH C 3 .   ? -16.63809 3.06873   -31.91556 1.000 55.80050  ? 927 HOH A O   1 
HETATM 1086 O O   . HOH C 3 .   ? -20.46201 -24.92481 -39.25118 1.000 74.99050  ? 928 HOH A O   1 
HETATM 1087 O O   . HOH C 3 .   ? -20.48486 -4.95752  -9.27434  1.000 68.40050  ? 929 HOH A O   1 
HETATM 1088 O O   . HOH C 3 .   ? -23.34823 -27.12334 -25.47892 1.000 66.33050  ? 930 HOH A O   1 
HETATM 1089 O O   . HOH C 3 .   ? -10.08972 -2.72886  -29.13145 1.000 54.73050  ? 931 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  ? 1.40820 1.25988 0.67411 0.00870  0.18801  -0.11780 616 LYS A N   
2    C CA  . LYS A 39  ? 1.37473 1.21457 0.70491 0.01019  0.21173  -0.08367 616 LYS A CA  
3    C C   . LYS A 39  ? 1.29793 1.16236 0.72028 0.01774  0.17146  -0.06918 616 LYS A C   
4    O O   . LYS A 39  ? 1.27585 1.13914 0.76927 0.01782  0.18445  -0.05040 616 LYS A O   
5    C CB  . LYS A 39  ? 1.41560 1.21951 0.65804 0.01591  0.22836  -0.04091 616 LYS A CB  
6    C CG  . LYS A 39  ? 1.47264 1.24630 0.71251 0.00227  0.29908  -0.03886 616 LYS A CG  
7    C CD  . LYS A 39  ? 1.49641 1.22975 0.68462 0.00612  0.31834  0.01014  616 LYS A CD  
8    C CE  . LYS A 39  ? 1.40128 1.14984 0.68254 0.01378  0.28879  0.03590  616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.31615 1.09317 0.73358 0.00353  0.30601  0.01631  616 LYS A NZ  
10   N N   . ASN A 40  ? 1.24895 1.13722 0.67211 0.02230  0.12467  -0.08177 617 ASN A N   
11   C CA  . ASN A 40  ? 1.20013 1.10790 0.69396 0.02856  0.08938  -0.06654 617 ASN A CA  
12   C C   . ASN A 40  ? 1.14948 1.06798 0.73835 0.02112  0.09444  -0.08846 617 ASN A C   
13   O O   . ASN A 40  ? 1.16532 1.09024 0.76405 0.01345  0.09396  -0.12408 617 ASN A O   
14   C CB  . ASN A 40  ? 1.17678 1.10696 0.63595 0.03690  0.03965  -0.06930 617 ASN A CB  
15   C CG  . ASN A 40  ? 1.13406 1.08001 0.65668 0.04409  0.01050  -0.04825 617 ASN A CG  
16   O OD1 . ASN A 40  ? 1.08399 1.04651 0.67458 0.03709  0.00079  -0.06511 617 ASN A OD1 
17   N ND2 . ASN A 40  ? 1.13394 1.06895 0.63158 0.05761  0.00116  -0.01121 617 ASN A ND2 
18   N N   . VAL A 41  ? 0.88357 0.80122 0.53923 0.02424  0.09739  -0.06687 618 VAL A N   
19   C CA  . VAL A 41  ? 0.86985 0.78974 0.60777 0.02251  0.10272  -0.07771 618 VAL A CA  
20   C C   . VAL A 41  ? 0.80947 0.73956 0.58024 0.02460  0.06925  -0.06859 618 VAL A C   
21   O O   . VAL A 41  ? 0.76897 0.70428 0.53958 0.02961  0.05286  -0.04311 618 VAL A O   
22   C CB  . VAL A 41  ? 0.84043 0.75604 0.62809 0.02541  0.12729  -0.06386 618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.77680 0.69393 0.64214 0.02952  0.12810  -0.07455 618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.89435 0.79909 0.64859 0.02009  0.16858  -0.07251 618 VAL A CG2 
25   N N   . VAL A 42  ? 0.77213 0.70087 0.57253 0.01931  0.06432  -0.09069 619 VAL A N   
26   C CA  . VAL A 42  ? 0.73898 0.67144 0.57055 0.01759  0.04226  -0.08442 619 VAL A CA  
27   C C   . VAL A 42  ? 0.71183 0.63038 0.59290 0.02416  0.04646  -0.06452 619 VAL A C   
28   O O   . VAL A 42  ? 0.69899 0.60154 0.61269 0.02762  0.06207  -0.07234 619 VAL A O   
29   C CB  . VAL A 42  ? 0.74171 0.67290 0.58371 0.00588  0.04044  -0.11747 619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.69304 0.62445 0.56794 0.00081  0.02629  -0.11056 619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.70782 0.65970 0.49900 0.00060  0.02968  -0.14239 619 VAL A CG2 
32   N N   . ILE A 43  ? 0.69351 0.61824 0.57977 0.02773  0.03077  -0.04034 620 ILE A N   
33   C CA  . ILE A 43  ? 0.69480 0.60985 0.61547 0.03457  0.02767  -0.02210 620 ILE A CA  
34   C C   . ILE A 43  ? 0.69403 0.59897 0.61962 0.02964  0.01637  -0.01715 620 ILE A C   
35   O O   . ILE A 43  ? 0.67176 0.58933 0.58336 0.02224  0.00723  -0.02040 620 ILE A O   
36   C CB  . ILE A 43  ? 0.68318 0.61077 0.60487 0.03953  0.02348  -0.00289 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.70927 0.64210 0.62506 0.04037  0.04362  -0.00737 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.64323 0.56684 0.59773 0.04674  0.01418  0.00995  620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.72524 0.65701 0.68597 0.04612  0.05922  -0.01613 620 ILE A CD1 
40   N N   . TYR A 44  ? 0.71070 0.59162 0.65637 0.03495  0.01796  -0.00850 621 TYR A N   
41   C CA  . TYR A 44  ? 0.72887 0.58947 0.67015 0.02903  0.01511  -0.00005 621 TYR A CA  
42   C C   . TYR A 44  ? 0.70355 0.55447 0.64177 0.03989  0.00344  0.02463  621 TYR A C   
43   O O   . TYR A 44  ? 0.68451 0.52852 0.63935 0.05497  -0.00120 0.03237  621 TYR A O   
44   C CB  . TYR A 44  ? 0.72232 0.54805 0.67577 0.02420  0.03086  -0.01096 621 TYR A CB  
45   C CG  . TYR A 44  ? 0.71230 0.50737 0.65735 0.01497  0.03727  -0.00063 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.70526 0.51462 0.64994 -0.00401 0.04187  -0.01506 621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.73054 0.48134 0.66779 0.02616  0.03986  0.02355  621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.71781 0.49721 0.65762 -0.01620 0.05670  -0.00795 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.71591 0.42872 0.63276 0.01621  0.05262  0.03626  621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.73380 0.46049 0.65364 -0.00737 0.06511  0.01910  621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.74246 0.43043 0.64481 -0.02106 0.08630  0.02926  621 TYR A OH  
52   N N   . ALA A 45  ? 0.73762 0.59073 0.65712 0.03282  -0.00217 0.03340  622 ALA A N   
53   C CA  . ALA A 45  ? 0.72593 0.56760 0.62891 0.03987  -0.01351 0.05282  622 ALA A CA  
54   C C   . ALA A 45  ? 0.74404 0.55667 0.62048 0.02817  -0.00240 0.05888  622 ALA A C   
55   O O   . ALA A 45  ? 0.76772 0.58990 0.65002 0.01238  0.00971  0.04482  622 ALA A O   
56   C CB  . ALA A 45  ? 0.68358 0.55766 0.58799 0.04040  -0.02536 0.05331  622 ALA A CB  
57   N N   . ASP A 46  ? 0.81623 0.59346 0.66335 0.03615  -0.00576 0.07907  623 ASP A N   
58   C CA  . ASP A 46  ? 0.84385 0.58550 0.65595 0.02267  0.01276  0.08697  623 ASP A CA  
59   C C   . ASP A 46  ? 0.87674 0.60638 0.63991 0.02924  -0.00004 0.10509  623 ASP A C   
60   O O   . ASP A 46  ? 0.87000 0.61708 0.63129 0.04621  -0.02747 0.11133  623 ASP A O   
61   C CB  . ASP A 46  ? 0.88267 0.57012 0.69012 0.02088  0.03394  0.09476  623 ASP A CB  
62   C CG  . ASP A 46  ? 0.92451 0.57550 0.71694 0.04737  0.01858  0.11974  623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.91270 0.57701 0.68709 0.06581  -0.01008 0.13341  623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.93032 0.53816 0.73327 0.05055  0.03473  0.12407  623 ASP A OD2 
65   N N   . GLY A 47  ? 0.83967 0.54127 0.56440 0.01380  0.02175  0.10947  624 GLY A N   
66   C CA  . GLY A 47  ? 0.86937 0.55993 0.53689 0.01606  0.01353  0.12117  624 GLY A CA  
67   C C   . GLY A 47  ? 0.90782 0.57589 0.54496 -0.00771 0.04919  0.11635  624 GLY A C   
68   O O   . GLY A 47  ? 0.86660 0.53368 0.53816 -0.02633 0.07874  0.10196  624 GLY A O   
69   N N   . VAL A 48  ? 0.93563 0.58627 0.50764 -0.00768 0.04702  0.12549  625 VAL A N   
70   C CA  . VAL A 48  ? 0.94181 0.57321 0.48189 -0.03158 0.08569  0.11723  625 VAL A CA  
71   C C   . VAL A 48  ? 0.89713 0.58701 0.49229 -0.04327 0.08885  0.08472  625 VAL A C   
72   O O   . VAL A 48  ? 0.88218 0.58161 0.51301 -0.06309 0.12175  0.06550  625 VAL A O   
73   C CB  . VAL A 48  ? 1.00725 0.59064 0.44190 -0.02720 0.08519  0.13903  625 VAL A CB  
74   C CG1 . VAL A 48  ? 1.04860 0.60463 0.44507 -0.05525 0.13624  0.12934  625 VAL A CG1 
75   C CG2 . VAL A 48  ? 1.06495 0.58413 0.44126 -0.00794 0.07610  0.17810  625 VAL A CG2 
76   N N   . TYR A 49  ? 0.86020 0.58929 0.46963 -0.03053 0.05570  0.07703  626 TYR A N   
77   C CA  . TYR A 49  ? 0.84255 0.61707 0.49904 -0.03775 0.05807  0.05030  626 TYR A CA  
78   C C   . TYR A 49  ? 0.89543 0.65694 0.52365 -0.05705 0.09311  0.03535  626 TYR A C   
79   O O   . TYR A 49  ? 0.85494 0.64447 0.53857 -0.06736 0.11271  0.01220  626 TYR A O   
80   C CB  . TYR A 49  ? 0.77291 0.58366 0.50994 -0.03788 0.05870  0.03775  626 TYR A CB  
81   C CG  . TYR A 49  ? 0.77024 0.59085 0.52853 -0.02153 0.03154  0.04901  626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.75181 0.59888 0.52705 -0.00851 0.00479  0.04829  626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.77435 0.57528 0.53919 -0.02119 0.03781  0.05722  626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.72236 0.57887 0.52057 0.00453  -0.01308 0.05554  626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.72714 0.53648 0.51302 -0.00673 0.01765  0.06333  626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.70428 0.54240 0.50589 0.00613  -0.00678 0.06265  626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.67705 0.52389 0.50223 0.01845  -0.01998 0.06577  626 TYR A OH  
88   N N   . ASP A 50  ? 0.91825 0.63664 0.45750 -0.06018 0.10070  0.04810  627 ASP A N   
89   C CA  . ASP A 50  ? 0.96563 0.66965 0.46398 -0.07875 0.13513  0.03134  627 ASP A CA  
90   C C   . ASP A 50  ? 0.97829 0.71995 0.49361 -0.07577 0.11679  0.00645  627 ASP A C   
91   O O   . ASP A 50  ? 0.96771 0.72594 0.47853 -0.06014 0.07568  0.01054  627 ASP A O   
92   C CB  . ASP A 50  ? 1.03258 0.67222 0.41172 -0.08141 0.14727  0.05552  627 ASP A CB  
93   C CG  . ASP A 50  ? 1.10453 0.71454 0.43858 -0.10766 0.20356  0.04077  627 ASP A CG  
94   O OD1 . ASP A 50  ? 1.08806 0.72843 0.50223 -0.12390 0.23636  0.01258  627 ASP A OD1 
95   O OD2 . ASP A 50  ? 1.18847 0.74453 0.40565 -0.11107 0.21551  0.05698  627 ASP A OD2 
96   N N   . MET A 51  ? 0.98201 0.73813 0.52780 -0.09134 0.14984  -0.02255 628 MET A N   
97   C CA  . MET A 51  ? 0.95735 0.74188 0.52624 -0.09151 0.14283  -0.05104 628 MET A CA  
98   C C   . MET A 51  ? 0.91900 0.73995 0.54787 -0.07338 0.10007  -0.04926 628 MET A C   
99   O O   . MET A 51  ? 0.91687 0.74429 0.52220 -0.06772 0.07241  -0.05440 628 MET A O   
100  C CB  . MET A 51  ? 1.01407 0.77041 0.48061 -0.09911 0.14481  -0.05893 628 MET A CB  
101  C CG  . MET A 51  ? 1.07434 0.78398 0.46182 -0.11842 0.19295  -0.05727 628 MET A CG  
102  S SD  . MET A 51  ? 1.29900 0.97802 0.55958 -0.13034 0.20248  -0.07665 628 MET A SD  
103  C CE  . MET A 51  ? 1.30419 0.95149 0.45382 -0.10831 0.14652  -0.03505 628 MET A CE  
104  N N   . LEU A 52  ? 0.78274 0.62790 0.48984 -0.06559 0.09648  -0.04403 629 LEU A N   
105  C CA  . LEU A 52  ? 0.72596 0.59593 0.47900 -0.04932 0.06264  -0.03546 629 LEU A CA  
106  C C   . LEU A 52  ? 0.71787 0.60210 0.48785 -0.04814 0.05189  -0.05437 629 LEU A C   
107  O O   . LEU A 52  ? 0.69328 0.58288 0.49245 -0.05452 0.07288  -0.07706 629 LEU A O   
108  C CB  . LEU A 52  ? 0.69145 0.58444 0.51798 -0.04272 0.06599  -0.03366 629 LEU A CB  
109  C CG  . LEU A 52  ? 0.68389 0.59206 0.53974 -0.02735 0.03792  -0.01757 629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.69631 0.58948 0.52069 -0.02489 0.02853  0.00189  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.64417 0.57581 0.56287 -0.01897 0.03880  -0.02027 629 LEU A CD2 
112  N N   . HIS A 53  ? 0.77355 0.66503 0.53602 -0.04025 0.02125  -0.04810 630 HIS A N   
113  C CA  . HIS A 53  ? 0.80058 0.70584 0.58616 -0.04262 0.01178  -0.06978 630 HIS A CA  
114  C C   . HIS A 53  ? 0.79659 0.71990 0.63325 -0.03200 -0.00875 -0.05943 630 HIS A C   
115  O O   . HIS A 53  ? 0.73636 0.66203 0.58518 -0.02203 -0.01583 -0.03673 630 HIS A O   
116  C CB  . HIS A 53  ? 0.87984 0.77918 0.59885 -0.04964 -0.00314 -0.08500 630 HIS A CB  
117  C CG  . HIS A 53  ? 0.91348 0.80730 0.58292 -0.03859 -0.03320 -0.06168 630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.90392 0.82036 0.60656 -0.02677 -0.06555 -0.05568 630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.95808 0.82275 0.55170 -0.03595 -0.03330 -0.04168 630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.95190 0.85696 0.60659 -0.01425 -0.08823 -0.03376 630 HIS A CE1 
121  N NE2 . HIS A 53  ? 1.01309 0.88255 0.59648 -0.01903 -0.06962 -0.02247 630 HIS A NE2 
122  N N   . LEU A 54  ? 0.73478 0.66914 0.60166 -0.03682 -0.01420 -0.07999 631 LEU A N   
123  C CA  . LEU A 54  ? 0.69492 0.64203 0.61694 -0.03145 -0.02200 -0.07412 631 LEU A CA  
124  C C   . LEU A 54  ? 0.70595 0.66665 0.61964 -0.02271 -0.04797 -0.05917 631 LEU A C   
125  O O   . LEU A 54  ? 0.68792 0.65472 0.63893 -0.01608 -0.04711 -0.04541 631 LEU A O   
126  C CB  . LEU A 54  ? 0.68033 0.63316 0.63924 -0.04324 -0.01754 -0.10455 631 LEU A CB  
127  C CG  . LEU A 54  ? 0.66878 0.63060 0.68759 -0.04388 -0.01746 -0.10438 631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.64776 0.59013 0.69514 -0.03437 0.00426  -0.07881 631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.65595 0.62095 0.71005 -0.06056 -0.01017 -0.14188 631 LEU A CD2 
130  N N   . GLY A 55  ? 0.72224 0.68471 0.58468 -0.02071 -0.06992 -0.06057 632 GLY A N   
131  C CA  . GLY A 55  ? 0.76055 0.73367 0.61975 -0.00723 -0.09614 -0.04479 632 GLY A CA  
132  C C   . GLY A 55  ? 0.73861 0.69680 0.59552 0.00274  -0.08630 -0.01581 632 GLY A C   
133  O O   . GLY A 55  ? 0.68242 0.65200 0.57366 0.01175  -0.09323 -0.00654 632 GLY A O   
134  N N   . HIS A 56  ? 0.77862 0.71282 0.59949 -0.00066 -0.06753 -0.00583 633 HIS A N   
135  C CA  . HIS A 56  ? 0.74200 0.66534 0.56922 0.00486  -0.05622 0.01387  633 HIS A CA  
136  C C   . HIS A 56  ? 0.70214 0.63974 0.58296 0.00658  -0.04651 0.01419  633 HIS A C   
137  O O   . HIS A 56  ? 0.62040 0.56079 0.51666 0.01405  -0.04842 0.02546  633 HIS A O   
138  C CB  . HIS A 56  ? 0.75499 0.65695 0.55152 -0.00376 -0.03324 0.01598  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.83858 0.71291 0.56601 -0.00710 -0.03296 0.02140  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.86854 0.73140 0.55947 -0.01994 -0.01595 0.00713  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.88438 0.73335 0.56685 0.00143  -0.04365 0.04154  633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.93306 0.76352 0.54970 -0.02029 -0.01615 0.01957  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.95756 0.77702 0.56789 -0.00590 -0.03434 0.04284  633 HIS A NE2 
144  N N   . MET A 57  ? 0.65030 0.59180 0.55451 0.00056  -0.03379 0.00245  634 MET A N   
145  C CA  . MET A 57  ? 0.61264 0.55784 0.55489 0.00509  -0.02404 0.00825  634 MET A CA  
146  C C   . MET A 57  ? 0.56934 0.52305 0.53647 0.00818  -0.02916 0.01190  634 MET A C   
147  O O   . MET A 57  ? 0.54547 0.49779 0.52045 0.01453  -0.02373 0.02475  634 MET A O   
148  C CB  . MET A 57  ? 0.59583 0.53623 0.56030 0.00096  -0.00986 -0.00383 634 MET A CB  
149  C CG  . MET A 57  ? 0.63993 0.57614 0.59357 -0.00216 0.00128  -0.01174 634 MET A CG  
150  S SD  . MET A 57  ? 0.67046 0.59974 0.65835 -0.00556 0.02018  -0.03199 634 MET A SD  
151  C CE  . MET A 57  ? 0.66301 0.59231 0.63038 -0.01392 0.03613  -0.04706 634 MET A CE  
152  N N   . LYS A 58  ? 0.68309 0.64793 0.66468 0.00261  -0.03822 -0.00288 635 LYS A N   
153  C CA  . LYS A 58  ? 0.68160 0.66041 0.70094 0.00310  -0.03942 -0.00509 635 LYS A CA  
154  C C   . LYS A 58  ? 0.69868 0.68318 0.71091 0.01377  -0.04900 0.00737  635 LYS A C   
155  O O   . LYS A 58  ? 0.65493 0.64247 0.69135 0.01598  -0.03723 0.01249  635 LYS A O   
156  C CB  . LYS A 58  ? 0.71653 0.71597 0.76229 -0.00540 -0.05285 -0.03060 635 LYS A CB  
157  C CG  . LYS A 58  ? 0.75165 0.74517 0.83180 -0.01917 -0.03380 -0.04797 635 LYS A CG  
158  C CD  . LYS A 58  ? 0.74509 0.75879 0.83580 -0.03011 -0.05108 -0.08094 635 LYS A CD  
159  C CE  . LYS A 58  ? 0.77065 0.81426 0.92725 -0.03833 -0.05555 -0.10305 635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.78022 0.80557 0.98744 -0.04991 -0.01762 -0.10285 635 LYS A NZ  
161  N N   . GLN A 59  ? 0.71569 0.69596 0.69230 0.02017  -0.06604 0.01248  636 GLN A N   
162  C CA  . GLN A 59  ? 0.72399 0.70169 0.69625 0.03169  -0.07275 0.02430  636 GLN A CA  
163  C C   . GLN A 59  ? 0.67595 0.64106 0.64195 0.03238  -0.05392 0.03521  636 GLN A C   
164  O O   . GLN A 59  ? 0.65786 0.62663 0.64167 0.03761  -0.04815 0.03726  636 GLN A O   
165  C CB  . GLN A 59  ? 0.75367 0.71585 0.68091 0.03845  -0.09010 0.03220  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.83859 0.81553 0.77716 0.05145  -0.11875 0.02925  636 GLN A CG  
167  C CD  . GLN A 59  ? 0.89342 0.84195 0.77983 0.06488  -0.13457 0.04758  636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.90059 0.82263 0.72833 0.05866  -0.12995 0.05465  636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.90931 0.85965 0.81788 0.08396  -0.15043 0.05547  636 GLN A NE2 
170  N N   . LEU A 60  ? 0.61198 0.56546 0.55520 0.02737  -0.04495 0.03848  637 LEU A N   
171  C CA  . LEU A 60  ? 0.60873 0.55799 0.54764 0.02875  -0.03386 0.04409  637 LEU A CA  
172  C C   . LEU A 60  ? 0.63946 0.59311 0.59519 0.03047  -0.02295 0.04669  637 LEU A C   
173  O O   . LEU A 60  ? 0.62736 0.57972 0.57678 0.03403  -0.01662 0.04975  637 LEU A O   
174  C CB  . LEU A 60  ? 0.61436 0.55994 0.54176 0.02447  -0.02967 0.04224  637 LEU A CB  
175  C CG  . LEU A 60  ? 0.66431 0.59828 0.56905 0.01925  -0.03002 0.04052  637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.68512 0.61991 0.59034 0.01203  -0.01988 0.03254  637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.61381 0.53866 0.51172 0.02078  -0.02830 0.04395  637 LEU A CD2 
178  N N   . GLU A 61  ? 0.61238 0.56638 0.58579 0.02657  -0.01683 0.04459  638 GLU A N   
179  C CA  . GLU A 61  ? 0.62565 0.57287 0.60995 0.02642  0.00074  0.05078  638 GLU A CA  
180  C C   . GLU A 61  ? 0.62076 0.57664 0.62319 0.02575  0.00845  0.04658  638 GLU A C   
181  O O   . GLU A 61  ? 0.61096 0.55838 0.59993 0.02759  0.02456  0.05332  638 GLU A O   
182  C CB  . GLU A 61  ? 0.62834 0.56910 0.63815 0.01928  0.01038  0.04603  638 GLU A CB  
183  C CG  . GLU A 61  ? 0.62572 0.54645 0.64251 0.01757  0.03620  0.05685  638 GLU A CG  
184  C CD  . GLU A 61  ? 0.64568 0.55652 0.70072 0.00636  0.05132  0.04733  638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.63930 0.56806 0.71984 -0.00160 0.03864  0.02596  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.65668 0.53828 0.71295 0.00476  0.07758  0.06054  638 GLU A OE2 
187  N N   . GLN A 62  ? 0.67396 0.64777 0.70634 0.02451  -0.00356 0.03397  639 GLN A N   
188  C CA  . GLN A 62  ? 0.69803 0.68657 0.76542 0.02614  0.00311  0.02573  639 GLN A CA  
189  C C   . GLN A 62  ? 0.69736 0.67886 0.74247 0.03429  0.00615  0.03071  639 GLN A C   
190  O O   . GLN A 62  ? 0.68438 0.66578 0.73982 0.03351  0.02762  0.02741  639 GLN A O   
191  C CB  . GLN A 62  ? 0.69991 0.71370 0.80475 0.02901  -0.02095 0.01103  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.75798 0.79536 0.91793 0.03378  -0.01727 -0.00165 639 GLN A CG  
193  C CD  . GLN A 62  ? 0.77473 0.84409 0.97712 0.04074  -0.04944 -0.01764 639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.76566 0.83546 0.94304 0.04065  -0.07397 -0.01855 639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.77168 0.86985 1.03820 0.04819  -0.05070 -0.03232 639 GLN A NE2 
196  N N   . ALA A 63  ? 0.63338 0.60615 0.64803 0.03975  -0.01028 0.03588  640 ALA A N   
197  C CA  . ALA A 63  ? 0.63918 0.60222 0.63595 0.04426  -0.00482 0.03589  640 ALA A CA  
198  C C   . ALA A 63  ? 0.64881 0.60386 0.61505 0.04039  0.01249  0.03854  640 ALA A C   
199  O O   . ALA A 63  ? 0.66684 0.61933 0.62816 0.04102  0.02803  0.03202  640 ALA A O   
200  C CB  . ALA A 63  ? 0.58211 0.53220 0.55451 0.04632  -0.01953 0.03987  640 ALA A CB  
201  N N   . LYS A 64  ? 0.63033 0.58040 0.57366 0.03821  0.00944  0.04750  641 LYS A N   
202  C CA  . LYS A 64  ? 0.63762 0.57875 0.54329 0.03996  0.01786  0.05410  641 LYS A CA  
203  C C   . LYS A 64  ? 0.68903 0.62060 0.59039 0.03750  0.04459  0.05777  641 LYS A C   
204  O O   . LYS A 64  ? 0.68524 0.60688 0.54501 0.03930  0.05562  0.05955  641 LYS A O   
205  C CB  . LYS A 64  ? 0.63970 0.57714 0.53288 0.04317  0.00704  0.06473  641 LYS A CB  
206  C CG  . LYS A 64  ? 0.65712 0.58193 0.50894 0.05112  0.01051  0.07808  641 LYS A CG  
207  C CD  . LYS A 64  ? 0.64839 0.58475 0.46979 0.05652  -0.00671 0.06994  641 LYS A CD  
208  C CE  . LYS A 64  ? 0.68066 0.60574 0.45158 0.06897  -0.01116 0.08486  641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.70141 0.63862 0.43330 0.07122  -0.02294 0.07052  641 LYS A NZ  
210  N N   . LYS A 65  ? 0.67434 0.60931 0.61752 0.03170  0.05731  0.05571  642 LYS A N   
211  C CA  . LYS A 65  ? 0.72015 0.64336 0.66723 0.02502  0.09133  0.05789  642 LYS A CA  
212  C C   . LYS A 65  ? 0.68069 0.62023 0.66928 0.02152  0.10838  0.03901  642 LYS A C   
213  O O   . LYS A 65  ? 0.72281 0.65951 0.73685 0.01232  0.14136  0.03439  642 LYS A O   
214  C CB  . LYS A 65  ? 0.67397 0.58988 0.65224 0.01727  0.10193  0.06295  642 LYS A CB  
215  C CG  . LYS A 65  ? 0.70870 0.60267 0.65113 0.02328  0.09160  0.08200  642 LYS A CG  
216  C CD  . LYS A 65  ? 0.68154 0.56136 0.65871 0.01441  0.10721  0.08413  642 LYS A CD  
217  C CE  . LYS A 65  ? 0.70549 0.55834 0.64976 0.02475  0.09955  0.10443  642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.63971 0.47259 0.62198 0.01587  0.11688  0.10403  642 LYS A NZ  
219  N N   . LEU A 66  ? 0.65249 0.60636 0.65321 0.02869  0.09037  0.02740  643 LEU A N   
220  C CA  . LEU A 66  ? 0.68026 0.64826 0.72617 0.03001  0.10595  0.00871  643 LEU A CA  
221  C C   . LEU A 66  ? 0.68987 0.64289 0.70539 0.02349  0.14596  0.00351  643 LEU A C   
222  O O   . LEU A 66  ? 0.70748 0.67145 0.77145 0.01880  0.17525  -0.01240 643 LEU A O   
223  C CB  . LEU A 66  ? 0.62139 0.59369 0.67440 0.04124  0.08209  0.00174  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.61933 0.60500 0.70747 0.04937  0.04884  0.00470  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.61255 0.58555 0.68809 0.05975  0.03037  0.00594  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.55468 0.56853 0.71880 0.05259  0.05121  -0.00922 643 LEU A CD2 
227  N N   . PHE A 67  ? 0.75115 0.68151 0.68736 0.02354  0.14754  0.01403  644 PHE A N   
228  C CA  . PHE A 67  ? 0.82480 0.73459 0.70685 0.01758  0.18406  0.01199  644 PHE A CA  
229  C C   . PHE A 67  ? 0.90010 0.78134 0.70324 0.01847  0.18342  0.03903  644 PHE A C   
230  O O   . PHE A 67  ? 0.84492 0.72652 0.64125 0.02520  0.15215  0.05476  644 PHE A O   
231  C CB  . PHE A 67  ? 0.83376 0.74448 0.68812 0.02053  0.18319  -0.00857 644 PHE A CB  
232  C CG  . PHE A 67  ? 0.80827 0.73839 0.74054 0.02378  0.18704  -0.03249 644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.80988 0.74581 0.78599 0.01875  0.22762  -0.05124 644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.74592 0.68605 0.71132 0.03317  0.15204  -0.03479 644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.76549 0.72122 0.82380 0.02708  0.22746  -0.07276 644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.72595 0.67707 0.76016 0.04148  0.15242  -0.05101 644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.72434 0.68551 0.80895 0.04052  0.18722  -0.07038 644 PHE A CZ  
238  N N   . GLU A 68  ? 0.96543 0.81889 0.70540 0.01331  0.21968  0.04468  645 GLU A N   
239  C CA  . GLU A 68  ? 1.00732 0.82443 0.66539 0.01822  0.22159  0.07646  645 GLU A CA  
240  C C   . GLU A 68  ? 1.02116 0.84377 0.62237 0.03374  0.17363  0.08342  645 GLU A C   
241  O O   . GLU A 68  ? 1.04040 0.84925 0.61500 0.04487  0.15214  0.10907  645 GLU A O   
242  C CB  . GLU A 68  ? 1.09951 0.87961 0.68513 0.01019  0.27213  0.08219  645 GLU A CB  
243  N N   . ASN A 69  ? 1.05351 0.89775 0.64553 0.03455  0.15729  0.05750  646 ASN A N   
244  C CA  . ASN A 69  ? 1.09785 0.95168 0.63441 0.04555  0.11726  0.05466  646 ASN A CA  
245  C C   . ASN A 69  ? 1.03423 0.92205 0.63666 0.04278  0.09147  0.02766  646 ASN A C   
246  O O   . ASN A 69  ? 0.98667 0.88198 0.60383 0.03527  0.10431  -0.00052 646 ASN A O   
247  C CB  . ASN A 69  ? 1.15558 0.99346 0.59756 0.04487  0.13202  0.04489  646 ASN A CB  
248  C CG  . ASN A 69  ? 1.27455 1.08239 0.61662 0.05944  0.12168  0.07791  646 ASN A CG  
249  O OD1 . ASN A 69  ? 1.26689 1.05264 0.61456 0.06704  0.12311  0.11194  646 ASN A OD1 
250  N ND2 . ASN A 69  ? 1.36131 1.16303 0.60628 0.06395  0.11414  0.06801  646 ASN A ND2 
251  N N   . THR A 70  ? 0.89390 0.79686 0.53631 0.04826  0.06038  0.03614  647 THR A N   
252  C CA  . THR A 70  ? 0.82211 0.74714 0.52364 0.04397  0.04322  0.01622  647 THR A CA  
253  C C   . THR A 70  ? 0.81707 0.76110 0.51520 0.04906  0.00661  0.01234  647 THR A C   
254  O O   . THR A 70  ? 0.80953 0.75458 0.47971 0.05994  -0.01175 0.02952  647 THR A O   
255  C CB  . THR A 70  ? 0.77661 0.70373 0.54580 0.04163  0.04749  0.02454  647 THR A CB  
256  O OG1 . THR A 70  ? 0.73448 0.66055 0.50673 0.04702  0.03271  0.04561  647 THR A OG1 
257  C CG2 . THR A 70  ? 0.78070 0.69882 0.57222 0.03689  0.08115  0.02451  647 THR A CG2 
258  N N   . THR A 71  ? 0.77769 0.73525 0.51161 0.04144  -0.00138 -0.01141 648 THR A N   
259  C CA  . THR A 71  ? 0.73765 0.71501 0.49920 0.04034  -0.02693 -0.01951 648 THR A CA  
260  C C   . THR A 71  ? 0.70944 0.67911 0.52534 0.03340  -0.01825 -0.01799 648 THR A C   
261  O O   . THR A 71  ? 0.67519 0.63331 0.50914 0.02735  -0.00375 -0.03077 648 THR A O   
262  C CB  . THR A 71  ? 0.69664 0.69251 0.44675 0.03397  -0.04027 -0.05272 648 THR A CB  
263  O OG1 . THR A 71  ? 0.75949 0.76563 0.44858 0.04426  -0.05780 -0.05230 648 THR A OG1 
264  C CG2 . THR A 71  ? 0.67165 0.68906 0.46884 0.02798  -0.05802 -0.06597 648 THR A CG2 
265  N N   . LEU A 72  ? 0.71421 0.68642 0.55187 0.03605  -0.02637 -0.00175 649 LEU A N   
266  C CA  . LEU A 72  ? 0.66054 0.62254 0.53323 0.03096  -0.02081 0.00282  649 LEU A CA  
267  C C   . LEU A 72  ? 0.63233 0.60146 0.52473 0.02193  -0.02706 -0.01147 649 LEU A C   
268  O O   . LEU A 72  ? 0.61239 0.60049 0.51202 0.02289  -0.03931 -0.01361 649 LEU A O   
269  C CB  . LEU A 72  ? 0.62001 0.57916 0.50097 0.03569  -0.02176 0.02307  649 LEU A CB  
270  C CG  . LEU A 72  ? 0.62160 0.57181 0.52414 0.03138  -0.02135 0.02716  649 LEU A CG  
271  C CD1 . LEU A 72  ? 0.53491 0.47041 0.44733 0.03273  -0.01476 0.02727  649 LEU A CD1 
272  C CD2 . LEU A 72  ? 0.55211 0.50411 0.46096 0.03367  -0.02399 0.03893  649 LEU A CD2 
273  N N   . ILE A 73  ? 0.61123 0.56329 0.51760 0.01341  -0.01575 -0.02216 650 ILE A N   
274  C CA  . ILE A 73  ? 0.62892 0.57583 0.55732 0.00052  -0.01056 -0.03356 650 ILE A CA  
275  C C   . ILE A 73  ? 0.61691 0.53753 0.54555 0.00076  -0.00234 -0.01273 650 ILE A C   
276  O O   . ILE A 73  ? 0.63040 0.53050 0.55144 0.00927  0.00005  0.00172  650 ILE A O   
277  C CB  . ILE A 73  ? 0.62916 0.56269 0.56897 -0.01028 0.00160  -0.05741 650 ILE A CB  
278  C CG1 . ILE A 73  ? 0.63832 0.59816 0.56422 -0.00934 -0.00891 -0.08063 650 ILE A CG1 
279  C CG2 . ILE A 73  ? 0.58578 0.51182 0.55360 -0.02794 0.01346  -0.07163 650 ILE A CG2 
280  C CD1 . ILE A 73  ? 0.63168 0.57993 0.56815 -0.02111 0.00419  -0.11167 650 ILE A CD1 
281  N N   . VAL A 74  ? 0.64240 0.56564 0.57947 -0.00757 0.00120  -0.01298 651 VAL A N   
282  C CA  . VAL A 74  ? 0.63797 0.53466 0.56011 -0.00839 0.00929  0.00542  651 VAL A CA  
283  C C   . VAL A 74  ? 0.66267 0.53243 0.58955 -0.02499 0.03171  -0.00129 651 VAL A C   
284  O O   . VAL A 74  ? 0.65624 0.54579 0.61178 -0.03888 0.03990  -0.02254 651 VAL A O   
285  C CB  . VAL A 74  ? 0.62530 0.54110 0.54588 -0.00530 0.00214  0.01120  651 VAL A CB  
286  C CG1 . VAL A 74  ? 0.63873 0.52720 0.53440 -0.00938 0.01188  0.02402  651 VAL A CG1 
287  C CG2 . VAL A 74  ? 0.58759 0.51906 0.50428 0.00873  -0.01311 0.01981  651 VAL A CG2 
288  N N   . GLY A 75  ? 0.66079 0.48454 0.56291 -0.02289 0.04225  0.01646  652 GLY A N   
289  C CA  . GLY A 75  ? 0.72270 0.50427 0.61793 -0.03878 0.07061  0.01752  652 GLY A CA  
290  C C   . GLY A 75  ? 0.76362 0.52242 0.61911 -0.04179 0.08035  0.03578  652 GLY A C   
291  O O   . GLY A 75  ? 0.74588 0.49926 0.56640 -0.02626 0.06246  0.05573  652 GLY A O   
292  N N   . VAL A 76  ? 0.74511 0.49259 0.60800 -0.06363 0.11057  0.02466  653 VAL A N   
293  C CA  . VAL A 76  ? 0.80286 0.52899 0.62531 -0.07155 0.12872  0.03556  653 VAL A CA  
294  C C   . VAL A 76  ? 0.88893 0.54498 0.67506 -0.08601 0.16725  0.05035  653 VAL A C   
295  O O   . VAL A 76  ? 0.86094 0.50866 0.68792 -0.10750 0.19753  0.03096  653 VAL A O   
296  C CB  . VAL A 76  ? 0.74076 0.51488 0.60747 -0.08555 0.13850  0.00767  653 VAL A CB  
297  C CG1 . VAL A 76  ? 0.79863 0.54981 0.62022 -0.09399 0.16087  0.01533  653 VAL A CG1 
298  C CG2 . VAL A 76  ? 0.66465 0.49755 0.56480 -0.06862 0.10180  -0.00215 653 VAL A CG2 
299  N N   . THR A 77  ? 0.70237 0.56233 0.61685 -0.00945 0.01317  0.02342  654 THR A N   
300  C CA  . THR A 77  ? 0.75097 0.58351 0.66537 -0.00418 0.03354  0.04543  654 THR A CA  
301  C C   . THR A 77  ? 0.74343 0.58404 0.66159 -0.01334 0.04680  0.05554  654 THR A C   
302  O O   . THR A 77  ? 0.72189 0.59327 0.63079 -0.01095 0.03988  0.05245  654 THR A O   
303  C CB  . THR A 77  ? 0.74349 0.57766 0.64134 0.02301  0.02884  0.06818  654 THR A CB  
304  O OG1 . THR A 77  ? 0.73213 0.59940 0.60713 0.03185  0.00876  0.06742  654 THR A OG1 
305  C CG2 . THR A 77  ? 0.74288 0.57202 0.65707 0.03314  0.02363  0.06401  654 THR A CG2 
306  N N   . SER A 78  ? 0.78567 0.59514 0.72192 -0.02284 0.07042  0.06922  655 SER A N   
307  C CA  . SER A 78  ? 0.80569 0.62235 0.76068 -0.03327 0.09184  0.08455  655 SER A CA  
308  C C   . SER A 78  ? 0.81709 0.64246 0.72985 -0.00664 0.10439  0.11260  655 SER A C   
309  O O   . SER A 78  ? 0.83976 0.65673 0.71202 0.01774  0.09443  0.12423  655 SER A O   
310  C CB  . SER A 78  ? 0.80535 0.58011 0.79689 -0.05191 0.11606  0.09528  655 SER A CB  
311  O OG  . SER A 78  ? 0.84042 0.57861 0.80909 -0.03027 0.13612  0.12659  655 SER A OG  
312  N N   . ASP A 79  ? 0.86808 0.71083 0.79050 -0.01033 0.12642  0.12411  656 ASP A N   
313  C CA  . ASP A 79  ? 0.94070 0.78474 0.80753 0.01699  0.14407  0.14897  656 ASP A CA  
314  C C   . ASP A 79  ? 1.00783 0.81184 0.84723 0.03291  0.16719  0.18679  656 ASP A C   
315  O O   . ASP A 79  ? 1.04777 0.84254 0.82089 0.06207  0.15682  0.20158  656 ASP A O   
316  C CB  . ASP A 79  ? 0.95307 0.82206 0.84321 0.01168  0.17362  0.15565  656 ASP A CB  
317  C CG  . ASP A 79  ? 0.95637 0.86416 0.85478 0.00972  0.15163  0.12489  656 ASP A CG  
318  O OD1 . ASP A 79  ? 0.90830 0.81867 0.76299 0.02265  0.11963  0.10501  656 ASP A OD1 
319  O OD2 . ASP A 79  ? 0.91875 0.85541 0.87662 -0.00542 0.16596  0.12259  656 ASP A OD2 
320  N N   . ASN A 80  ? 0.79332 0.57132 0.68446 0.01378  0.19626  0.20387  657 ASN A N   
321  C CA  . ASN A 80  ? 0.85618 0.59044 0.72548 0.02995  0.22574  0.24675  657 ASN A CA  
322  C C   . ASN A 80  ? 0.86547 0.57555 0.70515 0.05019  0.20009  0.24947  657 ASN A C   
323  O O   . ASN A 80  ? 0.89282 0.58500 0.67747 0.08146  0.20406  0.28317  657 ASN A O   
324  C CB  . ASN A 80  ? 0.84293 0.54880 0.78779 -0.00016 0.26109  0.26121  657 ASN A CB  
325  N N   . GLU A 81  ? 0.97423 0.68542 0.84830 0.03576  0.17378  0.21624  658 GLU A N   
326  C CA  . GLU A 81  ? 0.96842 0.65957 0.83043 0.05667  0.15681  0.22169  658 GLU A CA  
327  C C   . GLU A 81  ? 0.98759 0.71488 0.80058 0.08364  0.12083  0.21974  658 GLU A C   
328  O O   . GLU A 81  ? 1.00550 0.72362 0.79498 0.11198  0.11012  0.24508  658 GLU A O   
329  C CB  . GLU A 81  ? 0.95668 0.63352 0.86383 0.03635  0.14724  0.18733  658 GLU A CB  
330  C CG  . GLU A 81  ? 0.95949 0.58029 0.90860 0.01557  0.17664  0.19052  658 GLU A CG  
331  C CD  . GLU A 81  ? 0.94947 0.55457 0.92538 -0.00753 0.16395  0.14641  658 GLU A CD  
332  O OE1 . GLU A 81  ? 0.91878 0.56354 0.89546 -0.02364 0.14100  0.11513  658 GLU A OE1 
333  O OE2 . GLU A 81  ? 0.97548 0.52436 0.96540 -0.00718 0.17796  0.14327  658 GLU A OE2 
334  N N   . THR A 82  ? 0.88544 0.65322 0.68789 0.07499  0.09908  0.19030  659 THR A N   
335  C CA  . THR A 82  ? 0.93281 0.72964 0.69250 0.09584  0.06226  0.18491  659 THR A CA  
336  C C   . THR A 82  ? 0.95353 0.74050 0.64163 0.12436  0.06455  0.21782  659 THR A C   
337  O O   . THR A 82  ? 0.96479 0.75634 0.62341 0.14841  0.03491  0.23172  659 THR A O   
338  C CB  . THR A 82  ? 0.90471 0.73610 0.66470 0.08141  0.04347  0.14870  659 THR A CB  
339  O OG1 . THR A 82  ? 0.80949 0.64786 0.62435 0.05828  0.03961  0.12181  659 THR A OG1 
340  C CG2 . THR A 82  ? 0.89651 0.75013 0.62040 0.09887  0.00239  0.14069  659 THR A CG2 
341  N N   . LYS A 83  ? 1.07514 0.84927 0.73501 0.12352  0.09996  0.23303  660 LYS A N   
342  C CA  . LYS A 83  ? 1.13287 0.89138 0.70595 0.15391  0.10821  0.26513  660 LYS A CA  
343  C C   . LYS A 83  ? 1.16003 0.88498 0.71832 0.17665  0.11706  0.31131  660 LYS A C   
344  O O   . LYS A 83  ? 1.22384 0.94714 0.71474 0.20393  0.09734  0.32927  660 LYS A O   
345  C CB  . LYS A 83  ? 1.15716 0.90857 0.71257 0.14927  0.15665  0.27546  660 LYS A CB  
346  C CG  . LYS A 83  ? 1.15305 0.93681 0.71801 0.13481  0.15039  0.23516  660 LYS A CG  
347  C CD  . LYS A 83  ? 1.19374 0.98080 0.80001 0.11969  0.20385  0.24546  660 LYS A CD  
348  C CE  . LYS A 83  ? 1.16078 0.98191 0.78507 0.10983  0.19937  0.20959  660 LYS A CE  
349  N NZ  . LYS A 83  ? 1.18641 1.01385 0.83231 0.10888  0.25627  0.22933  660 LYS A NZ  
350  N N   . LEU A 84  ? 1.13922 0.83951 0.76741 0.16213  0.14218  0.32298  661 LEU A N   
351  C CA  . LEU A 84  ? 1.18152 0.84818 0.80893 0.18280  0.15270  0.36364  661 LEU A CA  
352  C C   . LEU A 84  ? 1.17236 0.85502 0.80368 0.20462  0.10594  0.36392  661 LEU A C   
353  O O   . LEU A 84  ? 1.21236 0.89354 0.81983 0.22774  0.09181  0.38873  661 LEU A O   
354  C CB  . LEU A 84  ? 1.14785 0.77558 0.85113 0.15894  0.19382  0.37024  661 LEU A CB  
355  C CG  . LEU A 84  ? 1.22939 0.82634 0.94067 0.17555  0.20813  0.40317  661 LEU A CG  
356  C CD1 . LEU A 84  ? 1.25977 0.85650 0.90987 0.19303  0.22491  0.43316  661 LEU A CD1 
357  C CD2 . LEU A 84  ? 1.22704 0.78106 1.01564 0.14899  0.24292  0.39959  661 LEU A CD2 
358  N N   . PHE A 85  ? 1.27787 0.98739 0.95466 0.19172  0.07895  0.32863  662 PHE A N   
359  C CA  . PHE A 85  ? 1.26910 0.99567 0.98074 0.20939  0.04533  0.33141  662 PHE A CA  
360  C C   . PHE A 85  ? 1.22682 1.00655 0.92024 0.21632  -0.01103 0.31027  662 PHE A C   
361  O O   . PHE A 85  ? 1.27028 1.06951 0.97411 0.24097  -0.04519 0.32948  662 PHE A O   
362  C CB  . PHE A 85  ? 1.22674 0.94269 1.01934 0.18862  0.06176  0.30562  662 PHE A CB  
363  C CG  . PHE A 85  ? 1.21732 0.87283 1.03675 0.18051  0.11028  0.32200  662 PHE A CG  
364  C CD1 . PHE A 85  ? 1.31036 0.93195 1.12065 0.20460  0.12734  0.36569  662 PHE A CD1 
365  C CD2 . PHE A 85  ? 1.21416 0.85002 1.07155 0.14492  0.13336  0.28786  662 PHE A CD2 
366  C CE1 . PHE A 85  ? 1.30274 0.87243 1.14687 0.19037  0.16876  0.37121  662 PHE A CE1 
367  C CE2 . PHE A 85  ? 1.22384 0.79894 1.11002 0.13294  0.17317  0.29841  662 PHE A CE2 
368  C CZ  . PHE A 85  ? 1.28309 0.82245 1.16455 0.15585  0.19304  0.34115  662 PHE A CZ  
369  N N   . LYS A 86  ? 1.03924 0.84290 0.71446 0.19501  -0.02302 0.27216  663 LYS A N   
370  C CA  . LYS A 86  ? 1.02995 0.87725 0.69918 0.19534  -0.07572 0.24678  663 LYS A CA  
371  C C   . LYS A 86  ? 1.06535 0.91164 0.63679 0.20758  -0.09722 0.24572  663 LYS A C   
372  O O   . LYS A 86  ? 1.10339 0.96474 0.64166 0.22516  -0.14067 0.25521  663 LYS A O   
373  C CB  . LYS A 86  ? 0.98991 0.85919 0.71213 0.16415  -0.07573 0.20238  663 LYS A CB  
374  N N   . GLY A 87  ? 1.09998 0.92996 0.63164 0.19542  -0.06583 0.23135  664 GLY A N   
375  C CA  . GLY A 87  ? 1.12897 0.95082 0.56286 0.20775  -0.07637 0.22451  664 GLY A CA  
376  C C   . GLY A 87  ? 1.13531 0.95104 0.56079 0.19030  -0.04043 0.19935  664 GLY A C   
377  O O   . GLY A 87  ? 1.11544 0.93678 0.61490 0.16614  -0.01007 0.19009  664 GLY A O   
378  N N   . GLN A 88  ? 1.22351 1.03212 0.57165 0.19883  -0.04612 0.18281  665 GLN A N   
379  C CA  . GLN A 88  ? 1.25975 1.05905 0.58599 0.19320  -0.00704 0.16614  665 GLN A CA  
380  C C   . GLN A 88  ? 1.19194 1.01713 0.58805 0.16686  -0.02033 0.12559  665 GLN A C   
381  O O   . GLN A 88  ? 1.15240 0.99569 0.57265 0.15862  -0.06820 0.10108  665 GLN A O   
382  C CB  . GLN A 88  ? 1.30281 1.08890 0.54712 0.20648  -0.01156 0.15031  665 GLN A CB  
383  C CG  . GLN A 88  ? 1.33576 1.11261 0.53119 0.22362  -0.03285 0.17403  665 GLN A CG  
384  C CD  . GLN A 88  ? 1.49967 1.25194 0.60007 0.24074  -0.02127 0.16784  665 GLN A CD  
385  O OE1 . GLN A 88  ? 1.51731 1.25595 0.59450 0.24344  0.01863  0.15472  665 GLN A OE1 
386  N NE2 . GLN A 88  ? 1.52426 1.27067 0.56943 0.25430  -0.05517 0.17916  665 GLN A NE2 
387  N N   . VAL A 89  ? 1.17112 1.00129 0.61005 0.15239  0.02319  0.12114  666 VAL A N   
388  C CA  . VAL A 89  ? 1.10947 0.96358 0.61461 0.12925  0.01757  0.08790  666 VAL A CA  
389  C C   . VAL A 89  ? 1.11608 0.96490 0.59307 0.13655  0.05268  0.07846  666 VAL A C   
390  O O   . VAL A 89  ? 1.15514 0.99384 0.61632 0.14617  0.10030  0.10503  666 VAL A O   
391  C CB  . VAL A 89  ? 1.04816 0.91883 0.65053 0.10381  0.03199  0.09469  666 VAL A CB  
392  C CG1 . VAL A 89  ? 0.99742 0.89185 0.65845 0.08297  0.02548  0.06532  666 VAL A CG1 
393  C CG2 . VAL A 89  ? 1.05423 0.92497 0.68000 0.10262  0.00477  0.10329  666 VAL A CG2 
394  N N   . VAL A 90  ? 1.02793 0.88183 0.50357 0.13372  0.03407  0.04365  667 VAL A N   
395  C CA  . VAL A 90  ? 1.04922 0.89454 0.49677 0.14671  0.06909  0.03355  667 VAL A CA  
396  C C   . VAL A 90  ? 1.02095 0.89910 0.56802 0.12818  0.09610  0.03407  667 VAL A C   
397  O O   . VAL A 90  ? 1.04090 0.92473 0.59972 0.13659  0.14374  0.04886  667 VAL A O   
398  C CB  . VAL A 90  ? 1.11253 0.93330 0.49310 0.15901  0.03864  -0.00474 667 VAL A CB  
399  C CG1 . VAL A 90  ? 1.12008 0.93975 0.49394 0.14929  -0.02436 -0.02134 667 VAL A CG1 
400  C CG2 . VAL A 90  ? 1.07380 0.90349 0.50103 0.15443  0.05295  -0.02816 667 VAL A CG2 
401  N N   . GLN A 91  ? 0.88915 0.79132 0.51081 0.10381  0.06761  0.02189  668 GLN A N   
402  C CA  . GLN A 91  ? 0.84174 0.77593 0.55155 0.08633  0.08330  0.02250  668 GLN A CA  
403  C C   . GLN A 91  ? 0.83876 0.78752 0.60945 0.06531  0.09439  0.04478  668 GLN A C   
404  O O   . GLN A 91  ? 0.81268 0.74936 0.57715 0.05833  0.07683  0.05100  668 GLN A O   
405  C CB  . GLN A 91  ? 0.81490 0.76102 0.56064 0.07390  0.04779  -0.00314 668 GLN A CB  
406  C CG  . GLN A 91  ? 0.82626 0.75219 0.52633 0.08955  0.03496  -0.02837 668 GLN A CG  
407  C CD  . GLN A 91  ? 0.81528 0.75168 0.56213 0.07635  0.00738  -0.04606 668 GLN A CD  
408  O OE1 . GLN A 91  ? 0.76438 0.69874 0.51817 0.06400  -0.02490 -0.05254 668 GLN A OE1 
409  N NE2 . GLN A 91  ? 0.82335 0.77343 0.60935 0.08031  0.02269  -0.04931 668 GLN A NE2 
410  N N   . THR A 92  ? 0.73018 0.70472 0.56714 0.05470  0.12202  0.05543  669 THR A N   
411  C CA  . THR A 92  ? 0.74744 0.73235 0.65023 0.02930  0.12896  0.07080  669 THR A CA  
412  C C   . THR A 92  ? 0.72402 0.71503 0.66084 0.00699  0.08892  0.05097  669 THR A C   
413  O O   . THR A 92  ? 0.66345 0.65952 0.58845 0.00992  0.06072  0.03006  669 THR A O   
414  C CB  . THR A 92  ? 0.74920 0.76797 0.72984 0.01947  0.16085  0.08480  669 THR A CB  
415  O OG1 . THR A 92  ? 0.68879 0.74056 0.71350 0.01567  0.14068  0.06581  669 THR A OG1 
416  C CG2 . THR A 92  ? 0.72678 0.73940 0.67553 0.04472  0.21189  0.10791  669 THR A CG2 
417  N N   . LEU A 93  ? 0.72218 0.70709 0.69961 -0.01522 0.09035  0.05840  670 LEU A N   
418  C CA  . LEU A 93  ? 0.69337 0.67616 0.69316 -0.03513 0.05865  0.03903  670 LEU A CA  
419  C C   . LEU A 93  ? 0.65986 0.67690 0.69691 -0.04348 0.03843  0.02270  670 LEU A C   
420  O O   . LEU A 93  ? 0.59618 0.61231 0.61370 -0.04122 0.01199  0.00605  670 LEU A O   
421  C CB  . LEU A 93  ? 0.68171 0.64461 0.71793 -0.05839 0.06681  0.04572  670 LEU A CB  
422  C CG  . LEU A 93  ? 0.66674 0.61681 0.71206 -0.07765 0.03736  0.02186  670 LEU A CG  
423  C CD1 . LEU A 93  ? 0.65926 0.58523 0.65230 -0.06169 0.02460  0.01411  670 LEU A CD1 
424  C CD2 . LEU A 93  ? 0.65672 0.58038 0.74064 -0.10403 0.04481  0.02238  670 LEU A CD2 
425  N N   . GLU A 94  ? 0.78390 0.83352 0.87891 -0.05059 0.05282  0.03171  671 GLU A N   
426  C CA  . GLU A 94  ? 0.76308 0.85120 0.90096 -0.05365 0.03340  0.02242  671 GLU A CA  
427  C C   . GLU A 94  ? 0.77779 0.86403 0.87188 -0.02933 0.02384  0.01207  671 GLU A C   
428  O O   . GLU A 94  ? 0.70827 0.80130 0.80346 -0.03176 -0.00490 -0.00036 671 GLU A O   
429  C CB  . GLU A 94  ? 0.77436 0.90317 0.98810 -0.05682 0.05917  0.04074  671 GLU A CB  
430  C CG  . GLU A 94  ? 0.74961 0.92634 1.03337 -0.06619 0.03342  0.03633  671 GLU A CG  
431  C CD  . GLU A 94  ? 0.75855 0.98334 1.14187 -0.07455 0.05837  0.05808  671 GLU A CD  
432  O OE1 . GLU A 94  ? 0.78848 1.00867 1.21091 -0.09749 0.07352  0.06907  671 GLU A OE1 
433  O OE2 . GLU A 94  ? 0.77131 1.03798 1.20107 -0.05747 0.06587  0.06639  671 GLU A OE2 
434  N N   . GLU A 95  ? 0.69775 0.76947 0.74861 -0.00562 0.04781  0.01697  672 GLU A N   
435  C CA  . GLU A 95  ? 0.66764 0.72930 0.67900 0.01489  0.03809  0.00312  672 GLU A CA  
436  C C   . GLU A 95  ? 0.64736 0.68437 0.61905 0.01042  0.00728  -0.01124 672 GLU A C   
437  O O   . GLU A 95  ? 0.59984 0.63742 0.57249 0.01310  -0.01204 -0.02213 672 GLU A O   
438  C CB  . GLU A 95  ? 0.70943 0.75040 0.66765 0.04050  0.06718  0.00597  672 GLU A CB  
439  C CG  . GLU A 95  ? 0.73157 0.79440 0.72457 0.05180  0.10974  0.02339  672 GLU A CG  
440  C CD  . GLU A 95  ? 0.79637 0.82681 0.71190 0.07978  0.14360  0.02711  672 GLU A CD  
441  O OE1 . GLU A 95  ? 0.79642 0.79410 0.64339 0.08247  0.13579  0.02715  672 GLU A OE1 
442  O OE2 . GLU A 95  ? 0.80086 0.83839 0.72258 0.10135  0.17899  0.03148  672 GLU A OE2 
443  N N   . ARG A 96  ? 0.70473 0.71995 0.64645 0.00583  0.00582  -0.00778 673 ARG A N   
444  C CA  . ARG A 96  ? 0.66496 0.66333 0.58293 0.00351  -0.01862 -0.01749 673 ARG A CA  
445  C C   . ARG A 96  ? 0.64011 0.64686 0.58685 -0.01221 -0.03569 -0.02365 673 ARG A C   
446  O O   . ARG A 96  ? 0.58486 0.58529 0.52245 -0.01089 -0.05156 -0.03096 673 ARG A O   
447  C CB  . ARG A 96  ? 0.67272 0.65074 0.56407 0.00520  -0.01482 -0.00786 673 ARG A CB  
448  C CG  . ARG A 96  ? 0.73537 0.69981 0.57732 0.02479  -0.00569 -0.00158 673 ARG A CG  
449  C CD  . ARG A 96  ? 0.73743 0.68370 0.55380 0.03012  -0.00605 0.01366  673 ARG A CD  
450  N NE  . ARG A 96  ? 0.75564 0.69541 0.58864 0.02419  0.02212  0.03385  673 ARG A NE  
451  C CZ  . ARG A 96  ? 0.75915 0.68557 0.61320 0.01449  0.02421  0.04243  673 ARG A CZ  
452  N NH1 . ARG A 96  ? 0.72524 0.64740 0.58656 0.01216  0.00381  0.03377  673 ARG A NH1 
453  N NH2 . ARG A 96  ? 0.79181 0.70559 0.66315 0.00773  0.05139  0.06103  673 ARG A NH2 
454  N N   . THR A 97  ? 0.62312 0.64280 0.60344 -0.02729 -0.03322 -0.02056 674 THR A N   
455  C CA  . THR A 97  ? 0.61717 0.63768 0.60658 -0.04122 -0.05299 -0.02891 674 THR A CA  
456  C C   . THR A 97  ? 0.61157 0.65485 0.61737 -0.03650 -0.06825 -0.03084 674 THR A C   
457  O O   . THR A 97  ? 0.57519 0.61009 0.56270 -0.03585 -0.08332 -0.03515 674 THR A O   
458  C CB  . THR A 97  ? 0.63786 0.65778 0.65356 -0.06213 -0.05239 -0.02940 674 THR A CB  
459  O OG1 . THR A 97  ? 0.63760 0.62808 0.63782 -0.06394 -0.03546 -0.02467 674 THR A OG1 
460  C CG2 . THR A 97  ? 0.61411 0.62761 0.62179 -0.07581 -0.07738 -0.04302 674 THR A CG2 
461  N N   . GLU A 98  ? 0.63067 0.70159 0.67227 -0.03012 -0.06029 -0.02402 675 GLU A N   
462  C CA  . GLU A 98  ? 0.58751 0.68019 0.65174 -0.01977 -0.07176 -0.02151 675 GLU A CA  
463  C C   . GLU A 98  ? 0.60222 0.67119 0.63218 -0.00456 -0.07449 -0.02614 675 GLU A C   
464  O O   . GLU A 98  ? 0.61551 0.68732 0.64967 0.00014  -0.08930 -0.02317 675 GLU A O   
465  C CB  . GLU A 98  ? 0.64674 0.77098 0.75989 -0.00927 -0.05237 -0.01131 675 GLU A CB  
466  C CG  . GLU A 98  ? 0.70062 0.85718 0.85907 0.00189  -0.06506 -0.00353 675 GLU A CG  
467  C CD  . GLU A 98  ? 0.71910 0.91313 0.94104 0.01501  -0.03959 0.00979  675 GLU A CD  
468  O OE1 . GLU A 98  ? 0.78555 0.98177 1.01643 0.01249  -0.01009 0.01454  675 GLU A OE1 
469  O OE2 . GLU A 98  ? 0.70159 0.92269 0.96685 0.03047  -0.04560 0.01901  675 GLU A OE2 
470  N N   . THR A 99  ? 0.61075 0.65511 0.60834 0.00226  -0.06303 -0.03201 676 THR A N   
471  C CA  . THR A 99  ? 0.63614 0.65741 0.61233 0.01105  -0.06984 -0.03866 676 THR A CA  
472  C C   . THR A 99  ? 0.63708 0.64727 0.60332 0.00104  -0.08311 -0.03721 676 THR A C   
473  O O   . THR A 99  ? 0.62259 0.62529 0.59259 0.00470  -0.08999 -0.03398 676 THR A O   
474  C CB  . THR A 99  ? 0.64350 0.64348 0.58748 0.01916  -0.06223 -0.04764 676 THR A CB  
475  O OG1 . THR A 99  ? 0.70251 0.70650 0.64377 0.03328  -0.04229 -0.04812 676 THR A OG1 
476  C CG2 . THR A 99  ? 0.60348 0.57844 0.53524 0.02278  -0.07541 -0.05831 676 THR A CG2 
477  N N   . LEU A 100 ? 0.62330 0.62912 0.57757 -0.00945 -0.08183 -0.03706 677 LEU A N   
478  C CA  . LEU A 100 ? 0.60755 0.60046 0.54979 -0.01480 -0.08541 -0.03496 677 LEU A CA  
479  C C   . LEU A 100 ? 0.62898 0.62547 0.56698 -0.01639 -0.09427 -0.03010 677 LEU A C   
480  O O   . LEU A 100 ? 0.63803 0.62081 0.56136 -0.01463 -0.09274 -0.02430 677 LEU A O   
481  C CB  . LEU A 100 ? 0.63417 0.61767 0.56483 -0.02210 -0.07806 -0.03649 677 LEU A CB  
482  C CG  . LEU A 100 ? 0.67058 0.64563 0.60011 -0.01700 -0.07306 -0.03457 677 LEU A CG  
483  C CD1 . LEU A 100 ? 0.69267 0.65659 0.61509 -0.02044 -0.06274 -0.03274 677 LEU A CD1 
484  C CD2 . LEU A 100 ? 0.66086 0.63074 0.59856 -0.01469 -0.07364 -0.03036 677 LEU A CD2 
485  N N   . LYS A 101 ? 0.57941 0.59593 0.53138 -0.01889 -0.10351 -0.02970 678 LYS A N   
486  C CA  . LYS A 101 ? 0.58631 0.61066 0.53170 -0.01886 -0.12080 -0.02380 678 LYS A CA  
487  C C   . LYS A 101 ? 0.64412 0.66220 0.58922 -0.00437 -0.12191 -0.01103 678 LYS A C   
488  O O   . LYS A 101 ? 0.63474 0.64729 0.55588 -0.00093 -0.13239 -0.00117 678 LYS A O   
489  C CB  . LYS A 101 ? 0.59461 0.65270 0.57744 -0.02399 -0.13385 -0.02348 678 LYS A CB  
490  C CG  . LYS A 101 ? 0.63775 0.71600 0.62656 -0.02163 -0.16085 -0.01495 678 LYS A CG  
491  C CD  . LYS A 101 ? 0.62638 0.74953 0.67715 -0.02760 -0.17372 -0.01214 678 LYS A CD  
492  C CE  . LYS A 101 ? 0.60854 0.75438 0.70896 -0.00754 -0.15653 -0.00025 678 LYS A CE  
493  N NZ  . LYS A 101 ? 0.56466 0.76288 0.73507 -0.00527 -0.17282 0.01194  678 LYS A NZ  
494  N N   . HIS A 102 ? 0.51979 0.53232 0.48532 0.00457  -0.11132 -0.01110 679 HIS A N   
495  C CA  . HIS A 102 ? 0.57866 0.57777 0.55233 0.01691  -0.11054 0.00027  679 HIS A CA  
496  C C   . HIS A 102 ? 0.58399 0.55555 0.54626 0.01346  -0.10054 0.00451  679 HIS A C   
497  O O   . HIS A 102 ? 0.61966 0.57360 0.59449 0.02048  -0.09678 0.01530  679 HIS A O   
498  C CB  . HIS A 102 ? 0.58445 0.58313 0.58605 0.02840  -0.10383 -0.00625 679 HIS A CB  
499  C CG  . HIS A 102 ? 0.57608 0.60695 0.60498 0.03606  -0.10630 -0.00369 679 HIS A CG  
500  N ND1 . HIS A 102 ? 0.57626 0.62413 0.63095 0.04978  -0.11586 0.01264  679 HIS A ND1 
501  C CD2 . HIS A 102 ? 0.54977 0.60259 0.59274 0.03247  -0.09896 -0.01108 679 HIS A CD2 
502  C CE1 . HIS A 102 ? 0.56730 0.65192 0.65981 0.05351  -0.11560 0.01402  679 HIS A CE1 
503  N NE2 . HIS A 102 ? 0.56217 0.64886 0.64816 0.04226  -0.10263 0.00001  679 HIS A NE2 
504  N N   . ILE A 103 ? 0.51077 0.47832 0.45854 0.00340  -0.09389 -0.00136 680 ILE A N   
505  C CA  . ILE A 103 ? 0.55615 0.50734 0.51212 -0.00023 -0.08177 0.00433  680 ILE A CA  
506  C C   . ILE A 103 ? 0.62690 0.56668 0.55458 0.00272  -0.07061 0.02190  680 ILE A C   
507  O O   . ILE A 103 ? 0.60452 0.54469 0.49377 0.00185  -0.07128 0.01842  680 ILE A O   
508  C CB  . ILE A 103 ? 0.52553 0.48179 0.48744 -0.00752 -0.07862 -0.00720 680 ILE A CB  
509  C CG1 . ILE A 103 ? 0.53155 0.49305 0.50452 -0.00693 -0.08901 -0.02259 680 ILE A CG1 
510  C CG2 . ILE A 103 ? 0.53112 0.48093 0.51815 -0.01104 -0.06727 0.00214  680 ILE A CG2 
511  C CD1 . ILE A 103 ? 0.48858 0.43502 0.48300 -0.00437 -0.09538 -0.02708 680 ILE A CD1 
512  N N   . ARG A 104 ? 0.67343 0.59749 0.61678 0.00611  -0.05843 0.04033  681 ARG A N   
513  C CA  . ARG A 104 ? 0.69765 0.60552 0.60517 0.01409  -0.04265 0.06362  681 ARG A CA  
514  C C   . ARG A 104 ? 0.69024 0.59268 0.56262 0.01334  -0.02423 0.06167  681 ARG A C   
515  O O   . ARG A 104 ? 0.76657 0.65439 0.57670 0.02152  -0.01938 0.06847  681 ARG A O   
516  C CB  . ARG A 104 ? 0.69430 0.58422 0.63992 0.01518  -0.02458 0.08684  681 ARG A CB  
517  C CG  . ARG A 104 ? 0.75178 0.62084 0.65922 0.02595  0.00118  0.11796  681 ARG A CG  
518  C CD  . ARG A 104 ? 0.73451 0.58509 0.69519 0.02350  0.02608  0.14519  681 ARG A CD  
519  N NE  . ARG A 104 ? 0.75086 0.59507 0.76599 0.01754  0.00864  0.13833  681 ARG A NE  
520  C CZ  . ARG A 104 ? 0.76993 0.59624 0.77597 0.02989  0.00121  0.15267  681 ARG A CZ  
521  N NH1 . ARG A 104 ? 0.78909 0.60821 0.73418 0.04826  0.00337  0.17684  681 ARG A NH1 
522  N NH2 . ARG A 104 ? 0.74658 0.55886 0.80222 0.02572  -0.01008 0.14205  681 ARG A NH2 
523  N N   . TRP A 105 ? 0.69305 0.60395 0.60060 0.00602  -0.01443 0.05234  682 TRP A N   
524  C CA  . TRP A 105 ? 0.71053 0.61278 0.59791 0.00983  0.01179  0.05460  682 TRP A CA  
525  C C   . TRP A 105 ? 0.72793 0.62391 0.56516 0.00942  0.00300  0.03275  682 TRP A C   
526  O O   . TRP A 105 ? 0.74025 0.61902 0.54988 0.01545  0.02670  0.03109  682 TRP A O   
527  C CB  . TRP A 105 ? 0.63832 0.55716 0.59619 0.00445  0.02332  0.05714  682 TRP A CB  
528  C CG  . TRP A 105 ? 0.67195 0.59941 0.69404 -0.00356 0.01722  0.06764  682 TRP A CG  
529  C CD1 . TRP A 105 ? 0.62598 0.56776 0.69388 -0.01405 -0.00963 0.05296  682 TRP A CD1 
530  C CD2 . TRP A 105 ? 0.65850 0.57345 0.70305 -0.00246 0.03835  0.09440  682 TRP A CD2 
531  N NE1 . TRP A 105 ? 0.60452 0.54124 0.72431 -0.02203 -0.01031 0.06372  682 TRP A NE1 
532  C CE2 . TRP A 105 ? 0.64027 0.56166 0.75396 -0.01601 0.02050  0.09148  682 TRP A CE2 
533  C CE3 . TRP A 105 ? 0.69045 0.58440 0.69800 0.00936  0.07200  0.12124  682 TRP A CE3 
534  C CZ2 . TRP A 105 ? 0.62607 0.53341 0.78585 -0.02135 0.03524  0.11466  682 TRP A CZ2 
535  C CZ3 . TRP A 105 ? 0.68454 0.56721 0.73367 0.00721  0.09057  0.14983  682 TRP A CZ3 
536  C CH2 . TRP A 105 ? 0.64959 0.53900 0.78074 -0.00964 0.07228  0.14650  682 TRP A CH2 
537  N N   . VAL A 106 ? 0.76568 0.67290 0.59681 0.00255  -0.02675 0.01642  683 VAL A N   
538  C CA  . VAL A 106 ? 0.75001 0.65221 0.55435 -0.00344 -0.03565 -0.00444 683 VAL A CA  
539  C C   . VAL A 106 ? 0.79930 0.68313 0.53620 -0.00245 -0.04768 -0.01035 683 VAL A C   
540  O O   . VAL A 106 ? 0.78650 0.68300 0.51736 -0.00210 -0.07123 -0.00506 683 VAL A O   
541  C CB  . VAL A 106 ? 0.72721 0.65312 0.56841 -0.01251 -0.05704 -0.01595 683 VAL A CB  
542  C CG1 . VAL A 106 ? 0.69776 0.61472 0.51969 -0.02127 -0.06205 -0.03341 683 VAL A CG1 
543  C CG2 . VAL A 106 ? 0.70200 0.64104 0.59304 -0.01183 -0.05160 -0.01221 683 VAL A CG2 
544  N N   . ASP A 107 ? 0.84725 0.69904 0.53167 -0.00034 -0.03332 -0.02191 684 ASP A N   
545  C CA  . ASP A 107 ? 0.88974 0.71572 0.49474 -0.00025 -0.04990 -0.03338 684 ASP A CA  
546  C C   . ASP A 107 ? 0.88303 0.70663 0.48346 -0.01839 -0.07882 -0.06151 684 ASP A C   
547  O O   . ASP A 107 ? 0.88811 0.71780 0.46277 -0.02626 -0.11500 -0.06964 684 ASP A O   
548  C CB  . ASP A 107 ? 0.91904 0.69856 0.45107 0.01504  -0.01444 -0.03248 684 ASP A CB  
549  C CG  . ASP A 107 ? 0.94802 0.72967 0.48896 0.03194  0.01924  0.00089  684 ASP A CG  
550  O OD1 . ASP A 107 ? 0.95265 0.75367 0.50831 0.03383  0.00442  0.02098  684 ASP A OD1 
551  O OD2 . ASP A 107 ? 0.96352 0.72696 0.50401 0.04396  0.06335  0.00941  684 ASP A OD2 
552  N N   . GLU A 108 ? 0.86777 0.68351 0.49877 -0.02549 -0.06482 -0.07390 685 GLU A N   
553  C CA  . GLU A 108 ? 0.86160 0.67096 0.50142 -0.04511 -0.08570 -0.09710 685 GLU A CA  
554  C C   . GLU A 108 ? 0.80530 0.63618 0.51695 -0.04947 -0.07378 -0.09085 685 GLU A C   
555  O O   . GLU A 108 ? 0.83255 0.66679 0.56782 -0.03652 -0.04790 -0.07698 685 GLU A O   
556  C CB  . GLU A 108 ? 0.88319 0.63271 0.45562 -0.04710 -0.07558 -0.12279 685 GLU A CB  
557  C CG  . GLU A 108 ? 1.02300 0.74060 0.50119 -0.04097 -0.08846 -0.13295 685 GLU A CG  
558  C CD  . GLU A 108 ? 1.09584 0.75025 0.50422 -0.04561 -0.08498 -0.16637 685 GLU A CD  
559  O OE1 . GLU A 108 ? 1.11637 0.74835 0.55448 -0.05783 -0.07699 -0.18325 685 GLU A OE1 
560  O OE2 . GLU A 108 ? 1.11343 0.74947 0.45443 -0.03474 -0.08643 -0.17084 685 GLU A OE2 
561  N N   . ILE A 109 ? 0.71813 0.56439 0.46555 -0.06751 -0.09324 -0.09915 686 ILE A N   
562  C CA  . ILE A 109 ? 0.69930 0.55991 0.50179 -0.07035 -0.08017 -0.09113 686 ILE A CA  
563  C C   . ILE A 109 ? 0.76058 0.59173 0.56754 -0.08894 -0.08134 -0.10770 686 ILE A C   
564  O O   . ILE A 109 ? 0.72153 0.55102 0.52557 -0.10853 -0.10764 -0.12355 686 ILE A O   
565  C CB  . ILE A 109 ? 0.65858 0.56912 0.51200 -0.07093 -0.09179 -0.07687 686 ILE A CB  
566  C CG1 . ILE A 109 ? 0.64045 0.56998 0.49227 -0.05414 -0.09047 -0.06282 686 ILE A CG1 
567  C CG2 . ILE A 109 ? 0.63170 0.55044 0.52411 -0.07046 -0.07499 -0.06729 686 ILE A CG2 
568  C CD1 . ILE A 109 ? 0.57447 0.54039 0.46951 -0.04990 -0.09498 -0.05216 686 ILE A CD1 
569  N N   . ILE A 110 ? 0.78572 0.59233 0.60367 -0.08323 -0.05513 -0.10309 687 ILE A N   
570  C CA  . ILE A 110 ? 0.80977 0.58576 0.64578 -0.09988 -0.04970 -0.11186 687 ILE A CA  
571  C C   . ILE A 110 ? 0.76378 0.57100 0.65340 -0.09797 -0.03864 -0.08775 687 ILE A C   
572  O O   . ILE A 110 ? 0.76839 0.57958 0.66140 -0.07800 -0.02040 -0.06965 687 ILE A O   
573  C CB  . ILE A 110 ? 0.81502 0.52844 0.61681 -0.09071 -0.02415 -0.12239 687 ILE A CB  
574  C CG1 . ILE A 110 ? 0.87938 0.55280 0.61088 -0.09024 -0.03074 -0.14921 687 ILE A CG1 
575  C CG2 . ILE A 110 ? 0.83145 0.50557 0.65903 -0.10774 -0.01508 -0.12807 687 ILE A CG2 
576  C CD1 . ILE A 110 ? 0.92261 0.54145 0.61385 -0.06702 0.00632  -0.15390 687 ILE A CD1 
577  N N   . SER A 111 ? 0.73558 0.56672 0.66699 -0.11764 -0.05011 -0.08610 688 SER A N   
578  C CA  . SER A 111 ? 0.72360 0.58706 0.69785 -0.11374 -0.03617 -0.06195 688 SER A CA  
579  C C   . SER A 111 ? 0.74057 0.59797 0.76418 -0.13887 -0.03083 -0.05960 688 SER A C   
580  O O   . SER A 111 ? 0.71570 0.59788 0.77505 -0.16069 -0.05288 -0.06941 688 SER A O   
581  C CB  . SER A 111 ? 0.72430 0.64091 0.71181 -0.10545 -0.04931 -0.05489 688 SER A CB  
582  O OG  . SER A 111 ? 0.71987 0.66473 0.74495 -0.10263 -0.03366 -0.03563 688 SER A OG  
583  N N   . PRO A 112 ? 0.72788 0.55454 0.76222 -0.13705 -0.00266 -0.04365 689 PRO A N   
584  C CA  . PRO A 112 ? 0.73263 0.53475 0.73369 -0.10992 0.01939  -0.02711 689 PRO A CA  
585  C C   . PRO A 112 ? 0.76384 0.51582 0.72858 -0.10402 0.02079  -0.04437 689 PRO A C   
586  O O   . PRO A 112 ? 0.77682 0.49051 0.73877 -0.12458 0.01416  -0.06826 689 PRO A O   
587  C CB  . PRO A 112 ? 0.77080 0.55532 0.80192 -0.11320 0.04808  -0.00094 689 PRO A CB  
588  C CG  . PRO A 112 ? 0.76661 0.53620 0.84543 -0.14978 0.04260  -0.01548 689 PRO A CG  
589  C CD  . PRO A 112 ? 0.73632 0.55099 0.82632 -0.16358 0.00823  -0.03752 689 PRO A CD  
590  N N   . CYS A 113 ? 0.79967 0.55086 0.73886 -0.07618 0.02918  -0.03358 690 CYS A N   
591  C CA  . CYS A 113 ? 0.81100 0.51436 0.72600 -0.06489 0.04168  -0.04338 690 CYS A CA  
592  C C   . CYS A 113 ? 0.84936 0.51229 0.77871 -0.05444 0.06794  -0.02245 690 CYS A C   
593  O O   . CYS A 113 ? 0.85434 0.53203 0.80345 -0.05167 0.07555  0.00411  690 CYS A O   
594  C CB  . CYS A 113 ? 0.79619 0.52391 0.69374 -0.04046 0.03943  -0.03898 690 CYS A CB  
595  S SG  . CYS A 113 ? 0.78066 0.54714 0.69694 -0.01465 0.04074  -0.00411 690 CYS A SG  
596  N N   . PRO A 114 ? 0.88083 0.48711 0.79703 -0.04595 0.08578  -0.03187 691 PRO A N   
597  C CA  . PRO A 114 ? 0.92225 0.48935 0.85519 -0.02927 0.11231  -0.00588 691 PRO A CA  
598  C C   . PRO A 114 ? 0.91263 0.51971 0.85187 0.00492  0.11316  0.02777  691 PRO A C   
599  O O   . PRO A 114 ? 0.86730 0.51329 0.80045 0.01772  0.10066  0.02415  691 PRO A O   
600  C CB  . PRO A 114 ? 0.94587 0.43986 0.85979 -0.02538 0.13171  -0.03006 691 PRO A CB  
601  C CG  . PRO A 114 ? 0.97968 0.46718 0.86097 -0.05176 0.11072  -0.07315 691 PRO A CG  
602  C CD  . PRO A 114 ? 0.88499 0.45065 0.76509 -0.05073 0.08569  -0.06701 691 PRO A CD  
603  N N   . TRP A 115 ? 0.95798 0.55502 0.91091 0.01869  0.12603  0.06257  692 TRP A N   
604  C CA  . TRP A 115 ? 0.94831 0.58226 0.90361 0.05134  0.11863  0.09565  692 TRP A CA  
605  C C   . TRP A 115 ? 0.95053 0.56993 0.92189 0.08043  0.12966  0.10194  692 TRP A C   
606  O O   . TRP A 115 ? 0.89687 0.56367 0.88157 0.10217  0.11318  0.11746  692 TRP A O   
607  C CB  . TRP A 115 ? 0.96819 0.59183 0.92115 0.06159  0.12885  0.13489  692 TRP A CB  
608  C CG  . TRP A 115 ? 0.95062 0.61702 0.89197 0.09288  0.10937  0.16625  692 TRP A CG  
609  C CD1 . TRP A 115 ? 0.94927 0.60662 0.90115 0.12660  0.11188  0.19946  692 TRP A CD1 
610  C CD2 . TRP A 115 ? 0.92029 0.64286 0.83699 0.09357  0.07996  0.16531  692 TRP A CD2 
611  N NE1 . TRP A 115 ? 0.96077 0.66918 0.89526 0.14577  0.07978  0.21836  692 TRP A NE1 
612  C CE2 . TRP A 115 ? 0.92831 0.67251 0.83720 0.12515  0.06076  0.19508  692 TRP A CE2 
613  C CE3 . TRP A 115 ? 0.90777 0.66161 0.80926 0.07195  0.06698  0.14168  692 TRP A CE3 
614  C CZ2 . TRP A 115 ? 0.94600 0.73571 0.82447 0.13220  0.02673  0.19656  692 TRP A CZ2 
615  C CZ3 . TRP A 115 ? 0.90439 0.69992 0.77799 0.08191  0.04012  0.14455  692 TRP A CZ3 
616  C CH2 . TRP A 115 ? 0.93786 0.74811 0.79630 0.11003  0.01912  0.16913  692 TRP A CH2 
617  N N   . VAL A 116 ? 1.02649 0.58068 1.00156 0.08161  0.15771  0.08956  693 VAL A N   
618  C CA  . VAL A 116 ? 1.02424 0.56045 1.01737 0.11227  0.17734  0.09379  693 VAL A CA  
619  C C   . VAL A 116 ? 1.05184 0.55253 1.01944 0.09950  0.19092  0.04997  693 VAL A C   
620  O O   . VAL A 116 ? 1.06531 0.50692 1.00629 0.07473  0.19921  0.02082  693 VAL A O   
621  C CB  . VAL A 116 ? 1.07445 0.55195 1.08788 0.13715  0.20669  0.12230  693 VAL A CB  
622  C CG1 . VAL A 116 ? 1.03360 0.51348 1.08094 0.17750  0.22520  0.13664  693 VAL A CG1 
623  C CG2 . VAL A 116 ? 1.06967 0.56652 1.08818 0.14514  0.19514  0.16580  693 VAL A CG2 
624  N N   . VAL A 117 ? 0.96368 0.49863 0.93898 0.11648  0.19292  0.04649  694 VAL A N   
625  C CA  . VAL A 117 ? 0.98332 0.48056 0.92337 0.11399  0.21317  0.01092  694 VAL A CA  
626  C C   . VAL A 117 ? 1.04116 0.45813 0.97931 0.13812  0.25664  0.00679  694 VAL A C   
627  O O   . VAL A 117 ? 1.00760 0.42992 0.99425 0.17315  0.27607  0.04037  694 VAL A O   
628  C CB  . VAL A 117 ? 0.97437 0.53385 0.93021 0.12680  0.20947  0.01653  694 VAL A CB  
629  C CG1 . VAL A 117 ? 0.97632 0.49183 0.88583 0.13134  0.23907  -0.01407 694 VAL A CG1 
630  C CG2 . VAL A 117 ? 0.92645 0.55075 0.87911 0.10168  0.16789  0.01582  694 VAL A CG2 
631  N N   . THR A 118 ? 1.17050 0.51196 1.05264 0.12025  0.26947  -0.03520 695 THR A N   
632  C CA  . THR A 118 ? 1.22670 0.51304 1.09599 0.13094  0.29720  -0.04790 695 THR A CA  
633  C C   . THR A 118 ? 1.27961 0.54274 1.08947 0.13444  0.31329  -0.08258 695 THR A C   
634  O O   . THR A 118 ? 1.25324 0.53127 1.01946 0.11702  0.29500  -0.10450 695 THR A O   
635  C CB  . THR A 118 ? 1.30462 0.53515 1.16067 0.09976  0.28586  -0.06632 695 THR A CB  
636  O OG1 . THR A 118 ? 1.32590 0.53147 1.12429 0.06422  0.26299  -0.11307 695 THR A OG1 
637  C CG2 . THR A 118 ? 1.25005 0.50957 1.14947 0.08777  0.26693  -0.03314 695 THR A CG2 
638  N N   . PRO A 119 ? 0.95243 0.71124 0.97697 0.12242  0.14842  -0.02519 696 PRO A N   
639  C CA  . PRO A 119 ? 0.94493 0.65560 0.92804 0.12613  0.14911  -0.06211 696 PRO A CA  
640  C C   . PRO A 119 ? 0.96000 0.63646 0.93035 0.11773  0.13146  -0.09426 696 PRO A C   
641  O O   . PRO A 119 ? 0.96446 0.61533 0.87962 0.11635  0.12261  -0.12309 696 PRO A O   
642  C CB  . PRO A 119 ? 0.97061 0.65840 0.98932 0.13631  0.17384  -0.05464 696 PRO A CB  
643  C CG  . PRO A 119 ? 0.92611 0.65603 1.01221 0.13610  0.18232  -0.00789 696 PRO A CG  
644  C CD  . PRO A 119 ? 0.97446 0.74429 1.06528 0.12588  0.16496  0.00721  696 PRO A CD  
645  N N   . GLU A 120 ? 1.00045 0.68010 1.02379 0.11011  0.12329  -0.08482 697 GLU A N   
646  C CA  . GLU A 120 ? 1.03267 0.68927 1.05326 0.09727  0.09860  -0.10634 697 GLU A CA  
647  C C   . GLU A 120 ? 1.02323 0.70604 1.00658 0.09435  0.08320  -0.10785 697 GLU A C   
648  O O   . GLU A 120 ? 1.04269 0.70290 0.99523 0.08513  0.06241  -0.13072 697 GLU A O   
649  C CB  . GLU A 120 ? 1.00104 0.66840 1.10171 0.08931  0.09199  -0.08345 697 GLU A CB  
650  C CG  . GLU A 120 ? 1.08211 0.71189 1.23399 0.08914  0.10198  -0.08526 697 GLU A CG  
651  C CD  . GLU A 120 ? 1.08423 0.73625 1.26219 0.10378  0.13199  -0.05750 697 GLU A CD  
652  O OE1 . GLU A 120 ? 1.06119 0.77239 1.24938 0.10772  0.13843  -0.02108 697 GLU A OE1 
653  O OE2 . GLU A 120 ? 1.09833 0.70769 1.28480 0.11113  0.14940  -0.07154 697 GLU A OE2 
654  N N   . PHE A 121 ? 0.90294 0.63207 0.88953 0.10136  0.09273  -0.08278 698 PHE A N   
655  C CA  . PHE A 121 ? 0.91335 0.66208 0.86903 0.10224  0.08423  -0.08528 698 PHE A CA  
656  C C   . PHE A 121 ? 0.88623 0.61294 0.78058 0.10316  0.07793  -0.10973 698 PHE A C   
657  O O   . PHE A 121 ? 0.91120 0.63334 0.78750 0.09832  0.06146  -0.12062 698 PHE A O   
658  C CB  . PHE A 121 ? 0.86659 0.65794 0.82362 0.11045  0.09955  -0.06071 698 PHE A CB  
659  C CG  . PHE A 121 ? 0.86525 0.67016 0.79474 0.11469  0.09715  -0.06544 698 PHE A CG  
660  C CD1 . PHE A 121 ? 0.86238 0.68692 0.82684 0.11664  0.09759  -0.05284 698 PHE A CD1 
661  C CD2 . PHE A 121 ? 0.86207 0.66052 0.73982 0.11797  0.09676  -0.07862 698 PHE A CD2 
662  C CE1 . PHE A 121 ? 0.85118 0.68495 0.79792 0.12436  0.10172  -0.05626 698 PHE A CE1 
663  C CE2 . PHE A 121 ? 0.81920 0.62356 0.67824 0.12314  0.09675  -0.08437 698 PHE A CE2 
664  C CZ  . PHE A 121 ? 0.81417 0.63460 0.70690 0.12770  0.10146  -0.07447 698 PHE A CZ  
665  N N   . LEU A 122 ? 0.91222 0.62952 0.78224 0.10939  0.09113  -0.11230 699 LEU A N   
666  C CA  . LEU A 122 ? 0.93831 0.64038 0.75649 0.11171  0.08813  -0.12839 699 LEU A CA  
667  C C   . LEU A 122 ? 0.99513 0.65978 0.78628 0.10495  0.07575  -0.15502 699 LEU A C   
668  O O   . LEU A 122 ? 0.97324 0.63510 0.72727 0.10130  0.06176  -0.16494 699 LEU A O   
669  C CB  . LEU A 122 ? 0.92191 0.62736 0.73397 0.12055  0.10722  -0.11660 699 LEU A CB  
670  C CG  . LEU A 122 ? 0.93034 0.67286 0.76002 0.12138  0.11183  -0.08915 699 LEU A CG  
671  C CD1 . LEU A 122 ? 0.94060 0.69129 0.76981 0.12591  0.12310  -0.07072 699 LEU A CD1 
672  C CD2 . LEU A 122 ? 0.87540 0.63417 0.68199 0.11856  0.09921  -0.09183 699 LEU A CD2 
673  N N   . GLU A 123 ? 1.24442 0.87874 1.05312 0.10137  0.07841  -0.16639 700 GLU A N   
674  C CA  . GLU A 123 ? 1.30693 0.89810 1.07850 0.09097  0.06262  -0.19693 700 GLU A CA  
675  C C   . GLU A 123 ? 1.30972 0.90986 1.08832 0.07376  0.02856  -0.19704 700 GLU A C   
676  O O   . GLU A 123 ? 1.35021 0.93469 1.08138 0.06344  0.00816  -0.21346 700 GLU A O   
677  C CB  . GLU A 123 ? 1.30664 0.85455 1.09979 0.08990  0.07240  -0.21228 700 GLU A CB  
678  C CG  . GLU A 123 ? 1.35816 0.88022 1.12191 0.10697  0.10535  -0.22291 700 GLU A CG  
679  C CD  . GLU A 123 ? 1.41973 0.92167 1.09951 0.10840  0.10386  -0.24694 700 GLU A CD  
680  O OE1 . GLU A 123 ? 1.46753 0.94126 1.10393 0.09194  0.07715  -0.27309 700 GLU A OE1 
681  O OE2 . GLU A 123 ? 1.39277 0.91268 1.05226 0.12393  0.12618  -0.23443 700 GLU A OE2 
682  N N   . LYS A 124 ? 0.96624 0.59607 0.80653 0.07069  0.02285  -0.17366 701 LYS A N   
683  C CA  . LYS A 124 ? 0.99508 0.63560 0.86096 0.05497  -0.00757 -0.16623 701 LYS A CA  
684  C C   . LYS A 124 ? 1.00858 0.67424 0.84973 0.05647  -0.01699 -0.15927 701 LYS A C   
685  O O   . LYS A 124 ? 1.03343 0.69827 0.87287 0.04101  -0.04656 -0.15875 701 LYS A O   
686  C CB  . LYS A 124 ? 0.98027 0.65215 0.92513 0.05599  -0.00347 -0.13624 701 LYS A CB  
687  C CG  . LYS A 124 ? 1.00284 0.70196 0.99013 0.04638  -0.02597 -0.11516 701 LYS A CG  
688  C CD  . LYS A 124 ? 0.98167 0.72330 1.04116 0.05613  -0.00852 -0.07934 701 LYS A CD  
689  C CE  . LYS A 124 ? 1.00352 0.75736 1.13553 0.04019  -0.03448 -0.05544 701 LYS A CE  
690  N NZ  . LYS A 124 ? 0.95322 0.76011 1.14594 0.05543  -0.01253 -0.01565 701 LYS A NZ  
691  N N   . TYR A 125 ? 0.95120 0.63875 0.77801 0.07289  0.00487  -0.15135 702 TYR A N   
692  C CA  . TYR A 125 ? 0.94524 0.65282 0.75838 0.07603  -0.00143 -0.14394 702 TYR A CA  
693  C C   . TYR A 125 ? 0.92893 0.62352 0.68242 0.07917  0.00070  -0.15671 702 TYR A C   
694  O O   . TYR A 125 ? 0.89923 0.61020 0.64577 0.08389  -0.00077 -0.14804 702 TYR A O   
695  C CB  . TYR A 125 ? 0.90226 0.63974 0.74375 0.09059  0.01877  -0.12652 702 TYR A CB  
696  C CG  . TYR A 125 ? 0.89430 0.65385 0.79623 0.09113  0.02108  -0.10687 702 TYR A CG  
697  C CD1 . TYR A 125 ? 0.90900 0.68583 0.84836 0.08869  0.00896  -0.09141 702 TYR A CD1 
698  C CD2 . TYR A 125 ? 0.88404 0.65205 0.81400 0.09497  0.03700  -0.09709 702 TYR A CD2 
699  C CE1 . TYR A 125 ? 0.90952 0.71119 0.91228 0.09184  0.01551  -0.06706 702 TYR A CE1 
700  C CE2 . TYR A 125 ? 0.85800 0.65201 0.84712 0.09700  0.04204  -0.07297 702 TYR A CE2 
701  C CZ  . TYR A 125 ? 0.87186 0.68233 0.89711 0.09616  0.03251  -0.05824 702 TYR A CZ  
702  O OH  . TYR A 125 ? 0.86783 0.70868 0.95967 0.10081  0.04198  -0.02816 702 TYR A OH  
703  N N   . LYS A 126 ? 1.07387 0.73861 0.78917 0.07808  0.00671  -0.17527 703 LYS A N   
704  C CA  . LYS A 126 ? 1.06891 0.72280 0.72824 0.08397  0.01528  -0.18390 703 LYS A CA  
705  C C   . LYS A 126 ? 1.01234 0.69259 0.67801 0.09672  0.02929  -0.16595 703 LYS A C   
706  O O   . LYS A 126 ? 1.05226 0.74455 0.70059 0.09680  0.02115  -0.15826 703 LYS A O   
707  C CB  . LYS A 126 ? 1.14208 0.78765 0.75840 0.06990  -0.01109 -0.19218 703 LYS A CB  
708  C CG  . LYS A 126 ? 1.22140 0.83722 0.83077 0.05055  -0.03499 -0.21070 703 LYS A CG  
709  C CD  . LYS A 126 ? 1.27366 0.89312 0.85530 0.02898  -0.07388 -0.20892 703 LYS A CD  
710  C CE  . LYS A 126 ? 1.30512 0.92027 0.80878 0.03034  -0.07239 -0.21571 703 LYS A CE  
711  N NZ  . LYS A 126 ? 1.31133 0.89318 0.76198 0.04646  -0.03720 -0.23972 703 LYS A NZ  
712  N N   . ILE A 127 ? 1.05368 0.74280 0.74734 0.10525  0.04770  -0.15700 704 ILE A N   
713  C CA  . ILE A 127 ? 0.98697 0.69619 0.68678 0.11275  0.05622  -0.14137 704 ILE A CA  
714  C C   . ILE A 127 ? 1.00069 0.70541 0.68214 0.12055  0.07296  -0.13523 704 ILE A C   
715  O O   . ILE A 127 ? 1.00712 0.69924 0.69379 0.12538  0.09007  -0.13725 704 ILE A O   
716  C CB  . ILE A 127 ? 0.97537 0.69980 0.70779 0.11459  0.06383  -0.13178 704 ILE A CB  
717  C CG1 . ILE A 127 ? 0.98109 0.71612 0.73514 0.11214  0.05411  -0.13154 704 ILE A CG1 
718  C CG2 . ILE A 127 ? 0.93935 0.67658 0.66713 0.11809  0.07038  -0.11828 704 ILE A CG2 
719  C CD1 . ILE A 127 ? 0.93432 0.68414 0.71740 0.11475  0.06556  -0.12224 704 ILE A CD1 
720  N N   . ASP A 128 ? 0.94667 0.66272 0.61658 0.12280  0.06972  -0.12344 705 ASP A N   
721  C CA  . ASP A 128 ? 0.96648 0.68493 0.62888 0.13132  0.08677  -0.10905 705 ASP A CA  
722  C C   . ASP A 128 ? 0.94116 0.67719 0.63385 0.13158  0.09055  -0.08639 705 ASP A C   
723  O O   . ASP A 128 ? 0.92732 0.66740 0.63451 0.13838  0.10861  -0.06974 705 ASP A O   
724  C CB  . ASP A 128 ? 0.95988 0.68546 0.59901 0.13258  0.08045  -0.10086 705 ASP A CB  
725  C CG  . ASP A 128 ? 1.01001 0.72048 0.60743 0.12983  0.07524  -0.11960 705 ASP A CG  
726  O OD1 . ASP A 128 ? 1.07278 0.75940 0.64459 0.13414  0.09108  -0.13674 705 ASP A OD1 
727  O OD2 . ASP A 128 ? 0.99668 0.71703 0.58779 0.12202  0.05380  -0.11700 705 ASP A OD2 
728  N N   . TYR A 129 ? 0.86429 0.60957 0.56647 0.12381  0.07385  -0.08437 706 TYR A N   
729  C CA  . TYR A 129 ? 0.89701 0.65566 0.61611 0.11868  0.07066  -0.06583 706 TYR A CA  
730  C C   . TYR A 129 ? 0.86897 0.62823 0.58582 0.11247  0.06249  -0.07727 706 TYR A C   
731  O O   . TYR A 129 ? 0.83995 0.59113 0.54933 0.11303  0.05659  -0.09489 706 TYR A O   
732  C CB  . TYR A 129 ? 0.91472 0.68052 0.63794 0.11401  0.05717  -0.04773 706 TYR A CB  
733  C CG  . TYR A 129 ? 0.85812 0.63039 0.58588 0.12280  0.06937  -0.02935 706 TYR A CG  
734  C CD1 . TYR A 129 ? 0.87697 0.64486 0.58576 0.12749  0.06839  -0.03689 706 TYR A CD1 
735  C CD2 . TYR A 129 ? 0.88254 0.66912 0.63557 0.12719  0.08375  0.00014  706 TYR A CD2 
736  C CE1 . TYR A 129 ? 0.89242 0.66899 0.59655 0.13751  0.08399  -0.01858 706 TYR A CE1 
737  C CE2 . TYR A 129 ? 0.92065 0.71488 0.67854 0.13961  0.10258  0.01968  706 TYR A CE2 
738  C CZ  . TYR A 129 ? 0.88985 0.67831 0.61761 0.14530  0.10387  0.00832  706 TYR A CZ  
739  O OH  . TYR A 129 ? 0.91098 0.70944 0.63488 0.15929  0.12647  0.02869  706 TYR A OH  
740  N N   . VAL A 130 ? 0.88012 0.65221 0.60534 0.10725  0.06401  -0.06297 707 VAL A N   
741  C CA  . VAL A 130 ? 0.83075 0.60665 0.54210 0.10104  0.05801  -0.06963 707 VAL A CA  
742  C C   . VAL A 130 ? 0.91262 0.68719 0.60736 0.08866  0.03871  -0.06186 707 VAL A C   
743  O O   . VAL A 130 ? 0.95450 0.74133 0.66501 0.08169  0.03192  -0.03567 707 VAL A O   
744  C CB  . VAL A 130 ? 0.86590 0.66058 0.59365 0.10058  0.06974  -0.05531 707 VAL A CB  
745  C CG1 . VAL A 130 ? 0.86065 0.66577 0.56314 0.09260  0.06394  -0.05463 707 VAL A CG1 
746  C CG2 . VAL A 130 ? 0.81368 0.60370 0.56114 0.10955  0.08361  -0.06608 707 VAL A CG2 
747  N N   . ALA A 131 ? 0.88466 0.64174 0.55213 0.08571  0.02962  -0.08335 708 ALA A N   
748  C CA  . ALA A 131 ? 0.97919 0.72345 0.62452 0.07090  0.00716  -0.08359 708 ALA A CA  
749  C C   . ALA A 131 ? 0.99686 0.73962 0.60052 0.06332  0.00621  -0.09397 708 ALA A C   
750  O O   . ALA A 131 ? 1.00644 0.73777 0.58973 0.07376  0.02152  -0.11794 708 ALA A O   
751  C CB  . ALA A 131 ? 0.96956 0.68552 0.61370 0.07328  -0.00214 -0.10285 708 ALA A CB  
752  N N   . HIS A 132 ? 1.16556 0.92353 0.75778 0.04541  -0.01062 -0.07179 709 HIS A N   
753  C CA  . HIS A 132 ? 1.22390 0.98444 0.76441 0.03369  -0.01601 -0.07714 709 HIS A CA  
754  C C   . HIS A 132 ? 1.27883 1.02796 0.79224 0.00625  -0.05358 -0.06886 709 HIS A C   
755  O O   . HIS A 132 ? 1.25783 1.00360 0.80659 -0.00189 -0.07283 -0.05232 709 HIS A O   
756  C CB  . HIS A 132 ? 1.21798 1.02085 0.77610 0.03528  -0.00158 -0.04771 709 HIS A CB  
757  N N   . ASP A 133 ? 1.36055 1.10438 0.80950 -0.00956 -0.06562 -0.07836 710 ASP A N   
758  C CA  . ASP A 133 ? 1.43335 1.16014 0.84769 -0.04144 -0.10904 -0.07394 710 ASP A CA  
759  C C   . ASP A 133 ? 1.42500 1.20095 0.86369 -0.06371 -0.13126 -0.01951 710 ASP A C   
760  O O   . ASP A 133 ? 1.42840 1.21289 0.90750 -0.08259 -0.16197 0.01252  710 ASP A O   
761  C CB  . ASP A 133 ? 1.49678 1.17978 0.81300 -0.05046 -0.11514 -0.11998 710 ASP A CB  
762  C CG  . ASP A 133 ? 1.55179 1.25418 0.82417 -0.03460 -0.08041 -0.12932 710 ASP A CG  
763  O OD1 . ASP A 133 ? 1.50649 1.22083 0.81813 -0.00481 -0.04183 -0.13363 710 ASP A OD1 
764  O OD2 . ASP A 133 ? 1.63490 1.34237 0.83362 -0.05332 -0.09333 -0.12959 710 ASP A OD2 
765  N N   . ILE A 145 ? 1.13065 1.26508 1.02916 0.01499  0.05433  0.28808  740 ILE A N   
766  C CA  . ILE A 145 ? 1.12386 1.23417 1.01195 0.00711  0.03533  0.27929  740 ILE A CA  
767  C C   . ILE A 145 ? 1.14376 1.20423 1.05490 0.03044  0.05664  0.23733  740 ILE A C   
768  O O   . ILE A 145 ? 1.13775 1.18754 1.09910 0.04919  0.08316  0.23069  740 ILE A O   
769  C CB  . ILE A 145 ? 1.06868 1.21974 1.02800 -0.00776 0.02070  0.34581  740 ILE A CB  
770  C CG1 . ILE A 145 ? 1.07177 1.20840 1.00796 -0.02349 -0.00834 0.34497  740 ILE A CG1 
771  C CG2 . ILE A 145 ? 1.02967 1.18057 1.09873 0.01441  0.05320  0.36939  740 ILE A CG2 
772  C CD1 . ILE A 145 ? 1.02998 1.21476 1.02836 -0.04462 -0.03138 0.41719  740 ILE A CD1 
773  N N   . TYR A 146 ? 1.12335 1.15270 0.99557 0.02707  0.04221  0.20989  741 TYR A N   
774  C CA  . TYR A 146 ? 1.08215 1.06949 0.96755 0.04624  0.05858  0.17534  741 TYR A CA  
775  C C   . TYR A 146 ? 1.03233 1.02401 0.98732 0.05262  0.06799  0.20785  741 TYR A C   
776  O O   . TYR A 146 ? 1.00877 0.97300 0.95855 0.06146  0.07206  0.18856  741 TYR A O   
777  C CB  . TYR A 146 ? 1.08839 1.04228 0.90222 0.04168  0.04140  0.13208  741 TYR A CB  
778  N N   . ALA A 147 ? 1.06499 0.85603 0.82267 0.18464  -0.03695 0.13221  742 ALA A N   
779  C CA  . ALA A 147 ? 1.00563 0.82275 0.81190 0.18233  -0.05658 0.12449  742 ALA A CA  
780  C C   . ALA A 147 ? 0.98744 0.82169 0.86042 0.14290  -0.02961 0.12770  742 ALA A C   
781  O O   . ALA A 147 ? 0.90553 0.77815 0.83994 0.12384  -0.04575 0.11254  742 ALA A O   
782  C CB  . ALA A 147 ? 1.01053 0.78969 0.75944 0.22622  -0.05846 0.14064  742 ALA A CB  
783  N N   . TRP A 148 ? 1.05049 0.85592 0.91514 0.13264  0.01395  0.14388  743 TRP A N   
784  C CA  . TRP A 148 ? 1.00767 0.83408 0.93680 0.10149  0.03585  0.13929  743 TRP A CA  
785  C C   . TRP A 148 ? 0.96628 0.83660 0.94046 0.07568  0.02378  0.11934  743 TRP A C   
786  O O   . TRP A 148 ? 0.93134 0.82927 0.95567 0.05977  0.02348  0.11059  743 TRP A O   
787  C CB  . TRP A 148 ? 1.03957 0.83083 0.96484 0.09572  0.08654  0.14999  743 TRP A CB  
788  C CG  . TRP A 148 ? 1.01127 0.79363 0.92250 0.08716  0.10661  0.14495  743 TRP A CG  
789  C CD1 . TRP A 148 ? 1.08100 0.82232 0.92566 0.10810  0.11711  0.15791  743 TRP A CD1 
790  C CD2 . TRP A 148 ? 0.97850 0.79390 0.94182 0.05959  0.11794  0.12334  743 TRP A CD2 
791  N NE1 . TRP A 148 ? 1.05658 0.80339 0.91535 0.08996  0.13676  0.14653  743 TRP A NE1 
792  C CE2 . TRP A 148 ? 1.00777 0.80195 0.94034 0.06115  0.13574  0.12360  743 TRP A CE2 
793  C CE3 . TRP A 148 ? 0.96801 0.82889 0.99644 0.03918  0.11321  0.10180  743 TRP A CE3 
794  C CZ2 . TRP A 148 ? 1.01527 0.83616 0.98721 0.04108  0.14709  0.10077  743 TRP A CZ2 
795  C CZ3 . TRP A 148 ? 0.95958 0.84641 1.01910 0.02510  0.12217  0.07855  743 TRP A CZ3 
796  C CH2 . TRP A 148 ? 0.95039 0.81916 0.98513 0.02513  0.13800  0.07710  743 TRP A CH2 
797  N N   . LEU A 149 ? 0.80193 0.67512 0.75319 0.07547  0.01576  0.11301  744 LEU A N   
798  C CA  . LEU A 149 ? 0.76537 0.67207 0.74934 0.05745  0.00761  0.09699  744 LEU A CA  
799  C C   . LEU A 149 ? 0.72415 0.65501 0.74119 0.05626  -0.01776 0.08738  744 LEU A C   
800  O O   . LEU A 149 ? 0.71284 0.66400 0.76600 0.04388  -0.01319 0.07997  744 LEU A O   
801  C CB  . LEU A 149 ? 0.78348 0.68403 0.73425 0.05924  0.00574  0.09321  744 LEU A CB  
802  C CG  . LEU A 149 ? 0.79419 0.67765 0.73109 0.05344  0.03734  0.09574  744 LEU A CG  
803  C CD1 . LEU A 149 ? 0.81070 0.67725 0.70108 0.06179  0.03444  0.09711  744 LEU A CD1 
804  C CD2 . LEU A 149 ? 0.73613 0.65086 0.71843 0.03613  0.04754  0.07902  744 LEU A CD2 
805  N N   . LYS A 150 ? 0.72849 0.65617 0.73444 0.07279  -0.04272 0.08429  745 LYS A N   
806  C CA  . LYS A 150 ? 0.70610 0.65818 0.76027 0.06968  -0.06270 0.06786  745 LYS A CA  
807  C C   . LYS A 150 ? 0.70713 0.66608 0.79927 0.06336  -0.05563 0.07253  745 LYS A C   
808  O O   . LYS A 150 ? 0.67201 0.64689 0.81020 0.05058  -0.05040 0.06449  745 LYS A O   
809  C CB  . LYS A 150 ? 0.73290 0.68856 0.77583 0.09272  -0.09613 0.05223  745 LYS A CB  
810  C CG  . LYS A 150 ? 0.81195 0.75230 0.79620 0.10891  -0.10395 0.05179  745 LYS A CG  
811  C CD  . LYS A 150 ? 0.82810 0.79135 0.83101 0.12111  -0.13776 0.01937  745 LYS A CD  
812  C CE  . LYS A 150 ? 0.86092 0.80709 0.79490 0.14460  -0.14899 0.01854  745 LYS A CE  
813  N NZ  . LYS A 150 ? 0.88066 0.83210 0.78503 0.18775  -0.19027 -0.00335 745 LYS A NZ  
814  N N   . ARG A 151 ? 0.86542 0.80675 0.93574 0.07388  -0.04978 0.08715  746 ARG A N   
815  C CA  . ARG A 151 ? 0.83627 0.78230 0.94047 0.06808  -0.04111 0.09241  746 ARG A CA  
816  C C   . ARG A 151 ? 0.82656 0.78662 0.96164 0.04777  -0.01905 0.09065  746 ARG A C   
817  O O   . ARG A 151 ? 0.81167 0.78423 0.98481 0.04167  -0.01650 0.08792  746 ARG A O   
818  C CB  . ARG A 151 ? 0.86645 0.78278 0.93680 0.08252  -0.02761 0.11060  746 ARG A CB  
819  C CG  . ARG A 151 ? 0.91618 0.82761 0.98732 0.10307  -0.04605 0.11296  746 ARG A CG  
820  C CD  . ARG A 151 ? 0.98306 0.85577 0.98253 0.13916  -0.04898 0.12723  746 ARG A CD  
821  N NE  . ARG A 151 ? 1.07556 0.90786 1.04175 0.13833  -0.00571 0.14954  746 ARG A NE  
822  C CZ  . ARG A 151 ? 1.09660 0.88176 0.99049 0.16704  0.00954  0.16677  746 ARG A CZ  
823  N NH1 . ARG A 151 ? 1.18641 0.95990 1.02256 0.20617  -0.02134 0.16518  746 ARG A NH1 
824  N NH2 . ARG A 151 ? 1.02575 0.77383 0.90684 0.15918  0.05890  0.18257  746 ARG A NH2 
825  N N   . ALA A 152 ? 0.64991 0.60845 0.76717 0.04153  -0.00392 0.08982  747 ALA A N   
826  C CA  . ALA A 152 ? 0.64374 0.61924 0.78282 0.03223  0.01163  0.08191  747 ALA A CA  
827  C C   . ALA A 152 ? 0.64369 0.62988 0.78826 0.03172  0.00820  0.07434  747 ALA A C   
828  O O   . ALA A 152 ? 0.62439 0.62145 0.77391 0.03390  0.01927  0.06780  747 ALA A O   
829  C CB  . ALA A 152 ? 0.63695 0.60984 0.76355 0.02916  0.02996  0.07720  747 ALA A CB  
830  N N   . GLY A 153 ? 0.64871 0.63060 0.79332 0.03285  -0.00491 0.07243  748 GLY A N   
831  C CA  . GLY A 153 ? 0.62814 0.61131 0.78147 0.03204  0.00206  0.06604  748 GLY A CA  
832  C C   . GLY A 153 ? 0.65951 0.64088 0.78017 0.03426  0.00966  0.06426  748 GLY A C   
833  O O   . GLY A 153 ? 0.65028 0.62766 0.76880 0.03901  0.02293  0.06220  748 GLY A O   
834  N N   . LYS A 154 ? 0.78768 0.76714 0.88102 0.03350  0.00553  0.06560  749 LYS A N   
835  C CA  . LYS A 154 ? 0.80587 0.78631 0.87298 0.03498  0.01250  0.06102  749 LYS A CA  
836  C C   . LYS A 154 ? 0.84151 0.81159 0.88499 0.03402  0.00279  0.06088  749 LYS A C   
837  O O   . LYS A 154 ? 0.84798 0.81613 0.86723 0.03411  0.00806  0.05830  749 LYS A O   
838  C CB  . LYS A 154 ? 0.79170 0.77820 0.85698 0.03374  0.02257  0.05669  749 LYS A CB  
839  C CG  . LYS A 154 ? 0.77801 0.78417 0.86622 0.03948  0.03009  0.04575  749 LYS A CG  
840  C CD  . LYS A 154 ? 0.77546 0.79331 0.88361 0.03587  0.04132  0.03155  749 LYS A CD  
841  C CE  . LYS A 154 ? 0.82302 0.87064 0.95357 0.04842  0.04243  0.00864  749 LYS A CE  
842  N NZ  . LYS A 154 ? 0.84083 0.88951 0.94709 0.06716  0.03618  0.01180  749 LYS A NZ  
843  N N   . PHE A 155 ? 0.86897 0.83575 0.92349 0.03488  -0.01259 0.05866  750 PHE A N   
844  C CA  . PHE A 155 ? 0.90106 0.86248 0.93550 0.03858  -0.02697 0.05232  750 PHE A CA  
845  C C   . PHE A 155 ? 0.90162 0.86808 0.96492 0.03438  -0.02585 0.03885  750 PHE A C   
846  O O   . PHE A 155 ? 0.88807 0.85945 0.99694 0.03134  -0.02362 0.03105  750 PHE A O   
847  C CB  . PHE A 155 ? 0.92912 0.88634 0.95447 0.05097  -0.04959 0.05079  750 PHE A CB  
848  C CG  . PHE A 155 ? 0.98605 0.93842 0.98017 0.06334  -0.06825 0.04115  750 PHE A CG  
849  C CD1 . PHE A 155 ? 0.99504 0.96407 1.02277 0.06689  -0.08947 0.01631  750 PHE A CD1 
850  C CD2 . PHE A 155 ? 1.04106 0.97173 0.97690 0.07284  -0.06211 0.05316  750 PHE A CD2 
851  C CE1 . PHE A 155 ? 1.01919 0.98862 1.01963 0.08203  -0.11060 0.00138  750 PHE A CE1 
852  C CE2 . PHE A 155 ? 1.06930 0.99297 0.96783 0.08918  -0.07952 0.04437  750 PHE A CE2 
853  C CZ  . PHE A 155 ? 1.07020 1.01597 0.99942 0.09499  -0.10707 0.01735  750 PHE A CZ  
854  N N   . LYS A 156 ? 0.82148 0.78374 0.86303 0.03376  -0.02284 0.03502  751 LYS A N   
855  C CA  . LYS A 156 ? 0.84915 0.81084 0.91830 0.02976  -0.01610 0.02123  751 LYS A CA  
856  C C   . LYS A 156 ? 0.87687 0.84066 0.92720 0.03305  -0.03481 0.00838  751 LYS A C   
857  O O   . LYS A 156 ? 0.89195 0.84852 0.89531 0.03557  -0.03366 0.01701  751 LYS A O   
858  C CB  . LYS A 156 ? 0.81808 0.76855 0.87566 0.03036  0.01290  0.03012  751 LYS A CB  
859  C CG  . LYS A 156 ? 0.79856 0.74325 0.87070 0.03506  0.03352  0.03948  751 LYS A CG  
860  C CD  . LYS A 156 ? 0.79967 0.74007 0.93001 0.02945  0.04203  0.03044  751 LYS A CD  
861  C CE  . LYS A 156 ? 0.79287 0.70710 0.93186 0.03751  0.08241  0.03805  751 LYS A CE  
862  N NZ  . LYS A 156 ? 0.81054 0.71105 1.01193 0.02842  0.10395  0.02183  751 LYS A NZ  
863  N N   . ALA A 157 ? 0.80825 0.78392 0.89995 0.03452  -0.05181 -0.01669 752 ALA A N   
864  C CA  . ALA A 157 ? 0.84894 0.83136 0.92357 0.04378  -0.07597 -0.03551 752 ALA A CA  
865  C C   . ALA A 157 ? 0.83990 0.81688 0.92106 0.03459  -0.05856 -0.04286 752 ALA A C   
866  O O   . ALA A 157 ? 0.80816 0.77736 0.92791 0.02344  -0.02912 -0.04306 752 ALA A O   
867  C CB  . ALA A 157 ? 0.81509 0.82123 0.94049 0.05389  -0.10643 -0.07085 752 ALA A CB  
868  N N   . THR A 158 ? 0.95298 0.92857 0.99057 0.04270  -0.07343 -0.04712 753 THR A N   
869  C CA  . THR A 158 ? 0.95886 0.93164 1.00201 0.03621  -0.06276 -0.05854 753 THR A CA  
870  C C   . THR A 158 ? 0.98149 0.96862 1.01542 0.05091  -0.09669 -0.08713 753 THR A C   
871  O O   . THR A 158 ? 1.01868 1.00944 1.01508 0.07193  -0.12567 -0.08897 753 THR A O   
872  C CB  . THR A 158 ? 0.91205 0.86613 0.89977 0.03261  -0.04099 -0.03147 753 THR A CB  
873  O OG1 . THR A 158 ? 0.98595 0.93286 0.91338 0.04250  -0.05248 -0.01534 753 THR A OG1 
874  C CG2 . THR A 158 ? 0.89133 0.83554 0.88954 0.02639  -0.01071 -0.01272 753 THR A CG2 
875  N N   . GLN A 159 ? 1.05012 1.04253 1.11381 0.04425  -0.09145 -0.10998 754 GLN A N   
876  C CA  . GLN A 159 ? 1.03321 1.04734 1.10897 0.05913  -0.12510 -0.14988 754 GLN A CA  
877  C C   . GLN A 159 ? 1.08560 1.08637 1.09321 0.06604  -0.12744 -0.14078 754 GLN A C   
878  O O   . GLN A 159 ? 1.11260 1.09580 1.10863 0.04998  -0.09672 -0.12157 754 GLN A O   
879  C CB  . GLN A 159 ? 0.98987 1.02462 1.17163 0.04527  -0.11631 -0.19439 754 GLN A CB  
880  C CG  . GLN A 159 ? 1.01198 1.07008 1.27566 0.04494  -0.12593 -0.22309 754 GLN A CG  
881  C CD  . GLN A 159 ? 0.96229 0.99786 1.24175 0.02788  -0.08730 -0.18904 754 GLN A CD  
882  O OE1 . GLN A 159 ? 0.97789 1.00810 1.21335 0.03562  -0.09667 -0.16166 754 GLN A OE1 
883  N NE2 . GLN A 159 ? 0.96071 0.97900 1.30055 0.00788  -0.04041 -0.19075 754 GLN A NE2 
884  N N   . ARG A 160 ? 1.06280 1.07035 1.02217 0.09462  -0.16381 -0.15600 755 ARG A N   
885  C CA  . ARG A 160 ? 1.11958 1.11630 1.02155 0.10484  -0.16858 -0.15644 755 ARG A CA  
886  C C   . ARG A 160 ? 1.09648 1.12097 1.06676 0.10010  -0.17947 -0.20537 755 ARG A C   
887  O O   . ARG A 160 ? 1.05095 1.10878 1.09813 0.10495  -0.20128 -0.25055 755 ARG A O   
888  C CB  . ARG A 160 ? 1.18004 1.16356 0.99087 0.14527  -0.19789 -0.15075 755 ARG A CB  
889  N N   . THR A 161 ? 1.09558 1.10794 1.04732 0.08957  -0.16204 -0.20033 756 THR A N   
890  C CA  . THR A 161 ? 1.11466 1.14958 1.12618 0.08531  -0.16877 -0.24650 756 THR A CA  
891  C C   . THR A 161 ? 1.18028 1.21700 1.11847 0.11650  -0.20213 -0.26080 756 THR A C   
892  O O   . THR A 161 ? 1.21989 1.22652 1.07999 0.11716  -0.18669 -0.22667 756 THR A O   
893  C CB  . THR A 161 ? 1.07532 1.09115 1.11861 0.05381  -0.12109 -0.23049 756 THR A CB  
894  O OG1 . THR A 161 ? 1.02087 1.03040 1.12886 0.03335  -0.08825 -0.22103 756 THR A OG1 
895  C CG2 . THR A 161 ? 1.04114 1.07453 1.14039 0.04937  -0.12308 -0.27616 756 THR A CG2 
896  N N   . GLU A 162 ? 1.43165 1.50393 1.39545 0.14561  -0.24754 -0.31449 757 GLU A N   
897  C CA  . GLU A 162 ? 1.48894 1.56059 1.37059 0.18598  -0.28230 -0.32983 757 GLU A CA  
898  C C   . GLU A 162 ? 1.48622 1.56877 1.40007 0.17342  -0.27629 -0.35892 757 GLU A C   
899  O O   . GLU A 162 ? 1.45321 1.55505 1.47417 0.14051  -0.25514 -0.38612 757 GLU A O   
900  C CB  . GLU A 162 ? 1.49743 1.60553 1.38175 0.23436  -0.34052 -0.38075 757 GLU A CB  
901  C CG  . GLU A 162 ? 1.59885 1.68068 1.39520 0.26646  -0.35143 -0.34333 757 GLU A CG  
902  C CD  . GLU A 162 ? 1.72383 1.75867 1.37131 0.30942  -0.35491 -0.30805 757 GLU A CD  
903  O OE1 . GLU A 162 ? 1.76006 1.80737 1.35794 0.36086  -0.39716 -0.34555 757 GLU A OE1 
904  O OE2 . GLU A 162 ? 1.71770 1.70193 1.30028 0.29401  -0.31286 -0.24549 757 GLU A OE2 
905  N N   . GLY A 163 ? 1.26013 1.32392 1.07799 0.20091  -0.28913 -0.35077 758 GLY A N   
906  C CA  . GLY A 163 ? 1.21361 1.29084 1.05167 0.19804  -0.29263 -0.38428 758 GLY A CA  
907  C C   . GLY A 163 ? 1.20019 1.24507 1.02858 0.15968  -0.24292 -0.34460 758 GLY A C   
908  O O   . GLY A 163 ? 1.15851 1.21022 0.99566 0.15782  -0.24359 -0.36855 758 GLY A O   
909  N N   . VAL A 164 ? 1.08817 1.10080 0.89883 0.13277  -0.20256 -0.28881 759 VAL A N   
910  C CA  . VAL A 164 ? 1.07479 1.06119 0.88052 0.10128  -0.15804 -0.25522 759 VAL A CA  
911  C C   . VAL A 164 ? 1.10727 1.05438 0.80540 0.11059  -0.14404 -0.20798 759 VAL A C   
912  O O   . VAL A 164 ? 1.08424 1.01122 0.77374 0.08791  -0.10917 -0.17867 759 VAL A O   
913  C CB  . VAL A 164 ? 1.05137 1.03233 0.92207 0.06852  -0.12056 -0.23412 759 VAL A CB  
914  C CG1 . VAL A 164 ? 1.00160 1.00684 0.98743 0.05109  -0.11108 -0.27777 759 VAL A CG1 
915  C CG2 . VAL A 164 ? 1.04819 1.02573 0.90306 0.07518  -0.12682 -0.21130 759 VAL A CG2 
916  N N   . SER A 165 ? 1.15650 1.08972 0.77414 0.14649  -0.16710 -0.20164 760 SER A N   
917  C CA  . SER A 165 ? 1.17655 1.06494 0.70291 0.15443  -0.14289 -0.15520 760 SER A CA  
918  C C   . SER A 165 ? 1.17676 1.04498 0.65696 0.15484  -0.12829 -0.15083 760 SER A C   
919  O O   . SER A 165 ? 1.18238 1.07098 0.68614 0.15680  -0.14443 -0.18473 760 SER A O   
920  C CB  . SER A 165 ? 1.23323 1.10128 0.68215 0.19830  -0.16318 -0.14709 760 SER A CB  
921  O OG  . SER A 165 ? 1.24027 1.09034 0.60670 0.23999  -0.18118 -0.15913 760 SER A OG  
922  N N   . THR A 166 ? 0.91340 1.13944 1.03108 0.18194  0.08222  0.23516  761 THR A N   
923  C CA  . THR A 166 ? 0.95515 1.12921 1.07986 0.16071  0.07588  0.20659  761 THR A CA  
924  C C   . THR A 166 ? 0.91835 1.14160 1.05006 0.13463  0.08213  0.21455  761 THR A C   
925  O O   . THR A 166 ? 0.96536 1.17016 1.08053 0.10275  0.07801  0.19703  761 THR A O   
926  C CB  . THR A 166 ? 0.95929 1.07075 1.10663 0.19235  0.07176  0.18831  761 THR A CB  
927  O OG1 . THR A 166 ? 0.93027 0.98685 1.06146 0.20774  0.06021  0.17250  761 THR A OG1 
928  C CG2 . THR A 166 ? 0.94382 1.02853 1.11136 0.17762  0.07171  0.17145  761 THR A CG2 
929  N N   . THR A 167 ? 0.74591 1.02901 0.89703 0.15105  0.09249  0.24081  762 THR A N   
930  C CA  . THR A 167 ? 0.72027 1.06234 0.87440 0.12819  0.09782  0.25274  762 THR A CA  
931  C C   . THR A 167 ? 0.71803 1.10814 0.84171 0.08206  0.08916  0.25908  762 THR A C   
932  O O   . THR A 167 ? 0.75086 1.14720 0.85513 0.04987  0.08472  0.24644  762 THR A O   
933  C CB  . THR A 167 ? 0.69628 1.09828 0.87858 0.15836  0.11112  0.28699  762 THR A CB  
934  O OG1 . THR A 167 ? 0.70677 1.14339 0.88713 0.18205  0.11540  0.31212  762 THR A OG1 
935  C CG2 . THR A 167 ? 0.68563 1.02932 0.89945 0.19115  0.11555  0.27839  762 THR A CG2 
936  N N   . ASP A 168 ? 0.79749 1.21895 0.91400 0.07738  0.08539  0.27853  763 ASP A N   
937  C CA  . ASP A 168 ? 0.80961 1.27347 0.90335 0.02622  0.07249  0.28845  763 ASP A CA  
938  C C   . ASP A 168 ? 0.86258 1.24230 0.92393 -0.01010 0.05909  0.24925  763 ASP A C   
939  O O   . ASP A 168 ? 0.90054 1.29443 0.93522 -0.05868 0.04578  0.24467  763 ASP A O   
940  C CB  . ASP A 168 ? 0.80183 1.30954 0.90011 0.03191  0.07295  0.32020  763 ASP A CB  
941  C CG  . ASP A 168 ? 0.78171 1.39052 0.90530 0.06433  0.08755  0.36658  763 ASP A CG  
942  O OD1 . ASP A 168 ? 0.76413 1.41859 0.90248 0.06776  0.08897  0.37471  763 ASP A OD1 
943  O OD2 . ASP A 168 ? 0.74834 1.38072 0.87833 0.09107  0.09241  0.38669  763 ASP A OD2 
944  N N   . LEU A 169 ? 0.74109 1.03072 0.80151 0.01303  0.06091  0.22127  764 LEU A N   
945  C CA  . LEU A 169 ? 0.79582 1.00085 0.82581 -0.01263 0.05173  0.18704  764 LEU A CA  
946  C C   . LEU A 169 ? 0.80681 0.98852 0.82079 -0.02057 0.05489  0.16135  764 LEU A C   
947  O O   . LEU A 169 ? 0.83496 0.97106 0.80852 -0.05357 0.04633  0.13773  764 LEU A O   
948  C CB  . LEU A 169 ? 0.77862 0.90608 0.81637 0.01930  0.05336  0.16987  764 LEU A CB  
949  C CG  . LEU A 169 ? 0.78189 0.91113 0.82073 0.02920  0.04981  0.18769  764 LEU A CG  
950  C CD1 . LEU A 169 ? 0.84773 0.88629 0.87502 0.03689  0.04483  0.16291  764 LEU A CD1 
951  C CD2 . LEU A 169 ? 0.74920 0.93779 0.77613 -0.01063 0.04275  0.21751  764 LEU A CD2 
952  N N   . ILE A 170 ? 0.85776 1.06438 0.90011 0.01193  0.06797  0.16598  765 ILE A N   
953  C CA  . ILE A 170 ? 0.86897 1.06875 0.89798 0.01032  0.07512  0.14864  765 ILE A CA  
954  C C   . ILE A 170 ? 0.87175 1.13128 0.86596 -0.02941 0.06696  0.15514  765 ILE A C   
955  O O   . ILE A 170 ? 0.90832 1.13769 0.85819 -0.04892 0.06429  0.12874  765 ILE A O   
956  C CB  . ILE A 170 ? 0.84406 1.06769 0.92005 0.05162  0.09060  0.16255  765 ILE A CB  
957  C CG1 . ILE A 170 ? 0.84288 0.99923 0.94897 0.08304  0.09211  0.15073  765 ILE A CG1 
958  C CG2 . ILE A 170 ? 0.82017 1.05883 0.88482 0.05222  0.10147  0.15486  765 ILE A CG2 
959  C CD1 . ILE A 170 ? 0.88885 0.96519 0.96739 0.07389  0.08577  0.12065  765 ILE A CD1 
960  N N   . VAL A 171 ? 0.84853 1.19436 0.85850 -0.04081 0.06189  0.19062  766 VAL A N   
961  C CA  . VAL A 171 ? 0.87444 1.28879 0.85479 -0.08532 0.04789  0.20183  766 VAL A CA  
962  C C   . VAL A 171 ? 0.93454 1.28910 0.86330 -0.13721 0.02602  0.17495  766 VAL A C   
963  O O   . VAL A 171 ? 0.96814 1.31664 0.84733 -0.17310 0.01285  0.15468  766 VAL A O   
964  C CB  . VAL A 171 ? 0.84153 1.36599 0.85746 -0.08385 0.04740  0.25249  766 VAL A CB  
965  C CG1 . VAL A 171 ? 0.81432 1.41420 0.80395 -0.14101 0.02514  0.26867  766 VAL A CG1 
966  C CG2 . VAL A 171 ? 0.74045 1.31855 0.79696 -0.03578 0.06826  0.27804  766 VAL A CG2 
967  N N   . ARG A 172 ? 0.75816 1.06159 0.69356 -0.14119 0.02109  0.17394  767 ARG A N   
968  C CA  . ARG A 172 ? 0.83052 1.06639 0.72179 -0.19054 0.00047  0.15321  767 ARG A CA  
969  C C   . ARG A 172 ? 0.88653 1.01525 0.72510 -0.19057 0.00188  0.10220  767 ARG A C   
970  O O   . ARG A 172 ? 0.98026 1.06830 0.76180 -0.23654 -0.01706 0.07878  767 ARG A O   
971  C CB  . ARG A 172 ? 0.77871 0.98185 0.69306 -0.18322 0.00047  0.16716  767 ARG A CB  
972  C CG  . ARG A 172 ? 0.81014 0.97507 0.69577 -0.24057 -0.02239 0.16786  767 ARG A CG  
973  C CD  . ARG A 172 ? 0.82673 0.95245 0.73339 -0.22363 -0.01766 0.18128  767 ARG A CD  
974  N NE  . ARG A 172 ? 0.70749 0.93487 0.65930 -0.20718 -0.01118 0.23058  767 ARG A NE  
975  C CZ  . ARG A 172 ? 0.75925 0.97940 0.72807 -0.19078 -0.00645 0.25154  767 ARG A CZ  
976  N NH1 . ARG A 172 ? 0.80158 0.92103 0.75214 -0.18941 -0.00843 0.23037  767 ARG A NH1 
977  N NH2 . ARG A 172 ? 0.71091 1.02980 0.71300 -0.17186 0.00192  0.29723  767 ARG A NH2 
978  N N   . ILE A 173 ? 0.78376 0.86571 0.63905 -0.13859 0.02361  0.08549  768 ILE A N   
979  C CA  . ILE A 173 ? 0.84026 0.83321 0.65046 -0.12653 0.03154  0.04311  768 ILE A CA  
980  C C   . ILE A 173 ? 0.93166 0.95901 0.69659 -0.14254 0.02923  0.02981  768 ILE A C   
981  O O   . ILE A 173 ? 1.02037 0.97521 0.71547 -0.16099 0.02260  -0.00782 768 ILE A O   
982  C CB  . ILE A 173 ? 0.84719 0.81581 0.70047 -0.06690 0.05541  0.04067  768 ILE A CB  
983  C CG1 . ILE A 173 ? 0.80318 0.74037 0.69375 -0.05215 0.05338  0.05246  768 ILE A CG1 
984  C CG2 . ILE A 173 ? 0.85439 0.74948 0.66729 -0.04532 0.06950  0.00448  768 ILE A CG2 
985  C CD1 . ILE A 173 ? 0.76189 0.67709 0.69650 -0.00086 0.06921  0.05130  768 ILE A CD1 
986  N N   . LEU A 174 ? 0.94858 1.08444 0.74724 -0.13365 0.03449  0.06072  769 LEU A N   
987  C CA  . LEU A 174 ? 0.99138 1.17438 0.75101 -0.14134 0.03471  0.05372  769 LEU A CA  
988  C C   . LEU A 174 ? 1.02846 1.22681 0.72872 -0.20623 0.00266  0.04525  769 LEU A C   
989  O O   . LEU A 174 ? 1.09153 1.27647 0.72466 -0.22062 -0.00390 0.01729  769 LEU A O   
990  C CB  . LEU A 174 ? 0.88879 1.18311 0.70815 -0.11029 0.05045  0.09588  769 LEU A CB  
991  C CG  . LEU A 174 ? 0.84954 1.12339 0.71849 -0.05178 0.07890  0.10001  769 LEU A CG  
992  C CD1 . LEU A 174 ? 0.81681 1.18902 0.73504 -0.02488 0.09364  0.14008  769 LEU A CD1 
993  C CD2 . LEU A 174 ? 0.89340 1.09278 0.71558 -0.03420 0.09183  0.06123  769 LEU A CD2 
994  N N   . LYS A 175 ? 1.14572 1.37138 0.86661 -0.24683 -0.01887 0.06922  770 LYS A N   
995  C CA  . LYS A 175 ? 1.17985 1.42172 0.85156 -0.31746 -0.05484 0.06544  770 LYS A CA  
996  C C   . LYS A 175 ? 1.31962 1.42624 0.90182 -0.34686 -0.07056 0.00797  770 LYS A C   
997  O O   . LYS A 175 ? 1.37936 1.48367 0.90193 -0.40568 -0.10315 -0.00708 770 LYS A O   
998  C CB  . LYS A 175 ? 1.13608 1.42758 0.85454 -0.35331 -0.07213 0.10695  770 LYS A CB  
999  N N   . ASN A 176 ? 1.16924 1.16194 0.73789 -0.30625 -0.04921 -0.02427 771 ASN A N   
1000 C CA  . ASN A 176 ? 1.30203 1.15308 0.78212 -0.32051 -0.05759 -0.07960 771 ASN A CA  
1001 C C   . ASN A 176 ? 1.39375 1.23251 0.79477 -0.30937 -0.05379 -0.11713 771 ASN A C   
1002 O O   . ASN A 176 ? 1.46239 1.18044 0.77321 -0.31916 -0.06135 -0.16780 771 ASN A O   
1003 C CB  . ASN A 176 ? 1.36607 1.11649 0.86321 -0.26882 -0.03061 -0.09499 771 ASN A CB  
1004 C CG  . ASN A 176 ? 1.47594 1.14474 0.97596 -0.30147 -0.04728 -0.09310 771 ASN A CG  
1005 O OD1 . ASN A 176 ? 1.61152 1.17914 1.04106 -0.34429 -0.06961 -0.12433 771 ASN A OD1 
1006 N ND2 . ASN A 176 ? 1.36802 1.07517 0.94615 -0.27994 -0.03659 -0.05630 771 ASN A ND2 
1007 N N   . TYR A 177 ? 1.26873 1.22471 0.69728 -0.28477 -0.04042 -0.09296 772 TYR A N   
1008 C CA  . TYR A 177 ? 1.32860 1.28871 0.68918 -0.26150 -0.02953 -0.12116 772 TYR A CA  
1009 C C   . TYR A 177 ? 1.33849 1.41508 0.68267 -0.30738 -0.05738 -0.10070 772 TYR A C   
1010 O O   . TYR A 177 ? 1.25254 1.45954 0.66494 -0.28954 -0.04619 -0.05263 772 TYR A O   
1011 C CB  . TYR A 177 ? 1.24639 1.23983 0.65877 -0.18365 0.01587  -0.10585 772 TYR A CB  
1012 C CG  . TYR A 177 ? 1.27942 1.16325 0.70651 -0.14206 0.03908  -0.12478 772 TYR A CG  
1013 C CD1 . TYR A 177 ? 1.18838 1.06604 0.69544 -0.13720 0.04105  -0.09841 772 TYR A CD1 
1014 C CD2 . TYR A 177 ? 1.34471 1.13248 0.70052 -0.10585 0.05855  -0.16824 772 TYR A CD2 
1015 C CE1 . TYR A 177 ? 1.24403 1.02920 0.76467 -0.10043 0.05931  -0.11280 772 TYR A CE1 
1016 C CE2 . TYR A 177 ? 1.34230 1.03787 0.71504 -0.06576 0.07989  -0.18038 772 TYR A CE2 
1017 C CZ  . TYR A 177 ? 1.27808 0.97523 0.73532 -0.06545 0.07853  -0.15176 772 TYR A CZ  
1018 O OH  . TYR A 177 ? 1.30680 0.92205 0.78241 -0.02615 0.09729  -0.16030 772 TYR A OH  
1019 N N   . GLU A 178 ? 1.89433 1.91807 1.14777 -0.36843 -0.09612 -0.13631 773 GLU A N   
1020 C CA  . GLU A 178 ? 1.89424 2.02240 1.11987 -0.42135 -0.13087 -0.12155 773 GLU A CA  
1021 C C   . GLU A 178 ? 1.90831 2.13500 1.12741 -0.37400 -0.10652 -0.10923 773 GLU A C   
1022 O O   . GLU A 178 ? 1.93013 2.09823 1.09867 -0.32147 -0.07743 -0.14261 773 GLU A O   
1023 C CB  . GLU A 178 ? 2.01719 2.04195 1.12350 -0.48755 -0.17586 -0.17706 773 GLU A CB  
1024 C CG  . GLU A 178 ? 2.01293 1.98533 1.13568 -0.55894 -0.21341 -0.17067 773 GLU A CG  
1025 C CD  . GLU A 178 ? 2.09841 2.12084 1.17439 -0.64994 -0.27218 -0.16924 773 GLU A CD  
1026 O OE1 . GLU A 178 ? 2.21601 2.21920 1.18902 -0.66499 -0.29205 -0.21121 773 GLU A OE1 
1027 O OE2 . GLU A 178 ? 2.05661 2.14404 1.19910 -0.70604 -0.29909 -0.12363 773 GLU A OE2 
1028 N N   . ASP A 179 ? 1.67500 2.05725 0.94810 -0.38971 -0.11639 -0.05589 774 ASP A N   
1029 C CA  . ASP A 179 ? 1.64541 2.13176 0.91194 -0.35062 -0.09681 -0.03699 774 ASP A CA  
1030 C C   . ASP A 179 ? 1.74699 2.17601 0.87905 -0.35853 -0.11003 -0.09513 774 ASP A C   
1031 O O   . ASP A 179 ? 1.73955 2.18941 0.84500 -0.30190 -0.07772 -0.10027 774 ASP A O   
1032 C CB  . ASP A 179 ? 1.55168 2.20915 0.88119 -0.37766 -0.11436 0.02753  774 ASP A CB  
1033 C CG  . ASP A 179 ? 1.48237 2.19119 0.93183 -0.36865 -0.10256 0.08254  774 ASP A CG  
1034 O OD1 . ASP A 179 ? 1.45495 2.07990 0.94662 -0.33155 -0.07575 0.07461  774 ASP A OD1 
1035 O OD2 . ASP A 179 ? 1.41619 2.25378 0.91444 -0.39608 -0.12010 0.13492  774 ASP A OD2 
1036 N N   . TYR A 180 ? 1.68222 2.03311 0.72501 -0.42720 -0.15714 -0.13960 775 TYR A N   
1037 C CA  . TYR A 180 ? 1.83148 2.11153 0.72901 -0.43757 -0.17507 -0.20286 775 TYR A CA  
1038 C C   . TYR A 180 ? 1.97212 2.05133 0.77888 -0.45603 -0.18836 -0.27394 775 TYR A C   
1039 O O   . TYR A 180 ? 2.10437 2.08264 0.79525 -0.42682 -0.17903 -0.33316 775 TYR A O   
1040 C CB  . TYR A 180 ? 1.89751 2.27523 0.75601 -0.50581 -0.22757 -0.19244 775 TYR A CB  
1041 C CG  . TYR A 180 ? 1.77522 2.34480 0.72424 -0.47904 -0.21170 -0.12040 775 TYR A CG  
1042 C CD1 . TYR A 180 ? 1.63144 2.31895 0.70646 -0.49299 -0.21111 -0.04974 775 TYR A CD1 
1043 C CD2 . TYR A 180 ? 1.81155 2.43808 0.72179 -0.43425 -0.19481 -0.12092 775 TYR A CD2 
1044 C CE1 . TYR A 180 ? 1.52966 2.37593 0.69265 -0.46176 -0.19247 0.01589  775 TYR A CE1 
1045 C CE2 . TYR A 180 ? 1.70626 2.49614 0.70692 -0.40791 -0.17830 -0.05266 775 TYR A CE2 
1046 C CZ  . TYR A 180 ? 1.56625 2.46072 0.69490 -0.42121 -0.17652 0.01430  775 TYR A CZ  
1047 O OH  . TYR A 180 ? 1.47129 2.51399 0.69366 -0.39041 -0.15732 0.08016  775 TYR A OH  
1048 O OXT . TYR A 180 ? 1.96211 1.97418 0.80782 -0.49601 -0.20621 -0.27157 775 TYR A OXT 
# 
