data_9HSZ
# 
_entry.id   9HSZ 
# 
_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   9HSZ         pdb_00009hsz 10.2210/pdb9hsz/pdb 
WWPDB D_1292144137 ?            ?                   
# 
_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                        9HSZ 
_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 4-aminopyridine
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'choline-phosphate cytidylyltransferase' 20646.949 1  2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn 4-AMINOPYRIDINE                          95.122    4  ?        ? ? ?                                            
3 water       nat water                                    18.015    73 ?        ? ? ?                                            
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 4-AMINOPYRIDINE 4AP 
3 water           HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
4AP non-polymer         . 4-AMINOPYRIDINE ? 'C5 H7 N2 1'     95.122  
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 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        4AP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   4AP 
_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 4AP 1  801 1  4AP LIG A . 
C 2 4AP 1  802 6  4AP LIG A . 
D 2 4AP 1  803 8  4AP LIG A . 
E 2 4AP 1  804 9  4AP LIG A . 
F 3 HOH 1  901 3  HOH HOH A . 
F 3 HOH 2  902 45 HOH HOH A . 
F 3 HOH 3  903 23 HOH HOH A . 
F 3 HOH 4  904 5  HOH HOH A . 
F 3 HOH 5  905 15 HOH HOH A . 
F 3 HOH 6  906 29 HOH HOH A . 
F 3 HOH 7  907 42 HOH HOH A . 
F 3 HOH 8  908 24 HOH HOH A . 
F 3 HOH 9  909 10 HOH HOH A . 
F 3 HOH 10 910 52 HOH HOH A . 
F 3 HOH 11 911 46 HOH HOH A . 
F 3 HOH 12 912 36 HOH HOH A . 
F 3 HOH 13 913 74 HOH HOH A . 
F 3 HOH 14 914 4  HOH HOH A . 
F 3 HOH 15 915 65 HOH HOH A . 
F 3 HOH 16 916 2  HOH HOH A . 
F 3 HOH 17 917 19 HOH HOH A . 
F 3 HOH 18 918 7  HOH HOH A . 
F 3 HOH 19 919 33 HOH HOH A . 
F 3 HOH 20 920 14 HOH HOH A . 
F 3 HOH 21 921 17 HOH HOH A . 
F 3 HOH 22 922 27 HOH HOH A . 
F 3 HOH 23 923 80 HOH HOH A . 
F 3 HOH 24 924 73 HOH HOH A . 
F 3 HOH 25 925 28 HOH HOH A . 
F 3 HOH 26 926 25 HOH HOH A . 
F 3 HOH 27 927 12 HOH HOH A . 
F 3 HOH 28 928 48 HOH HOH A . 
F 3 HOH 29 929 20 HOH HOH A . 
F 3 HOH 30 930 22 HOH HOH A . 
F 3 HOH 31 931 1  HOH HOH A . 
F 3 HOH 32 932 16 HOH HOH A . 
F 3 HOH 33 933 43 HOH HOH A . 
F 3 HOH 34 934 41 HOH HOH A . 
F 3 HOH 35 935 26 HOH HOH A . 
F 3 HOH 36 936 68 HOH HOH A . 
F 3 HOH 37 937 31 HOH HOH A . 
F 3 HOH 38 938 57 HOH HOH A . 
F 3 HOH 39 939 61 HOH HOH A . 
F 3 HOH 40 940 63 HOH HOH A . 
F 3 HOH 41 941 11 HOH HOH A . 
F 3 HOH 42 942 6  HOH HOH A . 
F 3 HOH 43 943 21 HOH HOH A . 
F 3 HOH 44 944 9  HOH HOH A . 
F 3 HOH 45 945 79 HOH HOH A . 
F 3 HOH 46 946 8  HOH HOH A . 
F 3 HOH 47 947 77 HOH HOH A . 
F 3 HOH 48 948 71 HOH HOH A . 
F 3 HOH 49 949 60 HOH HOH A . 
F 3 HOH 50 950 38 HOH HOH A . 
F 3 HOH 51 951 82 HOH HOH A . 
F 3 HOH 52 952 30 HOH HOH A . 
F 3 HOH 53 953 72 HOH HOH A . 
F 3 HOH 54 954 39 HOH HOH A . 
F 3 HOH 55 955 81 HOH HOH A . 
F 3 HOH 56 956 62 HOH HOH A . 
F 3 HOH 57 957 53 HOH HOH A . 
F 3 HOH 58 958 64 HOH HOH A . 
F 3 HOH 59 959 13 HOH HOH A . 
F 3 HOH 60 960 32 HOH HOH A . 
F 3 HOH 61 961 47 HOH HOH A . 
F 3 HOH 62 962 55 HOH HOH A . 
F 3 HOH 63 963 66 HOH HOH A . 
F 3 HOH 64 964 18 HOH HOH A . 
F 3 HOH 65 965 49 HOH HOH A . 
F 3 HOH 66 966 40 HOH HOH A . 
F 3 HOH 67 967 59 HOH HOH A . 
F 3 HOH 68 968 70 HOH HOH A . 
F 3 HOH 69 969 56 HOH HOH A . 
F 3 HOH 70 970 37 HOH HOH A . 
F 3 HOH 71 971 34 HOH HOH A . 
F 3 HOH 72 972 50 HOH HOH A . 
F 3 HOH 73 973 51 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 GLN 665 ? CG  ? A GLN 88  CG  
2  1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
3  1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
4  1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
5  1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
6  1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
7  1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
8  1 Y 1 A TYR 741 ? CG  ? A TYR 146 CG  
9  1 Y 1 A TYR 741 ? CD1 ? A TYR 146 CD1 
10 1 Y 1 A TYR 741 ? CD2 ? A TYR 146 CD2 
11 1 Y 1 A TYR 741 ? CE1 ? A TYR 146 CE1 
12 1 Y 1 A TYR 741 ? CE2 ? A TYR 146 CE2 
13 1 Y 1 A TYR 741 ? CZ  ? A TYR 146 CZ  
14 1 Y 1 A TYR 741 ? OH  ? A TYR 146 OH  
15 1 Y 1 A LEU 764 ? CG  ? A LEU 169 CG  
16 1 Y 1 A LEU 764 ? CD1 ? A LEU 169 CD1 
17 1 Y 1 A LEU 764 ? CD2 ? A LEU 169 CD2 
18 1 Y 1 A ARG 767 ? CG  ? A ARG 172 CG  
19 1 Y 1 A ARG 767 ? CD  ? A ARG 172 CD  
20 1 Y 1 A ARG 767 ? NE  ? A ARG 172 NE  
21 1 Y 1 A ARG 767 ? CZ  ? A ARG 172 CZ  
22 1 Y 1 A ARG 767 ? NH1 ? A ARG 172 NH1 
23 1 Y 1 A ARG 767 ? NH2 ? A ARG 172 NH2 
24 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
25 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
26 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
27 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
28 1 Y 1 A ASN 771 ? CG  ? A ASN 176 CG  
29 1 Y 1 A ASN 771 ? OD1 ? A ASN 176 OD1 
30 1 Y 1 A ASN 771 ? ND2 ? A ASN 176 ND2 
# 
_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                     9HSZ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.133 
_cell.length_a_esd                 ? 
_cell.length_b                     70.736 
_cell.length_b_esd                 ? 
_cell.length_c                     119.057 
_cell.length_c_esd                 ? 
_cell.volume                       422200.873 
_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                         9HSZ 
_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                   9HSZ 
_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             2.56 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          51.88 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.965459 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          43.77 
_reflns.entry_id                                       9HSZ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.96 
_reflns.d_resolution_low                               60.81 
_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                                     28204 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.85 
_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                                0.102 
_reflns.pdbx_Rpim_I_all                                0.044 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.991 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.092 
_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                                    1.96 
_reflns_shell.d_res_low                                     2.01 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           5202 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1066 
_reflns_shell.percent_possible_obs                          98.4 
_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                               4.9 
_reflns_shell.pdbx_chi_squared                              0.66 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.1 
_reflns_shell.pdbx_Rrim_I_all                               1.106 
_reflns_shell.pdbx_Rpim_I_all                               0.482 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.530 
_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                                  0.990 
_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                               54.91 
_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                                 9HSZ 
_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                            1.96 
_refine.ls_d_res_low                             60.81 
_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                     28204 
_refine.ls_number_reflns_R_free                  1389 
_refine.ls_number_reflns_R_work                  26815 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    95.86 
_refine.ls_percent_reflns_R_free                 4.92 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2008 
_refine.ls_R_factor_R_free                       0.2197 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1998 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 27.0381 
_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                            0.2529 
_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                       1.96 
_refine_hist.d_res_low                        60.81 
_refine_hist.number_atoms_solvent             73 
_refine_hist.number_atoms_total               1138 
_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        1037 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         28 
_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' ? 0.0065  ? 1085 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.6949  ? 1465 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0539  ? 168  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0049  ? 181  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.8994 ? 381  ? 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' 1.96 2.03  . . 157 2634 95.22 . . . . 0.3053 . . . . . . . . . . . 0.3298 
'X-RAY DIFFRACTION' 2.03 2.11  . . 152 2701 96.32 . . . . 0.2593 . . . . . . . . . . . 0.2979 
'X-RAY DIFFRACTION' 2.11 2.21  . . 122 2697 96.41 . . . . 0.2490 . . . . . . . . . . . 0.2656 
'X-RAY DIFFRACTION' 2.21 2.32  . . 125 2704 96.36 . . . . 0.2274 . . . . . . . . . . . 0.2671 
'X-RAY DIFFRACTION' 2.32 2.47  . . 151 2679 96.19 . . . . 0.2247 . . . . . . . . . . . 0.2200 
'X-RAY DIFFRACTION' 2.47 2.66  . . 114 2691 95.93 . . . . 0.2126 . . . . . . . . . . . 0.2498 
'X-RAY DIFFRACTION' 2.66 2.93  . . 150 2696 95.66 . . . . 0.2422 . . . . . . . . . . . 0.2298 
'X-RAY DIFFRACTION' 2.93 3.35  . . 146 2681 96.16 . . . . 0.2096 . . . . . . . . . . . 0.2581 
'X-RAY DIFFRACTION' 3.35 4.22  . . 148 2654 96.26 . . . . 0.1800 . . . . . . . . . . . 0.1677 
'X-RAY DIFFRACTION' 4.22 60.81 . . 124 2678 94.28 . . . . 0.1706 . . . . . . . . . . . 0.2164 
# 
_struct.entry_id                     9HSZ 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-aminopyridine
;
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9HSZ 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSZ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSZ GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSZ HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSZ MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSZ ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSZ ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSZ ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSZ ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSZ ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSZ ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSZ ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSZ ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSZ ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSZ ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSZ ?   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)' 3640  ? 
1 MORE         18    ? 
1 'SSA (A^2)'  14500 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -70.7360000000 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       -0.86 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSZ 
_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 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    LYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     770 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -63.32 
_pdbx_validate_torsion.psi             3.76 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -2.79696642481 -22.1845119132 -24.0229020572 0.249123643129 ? -0.00732755820589 ? 0.0404046138835 
? 0.318942069438 ? -0.0562805245976 ? 0.304202648351 ? 5.84398811837 ? 0.109412277348 ? 1.10542677176  ? 4.4481516297  ? 
-0.846128341285 ? 3.310173467   ? 0.0523693661276 ? -0.28395847664  ? 0.294352136407 ? 0.300740358481 ? -0.110671917721 ? 
-0.00593374246886 ? -0.194121994547  ? 0.0199958001375 ? 0.0619058224339 ? 
2 'X-RAY DIFFRACTION' ? refined -14.4324987874 -17.3140688662 -21.4792591367 0.846477269953 ? 0.110625980517    ? 0.101961060925  
? 0.836686030183 ? -0.112162865416  ? 0.479986217824 ? 2.28736651612 ? -2.48559594846 ? 0.468728532261 ? 4.39770115235 ? 
0.060990506027  ? 2.05413094363 ? -0.6941392894   ? -1.94899046949  ? 0.272669382492 ? 2.91576136184  ? 0.265018253054  ? 
0.258751966859    ? -0.817429329566  ? -0.309017467116 ? 0.50087855176   ? 
3 'X-RAY DIFFRACTION' ? refined -11.4250141382 -27.261134445  -15.3047512383 0.623814985861 ? 0.0146067057114   ? 0.0935492776503 
? 0.659999529041 ? -0.156962181808  ? 0.437889529929 ? 1.82907147789 ? -1.85974458486 ? 2.74288770924  ? 4.06208409324 ? 
-4.26559753816  ? 5.08259982119 ? -0.256260706304 ? -0.508000305329 ? 0.240439107968 ? 0.610261047146 ? 0.30775330666   ? 
0.00748497182984  ? -0.0520687690341 ? -0.668415230822 ? -0.120511965299 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 91  A 706 ? ? 
;chain 'A' and (resid 616 through 706 )
;
2 'X-RAY DIFFRACTION' 2 A 92  A 707 ? A 99  A 741 ? ? 
;chain 'A' and (resid 707 through 741 )
;
3 'X-RAY DIFFRACTION' 3 A 100 A 742 ? A 130 A 772 ? ? 
;chain 'A' and (resid 742 through 772 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ILE 730 ? A ILE 135 
40 1 Y 1 A PRO 731 ? A PRO 136 
41 1 Y 1 A TYR 732 ? A TYR 137 
42 1 Y 1 A ALA 733 ? A ALA 138 
43 1 Y 1 A ASN 734 ? A ASN 139 
44 1 Y 1 A ASN 735 ? A ASN 140 
45 1 Y 1 A GLN 736 ? A GLN 141 
46 1 Y 1 A LYS 737 ? A LYS 142 
47 1 Y 1 A GLU 738 ? A GLU 143 
48 1 Y 1 A GLU 773 ? A GLU 178 
49 1 Y 1 A ASP 774 ? A ASP 179 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
4AP N1   N Y N 1   
4AP C2   C Y N 2   
4AP C3   C Y N 3   
4AP C4   C Y N 4   
4AP C5   C Y N 5   
4AP C6   C Y N 6   
4AP N4   N N N 7   
4AP HN1  H N N 8   
4AP H2   H N N 9   
4AP H3   H N N 10  
4AP H5   H N N 11  
4AP H6   H N N 12  
4AP HN41 H N N 13  
4AP HN42 H N N 14  
ALA N    N N N 15  
ALA CA   C N S 16  
ALA C    C N N 17  
ALA O    O N N 18  
ALA CB   C N N 19  
ALA OXT  O N N 20  
ALA H    H N N 21  
ALA H2   H N N 22  
ALA HA   H N N 23  
ALA HB1  H N N 24  
ALA HB2  H N N 25  
ALA HB3  H N N 26  
ALA HXT  H N N 27  
ARG N    N N N 28  
ARG CA   C N S 29  
ARG C    C N N 30  
ARG O    O N N 31  
ARG CB   C N N 32  
ARG CG   C N N 33  
ARG CD   C N N 34  
ARG NE   N N N 35  
ARG CZ   C N N 36  
ARG NH1  N N N 37  
ARG NH2  N N N 38  
ARG OXT  O N N 39  
ARG H    H N N 40  
ARG H2   H N N 41  
ARG HA   H N N 42  
ARG HB2  H N N 43  
ARG HB3  H N N 44  
ARG HG2  H N N 45  
ARG HG3  H N N 46  
ARG HD2  H N N 47  
ARG HD3  H N N 48  
ARG HE   H N N 49  
ARG HH11 H N N 50  
ARG HH12 H N N 51  
ARG HH21 H N N 52  
ARG HH22 H N N 53  
ARG HXT  H N N 54  
ASN N    N N N 55  
ASN CA   C N S 56  
ASN C    C N N 57  
ASN O    O N N 58  
ASN CB   C N N 59  
ASN CG   C N N 60  
ASN OD1  O N N 61  
ASN ND2  N N N 62  
ASN OXT  O N N 63  
ASN H    H N N 64  
ASN H2   H N N 65  
ASN HA   H N N 66  
ASN HB2  H N N 67  
ASN HB3  H N N 68  
ASN HD21 H N N 69  
ASN HD22 H N N 70  
ASN HXT  H N N 71  
ASP N    N N N 72  
ASP CA   C N S 73  
ASP C    C N N 74  
ASP O    O N N 75  
ASP CB   C N N 76  
ASP CG   C N N 77  
ASP OD1  O N N 78  
ASP OD2  O N N 79  
ASP OXT  O N N 80  
ASP H    H N N 81  
ASP H2   H N N 82  
ASP HA   H N N 83  
ASP HB2  H N N 84  
ASP HB3  H N N 85  
ASP HD2  H N N 86  
ASP HXT  H N N 87  
CYS N    N N N 88  
CYS CA   C N R 89  
CYS C    C N N 90  
CYS O    O N N 91  
CYS CB   C N N 92  
CYS SG   S N N 93  
CYS OXT  O N N 94  
CYS H    H N N 95  
CYS H2   H N N 96  
CYS HA   H N N 97  
CYS HB2  H N N 98  
CYS HB3  H N N 99  
CYS HG   H N N 100 
CYS HXT  H N N 101 
GLN N    N N N 102 
GLN CA   C N S 103 
GLN C    C N N 104 
GLN O    O N N 105 
GLN CB   C N N 106 
GLN CG   C N N 107 
GLN CD   C N N 108 
GLN OE1  O N N 109 
GLN NE2  N N N 110 
GLN OXT  O N N 111 
GLN H    H N N 112 
GLN H2   H N N 113 
GLN HA   H N N 114 
GLN HB2  H N N 115 
GLN HB3  H N N 116 
GLN HG2  H N N 117 
GLN HG3  H N N 118 
GLN HE21 H N N 119 
GLN HE22 H N N 120 
GLN HXT  H N N 121 
GLU N    N N N 122 
GLU CA   C N S 123 
GLU C    C N N 124 
GLU O    O N N 125 
GLU CB   C N N 126 
GLU CG   C N N 127 
GLU CD   C N N 128 
GLU OE1  O N N 129 
GLU OE2  O N N 130 
GLU OXT  O N N 131 
GLU H    H N N 132 
GLU H2   H N N 133 
GLU HA   H N N 134 
GLU HB2  H N N 135 
GLU HB3  H N N 136 
GLU HG2  H N N 137 
GLU HG3  H N N 138 
GLU HE2  H N N 139 
GLU HXT  H N N 140 
GLY N    N N N 141 
GLY CA   C N N 142 
GLY C    C N N 143 
GLY O    O N N 144 
GLY OXT  O N N 145 
GLY H    H N N 146 
GLY H2   H N N 147 
GLY HA2  H N N 148 
GLY HA3  H N N 149 
GLY HXT  H N N 150 
HIS N    N N N 151 
HIS CA   C N S 152 
HIS C    C N N 153 
HIS O    O N N 154 
HIS CB   C N N 155 
HIS CG   C Y N 156 
HIS ND1  N Y N 157 
HIS CD2  C Y N 158 
HIS CE1  C Y N 159 
HIS NE2  N Y N 160 
HIS OXT  O N N 161 
HIS H    H N N 162 
HIS H2   H N N 163 
HIS HA   H N N 164 
HIS HB2  H N N 165 
HIS HB3  H N N 166 
HIS HD1  H N N 167 
HIS HD2  H N N 168 
HIS HE1  H N N 169 
HIS HE2  H N N 170 
HIS HXT  H N N 171 
HOH O    O N N 172 
HOH H1   H N N 173 
HOH H2   H N N 174 
ILE N    N N N 175 
ILE CA   C N S 176 
ILE C    C N N 177 
ILE O    O N N 178 
ILE CB   C N S 179 
ILE CG1  C N N 180 
ILE CG2  C N N 181 
ILE CD1  C N N 182 
ILE OXT  O N N 183 
ILE H    H N N 184 
ILE H2   H N N 185 
ILE HA   H N N 186 
ILE HB   H N N 187 
ILE HG12 H N N 188 
ILE HG13 H N N 189 
ILE HG21 H N N 190 
ILE HG22 H N N 191 
ILE HG23 H N N 192 
ILE HD11 H N N 193 
ILE HD12 H N N 194 
ILE HD13 H N N 195 
ILE HXT  H N N 196 
LEU N    N N N 197 
LEU CA   C N S 198 
LEU C    C N N 199 
LEU O    O N N 200 
LEU CB   C N N 201 
LEU CG   C N N 202 
LEU CD1  C N N 203 
LEU CD2  C N N 204 
LEU OXT  O N N 205 
LEU H    H N N 206 
LEU H2   H N N 207 
LEU HA   H N N 208 
LEU HB2  H N N 209 
LEU HB3  H N N 210 
LEU HG   H N N 211 
LEU HD11 H N N 212 
LEU HD12 H N N 213 
LEU HD13 H N N 214 
LEU HD21 H N N 215 
LEU HD22 H N N 216 
LEU HD23 H N N 217 
LEU HXT  H N N 218 
LYS N    N N N 219 
LYS CA   C N S 220 
LYS C    C N N 221 
LYS O    O N N 222 
LYS CB   C N N 223 
LYS CG   C N N 224 
LYS CD   C N N 225 
LYS CE   C N N 226 
LYS NZ   N N N 227 
LYS OXT  O N N 228 
LYS H    H N N 229 
LYS H2   H N N 230 
LYS HA   H N N 231 
LYS HB2  H N N 232 
LYS HB3  H N N 233 
LYS HG2  H N N 234 
LYS HG3  H N N 235 
LYS HD2  H N N 236 
LYS HD3  H N N 237 
LYS HE2  H N N 238 
LYS HE3  H N N 239 
LYS HZ1  H N N 240 
LYS HZ2  H N N 241 
LYS HZ3  H N N 242 
LYS HXT  H N N 243 
MET N    N N N 244 
MET CA   C N S 245 
MET C    C N N 246 
MET O    O N N 247 
MET CB   C N N 248 
MET CG   C N N 249 
MET SD   S N N 250 
MET CE   C N N 251 
MET OXT  O N N 252 
MET H    H N N 253 
MET H2   H N N 254 
MET HA   H N N 255 
MET HB2  H N N 256 
MET HB3  H N N 257 
MET HG2  H N N 258 
MET HG3  H N N 259 
MET HE1  H N N 260 
MET HE2  H N N 261 
MET HE3  H N N 262 
MET HXT  H N N 263 
PHE N    N N N 264 
PHE CA   C N S 265 
PHE C    C N N 266 
PHE O    O N N 267 
PHE CB   C N N 268 
PHE CG   C Y N 269 
PHE CD1  C Y N 270 
PHE CD2  C Y N 271 
PHE CE1  C Y N 272 
PHE CE2  C Y N 273 
PHE CZ   C Y N 274 
PHE OXT  O N N 275 
PHE H    H N N 276 
PHE H2   H N N 277 
PHE HA   H N N 278 
PHE HB2  H N N 279 
PHE HB3  H N N 280 
PHE HD1  H N N 281 
PHE HD2  H N N 282 
PHE HE1  H N N 283 
PHE HE2  H N N 284 
PHE HZ   H N N 285 
PHE HXT  H N N 286 
PRO N    N N N 287 
PRO CA   C N S 288 
PRO C    C N N 289 
PRO O    O N N 290 
PRO CB   C N N 291 
PRO CG   C N N 292 
PRO CD   C N N 293 
PRO OXT  O N N 294 
PRO H    H N N 295 
PRO HA   H N N 296 
PRO HB2  H N N 297 
PRO HB3  H N N 298 
PRO HG2  H N N 299 
PRO HG3  H N N 300 
PRO HD2  H N N 301 
PRO HD3  H N N 302 
PRO HXT  H N N 303 
SER N    N N N 304 
SER CA   C N S 305 
SER C    C N N 306 
SER O    O N N 307 
SER CB   C N N 308 
SER OG   O N N 309 
SER OXT  O N N 310 
SER H    H N N 311 
SER H2   H N N 312 
SER HA   H N N 313 
SER HB2  H N N 314 
SER HB3  H N N 315 
SER HG   H N N 316 
SER HXT  H N N 317 
THR N    N N N 318 
THR CA   C N S 319 
THR C    C N N 320 
THR O    O N N 321 
THR CB   C N R 322 
THR OG1  O N N 323 
THR CG2  C N N 324 
THR OXT  O N N 325 
THR H    H N N 326 
THR H2   H N N 327 
THR HA   H N N 328 
THR HB   H N N 329 
THR HG1  H N N 330 
THR HG21 H N N 331 
THR HG22 H N N 332 
THR HG23 H N N 333 
THR HXT  H N N 334 
TRP N    N N N 335 
TRP CA   C N S 336 
TRP C    C N N 337 
TRP O    O N N 338 
TRP CB   C N N 339 
TRP CG   C Y N 340 
TRP CD1  C Y N 341 
TRP CD2  C Y N 342 
TRP NE1  N Y N 343 
TRP CE2  C Y N 344 
TRP CE3  C Y N 345 
TRP CZ2  C Y N 346 
TRP CZ3  C Y N 347 
TRP CH2  C Y N 348 
TRP OXT  O N N 349 
TRP H    H N N 350 
TRP H2   H N N 351 
TRP HA   H N N 352 
TRP HB2  H N N 353 
TRP HB3  H N N 354 
TRP HD1  H N N 355 
TRP HE1  H N N 356 
TRP HE3  H N N 357 
TRP HZ2  H N N 358 
TRP HZ3  H N N 359 
TRP HH2  H N N 360 
TRP HXT  H N N 361 
TYR N    N N N 362 
TYR CA   C N S 363 
TYR C    C N N 364 
TYR O    O N N 365 
TYR CB   C N N 366 
TYR CG   C Y N 367 
TYR CD1  C Y N 368 
TYR CD2  C Y N 369 
TYR CE1  C Y N 370 
TYR CE2  C Y N 371 
TYR CZ   C Y N 372 
TYR OH   O N N 373 
TYR OXT  O N N 374 
TYR H    H N N 375 
TYR H2   H N N 376 
TYR HA   H N N 377 
TYR HB2  H N N 378 
TYR HB3  H N N 379 
TYR HD1  H N N 380 
TYR HD2  H N N 381 
TYR HE1  H N N 382 
TYR HE2  H N N 383 
TYR HH   H N N 384 
TYR HXT  H N N 385 
VAL N    N N N 386 
VAL CA   C N S 387 
VAL C    C N N 388 
VAL O    O N N 389 
VAL CB   C N N 390 
VAL CG1  C N N 391 
VAL CG2  C N N 392 
VAL OXT  O N N 393 
VAL H    H N N 394 
VAL H2   H N N 395 
VAL HA   H N N 396 
VAL HB   H N N 397 
VAL HG11 H N N 398 
VAL HG12 H N N 399 
VAL HG13 H N N 400 
VAL HG21 H N N 401 
VAL HG22 H N N 402 
VAL HG23 H N N 403 
VAL HXT  H N N 404 
# 
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 
4AP N1  C2   sing Y N 1   
4AP N1  C6   doub Y N 2   
4AP N1  HN1  sing N N 3   
4AP C2  C3   doub Y N 4   
4AP C2  H2   sing N N 5   
4AP C3  C4   sing Y N 6   
4AP C3  H3   sing N N 7   
4AP C4  C5   doub Y N 8   
4AP C4  N4   sing N N 9   
4AP C5  C6   sing Y N 10  
4AP C5  H5   sing N N 11  
4AP C6  H6   sing N N 12  
4AP N4  HN41 sing N N 13  
4AP N4  HN42 sing N N 14  
ALA N   CA   sing N N 15  
ALA N   H    sing N N 16  
ALA N   H2   sing N N 17  
ALA CA  C    sing N N 18  
ALA CA  CB   sing N N 19  
ALA CA  HA   sing N N 20  
ALA C   O    doub N N 21  
ALA C   OXT  sing N N 22  
ALA CB  HB1  sing N N 23  
ALA CB  HB2  sing N N 24  
ALA CB  HB3  sing N N 25  
ALA OXT HXT  sing N N 26  
ARG N   CA   sing N N 27  
ARG N   H    sing N N 28  
ARG N   H2   sing N N 29  
ARG CA  C    sing N N 30  
ARG CA  CB   sing N N 31  
ARG CA  HA   sing N N 32  
ARG C   O    doub N N 33  
ARG C   OXT  sing N N 34  
ARG CB  CG   sing N N 35  
ARG CB  HB2  sing N N 36  
ARG CB  HB3  sing N N 37  
ARG CG  CD   sing N N 38  
ARG CG  HG2  sing N N 39  
ARG CG  HG3  sing N N 40  
ARG CD  NE   sing N N 41  
ARG CD  HD2  sing N N 42  
ARG CD  HD3  sing N N 43  
ARG NE  CZ   sing N N 44  
ARG NE  HE   sing N N 45  
ARG CZ  NH1  sing N N 46  
ARG CZ  NH2  doub N N 47  
ARG NH1 HH11 sing N N 48  
ARG NH1 HH12 sing N N 49  
ARG NH2 HH21 sing N N 50  
ARG NH2 HH22 sing N N 51  
ARG OXT HXT  sing N N 52  
ASN N   CA   sing N N 53  
ASN N   H    sing N N 54  
ASN N   H2   sing N N 55  
ASN CA  C    sing N N 56  
ASN CA  CB   sing N N 57  
ASN CA  HA   sing N N 58  
ASN C   O    doub N N 59  
ASN C   OXT  sing N N 60  
ASN CB  CG   sing N N 61  
ASN CB  HB2  sing N N 62  
ASN CB  HB3  sing N N 63  
ASN CG  OD1  doub N N 64  
ASN CG  ND2  sing N N 65  
ASN ND2 HD21 sing N N 66  
ASN ND2 HD22 sing N N 67  
ASN OXT HXT  sing N N 68  
ASP N   CA   sing N N 69  
ASP N   H    sing N N 70  
ASP N   H2   sing N N 71  
ASP CA  C    sing N N 72  
ASP CA  CB   sing N N 73  
ASP CA  HA   sing N N 74  
ASP C   O    doub N N 75  
ASP C   OXT  sing N N 76  
ASP CB  CG   sing N N 77  
ASP CB  HB2  sing N N 78  
ASP CB  HB3  sing N N 79  
ASP CG  OD1  doub N N 80  
ASP CG  OD2  sing N N 81  
ASP OD2 HD2  sing N N 82  
ASP OXT HXT  sing N N 83  
CYS N   CA   sing N N 84  
CYS N   H    sing N N 85  
CYS N   H2   sing N N 86  
CYS CA  C    sing N N 87  
CYS CA  CB   sing N N 88  
CYS CA  HA   sing N N 89  
CYS C   O    doub N N 90  
CYS C   OXT  sing N N 91  
CYS CB  SG   sing N N 92  
CYS CB  HB2  sing N N 93  
CYS CB  HB3  sing N N 94  
CYS SG  HG   sing N N 95  
CYS OXT HXT  sing N N 96  
GLN N   CA   sing N N 97  
GLN N   H    sing N N 98  
GLN N   H2   sing N N 99  
GLN CA  C    sing N N 100 
GLN CA  CB   sing N N 101 
GLN CA  HA   sing N N 102 
GLN C   O    doub N N 103 
GLN C   OXT  sing N N 104 
GLN CB  CG   sing N N 105 
GLN CB  HB2  sing N N 106 
GLN CB  HB3  sing N N 107 
GLN CG  CD   sing N N 108 
GLN CG  HG2  sing N N 109 
GLN CG  HG3  sing N N 110 
GLN CD  OE1  doub N N 111 
GLN CD  NE2  sing N N 112 
GLN NE2 HE21 sing N N 113 
GLN NE2 HE22 sing N N 114 
GLN OXT HXT  sing N N 115 
GLU N   CA   sing N N 116 
GLU N   H    sing N N 117 
GLU N   H2   sing N N 118 
GLU CA  C    sing N N 119 
GLU CA  CB   sing N N 120 
GLU CA  HA   sing N N 121 
GLU C   O    doub N N 122 
GLU C   OXT  sing N N 123 
GLU CB  CG   sing N N 124 
GLU CB  HB2  sing N N 125 
GLU CB  HB3  sing N N 126 
GLU CG  CD   sing N N 127 
GLU CG  HG2  sing N N 128 
GLU CG  HG3  sing N N 129 
GLU CD  OE1  doub N N 130 
GLU CD  OE2  sing N N 131 
GLU OE2 HE2  sing N N 132 
GLU OXT HXT  sing N N 133 
GLY N   CA   sing N N 134 
GLY N   H    sing N N 135 
GLY N   H2   sing N N 136 
GLY CA  C    sing N N 137 
GLY CA  HA2  sing N N 138 
GLY CA  HA3  sing N N 139 
GLY C   O    doub N N 140 
GLY C   OXT  sing N N 141 
GLY OXT HXT  sing N N 142 
HIS N   CA   sing N N 143 
HIS N   H    sing N N 144 
HIS N   H2   sing N N 145 
HIS CA  C    sing N N 146 
HIS CA  CB   sing N N 147 
HIS CA  HA   sing N N 148 
HIS C   O    doub N N 149 
HIS C   OXT  sing N N 150 
HIS CB  CG   sing N N 151 
HIS CB  HB2  sing N N 152 
HIS CB  HB3  sing N N 153 
HIS CG  ND1  sing Y N 154 
HIS CG  CD2  doub Y N 155 
HIS ND1 CE1  doub Y N 156 
HIS ND1 HD1  sing N N 157 
HIS CD2 NE2  sing Y N 158 
HIS CD2 HD2  sing N N 159 
HIS CE1 NE2  sing Y N 160 
HIS CE1 HE1  sing N N 161 
HIS NE2 HE2  sing N N 162 
HIS OXT HXT  sing N N 163 
HOH O   H1   sing N N 164 
HOH O   H2   sing N N 165 
ILE N   CA   sing N N 166 
ILE N   H    sing N N 167 
ILE N   H2   sing N N 168 
ILE CA  C    sing N N 169 
ILE CA  CB   sing N N 170 
ILE CA  HA   sing N N 171 
ILE C   O    doub N N 172 
ILE C   OXT  sing N N 173 
ILE CB  CG1  sing N N 174 
ILE CB  CG2  sing N N 175 
ILE CB  HB   sing N N 176 
ILE CG1 CD1  sing N N 177 
ILE CG1 HG12 sing N N 178 
ILE CG1 HG13 sing N N 179 
ILE CG2 HG21 sing N N 180 
ILE CG2 HG22 sing N N 181 
ILE CG2 HG23 sing N N 182 
ILE CD1 HD11 sing N N 183 
ILE CD1 HD12 sing N N 184 
ILE CD1 HD13 sing N N 185 
ILE OXT HXT  sing N N 186 
LEU N   CA   sing N N 187 
LEU N   H    sing N N 188 
LEU N   H2   sing N N 189 
LEU CA  C    sing N N 190 
LEU CA  CB   sing N N 191 
LEU CA  HA   sing N N 192 
LEU C   O    doub N N 193 
LEU C   OXT  sing N N 194 
LEU CB  CG   sing N N 195 
LEU CB  HB2  sing N N 196 
LEU CB  HB3  sing N N 197 
LEU CG  CD1  sing N N 198 
LEU CG  CD2  sing N N 199 
LEU CG  HG   sing N N 200 
LEU CD1 HD11 sing N N 201 
LEU CD1 HD12 sing N N 202 
LEU CD1 HD13 sing N N 203 
LEU CD2 HD21 sing N N 204 
LEU CD2 HD22 sing N N 205 
LEU CD2 HD23 sing N N 206 
LEU OXT HXT  sing N N 207 
LYS N   CA   sing N N 208 
LYS N   H    sing N N 209 
LYS N   H2   sing N N 210 
LYS CA  C    sing N N 211 
LYS CA  CB   sing N N 212 
LYS CA  HA   sing N N 213 
LYS C   O    doub N N 214 
LYS C   OXT  sing N N 215 
LYS CB  CG   sing N N 216 
LYS CB  HB2  sing N N 217 
LYS CB  HB3  sing N N 218 
LYS CG  CD   sing N N 219 
LYS CG  HG2  sing N N 220 
LYS CG  HG3  sing N N 221 
LYS CD  CE   sing N N 222 
LYS CD  HD2  sing N N 223 
LYS CD  HD3  sing N N 224 
LYS CE  NZ   sing N N 225 
LYS CE  HE2  sing N N 226 
LYS CE  HE3  sing N N 227 
LYS NZ  HZ1  sing N N 228 
LYS NZ  HZ2  sing N N 229 
LYS NZ  HZ3  sing N N 230 
LYS OXT HXT  sing N N 231 
MET N   CA   sing N N 232 
MET N   H    sing N N 233 
MET N   H2   sing N N 234 
MET CA  C    sing N N 235 
MET CA  CB   sing N N 236 
MET CA  HA   sing N N 237 
MET C   O    doub N N 238 
MET C   OXT  sing N N 239 
MET CB  CG   sing N N 240 
MET CB  HB2  sing N N 241 
MET CB  HB3  sing N N 242 
MET CG  SD   sing N N 243 
MET CG  HG2  sing N N 244 
MET CG  HG3  sing N N 245 
MET SD  CE   sing N N 246 
MET CE  HE1  sing N N 247 
MET CE  HE2  sing N N 248 
MET CE  HE3  sing N N 249 
MET OXT HXT  sing N N 250 
PHE N   CA   sing N N 251 
PHE N   H    sing N N 252 
PHE N   H2   sing N N 253 
PHE CA  C    sing N N 254 
PHE CA  CB   sing N N 255 
PHE CA  HA   sing N N 256 
PHE C   O    doub N N 257 
PHE C   OXT  sing N N 258 
PHE CB  CG   sing N N 259 
PHE CB  HB2  sing N N 260 
PHE CB  HB3  sing N N 261 
PHE CG  CD1  doub Y N 262 
PHE CG  CD2  sing Y N 263 
PHE CD1 CE1  sing Y N 264 
PHE CD1 HD1  sing N N 265 
PHE CD2 CE2  doub Y N 266 
PHE CD2 HD2  sing N N 267 
PHE CE1 CZ   doub Y N 268 
PHE CE1 HE1  sing N N 269 
PHE CE2 CZ   sing Y N 270 
PHE CE2 HE2  sing N N 271 
PHE CZ  HZ   sing N N 272 
PHE OXT HXT  sing N N 273 
PRO N   CA   sing N N 274 
PRO N   CD   sing N N 275 
PRO N   H    sing N N 276 
PRO CA  C    sing N N 277 
PRO CA  CB   sing N N 278 
PRO CA  HA   sing N N 279 
PRO C   O    doub N N 280 
PRO C   OXT  sing N N 281 
PRO CB  CG   sing N N 282 
PRO CB  HB2  sing N N 283 
PRO CB  HB3  sing N N 284 
PRO CG  CD   sing N N 285 
PRO CG  HG2  sing N N 286 
PRO CG  HG3  sing N N 287 
PRO CD  HD2  sing N N 288 
PRO CD  HD3  sing N N 289 
PRO OXT HXT  sing N N 290 
SER N   CA   sing N N 291 
SER N   H    sing N N 292 
SER N   H2   sing N N 293 
SER CA  C    sing N N 294 
SER CA  CB   sing N N 295 
SER CA  HA   sing N N 296 
SER C   O    doub N N 297 
SER C   OXT  sing N N 298 
SER CB  OG   sing N N 299 
SER CB  HB2  sing N N 300 
SER CB  HB3  sing N N 301 
SER OG  HG   sing N N 302 
SER OXT HXT  sing N N 303 
THR N   CA   sing N N 304 
THR N   H    sing N N 305 
THR N   H2   sing N N 306 
THR CA  C    sing N N 307 
THR CA  CB   sing N N 308 
THR CA  HA   sing N N 309 
THR C   O    doub N N 310 
THR C   OXT  sing N N 311 
THR CB  OG1  sing N N 312 
THR CB  CG2  sing N N 313 
THR CB  HB   sing N N 314 
THR OG1 HG1  sing N N 315 
THR CG2 HG21 sing N N 316 
THR CG2 HG22 sing N N 317 
THR CG2 HG23 sing N N 318 
THR OXT HXT  sing N N 319 
TRP N   CA   sing N N 320 
TRP N   H    sing N N 321 
TRP N   H2   sing N N 322 
TRP CA  C    sing N N 323 
TRP CA  CB   sing N N 324 
TRP CA  HA   sing N N 325 
TRP C   O    doub N N 326 
TRP C   OXT  sing N N 327 
TRP CB  CG   sing N N 328 
TRP CB  HB2  sing N N 329 
TRP CB  HB3  sing N N 330 
TRP CG  CD1  doub Y N 331 
TRP CG  CD2  sing Y N 332 
TRP CD1 NE1  sing Y N 333 
TRP CD1 HD1  sing N N 334 
TRP CD2 CE2  doub Y N 335 
TRP CD2 CE3  sing Y N 336 
TRP NE1 CE2  sing Y N 337 
TRP NE1 HE1  sing N N 338 
TRP CE2 CZ2  sing Y N 339 
TRP CE3 CZ3  doub Y N 340 
TRP CE3 HE3  sing N N 341 
TRP CZ2 CH2  doub Y N 342 
TRP CZ2 HZ2  sing N N 343 
TRP CZ3 CH2  sing Y N 344 
TRP CZ3 HZ3  sing N N 345 
TRP CH2 HH2  sing N N 346 
TRP OXT HXT  sing N N 347 
TYR N   CA   sing N N 348 
TYR N   H    sing N N 349 
TYR N   H2   sing N N 350 
TYR CA  C    sing N N 351 
TYR CA  CB   sing N N 352 
TYR CA  HA   sing N N 353 
TYR C   O    doub N N 354 
TYR C   OXT  sing N N 355 
TYR CB  CG   sing N N 356 
TYR CB  HB2  sing N N 357 
TYR CB  HB3  sing N N 358 
TYR CG  CD1  doub Y N 359 
TYR CG  CD2  sing Y N 360 
TYR CD1 CE1  sing Y N 361 
TYR CD1 HD1  sing N N 362 
TYR CD2 CE2  doub Y N 363 
TYR CD2 HD2  sing N N 364 
TYR CE1 CZ   doub Y N 365 
TYR CE1 HE1  sing N N 366 
TYR CE2 CZ   sing Y N 367 
TYR CE2 HE2  sing N N 368 
TYR CZ  OH   sing N N 369 
TYR OH  HH   sing N N 370 
TYR OXT HXT  sing N N 371 
VAL N   CA   sing N N 372 
VAL N   H    sing N N 373 
VAL N   H2   sing N N 374 
VAL CA  C    sing N N 375 
VAL CA  CB   sing N N 376 
VAL CA  HA   sing N N 377 
VAL C   O    doub N N 378 
VAL C   OXT  sing N N 379 
VAL CB  CG1  sing N N 380 
VAL CB  CG2  sing N N 381 
VAL CB  HB   sing N N 382 
VAL CG1 HG11 sing N N 383 
VAL CG1 HG12 sing N N 384 
VAL CG1 HG13 sing N N 385 
VAL CG2 HG21 sing N N 386 
VAL CG2 HG22 sing N N 387 
VAL CG2 HG23 sing N N 388 
VAL OXT HXT  sing N N 389 
# 
_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                    9HSZ 
_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]   0.019947 
_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]   0.014137 
_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]   0.008399 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . LYS A 1 39  ? -9.29590  -22.28967 -44.92518 1.000 80.57815  ? 616 LYS A N    1 
ATOM   2    C CA   . LYS A 1 39  ? -10.13466 -23.19980 -44.15665 1.000 71.92852  ? 616 LYS A CA   1 
ATOM   3    C C    . LYS A 1 39  ? -9.58057  -23.37759 -42.74869 1.000 62.84429  ? 616 LYS A C    1 
ATOM   4    O O    . LYS A 1 39  ? -10.24762 -23.94333 -41.88687 1.000 64.22610  ? 616 LYS A O    1 
ATOM   5    C CB   . LYS A 1 39  ? -10.24166 -24.56233 -44.86005 1.000 71.61172  ? 616 LYS A CB   1 
ATOM   6    C CG   . LYS A 1 39  ? -11.59949 -25.24305 -44.71685 1.000 77.02879  ? 616 LYS A CG   1 
ATOM   7    C CD   . LYS A 1 39  ? -11.59963 -26.62104 -45.36451 1.000 76.47569  ? 616 LYS A CD   1 
ATOM   8    C CE   . LYS A 1 39  ? -11.04590 -26.55869 -46.78183 1.000 81.40276  ? 616 LYS A CE   1 
ATOM   9    N NZ   . LYS A 1 39  ? -11.02229 -27.89224 -47.44327 1.000 84.73559  ? 616 LYS A NZ   1 
ATOM   10   N N    . ASN A 1 40  ? -8.36609  -22.88912 -42.50396 1.000 56.94862  ? 617 ASN A N    1 
ATOM   11   C CA   . ASN A 1 40  ? -7.69462  -23.14152 -41.23688 1.000 55.94948  ? 617 ASN A CA   1 
ATOM   12   C C    . ASN A 1 40  ? -8.02881  -22.06125 -40.21464 1.000 53.59444  ? 617 ASN A C    1 
ATOM   13   O O    . ASN A 1 40  ? -7.64370  -20.89936 -40.38241 1.000 55.44825  ? 617 ASN A O    1 
ATOM   14   C CB   . ASN A 1 40  ? -6.18545  -23.22346 -41.41305 1.000 55.82393  ? 617 ASN A CB   1 
ATOM   15   C CG   . ASN A 1 40  ? -5.52636  -23.84827 -40.20884 1.000 50.80145  ? 617 ASN A CG   1 
ATOM   16   O OD1  . ASN A 1 40  ? -5.63832  -25.05246 -40.00242 1.000 54.67024  ? 617 ASN A OD1  1 
ATOM   17   N ND2  . ASN A 1 40  ? -4.86607  -23.03883 -39.39155 1.000 49.75685  ? 617 ASN A ND2  1 
ATOM   18   N N    . VAL A 1 41  ? -8.68793  -22.46061 -39.13095 1.000 47.07704  ? 618 VAL A N    1 
ATOM   19   C CA   . VAL A 1 41  ? -9.14478  -21.54615 -38.08899 1.000 45.04862  ? 618 VAL A CA   1 
ATOM   20   C C    . VAL A 1 41  ? -8.14287  -21.54982 -36.93527 1.000 40.08349  ? 618 VAL A C    1 
ATOM   21   O O    . VAL A 1 41  ? -7.85806  -22.60568 -36.35624 1.000 38.77513  ? 618 VAL A O    1 
ATOM   22   C CB   . VAL A 1 41  ? -10.54147 -21.94762 -37.58820 1.000 38.55535  ? 618 VAL A CB   1 
ATOM   23   C CG1  . VAL A 1 41  ? -10.96765 -21.04856 -36.45082 1.000 39.96073  ? 618 VAL A CG1  1 
ATOM   24   C CG2  . VAL A 1 41  ? -11.56147 -21.91656 -38.74441 1.000 45.23373  ? 618 VAL A CG2  1 
ATOM   25   N N    . VAL A 1 42  ? -7.66461  -20.36845 -36.55025 1.000 37.63427  ? 619 VAL A N    1 
ATOM   26   C CA   . VAL A 1 42  ? -6.71259  -20.24438 -35.44409 1.000 38.79818  ? 619 VAL A CA   1 
ATOM   27   C C    . VAL A 1 42  ? -7.46578  -20.07358 -34.13004 1.000 37.47898  ? 619 VAL A C    1 
ATOM   28   O O    . VAL A 1 42  ? -8.19477  -19.09137 -33.95382 1.000 36.66259  ? 619 VAL A O    1 
ATOM   29   C CB   . VAL A 1 42  ? -5.74479  -19.07558 -35.67190 1.000 36.62909  ? 619 VAL A CB   1 
ATOM   30   C CG1  . VAL A 1 42  ? -4.72375  -19.00014 -34.52769 1.000 35.00961  ? 619 VAL A CG1  1 
ATOM   31   C CG2  . VAL A 1 42  ? -5.03716  -19.25400 -37.00754 1.000 45.45921  ? 619 VAL A CG2  1 
ATOM   32   N N    . ILE A 1 43  ? -7.24050  -21.00253 -33.19207 1.000 36.56240  ? 620 ILE A N    1 
ATOM   33   C CA   . ILE A 1 43  ? -7.88977  -21.01982 -31.87811 1.000 35.09119  ? 620 ILE A CA   1 
ATOM   34   C C    . ILE A 1 43  ? -6.83797  -20.72459 -30.81003 1.000 38.12059  ? 620 ILE A C    1 
ATOM   35   O O    . ILE A 1 43  ? -5.73907  -21.29266 -30.84520 1.000 36.04892  ? 620 ILE A O    1 
ATOM   36   C CB   . ILE A 1 43  ? -8.55165  -22.38211 -31.60286 1.000 38.88483  ? 620 ILE A CB   1 
ATOM   37   C CG1  . ILE A 1 43  ? -9.49540  -22.79957 -32.75215 1.000 37.73197  ? 620 ILE A CG1  1 
ATOM   38   C CG2  . ILE A 1 43  ? -9.23563  -22.42002 -30.22098 1.000 33.74768  ? 620 ILE A CG2  1 
ATOM   39   C CD1  . ILE A 1 43  ? -10.65319 -21.89943 -32.98417 1.000 38.74297  ? 620 ILE A CD1  1 
ATOM   40   N N    . TYR A 1 44  ? -7.16529  -19.84142 -29.86605 1.000 38.61320  ? 621 TYR A N    1 
ATOM   41   C CA   . TYR A 1 44  ? -6.26619  -19.49593 -28.76537 1.000 39.72788  ? 621 TYR A CA   1 
ATOM   42   C C    . TYR A 1 44  ? -6.89249  -19.92925 -27.44844 1.000 41.19329  ? 621 TYR A C    1 
ATOM   43   O O    . TYR A 1 44  ? -8.03003  -19.54874 -27.14993 1.000 38.55866  ? 621 TYR A O    1 
ATOM   44   C CB   . TYR A 1 44  ? -5.98579  -17.98579 -28.72364 1.000 39.89690  ? 621 TYR A CB   1 
ATOM   45   C CG   . TYR A 1 44  ? -5.07365  -17.54167 -27.59176 1.000 38.94107  ? 621 TYR A CG   1 
ATOM   46   C CD1  . TYR A 1 44  ? -3.73140  -17.92704 -27.55514 1.000 40.33105  ? 621 TYR A CD1  1 
ATOM   47   C CD2  . TYR A 1 44  ? -5.53838  -16.70930 -26.58054 1.000 38.49694  ? 621 TYR A CD2  1 
ATOM   48   C CE1  . TYR A 1 44  ? -2.88934  -17.52113 -26.51764 1.000 35.86850  ? 621 TYR A CE1  1 
ATOM   49   C CE2  . TYR A 1 44  ? -4.70579  -16.29712 -25.54171 1.000 38.74115  ? 621 TYR A CE2  1 
ATOM   50   C CZ   . TYR A 1 44  ? -3.37801  -16.71436 -25.51569 1.000 41.45972  ? 621 TYR A CZ   1 
ATOM   51   O OH   . TYR A 1 44  ? -2.53302  -16.29803 -24.49227 1.000 42.00853  ? 621 TYR A OH   1 
ATOM   52   N N    . ALA A 1 45  ? -6.15052  -20.70543 -26.65478 1.000 36.03552  ? 622 ALA A N    1 
ATOM   53   C CA   . ALA A 1 45  ? -6.61698  -21.14170 -25.33799 1.000 42.98714  ? 622 ALA A CA   1 
ATOM   54   C C    . ALA A 1 45  ? -5.55195  -20.80783 -24.30582 1.000 40.64751  ? 622 ALA A C    1 
ATOM   55   O O    . ALA A 1 45  ? -4.47962  -21.41725 -24.30720 1.000 40.88055  ? 622 ALA A O    1 
ATOM   56   C CB   . ALA A 1 45  ? -6.92295  -22.64554 -25.32041 1.000 43.49415  ? 622 ALA A CB   1 
ATOM   57   N N    . ASP A 1 46  ? -5.83374  -19.85337 -23.43049 1.000 39.14803  ? 623 ASP A N    1 
ATOM   58   C CA   . ASP A 1 46  ? -4.84928  -19.47118 -22.42714 1.000 42.55319  ? 623 ASP A CA   1 
ATOM   59   C C    . ASP A 1 46  ? -5.21770  -20.06017 -21.06851 1.000 46.67658  ? 623 ASP A C    1 
ATOM   60   O O    . ASP A 1 46  ? -6.35560  -20.46910 -20.82576 1.000 43.62952  ? 623 ASP A O    1 
ATOM   61   C CB   . ASP A 1 46  ? -4.69955  -17.94260 -22.34622 1.000 43.32664  ? 623 ASP A CB   1 
ATOM   62   C CG   . ASP A 1 46  ? -6.02186  -17.20935 -22.12812 1.000 55.07734  ? 623 ASP A CG   1 
ATOM   63   O OD1  . ASP A 1 46  ? -7.10125  -17.85499 -22.12220 1.000 57.66565  ? 623 ASP A OD1  1 
ATOM   64   O OD2  . ASP A 1 46  ? -5.97752  -15.96917 -21.95933 1.000 49.88331  ? 623 ASP A OD2  1 
ATOM   65   N N    . GLY A 1 47  ? -4.22533  -20.14173 -20.19302 1.000 44.37450  ? 624 GLY A N    1 
ATOM   66   C CA   . GLY A 1 47  ? -4.46380  -20.69974 -18.87976 1.000 43.09843  ? 624 GLY A CA   1 
ATOM   67   C C    . GLY A 1 47  ? -3.16539  -20.87274 -18.12079 1.000 45.24659  ? 624 GLY A C    1 
ATOM   68   O O    . GLY A 1 47  ? -2.06644  -20.60859 -18.63064 1.000 40.18098  ? 624 GLY A O    1 
ATOM   69   N N    . VAL A 1 48  ? -3.32128  -21.30179 -16.87247 1.000 43.42855  ? 625 VAL A N    1 
ATOM   70   C CA   . VAL A 1 48  ? -2.15801  -21.56835 -16.03696 1.000 46.65781  ? 625 VAL A CA   1 
ATOM   71   C C    . VAL A 1 48  ? -1.56755  -22.92812 -16.37149 1.000 47.43475  ? 625 VAL A C    1 
ATOM   72   O O    . VAL A 1 48  ? -0.34685  -23.08171 -16.44265 1.000 47.00626  ? 625 VAL A O    1 
ATOM   73   C CB   . VAL A 1 48  ? -2.53288  -21.46535 -14.54788 1.000 45.70184  ? 625 VAL A CB   1 
ATOM   74   C CG1  . VAL A 1 48  ? -1.28412  -21.71782 -13.66591 1.000 46.13260  ? 625 VAL A CG1  1 
ATOM   75   C CG2  . VAL A 1 48  ? -3.13364  -20.10243 -14.23917 1.000 45.85394  ? 625 VAL A CG2  1 
ATOM   76   N N    . TYR A 1 49  ? -2.42282  -23.92614 -16.59094 1.000 43.76455  ? 626 TYR A N    1 
ATOM   77   C CA   . TYR A 1 49  ? -2.00373  -25.28874 -16.91076 1.000 39.59949  ? 626 TYR A CA   1 
ATOM   78   C C    . TYR A 1 49  ? -1.03361  -25.84313 -15.85987 1.000 45.68452  ? 626 TYR A C    1 
ATOM   79   O O    . TYR A 1 49  ? -0.02041  -26.47794 -16.17395 1.000 45.42993  ? 626 TYR A O    1 
ATOM   80   C CB   . TYR A 1 49  ? -1.41179  -25.34674 -18.31724 1.000 42.11047  ? 626 TYR A CB   1 
ATOM   81   C CG   . TYR A 1 49  ? -2.38564  -24.90553 -19.39665 1.000 44.09599  ? 626 TYR A CG   1 
ATOM   82   C CD1  . TYR A 1 49  ? -3.44296  -25.72588 -19.79049 1.000 44.21818  ? 626 TYR A CD1  1 
ATOM   83   C CD2  . TYR A 1 49  ? -2.25587  -23.66887 -20.01183 1.000 40.41550  ? 626 TYR A CD2  1 
ATOM   84   C CE1  . TYR A 1 49  ? -4.33678  -25.31978 -20.78264 1.000 37.73751  ? 626 TYR A CE1  1 
ATOM   85   C CE2  . TYR A 1 49  ? -3.13623  -23.26037 -20.99209 1.000 37.37173  ? 626 TYR A CE2  1 
ATOM   86   C CZ   . TYR A 1 49  ? -4.16755  -24.08695 -21.37331 1.000 42.05522  ? 626 TYR A CZ   1 
ATOM   87   O OH   . TYR A 1 49  ? -5.03512  -23.65944 -22.34753 1.000 45.15726  ? 626 TYR A OH   1 
ATOM   88   N N    . ASP A 1 50  ? -1.36239  -25.60005 -14.59037 1.000 46.61189  ? 627 ASP A N    1 
ATOM   89   C CA   . ASP A 1 50  ? -0.59004  -26.13250 -13.47683 1.000 46.97359  ? 627 ASP A CA   1 
ATOM   90   C C    . ASP A 1 50  ? -0.92537  -27.60372 -13.25648 1.000 53.01850  ? 627 ASP A C    1 
ATOM   91   O O    . ASP A 1 50  ? -2.09970  -27.97707 -13.20099 1.000 51.72488  ? 627 ASP A O    1 
ATOM   92   C CB   . ASP A 1 50  ? -0.87583  -25.33813 -12.20250 1.000 50.80663  ? 627 ASP A CB   1 
ATOM   93   C CG   . ASP A 1 50  ? 0.22149   -25.49231 -11.15803 1.000 56.02701  ? 627 ASP A CG   1 
ATOM   94   O OD1  . ASP A 1 50  ? 1.29043   -26.04248 -11.49500 1.000 53.43511  ? 627 ASP A OD1  1 
ATOM   95   O OD2  . ASP A 1 50  ? 0.02905   -25.05119 -10.00496 1.000 56.36233  ? 627 ASP A OD2  1 
ATOM   96   N N    . MET A 1 51  ? 0.10548   -28.43698 -13.12962 1.000 49.02457  ? 628 MET A N    1 
ATOM   97   C CA   . MET A 1 51  ? -0.05215  -29.85544 -12.81398 1.000 51.41995  ? 628 MET A CA   1 
ATOM   98   C C    . MET A 1 51  ? -1.10718  -30.50427 -13.71635 1.000 49.30526  ? 628 MET A C    1 
ATOM   99   O O    . MET A 1 51  ? -2.11649  -31.04439 -13.26544 1.000 48.52164  ? 628 MET A O    1 
ATOM   100  C CB   . MET A 1 51  ? -0.38988  -30.04114 -11.33279 1.000 54.83807  ? 628 MET A CB   1 
ATOM   101  C CG   . MET A 1 51  ? 0.70538   -29.53553 -10.39025 1.000 58.28815  ? 628 MET A CG   1 
ATOM   102  S SD   . MET A 1 51  ? 0.33635   -29.76531 -8.63531  1.000 75.34482  ? 628 MET A SD   1 
ATOM   103  C CE   . MET A 1 51  ? -1.21263  -28.86390 -8.49320  1.000 73.26687  ? 628 MET A CE   1 
ATOM   104  N N    . LEU A 1 52  ? -0.82007  -30.47675 -15.01414 1.000 46.23246  ? 629 LEU A N    1 
ATOM   105  C CA   . LEU A 1 52  ? -1.80237  -30.81858 -16.03943 1.000 46.53812  ? 629 LEU A CA   1 
ATOM   106  C C    . LEU A 1 52  ? -2.42248  -32.19275 -15.81479 1.000 46.29423  ? 629 LEU A C    1 
ATOM   107  O O    . LEU A 1 52  ? -1.72441  -33.16706 -15.53259 1.000 48.04591  ? 629 LEU A O    1 
ATOM   108  C CB   . LEU A 1 52  ? -1.12527  -30.78898 -17.40648 1.000 44.49271  ? 629 LEU A CB   1 
ATOM   109  C CG   . LEU A 1 52  ? -2.00457  -30.56360 -18.63491 1.000 40.68595  ? 629 LEU A CG   1 
ATOM   110  C CD1  . LEU A 1 52  ? -2.17643  -29.08100 -18.83547 1.000 39.13059  ? 629 LEU A CD1  1 
ATOM   111  C CD2  . LEU A 1 52  ? -1.32823  -31.19978 -19.84992 1.000 42.34501  ? 629 LEU A CD2  1 
ATOM   112  N N    . HIS A 1 53  ? -3.74377  -32.28150 -15.98453 1.000 44.08439  ? 630 HIS A N    1 
ATOM   113  C CA   . HIS A 1 53  ? -4.46152  -33.53072 -15.75598 1.000 46.86021  ? 630 HIS A CA   1 
ATOM   114  C C    . HIS A 1 53  ? -5.47216  -33.76478 -16.87848 1.000 42.01340  ? 630 HIS A C    1 
ATOM   115  O O    . HIS A 1 53  ? -5.56839  -32.99368 -17.83100 1.000 40.88169  ? 630 HIS A O    1 
ATOM   116  C CB   . HIS A 1 53  ? -5.14222  -33.53940 -14.37577 1.000 52.78508  ? 630 HIS A CB   1 
ATOM   117  C CG   . HIS A 1 53  ? -5.97139  -32.32392 -14.09990 1.000 55.11516  ? 630 HIS A CG   1 
ATOM   118  N ND1  . HIS A 1 53  ? -7.15183  -32.06104 -14.76112 1.000 55.70737  ? 630 HIS A ND1  1 
ATOM   119  C CD2  . HIS A 1 53  ? -5.79327  -31.30230 -13.22805 1.000 57.95271  ? 630 HIS A CD2  1 
ATOM   120  C CE1  . HIS A 1 53  ? -7.66302  -30.92788 -14.31241 1.000 58.94601  ? 630 HIS A CE1  1 
ATOM   121  N NE2  . HIS A 1 53  ? -6.85912  -30.44780 -13.38101 1.000 58.25972  ? 630 HIS A NE2  1 
ATOM   122  N N    . LEU A 1 54  ? -6.21249  -34.86834 -16.76824 1.000 45.15006  ? 631 LEU A N    1 
ATOM   123  C CA   . LEU A 1 54  ? -7.18757  -35.22971 -17.79443 1.000 45.29161  ? 631 LEU A CA   1 
ATOM   124  C C    . LEU A 1 54  ? -8.15580  -34.09243 -18.08131 1.000 47.63599  ? 631 LEU A C    1 
ATOM   125  O O    . LEU A 1 54  ? -8.59821  -33.92371 -19.22363 1.000 45.15648  ? 631 LEU A O    1 
ATOM   126  C CB   . LEU A 1 54  ? -7.96197  -36.47398 -17.36180 1.000 47.20667  ? 631 LEU A CB   1 
ATOM   127  C CG   . LEU A 1 54  ? -8.07793  -37.66208 -18.31990 1.000 51.01798  ? 631 LEU A CG   1 
ATOM   128  C CD1  . LEU A 1 54  ? -9.35329  -38.44202 -18.03694 1.000 51.01230  ? 631 LEU A CD1  1 
ATOM   129  C CD2  . LEU A 1 54  ? -8.01614  -37.24218 -19.78356 1.000 47.23520  ? 631 LEU A CD2  1 
ATOM   130  N N    . GLY A 1 55  ? -8.50286  -33.30751 -17.06036 1.000 49.94426  ? 632 GLY A N    1 
ATOM   131  C CA   . GLY A 1 55  ? -9.41614  -32.19762 -17.27532 1.000 50.07876  ? 632 GLY A CA   1 
ATOM   132  C C    . GLY A 1 55  ? -8.86495  -31.16636 -18.23941 1.000 48.06487  ? 632 GLY A C    1 
ATOM   133  O O    . GLY A 1 55  ? -9.55931  -30.73282 -19.16678 1.000 43.43950  ? 632 GLY A O    1 
ATOM   134  N N    . HIS A 1 56  ? -7.60714  -30.74613 -18.02849 1.000 44.97094  ? 633 HIS A N    1 
ATOM   135  C CA   . HIS A 1 56  ? -6.96439  -29.84044 -18.97785 1.000 37.94757  ? 633 HIS A CA   1 
ATOM   136  C C    . HIS A 1 56  ? -6.96899  -30.44319 -20.36696 1.000 40.93765  ? 633 HIS A C    1 
ATOM   137  O O    . HIS A 1 56  ? -7.22498  -29.75145 -21.36266 1.000 40.31203  ? 633 HIS A O    1 
ATOM   138  C CB   . HIS A 1 56  ? -5.50642  -29.55401 -18.58604 1.000 44.47954  ? 633 HIS A CB   1 
ATOM   139  C CG   . HIS A 1 56  ? -5.33755  -28.83886 -17.28326 1.000 48.43673  ? 633 HIS A CG   1 
ATOM   140  N ND1  . HIS A 1 56  ? -4.90055  -29.47292 -16.14290 1.000 44.49212  ? 633 HIS A ND1  1 
ATOM   141  C CD2  . HIS A 1 56  ? -5.49488  -27.53676 -16.95200 1.000 49.61251  ? 633 HIS A CD2  1 
ATOM   142  C CE1  . HIS A 1 56  ? -4.81835  -28.59648 -15.15802 1.000 50.77782  ? 633 HIS A CE1  1 
ATOM   143  N NE2  . HIS A 1 56  ? -5.17189  -27.41336 -15.62300 1.000 51.23911  ? 633 HIS A NE2  1 
ATOM   144  N N    . MET A 1 57  ? -6.60891  -31.72817 -20.45365 1.000 39.53564  ? 634 MET A N    1 
ATOM   145  C CA   . MET A 1 57  ? -6.36973  -32.35617 -21.75116 1.000 43.23734  ? 634 MET A CA   1 
ATOM   146  C C    . MET A 1 57  ? -7.65602  -32.46563 -22.55848 1.000 38.35526  ? 634 MET A C    1 
ATOM   147  O O    . MET A 1 57  ? -7.66579  -32.20337 -23.76480 1.000 39.70534  ? 634 MET A O    1 
ATOM   148  C CB   . MET A 1 57  ? -5.74768  -33.73863 -21.54832 1.000 37.35767  ? 634 MET A CB   1 
ATOM   149  C CG   . MET A 1 57  ? -4.33127  -33.69987 -20.91550 1.000 36.91635  ? 634 MET A CG   1 
ATOM   150  S SD   . MET A 1 57  ? -3.88478  -35.33296 -20.37544 1.000 43.15021  ? 634 MET A SD   1 
ATOM   151  C CE   . MET A 1 57  ? -2.46676  -34.95446 -19.33110 1.000 44.26053  ? 634 MET A CE   1 
ATOM   152  N N    . LYS A 1 58  ? -8.74510  -32.87653 -21.91656 1.000 40.12548  ? 635 LYS A N    1 
ATOM   153  C CA   . LYS A 1 58  ? -10.02736 -32.95452 -22.61953 1.000 42.01377  ? 635 LYS A CA   1 
ATOM   154  C C    . LYS A 1 58  ? -10.48322 -31.58659 -23.09270 1.000 42.78723  ? 635 LYS A C    1 
ATOM   155  O O    . LYS A 1 58  ? -11.11297 -31.46942 -24.15422 1.000 41.39050  ? 635 LYS A O    1 
ATOM   156  C CB   . LYS A 1 58  ? -11.08491 -33.56913 -21.70875 1.000 40.42897  ? 635 LYS A CB   1 
ATOM   157  C CG   . LYS A 1 58  ? -10.87817 -35.04146 -21.47782 1.000 43.04855  ? 635 LYS A CG   1 
ATOM   158  C CD   . LYS A 1 58  ? -11.66288 -35.53786 -20.26696 1.000 49.07059  ? 635 LYS A CD   1 
ATOM   159  C CE   . LYS A 1 58  ? -13.01040 -36.06847 -20.67806 1.000 59.44158  ? 635 LYS A CE   1 
ATOM   160  N NZ   . LYS A 1 58  ? -13.10965 -37.53311 -20.38495 1.000 71.40750  ? 635 LYS A NZ   1 
ATOM   161  N N    . GLN A 1 59  ? -10.17004 -30.54708 -22.31596 1.000 42.09878  ? 636 GLN A N    1 
ATOM   162  C CA   . GLN A 1 59  ? -10.51676 -29.18432 -22.69058 1.000 41.47133  ? 636 GLN A CA   1 
ATOM   163  C C    . GLN A 1 59  ? -9.71597  -28.72105 -23.89222 1.000 40.91615  ? 636 GLN A C    1 
ATOM   164  O O    . GLN A 1 59  ? -10.25067 -28.04481 -24.77651 1.000 37.82230  ? 636 GLN A O    1 
ATOM   165  C CB   . GLN A 1 59  ? -10.26999 -28.24834 -21.51891 1.000 45.23494  ? 636 GLN A CB   1 
ATOM   166  C CG   . GLN A 1 59  ? -10.74631 -26.84437 -21.76122 1.000 47.48453  ? 636 GLN A CG   1 
ATOM   167  C CD   . GLN A 1 59  ? -10.98344 -26.10243 -20.46243 1.000 61.37047  ? 636 GLN A CD   1 
ATOM   168  O OE1  . GLN A 1 59  ? -10.20488 -26.23141 -19.51340 1.000 61.72310  ? 636 GLN A OE1  1 
ATOM   169  N NE2  . GLN A 1 59  ? -12.06731 -25.33364 -20.40435 1.000 60.49341  ? 636 GLN A NE2  1 
ATOM   170  N N    . LEU A 1 60  ? -8.41799  -29.04882 -23.92187 1.000 37.43897  ? 637 LEU A N    1 
ATOM   171  C CA   . LEU A 1 60  ? -7.60140  -28.72631 -25.08401 1.000 38.82252  ? 637 LEU A CA   1 
ATOM   172  C C    . LEU A 1 60  ? -8.07996  -29.48443 -26.31264 1.000 36.76360  ? 637 LEU A C    1 
ATOM   173  O O    . LEU A 1 60  ? -8.08870  -28.94145 -27.42241 1.000 37.21286  ? 637 LEU A O    1 
ATOM   174  C CB   . LEU A 1 60  ? -6.13200  -29.04428 -24.79269 1.000 33.93227  ? 637 LEU A CB   1 
ATOM   175  C CG   . LEU A 1 60  ? -5.49609  -28.18473 -23.70487 1.000 36.54737  ? 637 LEU A CG   1 
ATOM   176  C CD1  . LEU A 1 60  ? -4.05351  -28.66156 -23.37071 1.000 40.77185  ? 637 LEU A CD1  1 
ATOM   177  C CD2  . LEU A 1 60  ? -5.48322  -26.74276 -24.17859 1.000 39.89135  ? 637 LEU A CD2  1 
ATOM   178  N N    . GLU A 1 61  ? -8.44851  -30.75589 -26.13612 1.000 36.51749  ? 638 GLU A N    1 
ATOM   179  C CA   . GLU A 1 61  ? -9.02822  -31.52093 -27.23087 1.000 38.60115  ? 638 GLU A CA   1 
ATOM   180  C C    . GLU A 1 61  ? -10.25450 -30.81080 -27.80101 1.000 38.54431  ? 638 GLU A C    1 
ATOM   181  O O    . GLU A 1 61  ? -10.43140 -30.74331 -29.02310 1.000 35.59402  ? 638 GLU A O    1 
ATOM   182  C CB   . GLU A 1 61  ? -9.40326  -32.92712 -26.75359 1.000 38.96126  ? 638 GLU A CB   1 
ATOM   183  C CG   . GLU A 1 61  ? -9.87357  -33.82915 -27.88077 1.000 39.87921  ? 638 GLU A CG   1 
ATOM   184  C CD   . GLU A 1 61  ? -10.42450 -35.16616 -27.41415 1.000 44.10173  ? 638 GLU A CD   1 
ATOM   185  O OE1  . GLU A 1 61  ? -10.46575 -35.43070 -26.19060 1.000 44.31728  ? 638 GLU A OE1  1 
ATOM   186  O OE2  . GLU A 1 61  ? -10.83568 -35.95835 -28.29143 1.000 45.06499  ? 638 GLU A OE2  1 
ATOM   187  N N    . GLN A 1 62  ? -11.10814 -30.27151 -26.92495 1.000 39.00772  ? 639 GLN A N    1 
ATOM   188  C CA   . GLN A 1 62  ? -12.33810 -29.61823 -27.38413 1.000 37.23279  ? 639 GLN A CA   1 
ATOM   189  C C    . GLN A 1 62  ? -12.02013 -28.38060 -28.19992 1.000 39.34081  ? 639 GLN A C    1 
ATOM   190  O O    . GLN A 1 62  ? -12.56441 -28.19245 -29.29162 1.000 38.74978  ? 639 GLN A O    1 
ATOM   191  C CB   . GLN A 1 62  ? -13.22197 -29.23366 -26.20049 1.000 41.91942  ? 639 GLN A CB   1 
ATOM   192  C CG   . GLN A 1 62  ? -13.83219 -30.40256 -25.47174 1.000 46.96017  ? 639 GLN A CG   1 
ATOM   193  C CD   . GLN A 1 62  ? -14.58361 -29.93785 -24.23186 1.000 63.46010  ? 639 GLN A CD   1 
ATOM   194  O OE1  . GLN A 1 62  ? -15.54504 -29.17782 -24.33065 1.000 61.51770  ? 639 GLN A OE1  1 
ATOM   195  N NE2  . GLN A 1 62  ? -14.11800 -30.36564 -23.05344 1.000 62.41316  ? 639 GLN A NE2  1 
ATOM   196  N N    . ALA A 1 63  ? -11.10226 -27.54242 -27.69918 1.000 38.86701  ? 640 ALA A N    1 
ATOM   197  C CA   . ALA A 1 63  ? -10.69264 -26.35442 -28.43918 1.000 38.89867  ? 640 ALA A CA   1 
ATOM   198  C C    . ALA A 1 63  ? -10.10462 -26.73377 -29.79698 1.000 38.91519  ? 640 ALA A C    1 
ATOM   199  O O    . ALA A 1 63  ? -10.42929 -26.12412 -30.81860 1.000 38.24186  ? 640 ALA A O    1 
ATOM   200  C CB   . ALA A 1 63  ? -9.68585  -25.54251 -27.61231 1.000 35.77662  ? 640 ALA A CB   1 
ATOM   201  N N    . LYS A 1 64  ? -9.22805  -27.74056 -29.82573 1.000 41.25482  ? 641 LYS A N    1 
ATOM   202  C CA   . LYS A 1 64  ? -8.63803  -28.16857 -31.09356 1.000 37.32730  ? 641 LYS A CA   1 
ATOM   203  C C    . LYS A 1 64  ? -9.71142  -28.61598 -32.08997 1.000 40.90266  ? 641 LYS A C    1 
ATOM   204  O O    . LYS A 1 64  ? -9.58093  -28.38851 -33.30107 1.000 36.91521  ? 641 LYS A O    1 
ATOM   205  C CB   . LYS A 1 64  ? -7.64017  -29.29298 -30.84786 1.000 35.79340  ? 641 LYS A CB   1 
ATOM   206  C CG   . LYS A 1 64  ? -7.11359  -29.96689 -32.10995 1.000 35.60685  ? 641 LYS A CG   1 
ATOM   207  C CD   . LYS A 1 64  ? -6.14532  -29.06937 -32.89244 1.000 36.33525  ? 641 LYS A CD   1 
ATOM   208  C CE   . LYS A 1 64  ? -5.68992  -29.77241 -34.17538 1.000 37.15497  ? 641 LYS A CE   1 
ATOM   209  N NZ   . LYS A 1 64  ? -5.06559  -28.82096 -35.12161 1.000 39.90523  ? 641 LYS A NZ   1 
ATOM   210  N N    . LYS A 1 65  ? -10.77513 -29.25849 -31.60595 1.000 40.40580  ? 642 LYS A N    1 
ATOM   211  C CA   . LYS A 1 65  ? -11.78639 -29.83044 -32.48438 1.000 39.85029  ? 642 LYS A CA   1 
ATOM   212  C C    . LYS A 1 65  ? -12.96711 -28.89445 -32.70116 1.000 41.18740  ? 642 LYS A C    1 
ATOM   213  O O    . LYS A 1 65  ? -14.01754 -29.33751 -33.17210 1.000 39.94049  ? 642 LYS A O    1 
ATOM   214  C CB   . LYS A 1 65  ? -12.26483 -31.18626 -31.95079 1.000 42.16681  ? 642 LYS A CB   1 
ATOM   215  C CG   . LYS A 1 65  ? -11.13929 -32.22559 -31.92015 1.000 40.58946  ? 642 LYS A CG   1 
ATOM   216  C CD   . LYS A 1 65  ? -11.57116 -33.61881 -31.48233 1.000 44.45039  ? 642 LYS A CD   1 
ATOM   217  C CE   . LYS A 1 65  ? -10.46201 -34.63194 -31.74868 1.000 45.97702  ? 642 LYS A CE   1 
ATOM   218  N NZ   . LYS A 1 65  ? -10.65097 -35.92673 -31.04329 1.000 46.34016  ? 642 LYS A NZ   1 
ATOM   219  N N    . LEU A 1 66  ? -12.80943 -27.60198 -32.39994 1.000 39.44492  ? 643 LEU A N    1 
ATOM   220  C CA   . LEU A 1 66  ? -13.92504 -26.67657 -32.59832 1.000 43.19649  ? 643 LEU A CA   1 
ATOM   221  C C    . LEU A 1 66  ? -14.30178 -26.54044 -34.07038 1.000 44.75634  ? 643 LEU A C    1 
ATOM   222  O O    . LEU A 1 66  ? -15.46321 -26.25954 -34.38577 1.000 42.77016  ? 643 LEU A O    1 
ATOM   223  C CB   . LEU A 1 66  ? -13.57696 -25.30727 -32.01338 1.000 42.86610  ? 643 LEU A CB   1 
ATOM   224  C CG   . LEU A 1 66  ? -13.62400 -25.21193 -30.48369 1.000 39.58464  ? 643 LEU A CG   1 
ATOM   225  C CD1  . LEU A 1 66  ? -12.96686 -23.93864 -30.02439 1.000 38.95137  ? 643 LEU A CD1  1 
ATOM   226  C CD2  . LEU A 1 66  ? -15.06976 -25.28266 -29.99419 1.000 43.49574  ? 643 LEU A CD2  1 
ATOM   227  N N    . PHE A 1 67  ? -13.33786 -26.68482 -34.97921 1.000 40.55440  ? 644 PHE A N    1 
ATOM   228  C CA   . PHE A 1 67  ? -13.61943 -26.68565 -36.40643 1.000 46.92061  ? 644 PHE A CA   1 
ATOM   229  C C    . PHE A 1 67  ? -12.84006 -27.83120 -37.02314 1.000 46.40200  ? 644 PHE A C    1 
ATOM   230  O O    . PHE A 1 67  ? -11.95024 -28.40380 -36.39479 1.000 45.16960  ? 644 PHE A O    1 
ATOM   231  C CB   . PHE A 1 67  ? -13.26812 -25.34901 -37.07381 1.000 42.97257  ? 644 PHE A CB   1 
ATOM   232  C CG   . PHE A 1 67  ? -14.04572 -24.18154 -36.52918 1.000 46.04292  ? 644 PHE A CG   1 
ATOM   233  C CD1  . PHE A 1 67  ? -15.27599 -23.84357 -37.05958 1.000 49.25539  ? 644 PHE A CD1  1 
ATOM   234  C CD2  . PHE A 1 67  ? -13.55120 -23.43654 -35.46746 1.000 44.80954  ? 644 PHE A CD2  1 
ATOM   235  C CE1  . PHE A 1 67  ? -16.00139 -22.77047 -36.55417 1.000 47.96755  ? 644 PHE A CE1  1 
ATOM   236  C CE2  . PHE A 1 67  ? -14.27796 -22.36142 -34.95147 1.000 41.48658  ? 644 PHE A CE2  1 
ATOM   237  C CZ   . PHE A 1 67  ? -15.49007 -22.02808 -35.49618 1.000 44.81982  ? 644 PHE A CZ   1 
ATOM   238  N N    . GLU A 1 68  ? -13.20452 -28.17959 -38.25788 1.000 43.02704  ? 645 GLU A N    1 
ATOM   239  C CA   . GLU A 1 68  ? -12.55985 -29.29698 -38.93761 1.000 47.13539  ? 645 GLU A CA   1 
ATOM   240  C C    . GLU A 1 68  ? -11.04746 -29.09593 -39.06240 1.000 47.58619  ? 645 GLU A C    1 
ATOM   241  O O    . GLU A 1 68  ? -10.26867 -30.02169 -38.80955 1.000 49.92217  ? 645 GLU A O    1 
ATOM   242  C CB   . GLU A 1 68  ? -13.19081 -29.48527 -40.31106 1.000 54.92465  ? 645 GLU A CB   1 
ATOM   243  C CG   . GLU A 1 68  ? -12.58999 -30.62410 -41.08830 1.000 60.42065  ? 645 GLU A CG   1 
ATOM   244  C CD   . GLU A 1 68  ? -13.17531 -30.73496 -42.47913 1.000 69.78660  ? 645 GLU A CD   1 
ATOM   245  O OE1  . GLU A 1 68  ? -13.79125 -29.74388 -42.93674 1.000 70.19209  ? 645 GLU A OE1  1 
ATOM   246  O OE2  . GLU A 1 68  ? -13.01410 -31.80971 -43.10646 1.000 72.66768  ? 645 GLU A OE2  1 
ATOM   247  N N    . ASN A 1 69  ? -10.61102 -27.90210 -39.46382 1.000 45.33280  ? 646 ASN A N    1 
ATOM   248  C CA   . ASN A 1 69  ? -9.19127  -27.59691 -39.66345 1.000 48.47902  ? 646 ASN A CA   1 
ATOM   249  C C    . ASN A 1 69  ? -8.80610  -26.43271 -38.76255 1.000 44.85217  ? 646 ASN A C    1 
ATOM   250  O O    . ASN A 1 69  ? -9.31198  -25.31827 -38.94419 1.000 44.07170  ? 646 ASN A O    1 
ATOM   251  C CB   . ASN A 1 69  ? -8.90199  -27.24515 -41.12720 1.000 51.98293  ? 646 ASN A CB   1 
ATOM   252  C CG   . ASN A 1 69  ? -9.12080  -28.41656 -42.06125 1.000 59.74812  ? 646 ASN A CG   1 
ATOM   253  O OD1  . ASN A 1 69  ? -9.93215  -28.34714 -42.99172 1.000 63.89795  ? 646 ASN A OD1  1 
ATOM   254  N ND2  . ASN A 1 69  ? -8.39854  -29.50638 -41.81785 1.000 56.19267  ? 646 ASN A ND2  1 
ATOM   255  N N    . THR A 1 70  ? -7.91566  -26.68493 -37.79816 1.000 40.69797  ? 647 THR A N    1 
ATOM   256  C CA   . THR A 1 70  ? -7.54239  -25.66941 -36.82478 1.000 40.27229  ? 647 THR A CA   1 
ATOM   257  C C    . THR A 1 70  ? -6.03787  -25.66305 -36.57817 1.000 40.24888  ? 647 THR A C    1 
ATOM   258  O O    . THR A 1 70  ? -5.32512  -26.64631 -36.81480 1.000 39.56735  ? 647 THR A O    1 
ATOM   259  C CB   . THR A 1 70  ? -8.24176  -25.87218 -35.46893 1.000 44.04243  ? 647 THR A CB   1 
ATOM   260  O OG1  . THR A 1 70  ? -7.73295  -27.05634 -34.83725 1.000 36.35441  ? 647 THR A OG1  1 
ATOM   261  C CG2  . THR A 1 70  ? -9.77940  -25.98123 -35.64081 1.000 40.44506  ? 647 THR A CG2  1 
ATOM   262  N N    . THR A 1 71  ? -5.57218  -24.53002 -36.07136 1.000 38.12263  ? 648 THR A N    1 
ATOM   263  C CA   . THR A 1 71  ? -4.30674  -24.43566 -35.35235 1.000 39.12250  ? 648 THR A CA   1 
ATOM   264  C C    . THR A 1 71  ? -4.64996  -24.00106 -33.93204 1.000 38.06330  ? 648 THR A C    1 
ATOM   265  O O    . THR A 1 71  ? -5.21634  -22.92300 -33.73981 1.000 38.06987  ? 648 THR A O    1 
ATOM   266  C CB   . THR A 1 71  ? -3.37074  -23.42571 -36.01291 1.000 36.35138  ? 648 THR A CB   1 
ATOM   267  O OG1  . THR A 1 71  ? -3.10653  -23.83586 -37.34936 1.000 41.50898  ? 648 THR A OG1  1 
ATOM   268  C CG2  . THR A 1 71  ? -2.04667  -23.30069 -35.24561 1.000 40.34087  ? 648 THR A CG2  1 
ATOM   269  N N    . LEU A 1 72  ? -4.32908  -24.83167 -32.94416 1.000 37.87210  ? 649 LEU A N    1 
ATOM   270  C CA   . LEU A 1 72  ? -4.55431  -24.46575 -31.54481 1.000 33.41670  ? 649 LEU A CA   1 
ATOM   271  C C    . LEU A 1 72  ? -3.27959  -23.84764 -30.96725 1.000 36.39116  ? 649 LEU A C    1 
ATOM   272  O O    . LEU A 1 72  ? -2.27220  -24.53407 -30.79203 1.000 35.14043  ? 649 LEU A O    1 
ATOM   273  C CB   . LEU A 1 72  ? -4.98749  -25.67112 -30.72230 1.000 32.59695  ? 649 LEU A CB   1 
ATOM   274  C CG   . LEU A 1 72  ? -5.13586  -25.34295 -29.22878 1.000 34.61707  ? 649 LEU A CG   1 
ATOM   275  C CD1  . LEU A 1 72  ? -6.22578  -24.27015 -29.00711 1.000 36.43853  ? 649 LEU A CD1  1 
ATOM   276  C CD2  . LEU A 1 72  ? -5.41689  -26.58753 -28.42417 1.000 36.17191  ? 649 LEU A CD2  1 
ATOM   277  N N    . ILE A 1 73  ? -3.33915  -22.55921 -30.64089 1.000 37.52644  ? 650 ILE A N    1 
ATOM   278  C CA   . ILE A 1 73  ? -2.28195  -21.86596 -29.90999 1.000 38.12019  ? 650 ILE A CA   1 
ATOM   279  C C    . ILE A 1 73  ? -2.65855  -21.88168 -28.43198 1.000 39.00296  ? 650 ILE A C    1 
ATOM   280  O O    . ILE A 1 73  ? -3.77801  -21.50495 -28.07595 1.000 38.86443  ? 650 ILE A O    1 
ATOM   281  C CB   . ILE A 1 73  ? -2.13042  -20.42140 -30.41328 1.000 39.33232  ? 650 ILE A CB   1 
ATOM   282  C CG1  . ILE A 1 73  ? -1.97952  -20.40059 -31.93462 1.000 39.54630  ? 650 ILE A CG1  1 
ATOM   283  C CG2  . ILE A 1 73  ? -0.95944  -19.69884 -29.69857 1.000 37.23540  ? 650 ILE A CG2  1 
ATOM   284  C CD1  . ILE A 1 73  ? -1.86964  -19.00550 -32.51027 1.000 39.97225  ? 650 ILE A CD1  1 
ATOM   285  N N    . VAL A 1 74  ? -1.74474  -22.32531 -27.56937 1.000 35.47122  ? 651 VAL A N    1 
ATOM   286  C CA   . VAL A 1 74  ? -1.98168  -22.35645 -26.12514 1.000 34.30157  ? 651 VAL A CA   1 
ATOM   287  C C    . VAL A 1 74  ? -1.10447  -21.30250 -25.47170 1.000 38.64675  ? 651 VAL A C    1 
ATOM   288  O O    . VAL A 1 74  ? 0.10416   -21.24408 -25.74285 1.000 36.91512  ? 651 VAL A O    1 
ATOM   289  C CB   . VAL A 1 74  ? -1.69568  -23.74698 -25.53769 1.000 35.96088  ? 651 VAL A CB   1 
ATOM   290  C CG1  . VAL A 1 74  ? -1.71991  -23.68480 -24.03022 1.000 37.32568  ? 651 VAL A CG1  1 
ATOM   291  C CG2  . VAL A 1 74  ? -2.73916  -24.74973 -26.05664 1.000 43.35813  ? 651 VAL A CG2  1 
ATOM   292  N N    . GLY A 1 75  ? -1.70237  -20.47118 -24.62806 1.000 37.39591  ? 652 GLY A N    1 
ATOM   293  C CA   . GLY A 1 75  ? -0.96926  -19.47418 -23.86843 1.000 35.81514  ? 652 GLY A CA   1 
ATOM   294  C C    . GLY A 1 75  ? -0.80131  -19.92999 -22.43308 1.000 41.86084  ? 652 GLY A C    1 
ATOM   295  O O    . GLY A 1 75  ? -1.74839  -20.41075 -21.80309 1.000 38.74945  ? 652 GLY A O    1 
ATOM   296  N N    . VAL A 1 76  ? 0.41682   -19.77191 -21.91669 1.000 38.83400  ? 653 VAL A N    1 
ATOM   297  C CA   . VAL A 1 76  ? 0.76678   -20.17754 -20.55829 1.000 38.55543  ? 653 VAL A CA   1 
ATOM   298  C C    . VAL A 1 76  ? 1.09797   -18.92299 -19.75554 1.000 40.79907  ? 653 VAL A C    1 
ATOM   299  O O    . VAL A 1 76  ? 2.02011   -18.17342 -20.11086 1.000 41.70282  ? 653 VAL A O    1 
ATOM   300  C CB   . VAL A 1 76  ? 1.94698   -21.16639 -20.55366 1.000 42.45549  ? 653 VAL A CB   1 
ATOM   301  C CG1  . VAL A 1 76  ? 2.12565   -21.75782 -19.17050 1.000 38.33865  ? 653 VAL A CG1  1 
ATOM   302  C CG2  . VAL A 1 76  ? 1.71456   -22.28208 -21.58328 1.000 36.51437  ? 653 VAL A CG2  1 
ATOM   303  N N    . THR A 1 77  ? 0.36003   -18.70011 -18.66686 1.000 37.54843  ? 654 THR A N    1 
ATOM   304  C CA   . THR A 1 77  ? 0.51343   -17.48060 -17.89113 1.000 41.12194  ? 654 THR A CA   1 
ATOM   305  C C    . THR A 1 77  ? 1.84958   -17.47900 -17.13822 1.000 42.24795  ? 654 THR A C    1 
ATOM   306  O O    . THR A 1 77  ? 2.37508   -18.52572 -16.75829 1.000 42.72598  ? 654 THR A O    1 
ATOM   307  C CB   . THR A 1 77  ? -0.64542  -17.33620 -16.89841 1.000 48.93662  ? 654 THR A CB   1 
ATOM   308  O OG1  . THR A 1 77  ? -0.76598  -18.53854 -16.12704 1.000 48.38545  ? 654 THR A OG1  1 
ATOM   309  C CG2  . THR A 1 77  ? -1.97519  -17.06591 -17.62229 1.000 44.17887  ? 654 THR A CG2  1 
ATOM   310  N N    . SER A 1 78  ? 2.37535   -16.28465 -16.88915 1.000 45.70335  ? 655 SER A N    1 
ATOM   311  C CA   . SER A 1 78  ? 3.64166   -16.13716 -16.17078 1.000 51.05042  ? 655 SER A CA   1 
ATOM   312  C C    . SER A 1 78  ? 3.48776   -16.47624 -14.68596 1.000 52.40795  ? 655 SER A C    1 
ATOM   313  O O    . SER A 1 78  ? 2.40408   -16.37123 -14.10966 1.000 49.44906  ? 655 SER A O    1 
ATOM   314  C CB   . SER A 1 78  ? 4.16045   -14.70812 -16.29667 1.000 50.67634  ? 655 SER A CB   1 
ATOM   315  O OG   . SER A 1 78  ? 3.45379   -13.85753 -15.41368 1.000 52.52681  ? 655 SER A OG   1 
ATOM   316  N N    . ASP A 1 79  ? 4.61028   -16.85418 -14.05482 1.000 50.51697  ? 656 ASP A N    1 
ATOM   317  C CA   . ASP A 1 79  ? 4.59739   -17.15055 -12.62059 1.000 55.59155  ? 656 ASP A CA   1 
ATOM   318  C C    . ASP A 1 79  ? 4.18700   -15.93056 -11.80377 1.000 59.01437  ? 656 ASP A C    1 
ATOM   319  O O    . ASP A 1 79  ? 3.35546   -16.02566 -10.89348 1.000 63.07932  ? 656 ASP A O    1 
ATOM   320  C CB   . ASP A 1 79  ? 5.97239   -17.64361 -12.15683 1.000 62.74155  ? 656 ASP A CB   1 
ATOM   321  C CG   . ASP A 1 79  ? 6.31151   -19.02931 -12.68249 1.000 61.67395  ? 656 ASP A CG   1 
ATOM   322  O OD1  . ASP A 1 79  ? 5.40958   -19.88629 -12.74923 1.000 60.05332  ? 656 ASP A OD1  1 
ATOM   323  O OD2  . ASP A 1 79  ? 7.49025   -19.25954 -13.02214 1.000 66.65687  ? 656 ASP A OD2  1 
ATOM   324  N N    . ASN A 1 80  ? 4.77864   -14.77356 -12.09632 1.000 60.63933  ? 657 ASN A N    1 
ATOM   325  C CA   . ASN A 1 80  ? 4.52295   -13.60349 -11.26640 1.000 65.14050  ? 657 ASN A CA   1 
ATOM   326  C C    . ASN A 1 80  ? 3.05317   -13.20681 -11.32496 1.000 64.18182  ? 657 ASN A C    1 
ATOM   327  O O    . ASN A 1 80  ? 2.42488   -12.94622 -10.29215 1.000 65.76273  ? 657 ASN A O    1 
ATOM   328  C CB   . ASN A 1 80  ? 5.43137   -12.44574 -11.69060 1.000 67.57848  ? 657 ASN A CB   1 
ATOM   329  C CG   . ASN A 1 80  ? 6.83825   -12.56535 -11.11301 1.000 76.80865  ? 657 ASN A CG   1 
ATOM   330  O OD1  . ASN A 1 80  ? 7.26356   -13.64946 -10.69824 1.000 78.37404  ? 657 ASN A OD1  1 
ATOM   331  N ND2  . ASN A 1 80  ? 7.56489   -11.44570 -11.07295 1.000 82.12414  ? 657 ASN A ND2  1 
ATOM   332  N N    . GLU A 1 81  ? 2.48082   -13.17989 -12.52843 1.000 62.61881  ? 658 GLU A N    1 
ATOM   333  C CA   . GLU A 1 81  ? 1.10688   -12.71729 -12.67681 1.000 61.41131  ? 658 GLU A CA   1 
ATOM   334  C C    . GLU A 1 81  ? 0.11737   -13.71907 -12.09714 1.000 63.97851  ? 658 GLU A C    1 
ATOM   335  O O    . GLU A 1 81  ? -0.86702  -13.32686 -11.46002 1.000 67.96361  ? 658 GLU A O    1 
ATOM   336  C CB   . GLU A 1 81  ? 0.81331   -12.43467 -14.14914 1.000 59.45000  ? 658 GLU A CB   1 
ATOM   337  C CG   . GLU A 1 81  ? 1.36281   -11.08712 -14.59930 1.000 58.90449  ? 658 GLU A CG   1 
ATOM   338  C CD   . GLU A 1 81  ? 1.42817   -10.94666 -16.10657 1.000 56.06917  ? 658 GLU A CD   1 
ATOM   339  O OE1  . GLU A 1 81  ? 1.73826   -11.93804 -16.79330 1.000 54.78874  ? 658 GLU A OE1  1 
ATOM   340  O OE2  . GLU A 1 81  ? 1.16794   -9.83624  -16.60860 1.000 60.20135  ? 658 GLU A OE2  1 
ATOM   341  N N    . THR A 1 82  ? 0.36490   -15.01377 -12.29300 1.000 62.73141  ? 659 THR A N    1 
ATOM   342  C CA   . THR A 1 82  ? -0.50092  -16.02586 -11.69701 1.000 66.76090  ? 659 THR A CA   1 
ATOM   343  C C    . THR A 1 82  ? -0.54467  -15.87856 -10.18466 1.000 72.07815  ? 659 THR A C    1 
ATOM   344  O O    . THR A 1 82  ? -1.62055  -15.88833 -9.57533  1.000 73.55709  ? 659 THR A O    1 
ATOM   345  C CB   . THR A 1 82  ? -0.01874  -17.42375 -12.07972 1.000 62.75005  ? 659 THR A CB   1 
ATOM   346  O OG1  . THR A 1 82  ? 0.01243   -17.54159 -13.50321 1.000 53.04821  ? 659 THR A OG1  1 
ATOM   347  C CG2  . THR A 1 82  ? -0.94833  -18.48370 -11.51326 1.000 61.97842  ? 659 THR A CG2  1 
ATOM   348  N N    . LYS A 1 83  ? 0.62343   -15.74864 -9.55759  1.000 69.87546  ? 660 LYS A N    1 
ATOM   349  C CA   . LYS A 1 83  ? 0.65936   -15.56780 -8.11423  1.000 74.61880  ? 660 LYS A CA   1 
ATOM   350  C C    . LYS A 1 83  ? -0.05793  -14.28705 -7.70932  1.000 76.83496  ? 660 LYS A C    1 
ATOM   351  O O    . LYS A 1 83  ? -0.74697  -14.24806 -6.68302  1.000 79.47221  ? 660 LYS A O    1 
ATOM   352  C CB   . LYS A 1 83  ? 2.10881   -15.55583 -7.62623  1.000 76.21882  ? 660 LYS A CB   1 
ATOM   353  C CG   . LYS A 1 83  ? 2.88998   -16.81664 -7.98066  1.000 79.19490  ? 660 LYS A CG   1 
ATOM   354  C CD   . LYS A 1 83  ? 4.32738   -16.76360 -7.45377  1.000 84.20052  ? 660 LYS A CD   1 
ATOM   355  C CE   . LYS A 1 83  ? 5.14144   -17.95561 -7.95207  1.000 84.00623  ? 660 LYS A CE   1 
ATOM   356  N NZ   . LYS A 1 83  ? 6.59605   -17.76077 -7.73125  1.000 84.69418  ? 660 LYS A NZ   1 
ATOM   357  N N    . LEU A 1 84  ? 0.08382   -13.22909 -8.51117  1.000 75.14721  ? 661 LEU A N    1 
ATOM   358  C CA   . LEU A 1 84  ? -0.45225  -11.93043 -8.11854  1.000 76.43408  ? 661 LEU A CA   1 
ATOM   359  C C    . LEU A 1 84  ? -1.97431  -11.90328 -8.19354  1.000 75.88931  ? 661 LEU A C    1 
ATOM   360  O O    . LEU A 1 84  ? -2.62928  -11.30551 -7.33258  1.000 76.61608  ? 661 LEU A O    1 
ATOM   361  C CB   . LEU A 1 84  ? 0.14056   -10.83103 -8.99880  1.000 75.99090  ? 661 LEU A CB   1 
ATOM   362  C CG   . LEU A 1 84  ? -0.38875  -9.42816  -8.69500  1.000 78.30563  ? 661 LEU A CG   1 
ATOM   363  C CD1  . LEU A 1 84  ? 0.02404   -9.01531  -7.29393  1.000 77.97454  ? 661 LEU A CD1  1 
ATOM   364  C CD2  . LEU A 1 84  ? 0.09251   -8.41025  -9.72150  1.000 80.73620  ? 661 LEU A CD2  1 
ATOM   365  N N    . PHE A 1 85  ? -2.55402  -12.53946 -9.21187  1.000 74.54785  ? 662 PHE A N    1 
ATOM   366  C CA   . PHE A 1 85  ? -3.97985  -12.41713 -9.50504  1.000 75.73832  ? 662 PHE A CA   1 
ATOM   367  C C    . PHE A 1 85  ? -4.79511  -13.65248 -9.15804  1.000 75.33798  ? 662 PHE A C    1 
ATOM   368  O O    . PHE A 1 85  ? -5.93500  -13.51910 -8.70946  1.000 83.72837  ? 662 PHE A O    1 
ATOM   369  C CB   . PHE A 1 85  ? -4.19007  -12.07728 -10.98278 1.000 70.65905  ? 662 PHE A CB   1 
ATOM   370  C CG   . PHE A 1 85  ? -3.54322  -10.78995 -11.39832 1.000 72.27503  ? 662 PHE A CG   1 
ATOM   371  C CD1  . PHE A 1 85  ? -3.92207  -9.59683  -10.82624 1.000 78.48116  ? 662 PHE A CD1  1 
ATOM   372  C CD2  . PHE A 1 85  ? -2.55863  -10.77684 -12.37398 1.000 73.11901  ? 662 PHE A CD2  1 
ATOM   373  C CE1  . PHE A 1 85  ? -3.32901  -8.41118  -11.20329 1.000 80.82624  ? 662 PHE A CE1  1 
ATOM   374  C CE2  . PHE A 1 85  ? -1.96478  -9.59008  -12.75767 1.000 67.99756  ? 662 PHE A CE2  1 
ATOM   375  C CZ   . PHE A 1 85  ? -2.34812  -8.41156  -12.17383 1.000 75.30564  ? 662 PHE A CZ   1 
ATOM   376  N N    . LYS A 1 86  ? -4.26140  -14.85733 -9.35778  1.000 75.92918  ? 663 LYS A N    1 
ATOM   377  C CA   . LYS A 1 86  ? -4.99955  -16.07739 -9.04123  1.000 76.16484  ? 663 LYS A CA   1 
ATOM   378  C C    . LYS A 1 86  ? -4.57466  -16.65407 -7.69748  1.000 81.08729  ? 663 LYS A C    1 
ATOM   379  O O    . LYS A 1 86  ? -5.38821  -16.77659 -6.77604  1.000 83.70589  ? 663 LYS A O    1 
ATOM   380  C CB   . LYS A 1 86  ? -4.81927  -17.10810 -10.16236 1.000 75.97938  ? 663 LYS A CB   1 
ATOM   381  C CG   . LYS A 1 86  ? -5.56173  -18.41703 -9.93852  1.000 77.80045  ? 663 LYS A CG   1 
ATOM   382  C CD   . LYS A 1 86  ? -5.56956  -19.26737 -11.19916 1.000 74.94215  ? 663 LYS A CD   1 
ATOM   383  C CE   . LYS A 1 86  ? -6.92605  -19.23016 -11.89034 1.000 80.03686  ? 663 LYS A CE   1 
ATOM   384  N NZ   . LYS A 1 86  ? -7.56083  -17.87940 -11.82509 1.000 87.20771  ? 663 LYS A NZ   1 
ATOM   385  N N    . GLY A 1 87  ? -3.30365  -16.98613 -7.55947  1.000 82.57192  ? 664 GLY A N    1 
ATOM   386  C CA   . GLY A 1 87  ? -2.80292  -17.51454 -6.30784  1.000 87.30052  ? 664 GLY A CA   1 
ATOM   387  C C    . GLY A 1 87  ? -1.55304  -18.33405 -6.55576  1.000 88.80380  ? 664 GLY A C    1 
ATOM   388  O O    . GLY A 1 87  ? -0.94674  -18.25682 -7.62252  1.000 87.18013  ? 664 GLY A O    1 
ATOM   389  N N    . GLN A 1 88  ? -1.20004  -19.12904 -5.54876  1.000 97.05531  ? 665 GLN A N    1 
ATOM   390  C CA   . GLN A 1 88  ? -0.02211  -19.97555 -5.64710  1.000 95.20361  ? 665 GLN A CA   1 
ATOM   391  C C    . GLN A 1 88  ? -0.08572  -20.83657 -6.90216  1.000 93.32916  ? 665 GLN A C    1 
ATOM   392  O O    . GLN A 1 88  ? -1.14776  -21.33838 -7.28134  1.000 96.28785  ? 665 GLN A O    1 
ATOM   393  C CB   . GLN A 1 88  ? 0.09767   -20.85729 -4.40339  1.000 99.78467  ? 665 GLN A CB   1 
ATOM   394  N N    . VAL A 1 89  ? 1.05846   -20.98243 -7.56319  1.000 78.92704  ? 666 VAL A N    1 
ATOM   395  C CA   . VAL A 1 89  ? 1.22324   -21.90595 -8.67765  1.000 72.47757  ? 666 VAL A CA   1 
ATOM   396  C C    . VAL A 1 89  ? 2.28522   -22.91615 -8.26766  1.000 65.13061  ? 666 VAL A C    1 
ATOM   397  O O    . VAL A 1 89  ? 3.26974   -22.55969 -7.61462  1.000 59.06488  ? 666 VAL A O    1 
ATOM   398  C CB   . VAL A 1 89  ? 1.60895   -21.17439 -9.98316  1.000 69.61177  ? 666 VAL A CB   1 
ATOM   399  C CG1  . VAL A 1 89  ? 2.91338   -20.42036 -9.80769  1.000 75.10408  ? 666 VAL A CG1  1 
ATOM   400  C CG2  . VAL A 1 89  ? 1.70517   -22.14997 -11.13629 1.000 59.83185  ? 666 VAL A CG2  1 
ATOM   401  N N    . VAL A 1 90  ? 2.07206   -24.18191 -8.61651  1.000 61.74863  ? 667 VAL A N    1 
ATOM   402  C CA   . VAL A 1 90  ? 2.97001   -25.22604 -8.13188  1.000 61.78868  ? 667 VAL A CA   1 
ATOM   403  C C    . VAL A 1 90  ? 4.18802   -25.35556 -9.03473  1.000 56.37580  ? 667 VAL A C    1 
ATOM   404  O O    . VAL A 1 90  ? 5.32929   -25.31281 -8.56436  1.000 55.94755  ? 667 VAL A O    1 
ATOM   405  C CB   . VAL A 1 90  ? 2.22281   -26.56441 -8.00372  1.000 62.83008  ? 667 VAL A CB   1 
ATOM   406  C CG1  . VAL A 1 90  ? 3.16805   -27.63180 -7.47465  1.000 61.94865  ? 667 VAL A CG1  1 
ATOM   407  C CG2  . VAL A 1 90  ? 1.02021   -26.41404 -7.08783  1.000 66.03711  ? 667 VAL A CG2  1 
ATOM   408  N N    . GLN A 1 91  ? 3.95949   -25.52607 -10.33061 1.000 53.64790  ? 668 GLN A N    1 
ATOM   409  C CA   . GLN A 1 91  ? 5.02281   -25.67859 -11.31291 1.000 51.62568  ? 668 GLN A CA   1 
ATOM   410  C C    . GLN A 1 91  ? 5.42163   -24.32725 -11.89215 1.000 51.63593  ? 668 GLN A C    1 
ATOM   411  O O    . GLN A 1 91  ? 4.58816   -23.43720 -12.06758 1.000 48.09676  ? 668 GLN A O    1 
ATOM   412  C CB   . GLN A 1 91  ? 4.57565   -26.60865 -12.44518 1.000 46.67911  ? 668 GLN A CB   1 
ATOM   413  C CG   . GLN A 1 91  ? 4.33794   -28.04756 -12.00485 1.000 53.03840  ? 668 GLN A CG   1 
ATOM   414  C CD   . GLN A 1 91  ? 3.91557   -28.95887 -13.14348 1.000 53.38102  ? 668 GLN A CD   1 
ATOM   415  O OE1  . GLN A 1 91  ? 2.81406   -28.84286 -13.67332 1.000 48.73469  ? 668 GLN A OE1  1 
ATOM   416  N NE2  . GLN A 1 91  ? 4.80227   -29.87695 -13.52567 1.000 46.35260  ? 668 GLN A NE2  1 
ATOM   417  N N    . THR A 1 92  ? 6.71288   -24.18144 -12.19275 1.000 47.25337  ? 669 THR A N    1 
ATOM   418  C CA   . THR A 1 92  ? 7.19376   -22.95760 -12.81489 1.000 45.89088  ? 669 THR A CA   1 
ATOM   419  C C    . THR A 1 92  ? 6.67263   -22.83727 -14.24682 1.000 45.40231  ? 669 THR A C    1 
ATOM   420  O O    . THR A 1 92  ? 6.15537   -23.79088 -14.83938 1.000 46.59076  ? 669 THR A O    1 
ATOM   421  C CB   . THR A 1 92  ? 8.72321   -22.91902 -12.81811 1.000 50.68870  ? 669 THR A CB   1 
ATOM   422  O OG1  . THR A 1 92  ? 9.21092   -23.94366 -13.69207 1.000 48.96426  ? 669 THR A OG1  1 
ATOM   423  C CG2  . THR A 1 92  ? 9.26032   -23.17030 -11.40494 1.000 50.84171  ? 669 THR A CG2  1 
ATOM   424  N N    . LEU A 1 93  ? 6.79440   -21.63147 -14.79961 1.000 47.45768  ? 670 LEU A N    1 
ATOM   425  C CA   . LEU A 1 93  ? 6.44312   -21.43604 -16.20058 1.000 47.40029  ? 670 LEU A CA   1 
ATOM   426  C C    . LEU A 1 93  ? 7.08521   -22.51204 -17.06382 1.000 43.11774  ? 670 LEU A C    1 
ATOM   427  O O    . LEU A 1 93  ? 6.41628   -23.15908 -17.87446 1.000 44.96339  ? 670 LEU A O    1 
ATOM   428  C CB   . LEU A 1 93  ? 6.86922   -20.03835 -16.67188 1.000 50.07169  ? 670 LEU A CB   1 
ATOM   429  C CG   . LEU A 1 93  ? 6.56899   -19.74877 -18.15295 1.000 46.94468  ? 670 LEU A CG   1 
ATOM   430  C CD1  . LEU A 1 93  ? 5.07187   -19.87574 -18.41630 1.000 44.48753  ? 670 LEU A CD1  1 
ATOM   431  C CD2  . LEU A 1 93  ? 7.06254   -18.38781 -18.60196 1.000 46.88048  ? 670 LEU A CD2  1 
ATOM   432  N N    . GLU A 1 94  ? 8.37946   -22.75814 -16.85916 1.000 47.53853  ? 671 GLU A N    1 
ATOM   433  C CA   . GLU A 1 94  ? 9.08769   -23.67702 -17.73859 1.000 48.13049  ? 671 GLU A CA   1 
ATOM   434  C C    . GLU A 1 94  ? 8.54094   -25.09579 -17.62211 1.000 42.66042  ? 671 GLU A C    1 
ATOM   435  O O    . GLU A 1 94  ? 8.41240   -25.80122 -18.62868 1.000 42.44353  ? 671 GLU A O    1 
ATOM   436  C CB   . GLU A 1 94  ? 10.58412  -23.63834 -17.43675 1.000 47.61724  ? 671 GLU A CB   1 
ATOM   437  C CG   . GLU A 1 94  ? 11.25913  -22.27015 -17.73405 1.000 63.20964  ? 671 GLU A CG   1 
ATOM   438  C CD   . GLU A 1 94  ? 10.88646  -21.12007 -16.75989 1.000 67.74475  ? 671 GLU A CD   1 
ATOM   439  O OE1  . GLU A 1 94  ? 10.31596  -21.38104 -15.66773 1.000 59.12663  ? 671 GLU A OE1  1 
ATOM   440  O OE2  . GLU A 1 94  ? 11.17758  -19.93888 -17.09442 1.000 66.79713  ? 671 GLU A OE2  1 
ATOM   441  N N    . GLU A 1 95  ? 8.24938   -25.54395 -16.40141 1.000 42.61487  ? 672 GLU A N    1 
ATOM   442  C CA   . GLU A 1 95  ? 7.67219   -26.87294 -16.21808 1.000 44.65757  ? 672 GLU A CA   1 
ATOM   443  C C    . GLU A 1 95  ? 6.27249   -26.96534 -16.82890 1.000 42.84587  ? 672 GLU A C    1 
ATOM   444  O O    . GLU A 1 95  ? 5.94391   -27.94015 -17.52049 1.000 42.36216  ? 672 GLU A O    1 
ATOM   445  C CB   . GLU A 1 95  ? 7.64316   -27.21923 -14.72314 1.000 46.31383  ? 672 GLU A CB   1 
ATOM   446  C CG   . GLU A 1 95  ? 8.99992   -27.49031 -14.11072 1.000 48.56908  ? 672 GLU A CG   1 
ATOM   447  C CD   . GLU A 1 95  ? 8.96517   -27.49103 -12.58632 1.000 51.39164  ? 672 GLU A CD   1 
ATOM   448  O OE1  . GLU A 1 95  ? 7.99433   -26.97232 -12.00025 1.000 51.33205  ? 672 GLU A OE1  1 
ATOM   449  O OE2  . GLU A 1 95  ? 9.90585   -28.01954 -11.97224 1.000 58.65914  ? 672 GLU A OE2  1 
ATOM   450  N N    . ARG A 1 96  ? 5.43131   -25.95650 -16.60659 1.000 44.11357  ? 673 ARG A N    1 
ATOM   451  C CA   . ARG A 1 96  ? 4.07705   -26.03842 -17.14938 1.000 42.69470  ? 673 ARG A CA   1 
ATOM   452  C C    . ARG A 1 96  ? 4.09583   -26.02705 -18.66727 1.000 45.33220  ? 673 ARG A C    1 
ATOM   453  O O    . ARG A 1 96  ? 3.26291   -26.68826 -19.30852 1.000 37.68885  ? 673 ARG A O    1 
ATOM   454  C CB   . ARG A 1 96  ? 3.21980   -24.89360 -16.61398 1.000 43.00742  ? 673 ARG A CB   1 
ATOM   455  C CG   . ARG A 1 96  ? 3.03197   -24.95892 -15.10517 1.000 43.36641  ? 673 ARG A CG   1 
ATOM   456  C CD   . ARG A 1 96  ? 2.20398   -23.81015 -14.55685 1.000 47.14807  ? 673 ARG A CD   1 
ATOM   457  N NE   . ARG A 1 96  ? 2.96931   -22.58782 -14.33919 1.000 48.06051  ? 673 ARG A NE   1 
ATOM   458  C CZ   . ARG A 1 96  ? 2.67715   -21.42232 -14.89761 1.000 47.71548  ? 673 ARG A CZ   1 
ATOM   459  N NH1  . ARG A 1 96  ? 1.66239   -21.29754 -15.74244 1.000 43.27572  ? 673 ARG A NH1  1 
ATOM   460  N NH2  . ARG A 1 96  ? 3.41404   -20.35598 -14.59680 1.000 43.88285  ? 673 ARG A NH2  1 
ATOM   461  N N    . THR A 1 97  ? 5.04645   -25.29098 -19.25189 1.000 41.39038  ? 674 THR A N    1 
ATOM   462  C CA   . THR A 1 97  ? 5.15080   -25.19533 -20.70354 1.000 40.94794  ? 674 THR A CA   1 
ATOM   463  C C    . THR A 1 97  ? 5.68816   -26.48588 -21.31448 1.000 41.44709  ? 674 THR A C    1 
ATOM   464  O O    . THR A 1 97  ? 5.27479   -26.87870 -22.41574 1.000 42.18181  ? 674 THR A O    1 
ATOM   465  C CB   . THR A 1 97  ? 6.05772   -24.01541 -21.07386 1.000 40.06525  ? 674 THR A CB   1 
ATOM   466  O OG1  . THR A 1 97  ? 5.53137   -22.80612 -20.51143 1.000 42.87921  ? 674 THR A OG1  1 
ATOM   467  C CG2  . THR A 1 97  ? 6.18597   -23.85990 -22.60638 1.000 36.23936  ? 674 THR A CG2  1 
ATOM   468  N N    . GLU A 1 98  ? 6.59394   -27.16317 -20.62164 1.000 40.70486  ? 675 GLU A N    1 
ATOM   469  C CA   . GLU A 1 98  ? 7.20009   -28.34216 -21.22475 1.000 44.85492  ? 675 GLU A CA   1 
ATOM   470  C C    . GLU A 1 98  ? 6.21515   -29.50504 -21.26675 1.000 43.53068  ? 675 GLU A C    1 
ATOM   471  O O    . GLU A 1 98  ? 6.23068   -30.30224 -22.20896 1.000 42.30113  ? 675 GLU A O    1 
ATOM   472  C CB   . GLU A 1 98  ? 8.46557   -28.73748 -20.47912 1.000 43.77143  ? 675 GLU A CB   1 
ATOM   473  C CG   . GLU A 1 98  ? 9.29369   -29.71854 -21.28396 1.000 51.80257  ? 675 GLU A CG   1 
ATOM   474  C CD   . GLU A 1 98  ? 10.70812  -29.82687 -20.80506 1.000 61.74013  ? 675 GLU A CD   1 
ATOM   475  O OE1  . GLU A 1 98  ? 11.08565  -29.09313 -19.86043 1.000 69.66559  ? 675 GLU A OE1  1 
ATOM   476  O OE2  . GLU A 1 98  ? 11.45509  -30.65656 -21.37154 1.000 65.57265  ? 675 GLU A OE2  1 
ATOM   477  N N    . THR A 1 99  ? 5.35965   -29.63593 -20.24952 1.000 40.53060  ? 676 THR A N    1 
ATOM   478  C CA   . THR A 1 99  ? 4.31518   -30.65594 -20.31539 1.000 40.04900  ? 676 THR A CA   1 
ATOM   479  C C    . THR A 1 99  ? 3.44880   -30.46773 -21.55833 1.000 40.74267  ? 676 THR A C    1 
ATOM   480  O O    . THR A 1 99  ? 3.18064   -31.42463 -22.29750 1.000 36.47579  ? 676 THR A O    1 
ATOM   481  C CB   . THR A 1 99  ? 3.44705   -30.61164 -19.05691 1.000 42.38756  ? 676 THR A CB   1 
ATOM   482  O OG1  . THR A 1 99  ? 4.29409   -30.63824 -17.91072 1.000 37.85804  ? 676 THR A OG1  1 
ATOM   483  C CG2  . THR A 1 99  ? 2.51685   -31.81910 -19.00793 1.000 40.20983  ? 676 THR A CG2  1 
ATOM   484  N N    . LEU A 1 100 ? 3.03036   -29.22549 -21.81825 1.000 38.39709  ? 677 LEU A N    1 
ATOM   485  C CA   . LEU A 1 100 ? 2.09734   -28.95431 -22.91233 1.000 38.50639  ? 677 LEU A CA   1 
ATOM   486  C C    . LEU A 1 100 ? 2.68008   -29.33026 -24.25702 1.000 39.59548  ? 677 LEU A C    1 
ATOM   487  O O    . LEU A 1 100 ? 1.93853   -29.66886 -25.18544 1.000 41.57969  ? 677 LEU A O    1 
ATOM   488  C CB   . LEU A 1 100 ? 1.70121   -27.47583 -22.90693 1.000 36.58705  ? 677 LEU A CB   1 
ATOM   489  C CG   . LEU A 1 100 ? 0.71916   -27.17917 -21.77632 1.000 38.87481  ? 677 LEU A CG   1 
ATOM   490  C CD1  . LEU A 1 100 ? 0.65560   -25.69521 -21.50102 1.000 39.07648  ? 677 LEU A CD1  1 
ATOM   491  C CD2  . LEU A 1 100 ? -0.67032  -27.72144 -22.16925 1.000 37.64466  ? 677 LEU A CD2  1 
ATOM   492  N N    . LYS A 1 101 ? 4.00466   -29.27114 -24.38154 1.000 37.39476  ? 678 LYS A N    1 
ATOM   493  C CA   . LYS A 1 101 ? 4.66446   -29.69649 -25.60254 1.000 40.90787  ? 678 LYS A CA   1 
ATOM   494  C C    . LYS A 1 101 ? 4.36186   -31.15333 -25.94912 1.000 42.59703  ? 678 LYS A C    1 
ATOM   495  O O    . LYS A 1 101 ? 4.44386   -31.53627 -27.11879 1.000 44.00432  ? 678 LYS A O    1 
ATOM   496  C CB   . LYS A 1 101 ? 6.17478   -29.49551 -25.45313 1.000 40.72747  ? 678 LYS A CB   1 
ATOM   497  C CG   . LYS A 1 101 ? 6.97127   -29.99166 -26.62203 1.000 50.90902  ? 678 LYS A CG   1 
ATOM   498  C CD   . LYS A 1 101 ? 8.44591   -29.74876 -26.40670 1.000 49.61375  ? 678 LYS A CD   1 
ATOM   499  C CE   . LYS A 1 101 ? 9.15293   -31.00237 -25.94089 1.000 55.84326  ? 678 LYS A CE   1 
ATOM   500  N NZ   . LYS A 1 101 ? 10.58757  -30.95099 -26.30756 1.000 56.44552  ? 678 LYS A NZ   1 
ATOM   501  N N    . HIS A 1 102 ? 4.06375   -31.99241 -24.96016 1.000 40.24622  ? 679 HIS A N    1 
ATOM   502  C CA   . HIS A 1 102 ? 3.84615   -33.41402 -25.21691 1.000 38.27008  ? 679 HIS A CA   1 
ATOM   503  C C    . HIS A 1 102 ? 2.38337   -33.76547 -25.50232 1.000 37.91509  ? 679 HIS A C    1 
ATOM   504  O O    . HIS A 1 102 ? 2.06606   -34.94890 -25.64534 1.000 39.76337  ? 679 HIS A O    1 
ATOM   505  C CB   . HIS A 1 102 ? 4.35410   -34.23310 -24.04082 1.000 36.03269  ? 679 HIS A CB   1 
ATOM   506  C CG   . HIS A 1 102 ? 5.84333   -34.19821 -23.90240 1.000 38.97296  ? 679 HIS A CG   1 
ATOM   507  N ND1  . HIS A 1 102 ? 6.50348   -33.19295 -23.22795 1.000 45.21023  ? 679 HIS A ND1  1 
ATOM   508  C CD2  . HIS A 1 102 ? 6.79957   -35.01626 -24.38458 1.000 36.78457  ? 679 HIS A CD2  1 
ATOM   509  C CE1  . HIS A 1 102 ? 7.80576   -33.40470 -23.28219 1.000 37.23411  ? 679 HIS A CE1  1 
ATOM   510  N NE2  . HIS A 1 102 ? 8.01430   -34.51848 -23.95950 1.000 47.77340  ? 679 HIS A NE2  1 
ATOM   511  N N    . ILE A 1 103 ? 1.50547   -32.77679 -25.59764 1.000 35.97636  ? 680 ILE A N    1 
ATOM   512  C CA   . ILE A 1 103 ? 0.05698   -32.99312 -25.69314 1.000 38.81533  ? 680 ILE A CA   1 
ATOM   513  C C    . ILE A 1 103 ? -0.34839  -32.91543 -27.15845 1.000 39.55031  ? 680 ILE A C    1 
ATOM   514  O O    . ILE A 1 103 ? 0.00554   -31.96081 -27.86290 1.000 36.72853  ? 680 ILE A O    1 
ATOM   515  C CB   . ILE A 1 103 ? -0.71406  -31.96603 -24.84909 1.000 38.16470  ? 680 ILE A CB   1 
ATOM   516  C CG1  . ILE A 1 103 ? -0.29898  -32.04672 -23.36538 1.000 34.88237  ? 680 ILE A CG1  1 
ATOM   517  C CG2  . ILE A 1 103 ? -2.26351  -32.11102 -25.03551 1.000 35.10816  ? 680 ILE A CG2  1 
ATOM   518  C CD1  . ILE A 1 103 ? -0.50833  -33.43626 -22.72386 1.000 32.67010  ? 680 ILE A CD1  1 
ATOM   519  N N    . ARG A 1 104 ? -1.08646  -33.93004 -27.61026 1.000 39.47974  ? 681 ARG A N    1 
ATOM   520  C CA   . ARG A 1 104 ? -1.39976  -34.09728 -29.02647 1.000 37.81417  ? 681 ARG A CA   1 
ATOM   521  C C    . ARG A 1 104 ? -2.10163  -32.87377 -29.61896 1.000 39.31479  ? 681 ARG A C    1 
ATOM   522  O O    . ARG A 1 104 ? -1.84352  -32.49617 -30.76948 1.000 38.49316  ? 681 ARG A O    1 
ATOM   523  C CB   . ARG A 1 104 ? -2.27573  -35.34861 -29.19012 1.000 41.90796  ? 681 ARG A CB   1 
ATOM   524  C CG   . ARG A 1 104 ? -2.63431  -35.72124 -30.62885 1.000 45.23019  ? 681 ARG A CG   1 
ATOM   525  C CD   . ARG A 1 104 ? -3.69686  -36.82583 -30.66258 1.000 44.19235  ? 681 ARG A CD   1 
ATOM   526  N NE   . ARG A 1 104 ? -3.31819  -37.99659 -29.88054 1.000 48.78714  ? 681 ARG A NE   1 
ATOM   527  C CZ   . ARG A 1 104 ? -2.49212  -38.94904 -30.30008 1.000 52.54795  ? 681 ARG A CZ   1 
ATOM   528  N NH1  . ARG A 1 104 ? -1.88600  -38.86890 -31.47381 1.000 52.80857  ? 681 ARG A NH1  1 
ATOM   529  N NH2  . ARG A 1 104 ? -2.26658  -40.01086 -29.51982 1.000 50.33812  ? 681 ARG A NH2  1 
ATOM   530  N N    . TRP A 1 105 ? -3.04635  -32.28828 -28.88955 1.000 34.71626  ? 682 TRP A N    1 
ATOM   531  C CA   . TRP A 1 105 ? -3.88255  -31.23983 -29.47162 1.000 38.02128  ? 682 TRP A CA   1 
ATOM   532  C C    . TRP A 1 105 ? -3.16257  -29.90554 -29.62189 1.000 39.62302  ? 682 TRP A C    1 
ATOM   533  O O    . TRP A 1 105 ? -3.68085  -29.01747 -30.30002 1.000 34.26207  ? 682 TRP A O    1 
ATOM   534  C CB   . TRP A 1 105 ? -5.15018  -31.04610 -28.62176 1.000 36.67343  ? 682 TRP A CB   1 
ATOM   535  C CG   . TRP A 1 105 ? -5.63111  -32.35424 -28.07611 1.000 36.44635  ? 682 TRP A CG   1 
ATOM   536  C CD1  . TRP A 1 105 ? -5.60232  -32.75618 -26.76617 1.000 36.04286  ? 682 TRP A CD1  1 
ATOM   537  C CD2  . TRP A 1 105 ? -6.13415  -33.47147 -28.82853 1.000 36.13863  ? 682 TRP A CD2  1 
ATOM   538  N NE1  . TRP A 1 105 ? -6.06433  -34.04319 -26.65879 1.000 37.47084  ? 682 TRP A NE1  1 
ATOM   539  C CE2  . TRP A 1 105 ? -6.41449  -34.50488 -27.90369 1.000 36.64344  ? 682 TRP A CE2  1 
ATOM   540  C CE3  . TRP A 1 105 ? -6.40445  -33.68765 -30.18775 1.000 40.02874  ? 682 TRP A CE3  1 
ATOM   541  C CZ2  . TRP A 1 105 ? -6.93802  -35.74467 -28.29224 1.000 36.31732  ? 682 TRP A CZ2  1 
ATOM   542  C CZ3  . TRP A 1 105 ? -6.90824  -34.92728 -30.58412 1.000 39.82482  ? 682 TRP A CZ3  1 
ATOM   543  C CH2  . TRP A 1 105 ? -7.19202  -35.93699 -29.63314 1.000 40.81207  ? 682 TRP A CH2  1 
ATOM   544  N N    . VAL A 1 106 ? -1.98868  -29.73807 -29.02257 1.000 39.06452  ? 683 VAL A N    1 
ATOM   545  C CA   . VAL A 1 106 ? -1.32848  -28.43553 -28.95138 1.000 36.62959  ? 683 VAL A CA   1 
ATOM   546  C C    . VAL A 1 106 ? -0.47231  -28.24587 -30.20150 1.000 36.53957  ? 683 VAL A C    1 
ATOM   547  O O    . VAL A 1 106 ? 0.43283   -29.03409 -30.46863 1.000 37.68802  ? 683 VAL A O    1 
ATOM   548  C CB   . VAL A 1 106 ? -0.48016  -28.32368 -27.67527 1.000 39.00682  ? 683 VAL A CB   1 
ATOM   549  C CG1  . VAL A 1 106 ? 0.27911   -27.00388 -27.65328 1.000 42.03491  ? 683 VAL A CG1  1 
ATOM   550  C CG2  . VAL A 1 106 ? -1.38249  -28.47024 -26.44299 1.000 37.27136  ? 683 VAL A CG2  1 
ATOM   551  N N    . ASP A 1 107 ? -0.76544  -27.21184 -30.98354 1.000 39.00730  ? 684 ASP A N    1 
ATOM   552  C CA   . ASP A 1 107 ? 0.01185   -26.96275 -32.19312 1.000 36.61822  ? 684 ASP A CA   1 
ATOM   553  C C    . ASP A 1 107 ? 1.09601   -25.91196 -31.97599 1.000 34.73878  ? 684 ASP A C    1 
ATOM   554  O O    . ASP A 1 107 ? 2.19691   -26.05063 -32.49418 1.000 37.38775  ? 684 ASP A O    1 
ATOM   555  C CB   . ASP A 1 107 ? -0.92066  -26.52121 -33.33272 1.000 36.42765  ? 684 ASP A CB   1 
ATOM   556  C CG   . ASP A 1 107 ? -1.96299  -27.58748 -33.68859 1.000 40.62314  ? 684 ASP A CG   1 
ATOM   557  O OD1  . ASP A 1 107 ? -1.57987  -28.75793 -33.92247 1.000 39.99511  ? 684 ASP A OD1  1 
ATOM   558  O OD2  . ASP A 1 107 ? -3.17135  -27.26852 -33.72272 1.000 38.96276  ? 684 ASP A OD2  1 
ATOM   559  N N    . GLU A 1 108 ? 0.79921   -24.86001 -31.21601 1.000 39.75758  ? 685 GLU A N    1 
ATOM   560  C CA   . GLU A 1 108 ? 1.72901   -23.76779 -30.98254 1.000 38.60351  ? 685 GLU A CA   1 
ATOM   561  C C    . GLU A 1 108 ? 1.57235   -23.29874 -29.54643 1.000 36.07239  ? 685 GLU A C    1 
ATOM   562  O O    . GLU A 1 108 ? 0.50095   -23.42697 -28.96083 1.000 35.79482  ? 685 GLU A O    1 
ATOM   563  C CB   . GLU A 1 108 ? 1.47992   -22.61471 -31.97569 1.000 37.67850  ? 685 GLU A CB   1 
ATOM   564  C CG   . GLU A 1 108 ? 1.49689   -23.09961 -33.43413 1.000 43.42108  ? 685 GLU A CG   1 
ATOM   565  C CD   . GLU A 1 108 ? 1.29439   -21.99631 -34.47171 1.000 47.23232  ? 685 GLU A CD   1 
ATOM   566  O OE1  . GLU A 1 108 ? 0.75993   -20.92035 -34.13772 1.000 46.03062  ? 685 GLU A OE1  1 
ATOM   567  O OE2  . GLU A 1 108 ? 1.68228   -22.21419 -35.63654 1.000 49.38768  ? 685 GLU A OE2  1 
ATOM   568  N N    . ILE A 1 109 ? 2.65122   -22.77967 -28.96020 1.000 37.21346  ? 686 ILE A N    1 
ATOM   569  C CA   . ILE A 1 109 ? 2.60236   -22.29046 -27.58566 1.000 37.14041  ? 686 ILE A CA   1 
ATOM   570  C C    . ILE A 1 109 ? 3.11256   -20.86472 -27.54405 1.000 38.73380  ? 686 ILE A C    1 
ATOM   571  O O    . ILE A 1 109 ? 4.12138   -20.53553 -28.18439 1.000 36.37404  ? 686 ILE A O    1 
ATOM   572  C CB   . ILE A 1 109 ? 3.41478   -23.17440 -26.61783 1.000 42.89477  ? 686 ILE A CB   1 
ATOM   573  C CG1  . ILE A 1 109 ? 2.80041   -24.56966 -26.49880 1.000 36.76994  ? 686 ILE A CG1  1 
ATOM   574  C CG2  . ILE A 1 109 ? 3.50697   -22.50738 -25.23479 1.000 41.94613  ? 686 ILE A CG2  1 
ATOM   575  C CD1  . ILE A 1 109 ? 3.67648   -25.54032 -25.72878 1.000 41.42884  ? 686 ILE A CD1  1 
ATOM   576  N N    . ILE A 1 110 ? 2.40625   -20.01135 -26.80238 1.000 37.49961  ? 687 ILE A N    1 
ATOM   577  C CA   . ILE A 1 110 ? 2.90326   -18.68998 -26.42999 1.000 38.87239  ? 687 ILE A CA   1 
ATOM   578  C C    . ILE A 1 110 ? 3.18351   -18.72541 -24.93138 1.000 39.87299  ? 687 ILE A C    1 
ATOM   579  O O    . ILE A 1 110 ? 2.25137   -18.84989 -24.12870 1.000 36.40093  ? 687 ILE A O    1 
ATOM   580  C CB   . ILE A 1 110 ? 1.90080   -17.57953 -26.77307 1.000 41.90521  ? 687 ILE A CB   1 
ATOM   581  C CG1  . ILE A 1 110 ? 1.55923   -17.58268 -28.26030 1.000 38.15316  ? 687 ILE A CG1  1 
ATOM   582  C CG2  . ILE A 1 110 ? 2.45780   -16.21543 -26.38463 1.000 41.37629  ? 687 ILE A CG2  1 
ATOM   583  C CD1  . ILE A 1 110 ? 0.56411   -16.49444 -28.61925 1.000 41.80383  ? 687 ILE A CD1  1 
ATOM   584  N N    . SER A 1 111 ? 4.46447   -18.62133 -24.55133 1.000 40.60111  ? 688 SER A N    1 
ATOM   585  C CA   . SER A 1 111 ? 4.88297   -18.76114 -23.15597 1.000 38.54474  ? 688 SER A CA   1 
ATOM   586  C C    . SER A 1 111 ? 6.06303   -17.84770 -22.84854 1.000 43.87199  ? 688 SER A C    1 
ATOM   587  O O    . SER A 1 111 ? 7.15865   -18.03226 -23.40287 1.000 38.67459  ? 688 SER A O    1 
ATOM   588  C CB   . SER A 1 111 ? 5.24612   -20.22532 -22.85956 1.000 39.03675  ? 688 SER A CB   1 
ATOM   589  O OG   . SER A 1 111 ? 5.82358   -20.38504 -21.56531 1.000 41.47617  ? 688 SER A OG   1 
ATOM   590  N N    . PRO A 1 112 ? 5.89239   -16.85842 -21.95054 1.000 44.50310  ? 689 PRO A N    1 
ATOM   591  C CA   . PRO A 1 112 ? 4.63593   -16.58383 -21.25443 1.000 44.10372  ? 689 PRO A CA   1 
ATOM   592  C C    . PRO A 1 112 ? 3.63559   -15.86017 -22.15066 1.000 44.11768  ? 689 PRO A C    1 
ATOM   593  O O    . PRO A 1 112 ? 4.03848   -15.18739 -23.09999 1.000 41.98385  ? 689 PRO A O    1 
ATOM   594  C CB   . PRO A 1 112 ? 5.07405   -15.68405 -20.09396 1.000 45.34645  ? 689 PRO A CB   1 
ATOM   595  C CG   . PRO A 1 112 ? 6.25804   -14.93795 -20.65835 1.000 46.91361  ? 689 PRO A CG   1 
ATOM   596  C CD   . PRO A 1 112 ? 6.97739   -15.98028 -21.48993 1.000 46.81959  ? 689 PRO A CD   1 
ATOM   597  N N    . CYS A 1 113 ? 2.35038   -15.98561 -21.84254 1.000 41.38670  ? 690 CYS A N    1 
ATOM   598  C CA   . CYS A 1 113 ? 1.34602   -15.23530 -22.56778 1.000 42.75232  ? 690 CYS A CA   1 
ATOM   599  C C    . CYS A 1 113 ? 0.87183   -14.05477 -21.74204 1.000 46.79835  ? 690 CYS A C    1 
ATOM   600  O O    . CYS A 1 113 ? 1.06431   -14.00930 -20.52454 1.000 48.66143  ? 690 CYS A O    1 
ATOM   601  C CB   . CYS A 1 113 ? 0.14829   -16.12661 -22.90297 1.000 40.43947  ? 690 CYS A CB   1 
ATOM   602  S SG   . CYS A 1 113 ? -0.76254  -16.64378 -21.42633 1.000 44.08435  ? 690 CYS A SG   1 
ATOM   603  N N    . PRO A 1 114 ? 0.23199   -13.07867 -22.37049 1.000 50.38792  ? 691 PRO A N    1 
ATOM   604  C CA   . PRO A 1 114 ? -0.36280  -11.98524 -21.59977 1.000 50.41047  ? 691 PRO A CA   1 
ATOM   605  C C    . PRO A 1 114 ? -1.41383  -12.51329 -20.63229 1.000 47.81808  ? 691 PRO A C    1 
ATOM   606  O O    . PRO A 1 114 ? -2.02726  -13.55354 -20.85387 1.000 46.92412  ? 691 PRO A O    1 
ATOM   607  C CB   . PRO A 1 114 ? -0.98253  -11.08998 -22.67732 1.000 50.93068  ? 691 PRO A CB   1 
ATOM   608  C CG   . PRO A 1 114 ? -0.22104  -11.43098 -23.93538 1.000 51.96609  ? 691 PRO A CG   1 
ATOM   609  C CD   . PRO A 1 114 ? 0.06729   -12.89476 -23.82322 1.000 47.36050  ? 691 PRO A CD   1 
ATOM   610  N N    . TRP A 1 115 ? -1.60173  -11.78721 -19.53223 1.000 49.03701  ? 692 TRP A N    1 
ATOM   611  C CA   . TRP A 1 115 ? -2.60911  -12.19108 -18.55758 1.000 55.05232  ? 692 TRP A CA   1 
ATOM   612  C C    . TRP A 1 115 ? -4.01774  -11.90105 -19.06890 1.000 57.25536  ? 692 TRP A C    1 
ATOM   613  O O    . TRP A 1 115 ? -4.92830  -12.71923 -18.88938 1.000 56.99623  ? 692 TRP A O    1 
ATOM   614  C CB   . TRP A 1 115 ? -2.36085  -11.49140 -17.21742 1.000 57.01020  ? 692 TRP A CB   1 
ATOM   615  C CG   . TRP A 1 115 ? -3.28844  -11.94705 -16.11577 1.000 59.57006  ? 692 TRP A CG   1 
ATOM   616  C CD1  . TRP A 1 115 ? -4.34286  -11.25357 -15.58369 1.000 61.67680  ? 692 TRP A CD1  1 
ATOM   617  C CD2  . TRP A 1 115 ? -3.23977  -13.19892 -15.41756 1.000 57.60634  ? 692 TRP A CD2  1 
ATOM   618  N NE1  . TRP A 1 115 ? -4.94951  -12.00048 -14.60053 1.000 59.36766  ? 692 TRP A NE1  1 
ATOM   619  C CE2  . TRP A 1 115 ? -4.29328  -13.20010 -14.48388 1.000 60.90671  ? 692 TRP A CE2  1 
ATOM   620  C CE3  . TRP A 1 115 ? -2.40768  -14.31825 -15.49463 1.000 55.67163  ? 692 TRP A CE3  1 
ATOM   621  C CZ2  . TRP A 1 115 ? -4.52843  -14.27501 -13.63028 1.000 62.60165  ? 692 TRP A CZ2  1 
ATOM   622  C CZ3  . TRP A 1 115 ? -2.64290  -15.38063 -14.65427 1.000 54.60586  ? 692 TRP A CZ3  1 
ATOM   623  C CH2  . TRP A 1 115 ? -3.69697  -15.35531 -13.73405 1.000 60.44549  ? 692 TRP A CH2  1 
ATOM   624  N N    . VAL A 1 116 ? -4.21518  -10.75341 -19.71747 1.000 54.39382  ? 693 VAL A N    1 
ATOM   625  C CA   . VAL A 1 116 ? -5.50494  -10.36962 -20.29190 1.000 56.55033  ? 693 VAL A CA   1 
ATOM   626  C C    . VAL A 1 116 ? -5.37470  -10.33521 -21.81067 1.000 55.43060  ? 693 VAL A C    1 
ATOM   627  O O    . VAL A 1 116 ? -4.45630  -9.70295  -22.35029 1.000 56.29609  ? 693 VAL A O    1 
ATOM   628  C CB   . VAL A 1 116 ? -5.97837  -9.00036  -19.77268 1.000 58.98967  ? 693 VAL A CB   1 
ATOM   629  C CG1  . VAL A 1 116 ? -7.40455  -8.70555  -20.25521 1.000 61.90904  ? 693 VAL A CG1  1 
ATOM   630  C CG2  . VAL A 1 116 ? -5.87585  -8.90946  -18.24669 1.000 57.83805  ? 693 VAL A CG2  1 
ATOM   631  N N    . VAL A 1 117 ? -6.30607  -10.99243 -22.49807 1.000 54.63569  ? 694 VAL A N    1 
ATOM   632  C CA   . VAL A 1 117 ? -6.37905  -10.89671 -23.95061 1.000 51.87667  ? 694 VAL A CA   1 
ATOM   633  C C    . VAL A 1 117 ? -6.82278  -9.50052  -24.36065 1.000 55.28088  ? 694 VAL A C    1 
ATOM   634  O O    . VAL A 1 117 ? -7.66499  -8.87742  -23.70072 1.000 59.14003  ? 694 VAL A O    1 
ATOM   635  C CB   . VAL A 1 117 ? -7.34785  -11.95320 -24.50271 1.000 57.67712  ? 694 VAL A CB   1 
ATOM   636  C CG1  . VAL A 1 117 ? -7.40680  -11.85669 -26.02569 1.000 50.43312  ? 694 VAL A CG1  1 
ATOM   637  C CG2  . VAL A 1 117 ? -6.92617  -13.34990 -24.04905 1.000 49.59562  ? 694 VAL A CG2  1 
ATOM   638  N N    . THR A 1 118 ? -6.27071  -9.00377  -25.46149 1.000 55.72696  ? 695 THR A N    1 
ATOM   639  C CA   . THR A 1 118 ? -6.62312  -7.70625  -26.01619 1.000 55.13812  ? 695 THR A CA   1 
ATOM   640  C C    . THR A 1 118 ? -6.97048  -7.84631  -27.48722 1.000 53.35831  ? 695 THR A C    1 
ATOM   641  O O    . THR A 1 118 ? -6.53604  -8.79165  -28.15073 1.000 51.58240  ? 695 THR A O    1 
ATOM   642  C CB   . THR A 1 118 ? -5.48042  -6.68692  -25.89020 1.000 57.85226  ? 695 THR A CB   1 
ATOM   643  O OG1  . THR A 1 118 ? -4.31004  -7.20765  -26.53937 1.000 53.40431  ? 695 THR A OG1  1 
ATOM   644  C CG2  . THR A 1 118 ? -5.18561  -6.36970  -24.42868 1.000 58.47015  ? 695 THR A CG2  1 
ATOM   645  N N    . PRO A 1 119 ? -7.74222  -6.90242  -28.02999 1.000 56.72265  ? 696 PRO A N    1 
ATOM   646  C CA   . PRO A 1 119 ? -7.97061  -6.89019  -29.48529 1.000 58.27258  ? 696 PRO A CA   1 
ATOM   647  C C    . PRO A 1 119 ? -6.67826  -6.89437  -30.28088 1.000 55.74965  ? 696 PRO A C    1 
ATOM   648  O O    . PRO A 1 119 ? -6.54576  -7.66677  -31.23519 1.000 51.64201  ? 696 PRO A O    1 
ATOM   649  C CB   . PRO A 1 119 ? -8.76126  -5.59444  -29.70153 1.000 55.56464  ? 696 PRO A CB   1 
ATOM   650  C CG   . PRO A 1 119 ? -9.34294  -5.26062  -28.37616 1.000 61.47415  ? 696 PRO A CG   1 
ATOM   651  C CD   . PRO A 1 119 ? -8.40436  -5.78152  -27.34433 1.000 59.64567  ? 696 PRO A CD   1 
ATOM   652  N N    . GLU A 1 120 ? -5.72000  -6.03298  -29.91412 1.000 56.28606  ? 697 GLU A N    1 
ATOM   653  C CA   . GLU A 1 120 ? -4.44202  -5.99405  -30.62015 1.000 52.54263  ? 697 GLU A CA   1 
ATOM   654  C C    . GLU A 1 120 ? -3.77900  -7.35984  -30.63410 1.000 51.51523  ? 697 GLU A C    1 
ATOM   655  O O    . GLU A 1 120 ? -3.16475  -7.74811  -31.63533 1.000 55.82536  ? 697 GLU A O    1 
ATOM   656  C CB   . GLU A 1 120 ? -3.50039  -4.96976  -29.97695 1.000 59.03463  ? 697 GLU A CB   1 
ATOM   657  C CG   . GLU A 1 120 ? -3.89749  -3.52606  -30.20362 1.000 63.99835  ? 697 GLU A CG   1 
ATOM   658  C CD   . GLU A 1 120 ? -5.10511  -3.12632  -29.38907 1.000 67.89817  ? 697 GLU A CD   1 
ATOM   659  O OE1  . GLU A 1 120 ? -5.51719  -3.93107  -28.52276 1.000 63.22653  ? 697 GLU A OE1  1 
ATOM   660  O OE2  . GLU A 1 120 ? -5.64422  -2.01741  -29.62040 1.000 76.17822  ? 697 GLU A OE2  1 
ATOM   661  N N    . PHE A 1 121 ? -3.86760  -8.09322  -29.51945 1.000 51.95209  ? 698 PHE A N    1 
ATOM   662  C CA   . PHE A 1 121 ? -3.21458  -9.39349  -29.43439 1.000 47.06407  ? 698 PHE A CA   1 
ATOM   663  C C    . PHE A 1 121 ? -3.82330  -10.36634 -30.43259 1.000 53.37484  ? 698 PHE A C    1 
ATOM   664  O O    . PHE A 1 121 ? -3.10303  -11.14300 -31.07784 1.000 47.00770  ? 698 PHE A O    1 
ATOM   665  C CB   . PHE A 1 121 ? -3.31099  -9.91837  -27.99714 1.000 47.67441  ? 698 PHE A CB   1 
ATOM   666  C CG   . PHE A 1 121 ? -2.79157  -11.32722 -27.79937 1.000 45.99397  ? 698 PHE A CG   1 
ATOM   667  C CD1  . PHE A 1 121 ? -1.45629  -11.55605 -27.49229 1.000 45.65052  ? 698 PHE A CD1  1 
ATOM   668  C CD2  . PHE A 1 121 ? -3.65076  -12.41768 -27.87329 1.000 47.83171  ? 698 PHE A CD2  1 
ATOM   669  C CE1  . PHE A 1 121 ? -0.98342  -12.84154 -27.28239 1.000 44.07596  ? 698 PHE A CE1  1 
ATOM   670  C CE2  . PHE A 1 121 ? -3.18238  -13.72101 -27.66986 1.000 42.83246  ? 698 PHE A CE2  1 
ATOM   671  C CZ   . PHE A 1 121 ? -1.84380  -13.92624 -27.37197 1.000 47.79462  ? 698 PHE A CZ   1 
ATOM   672  N N    . LEU A 1 122 ? -5.15320  -10.33161 -30.57824 1.000 46.45845  ? 699 LEU A N    1 
ATOM   673  C CA   . LEU A 1 122 ? -5.81915  -11.18980 -31.55133 1.000 47.68072  ? 699 LEU A CA   1 
ATOM   674  C C    . LEU A 1 122 ? -5.35229  -10.88295 -32.96374 1.000 50.67237  ? 699 LEU A C    1 
ATOM   675  O O    . LEU A 1 122 ? -5.20427  -11.78992 -33.78988 1.000 46.08984  ? 699 LEU A O    1 
ATOM   676  C CB   . LEU A 1 122 ? -7.34230  -11.01436 -31.46209 1.000 51.34142  ? 699 LEU A CB   1 
ATOM   677  C CG   . LEU A 1 122 ? -7.96189  -11.34474 -30.10864 1.000 52.66441  ? 699 LEU A CG   1 
ATOM   678  C CD1  . LEU A 1 122 ? -9.50146  -11.23296 -30.16826 1.000 56.21797  ? 699 LEU A CD1  1 
ATOM   679  C CD2  . LEU A 1 122 ? -7.52334  -12.72957 -29.64817 1.000 44.84173  ? 699 LEU A CD2  1 
ATOM   680  N N    . GLU A 1 123 ? -5.15063  -9.60134  -33.26852 1.000 49.68353  ? 700 GLU A N    1 
ATOM   681  C CA   . GLU A 1 123 ? -4.71220  -9.22419  -34.60193 1.000 51.59405  ? 700 GLU A CA   1 
ATOM   682  C C    . GLU A 1 123 ? -3.26762  -9.64590  -34.83609 1.000 55.22358  ? 700 GLU A C    1 
ATOM   683  O O    . GLU A 1 123 ? -2.94966  -10.25591 -35.86283 1.000 58.10394  ? 700 GLU A O    1 
ATOM   684  C CB   . GLU A 1 123 ? -4.87406  -7.71876  -34.79734 1.000 54.26606  ? 700 GLU A CB   1 
ATOM   685  C CG   . GLU A 1 123 ? -4.73466  -7.27424  -36.23860 1.000 64.66725  ? 700 GLU A CG   1 
ATOM   686  C CD   . GLU A 1 123 ? -5.89139  -7.74272  -37.10874 1.000 72.45316  ? 700 GLU A CD   1 
ATOM   687  O OE1  . GLU A 1 123 ? -6.96053  -8.09405  -36.55285 1.000 72.29765  ? 700 GLU A OE1  1 
ATOM   688  O OE2  . GLU A 1 123 ? -5.72860  -7.75871  -38.34862 1.000 74.54246  ? 700 GLU A OE2  1 
ATOM   689  N N    . LYS A 1 124 ? -2.37806  -9.32897  -33.88974 1.000 51.46006  ? 701 LYS A N    1 
ATOM   690  C CA   . LYS A 1 124 ? -0.96785  -9.67534  -34.04246 1.000 51.98340  ? 701 LYS A CA   1 
ATOM   691  C C    . LYS A 1 124 ? -0.80108  -11.13468 -34.44355 1.000 49.64410  ? 701 LYS A C    1 
ATOM   692  O O    . LYS A 1 124 ? -0.10877  -11.44624 -35.41769 1.000 50.99976  ? 701 LYS A O    1 
ATOM   693  C CB   . LYS A 1 124 ? -0.21410  -9.38990  -32.74196 1.000 50.92093  ? 701 LYS A CB   1 
ATOM   694  C CG   . LYS A 1 124 ? 1.31128   -9.52121  -32.86346 1.000 56.27847  ? 701 LYS A CG   1 
ATOM   695  C CD   . LYS A 1 124 ? 1.99394   -9.26693  -31.52389 1.000 48.27921  ? 701 LYS A CD   1 
ATOM   696  C CE   . LYS A 1 124 ? 3.48657   -8.95775  -31.70554 1.000 63.90041  ? 701 LYS A CE   1 
ATOM   697  N NZ   . LYS A 1 124 ? 4.18504   -10.00682 -32.49588 1.000 57.76794  ? 701 LYS A NZ   1 
ATOM   698  N N    . TYR A 1 125 ? -1.43173  -12.04311 -33.69879 1.000 47.74436  ? 702 TYR A N    1 
ATOM   699  C CA   . TYR A 1 125 ? -1.30069  -13.48345 -33.90439 1.000 46.82274  ? 702 TYR A CA   1 
ATOM   700  C C    . TYR A 1 125 ? -2.35917  -14.06733 -34.83665 1.000 45.47822  ? 702 TYR A C    1 
ATOM   701  O O    . TYR A 1 125 ? -2.37415  -15.28279 -35.03621 1.000 43.59891  ? 702 TYR A O    1 
ATOM   702  C CB   . TYR A 1 125 ? -1.34083  -14.21222 -32.55588 1.000 43.00503  ? 702 TYR A CB   1 
ATOM   703  C CG   . TYR A 1 125 ? -0.17223  -13.84850 -31.66849 1.000 50.90084  ? 702 TYR A CG   1 
ATOM   704  C CD1  . TYR A 1 125 ? -0.23062  -12.74918 -30.82329 1.000 49.46019  ? 702 TYR A CD1  1 
ATOM   705  C CD2  . TYR A 1 125 ? 1.01105   -14.58257 -31.70957 1.000 47.88687  ? 702 TYR A CD2  1 
ATOM   706  C CE1  . TYR A 1 125 ? 0.85579   -12.40435 -30.02186 1.000 51.51747  ? 702 TYR A CE1  1 
ATOM   707  C CE2  . TYR A 1 125 ? 2.09562   -14.24479 -30.91662 1.000 49.39592  ? 702 TYR A CE2  1 
ATOM   708  C CZ   . TYR A 1 125 ? 2.01106   -13.15699 -30.07421 1.000 50.62490  ? 702 TYR A CZ   1 
ATOM   709  O OH   . TYR A 1 125 ? 3.07953   -12.80884 -29.28497 1.000 52.56572  ? 702 TYR A OH   1 
ATOM   710  N N    . LYS A 1 126 ? -3.22968  -13.23395 -35.41440 1.000 48.01798  ? 703 LYS A N    1 
ATOM   711  C CA   . LYS A 1 126 ? -4.23614  -13.67501 -36.38577 1.000 46.60608  ? 703 LYS A CA   1 
ATOM   712  C C    . LYS A 1 126 ? -5.15742  -14.72943 -35.78484 1.000 45.64181  ? 703 LYS A C    1 
ATOM   713  O O    . LYS A 1 126 ? -5.46042  -15.74994 -36.40953 1.000 46.62691  ? 703 LYS A O    1 
ATOM   714  C CB   . LYS A 1 126 ? -3.57944  -14.19668 -37.66645 1.000 51.26341  ? 703 LYS A CB   1 
ATOM   715  C CG   . LYS A 1 126 ? -2.52745  -13.26009 -38.23679 1.000 52.59170  ? 703 LYS A CG   1 
ATOM   716  C CD   . LYS A 1 126 ? -2.29855  -13.55379 -39.71010 1.000 66.59907  ? 703 LYS A CD   1 
ATOM   717  C CE   . LYS A 1 126 ? -0.84758  -13.33737 -40.10567 1.000 70.24402  ? 703 LYS A CE   1 
ATOM   718  N NZ   . LYS A 1 126 ? -0.41613  -11.93081 -39.88229 1.000 74.87098  ? 703 LYS A NZ   1 
ATOM   719  N N    . ILE A 1 127 ? -5.61035  -14.47624 -34.56306 1.000 47.68409  ? 704 ILE A N    1 
ATOM   720  C CA   . ILE A 1 127 ? -6.41786  -15.42787 -33.80673 1.000 42.08348  ? 704 ILE A CA   1 
ATOM   721  C C    . ILE A 1 127 ? -7.88996  -15.23396 -34.15865 1.000 40.00011  ? 704 ILE A C    1 
ATOM   722  O O    . ILE A 1 127 ? -8.41906  -14.12459 -34.05449 1.000 44.55230  ? 704 ILE A O    1 
ATOM   723  C CB   . ILE A 1 127 ? -6.17807  -15.24932 -32.29920 1.000 44.81443  ? 704 ILE A CB   1 
ATOM   724  C CG1  . ILE A 1 127 ? -4.76384  -15.72547 -31.94419 1.000 43.56577  ? 704 ILE A CG1  1 
ATOM   725  C CG2  . ILE A 1 127 ? -7.25442  -15.96560 -31.47769 1.000 44.49889  ? 704 ILE A CG2  1 
ATOM   726  C CD1  . ILE A 1 127 ? -4.26269  -15.19479 -30.61897 1.000 43.63455  ? 704 ILE A CD1  1 
ATOM   727  N N    . ASP A 1 128 ? -8.55505  -16.31295 -34.57590 1.000 43.29325  ? 705 ASP A N    1 
ATOM   728  C CA   . ASP A 1 128 ? -9.96182  -16.22043 -34.96322 1.000 40.65367  ? 705 ASP A CA   1 
ATOM   729  C C    . ASP A 1 128 ? -10.92052 -16.35556 -33.77777 1.000 41.76138  ? 705 ASP A C    1 
ATOM   730  O O    . ASP A 1 128 ? -11.95904 -15.68698 -33.75250 1.000 40.78154  ? 705 ASP A O    1 
ATOM   731  C CB   . ASP A 1 128 ? -10.28813 -17.27997 -36.01810 1.000 38.22694  ? 705 ASP A CB   1 
ATOM   732  C CG   . ASP A 1 128 ? -9.49039  -17.08052 -37.30236 1.000 44.96193  ? 705 ASP A CG   1 
ATOM   733  O OD1  . ASP A 1 128 ? -9.58624  -15.99789 -37.88784 1.000 47.59293  ? 705 ASP A OD1  1 
ATOM   734  O OD2  . ASP A 1 128 ? -8.74263  -17.99100 -37.70776 1.000 46.83659  ? 705 ASP A OD2  1 
ATOM   735  N N    . TYR A 1 129 ? -10.60118 -17.19452 -32.79113 1.000 39.76041  ? 706 TYR A N    1 
ATOM   736  C CA   . TYR A 1 129 ? -11.49131 -17.41741 -31.65327 1.000 39.89590  ? 706 TYR A CA   1 
ATOM   737  C C    . TYR A 1 129 ? -10.65757 -17.68854 -30.40699 1.000 43.50816  ? 706 TYR A C    1 
ATOM   738  O O    . TYR A 1 129 ? -9.57849  -18.28105 -30.48018 1.000 36.19582  ? 706 TYR A O    1 
ATOM   739  C CB   . TYR A 1 129 ? -12.44377 -18.60588 -31.87048 1.000 37.50119  ? 706 TYR A CB   1 
ATOM   740  C CG   . TYR A 1 129 ? -13.29553 -18.53092 -33.12751 1.000 40.20958  ? 706 TYR A CG   1 
ATOM   741  C CD1  . TYR A 1 129 ? -12.79292 -18.97197 -34.34198 1.000 41.87458  ? 706 TYR A CD1  1 
ATOM   742  C CD2  . TYR A 1 129 ? -14.58799 -18.02956 -33.09687 1.000 39.46623  ? 706 TYR A CD2  1 
ATOM   743  C CE1  . TYR A 1 129 ? -13.53952 -18.90839 -35.49834 1.000 40.75816  ? 706 TYR A CE1  1 
ATOM   744  C CE2  . TYR A 1 129 ? -15.35944 -17.96827 -34.26264 1.000 42.16410  ? 706 TYR A CE2  1 
ATOM   745  C CZ   . TYR A 1 129 ? -14.81169 -18.41864 -35.45976 1.000 37.01474  ? 706 TYR A CZ   1 
ATOM   746  O OH   . TYR A 1 129 ? -15.51302 -18.35608 -36.64074 1.000 42.15173  ? 706 TYR A OH   1 
ATOM   747  N N    . VAL A 1 130 ? -11.18058 -17.27140 -29.25799 1.000 43.00678  ? 707 VAL A N    1 
ATOM   748  C CA   . VAL A 1 130 ? -10.59448 -17.59345 -27.96043 1.000 40.67916  ? 707 VAL A CA   1 
ATOM   749  C C    . VAL A 1 130 ? -11.46250 -18.67887 -27.34201 1.000 44.21079  ? 707 VAL A C    1 
ATOM   750  O O    . VAL A 1 130 ? -12.68622 -18.53640 -27.29657 1.000 45.17649  ? 707 VAL A O    1 
ATOM   751  C CB   . VAL A 1 130 ? -10.51742 -16.34992 -27.05991 1.000 35.30378  ? 707 VAL A CB   1 
ATOM   752  C CG1  . VAL A 1 130 ? -9.96528  -16.71580 -25.66324 1.000 38.73391  ? 707 VAL A CG1  1 
ATOM   753  C CG2  . VAL A 1 130 ? -9.62908  -15.27278 -27.71732 1.000 45.80748  ? 707 VAL A CG2  1 
ATOM   754  N N    . ALA A 1 131 ? -10.85003 -19.78332 -26.92368 1.000 43.27045  ? 708 ALA A N    1 
ATOM   755  C CA   . ALA A 1 131 ? -11.59284 -20.90310 -26.34384 1.000 46.31376  ? 708 ALA A CA   1 
ATOM   756  C C    . ALA A 1 131 ? -11.34696 -20.94380 -24.84203 1.000 43.69249  ? 708 ALA A C    1 
ATOM   757  O O    . ALA A 1 131 ? -10.19990 -21.04399 -24.41039 1.000 47.49488  ? 708 ALA A O    1 
ATOM   758  C CB   . ALA A 1 131 ? -11.16984 -22.22968 -26.97622 1.000 45.85180  ? 708 ALA A CB   1 
ATOM   759  N N    . HIS A 1 132 ? -12.41919 -20.89123 -24.05350 1.000 47.57698  ? 709 HIS A N    1 
ATOM   760  C CA   . HIS A 1 132 ? -12.30231 -20.93096 -22.60047 1.000 53.98627  ? 709 HIS A CA   1 
ATOM   761  C C    . HIS A 1 132 ? -13.62994 -21.41524 -22.03464 1.000 55.39583  ? 709 HIS A C    1 
ATOM   762  O O    . HIS A 1 132 ? -14.67631 -21.28353 -22.67569 1.000 54.49467  ? 709 HIS A O    1 
ATOM   763  C CB   . HIS A 1 132 ? -11.91668 -19.55554 -22.02289 1.000 56.84859  ? 709 HIS A CB   1 
ATOM   764  C CG   . HIS A 1 132 ? -11.31506 -19.60960 -20.64614 1.000 62.74835  ? 709 HIS A CG   1 
ATOM   765  N ND1  . HIS A 1 132 ? -12.02385 -19.28638 -19.50740 1.000 70.41196  ? 709 HIS A ND1  1 
ATOM   766  C CD2  . HIS A 1 132 ? -10.06272 -19.92168 -20.22966 1.000 61.31840  ? 709 HIS A CD2  1 
ATOM   767  C CE1  . HIS A 1 132 ? -11.23904 -19.40968 -18.44932 1.000 67.54820  ? 709 HIS A CE1  1 
ATOM   768  N NE2  . HIS A 1 132 ? -10.04424 -19.79685 -18.86066 1.000 64.92362  ? 709 HIS A NE2  1 
ATOM   769  N N    . ASP A 1 133 ? -13.57454 -22.00862 -20.84676 1.000 57.63276  ? 710 ASP A N    1 
ATOM   770  C CA   . ASP A 1 133 ? -14.80156 -22.41981 -20.18474 1.000 60.41730  ? 710 ASP A CA   1 
ATOM   771  C C    . ASP A 1 133 ? -15.62089 -21.18068 -19.84513 1.000 75.09489  ? 710 ASP A C    1 
ATOM   772  O O    . ASP A 1 133 ? -15.06934 -20.11759 -19.54643 1.000 73.20238  ? 710 ASP A O    1 
ATOM   773  C CB   . ASP A 1 133 ? -14.49654 -23.24114 -18.93033 1.000 64.26081  ? 710 ASP A CB   1 
ATOM   774  C CG   . ASP A 1 133 ? -13.44183 -22.59615 -18.04561 1.000 67.90856  ? 710 ASP A CG   1 
ATOM   775  O OD1  . ASP A 1 133 ? -12.27949 -22.47569 -18.47799 1.000 70.58498  ? 710 ASP A OD1  1 
ATOM   776  O OD2  . ASP A 1 133 ? -13.77332 -22.21580 -16.90521 1.000 80.30466  ? 710 ASP A OD2  1 
ATOM   777  N N    . ASP A 1 134 ? -16.94260 -21.30839 -19.92130 1.000 77.39866  ? 711 ASP A N    1 
ATOM   778  C CA   . ASP A 1 134 ? -17.81112 -20.14263 -19.76669 1.000 80.67858  ? 711 ASP A CA   1 
ATOM   779  C C    . ASP A 1 134 ? -18.20470 -19.93146 -18.30790 1.000 78.78269  ? 711 ASP A C    1 
ATOM   780  O O    . ASP A 1 134 ? -19.19660 -20.48065 -17.84270 1.000 91.27698  ? 711 ASP A O    1 
ATOM   781  C CB   . ASP A 1 134 ? -19.06520 -20.28473 -20.63884 1.000 89.64222  ? 711 ASP A CB   1 
ATOM   782  C CG   . ASP A 1 134 ? -19.59263 -18.93696 -21.14692 1.000 88.78305  ? 711 ASP A CG   1 
ATOM   783  O OD1  . ASP A 1 134 ? -19.28578 -17.88926 -20.52837 1.000 92.03943  ? 711 ASP A OD1  1 
ATOM   784  O OD2  . ASP A 1 134 ? -20.31379 -18.93385 -22.16916 1.000 85.02566  ? 711 ASP A OD2  1 
ATOM   785  N N    . ASP A 1 144 ? -18.04703 -10.14482 -16.59846 1.000 105.34260 ? 739 ASP A N    1 
ATOM   786  C CA   . ASP A 1 144 ? -17.57452 -11.06739 -17.62101 1.000 98.73154  ? 739 ASP A CA   1 
ATOM   787  C C    . ASP A 1 144 ? -16.37561 -10.47155 -18.34710 1.000 97.42513  ? 739 ASP A C    1 
ATOM   788  O O    . ASP A 1 144 ? -16.47848 -9.40907  -18.96110 1.000 97.26135  ? 739 ASP A O    1 
ATOM   789  C CB   . ASP A 1 144 ? -18.69494 -11.39444 -18.61416 1.000 96.88455  ? 739 ASP A CB   1 
ATOM   790  C CG   . ASP A 1 144 ? -18.36498 -12.58422 -19.51122 1.000 95.64693  ? 739 ASP A CG   1 
ATOM   791  O OD1  . ASP A 1 144 ? -17.29053 -13.20174 -19.33342 1.000 97.25014  ? 739 ASP A OD1  1 
ATOM   792  O OD2  . ASP A 1 144 ? -19.18962 -12.90825 -20.39678 1.000 88.35852  ? 739 ASP A OD2  1 
ATOM   793  N N    . ILE A 1 145 ? -15.23121 -11.15723 -18.25915 1.000 96.68182  ? 740 ILE A N    1 
ATOM   794  C CA   . ILE A 1 145 ? -14.03257 -10.72889 -18.97812 1.000 95.93137  ? 740 ILE A CA   1 
ATOM   795  C C    . ILE A 1 145 ? -14.04792 -11.13675 -20.44192 1.000 91.69281  ? 740 ILE A C    1 
ATOM   796  O O    . ILE A 1 145 ? -13.19660 -10.67792 -21.21423 1.000 88.83371  ? 740 ILE A O    1 
ATOM   797  C CB   . ILE A 1 145 ? -12.76475 -11.29126 -18.30830 1.000 97.34880  ? 740 ILE A CB   1 
ATOM   798  N N    . TYR A 1 146 ? -14.98912 -11.98371 -20.85064 1.000 85.66180  ? 741 TYR A N    1 
ATOM   799  C CA   . TYR A 1 146 ? -15.10414 -12.40679 -22.23579 1.000 75.01249  ? 741 TYR A CA   1 
ATOM   800  C C    . TYR A 1 146 ? -16.26422 -11.73690 -22.96822 1.000 68.60959  ? 741 TYR A C    1 
ATOM   801  O O    . TYR A 1 146 ? -16.52239 -12.07178 -24.13096 1.000 65.13005  ? 741 TYR A O    1 
ATOM   802  C CB   . TYR A 1 146 ? -15.24544 -13.92920 -22.30681 1.000 76.59722  ? 741 TYR A CB   1 
ATOM   803  N N    . ALA A 1 147 ? -16.95631 -10.79249 -22.32770 1.000 68.88319  ? 742 ALA A N    1 
ATOM   804  C CA   . ALA A 1 147 ? -18.08442 -10.13009 -22.97857 1.000 67.52010  ? 742 ALA A CA   1 
ATOM   805  C C    . ALA A 1 147 ? -17.66607 -9.50956  -24.30991 1.000 62.16101  ? 742 ALA A C    1 
ATOM   806  O O    . ALA A 1 147 ? -18.34628 -9.67943  -25.33179 1.000 50.68553  ? 742 ALA A O    1 
ATOM   807  C CB   . ALA A 1 147 ? -18.68984 -9.07367  -22.04832 1.000 65.62826  ? 742 ALA A CB   1 
ATOM   808  N N    . TRP A 1 148 ? -16.53352 -8.79963  -24.33066 1.000 57.26626  ? 743 TRP A N    1 
ATOM   809  C CA   . TRP A 1 148 ? -16.14207 -8.15648  -25.58043 1.000 54.06925  ? 743 TRP A CA   1 
ATOM   810  C C    . TRP A 1 148 ? -15.84222 -9.18645  -26.65775 1.000 49.34551  ? 743 TRP A C    1 
ATOM   811  O O    . TRP A 1 148 ? -16.07749 -8.92523  -27.84466 1.000 48.21246  ? 743 TRP A O    1 
ATOM   812  C CB   . TRP A 1 148 ? -14.94579 -7.22879  -25.35925 1.000 59.91921  ? 743 TRP A CB   1 
ATOM   813  C CG   . TRP A 1 148 ? -13.63142 -7.90632  -25.08543 1.000 59.98170  ? 743 TRP A CG   1 
ATOM   814  C CD1  . TRP A 1 148 ? -13.10391 -8.21956  -23.86185 1.000 64.81764  ? 743 TRP A CD1  1 
ATOM   815  C CD2  . TRP A 1 148 ? -12.65573 -8.30882  -26.05754 1.000 54.20374  ? 743 TRP A CD2  1 
ATOM   816  N NE1  . TRP A 1 148 ? -11.86617 -8.80356  -24.01376 1.000 61.15164  ? 743 TRP A NE1  1 
ATOM   817  C CE2  . TRP A 1 148 ? -11.56725 -8.86783  -25.35037 1.000 55.07957  ? 743 TRP A CE2  1 
ATOM   818  C CE3  . TRP A 1 148 ? -12.59923 -8.25294  -27.45436 1.000 50.87662  ? 743 TRP A CE3  1 
ATOM   819  C CZ2  . TRP A 1 148 ? -10.43741 -9.37620  -25.99494 1.000 55.86499  ? 743 TRP A CZ2  1 
ATOM   820  C CZ3  . TRP A 1 148 ? -11.47259 -8.75696  -28.09405 1.000 56.72292  ? 743 TRP A CZ3  1 
ATOM   821  C CH2  . TRP A 1 148 ? -10.40353 -9.30286  -27.36058 1.000 53.02309  ? 743 TRP A CH2  1 
ATOM   822  N N    . LEU A 1 149 ? -15.35809 -10.36954 -26.26354 1.000 47.11563  ? 744 LEU A N    1 
ATOM   823  C CA   . LEU A 1 149 ? -15.09975 -11.42494 -27.23843 1.000 48.47556  ? 744 LEU A CA   1 
ATOM   824  C C    . LEU A 1 149 ? -16.39902 -12.00212 -27.79274 1.000 43.72626  ? 744 LEU A C    1 
ATOM   825  O O    . LEU A 1 149 ? -16.50809 -12.26504 -28.99587 1.000 43.92704  ? 744 LEU A O    1 
ATOM   826  C CB   . LEU A 1 149 ? -14.26224 -12.53531 -26.60556 1.000 46.08922  ? 744 LEU A CB   1 
ATOM   827  C CG   . LEU A 1 149 ? -12.78133 -12.23301 -26.36683 1.000 52.42218  ? 744 LEU A CG   1 
ATOM   828  C CD1  . LEU A 1 149 ? -12.25753 -13.20523 -25.35160 1.000 53.45557  ? 744 LEU A CD1  1 
ATOM   829  C CD2  . LEU A 1 149 ? -12.01793 -12.35593 -27.67363 1.000 47.08365  ? 744 LEU A CD2  1 
ATOM   830  N N    . LYS A 1 150 ? -17.37362 -12.25415 -26.92859 1.000 44.91945  ? 745 LYS A N    1 
ATOM   831  C CA   . LYS A 1 150 ? -18.67075 -12.72517 -27.41700 1.000 44.71921  ? 745 LYS A CA   1 
ATOM   832  C C    . LYS A 1 150 ? -19.30621 -11.70051 -28.34507 1.000 44.93876  ? 745 LYS A C    1 
ATOM   833  O O    . LYS A 1 150 ? -19.83522 -12.05265 -29.41056 1.000 43.82663  ? 745 LYS A O    1 
ATOM   834  C CB   . LYS A 1 150 ? -19.59690 -13.02049 -26.23641 1.000 46.71487  ? 745 LYS A CB   1 
ATOM   835  C CG   . LYS A 1 150 ? -19.16575 -14.20524 -25.38133 1.000 48.01666  ? 745 LYS A CG   1 
ATOM   836  C CD   . LYS A 1 150 ? -20.06815 -14.31902 -24.16311 1.000 52.06248  ? 745 LYS A CD   1 
ATOM   837  C CE   . LYS A 1 150 ? -19.49869 -15.25546 -23.12430 1.000 59.55413  ? 745 LYS A CE   1 
ATOM   838  N NZ   . LYS A 1 150 ? -20.40426 -15.37295 -21.95274 1.000 63.50028  ? 745 LYS A NZ   1 
ATOM   839  N N    . ARG A 1 151 ? -19.26875 -10.42507 -27.95172 1.000 46.62320  ? 746 ARG A N    1 
ATOM   840  C CA   . ARG A 1 151 ? -19.82966 -9.37824  -28.79146 1.000 47.00975  ? 746 ARG A CA   1 
ATOM   841  C C    . ARG A 1 151 ? -19.21645 -9.38839  -30.18132 1.000 44.83919  ? 746 ARG A C    1 
ATOM   842  O O    . ARG A 1 151 ? -19.90580 -9.10335  -31.16595 1.000 49.39665  ? 746 ARG A O    1 
ATOM   843  C CB   . ARG A 1 151 ? -19.63802 -8.00881  -28.13632 1.000 49.41850  ? 746 ARG A CB   1 
ATOM   844  C CG   . ARG A 1 151 ? -20.41258 -6.89173  -28.83383 1.000 55.27534  ? 746 ARG A CG   1 
ATOM   845  C CD   . ARG A 1 151 ? -20.50457 -5.68217  -27.92602 1.000 60.35593  ? 746 ARG A CD   1 
ATOM   846  N NE   . ARG A 1 151 ? -19.54762 -5.81830  -26.83595 1.000 65.04465  ? 746 ARG A NE   1 
ATOM   847  C CZ   . ARG A 1 151 ? -19.71085 -5.31663  -25.61951 1.000 69.03190  ? 746 ARG A CZ   1 
ATOM   848  N NH1  . ARG A 1 151 ? -20.79342 -4.62653  -25.29527 1.000 73.46456  ? 746 ARG A NH1  1 
ATOM   849  N NH2  . ARG A 1 151 ? -18.76996 -5.52608  -24.70170 1.000 63.44841  ? 746 ARG A NH2  1 
ATOM   850  N N    . ALA A 1 152 ? -17.94848 -9.75424  -30.29744 1.000 44.31323  ? 747 ALA A N    1 
ATOM   851  C CA   . ALA A 1 152 ? -17.30086 -9.71500  -31.59853 1.000 42.22870  ? 747 ALA A CA   1 
ATOM   852  C C    . ALA A 1 152 ? -17.39758 -11.02968 -32.36008 1.000 44.31920  ? 747 ALA A C    1 
ATOM   853  O O    . ALA A 1 152 ? -16.84672 -11.12254 -33.45897 1.000 46.98597  ? 747 ALA A O    1 
ATOM   854  C CB   . ALA A 1 152 ? -15.83112 -9.31041  -31.43271 1.000 42.58302  ? 747 ALA A CB   1 
ATOM   855  N N    . GLY A 1 153 ? -18.09424 -12.03610 -31.82546 1.000 44.53331  ? 748 GLY A N    1 
ATOM   856  C CA   . GLY A 1 153 ? -18.18509 -13.32880 -32.48960 1.000 39.78900  ? 748 GLY A CA   1 
ATOM   857  C C    . GLY A 1 153 ? -16.97873 -14.22009 -32.30531 1.000 44.06345  ? 748 GLY A C    1 
ATOM   858  O O    . GLY A 1 153 ? -16.84680 -15.23043 -33.00769 1.000 43.91356  ? 748 GLY A O    1 
ATOM   859  N N    . LYS A 1 154 ? -16.10086 -13.89005 -31.36449 1.000 42.08964  ? 749 LYS A N    1 
ATOM   860  C CA   . LYS A 1 154 ? -14.77422 -14.49635 -31.28054 1.000 40.21968  ? 749 LYS A CA   1 
ATOM   861  C C    . LYS A 1 154 ? -14.58978 -15.37663 -30.04659 1.000 45.91250  ? 749 LYS A C    1 
ATOM   862  O O    . LYS A 1 154 ? -13.45087 -15.72468 -29.71549 1.000 45.34158  ? 749 LYS A O    1 
ATOM   863  C CB   . LYS A 1 154 ? -13.70030 -13.40187 -31.29058 1.000 39.42704  ? 749 LYS A CB   1 
ATOM   864  C CG   . LYS A 1 154 ? -13.61240 -12.60147 -32.58414 1.000 42.54638  ? 749 LYS A CG   1 
ATOM   865  C CD   . LYS A 1 154 ? -12.41194 -11.64600 -32.55617 1.000 50.98760  ? 749 LYS A CD   1 
ATOM   866  C CE   . LYS A 1 154 ? -12.15844 -11.00653 -33.91745 1.000 55.70144  ? 749 LYS A CE   1 
ATOM   867  N NZ   . LYS A 1 154 ? -12.38049 -11.94401 -35.07187 1.000 54.75402  ? 749 LYS A NZ   1 
ATOM   868  N N    . PHE A 1 155 ? -15.66847 -15.74163 -29.35342 1.000 41.06234  ? 750 PHE A N    1 
ATOM   869  C CA   . PHE A 1 155 ? -15.58773 -16.55936 -28.15185 1.000 40.91388  ? 750 PHE A CA   1 
ATOM   870  C C    . PHE A 1 155 ? -16.13599 -17.95119 -28.42871 1.000 47.91967  ? 750 PHE A C    1 
ATOM   871  O O    . PHE A 1 155 ? -17.22169 -18.09142 -28.99786 1.000 45.20399  ? 750 PHE A O    1 
ATOM   872  C CB   . PHE A 1 155 ? -16.36212 -15.91820 -27.00156 1.000 44.82101  ? 750 PHE A CB   1 
ATOM   873  C CG   . PHE A 1 155 ? -16.44308 -16.78344 -25.77772 1.000 52.19116  ? 750 PHE A CG   1 
ATOM   874  C CD1  . PHE A 1 155 ? -15.33133 -16.95021 -24.95842 1.000 58.62972  ? 750 PHE A CD1  1 
ATOM   875  C CD2  . PHE A 1 155 ? -17.60803 -17.44124 -25.45630 1.000 51.13199  ? 750 PHE A CD2  1 
ATOM   876  C CE1  . PHE A 1 155 ? -15.40239 -17.75060 -23.83055 1.000 58.29270  ? 750 PHE A CE1  1 
ATOM   877  C CE2  . PHE A 1 155 ? -17.68286 -18.23825 -24.33505 1.000 58.85752  ? 750 PHE A CE2  1 
ATOM   878  C CZ   . PHE A 1 155 ? -16.57857 -18.39450 -23.52326 1.000 57.04191  ? 750 PHE A CZ   1 
ATOM   879  N N    . LYS A 1 156 ? -15.39685 -18.97730 -28.01312 1.000 46.50135  ? 751 LYS A N    1 
ATOM   880  C CA   . LYS A 1 156 ? -15.85592 -20.36126 -28.11999 1.000 48.89295  ? 751 LYS A CA   1 
ATOM   881  C C    . LYS A 1 156 ? -15.81437 -21.02009 -26.74602 1.000 50.42365  ? 751 LYS A C    1 
ATOM   882  O O    . LYS A 1 156 ? -14.75273 -21.08552 -26.11760 1.000 43.56971  ? 751 LYS A O    1 
ATOM   883  C CB   . LYS A 1 156 ? -14.99617 -21.14627 -29.11806 1.000 40.93754  ? 751 LYS A CB   1 
ATOM   884  C CG   . LYS A 1 156 ? -15.19138 -20.71896 -30.56701 1.000 42.81175  ? 751 LYS A CG   1 
ATOM   885  C CD   . LYS A 1 156 ? -16.68287 -20.77676 -30.96022 1.000 46.84597  ? 751 LYS A CD   1 
ATOM   886  C CE   . LYS A 1 156 ? -16.87889 -21.60092 -32.18930 1.000 47.68057  ? 751 LYS A CE   1 
ATOM   887  N NZ   . LYS A 1 156 ? -18.32187 -21.79904 -32.56129 1.000 44.91381  ? 751 LYS A NZ   1 
ATOM   888  N N    . ALA A 1 157 ? -16.95640 -21.52266 -26.28649 1.000 43.31946  ? 752 ALA A N    1 
ATOM   889  C CA   . ALA A 1 157 ? -16.99321 -22.20344 -25.00109 1.000 49.99241  ? 752 ALA A CA   1 
ATOM   890  C C    . ALA A 1 157 ? -16.37533 -23.59369 -25.11209 1.000 51.73569  ? 752 ALA A C    1 
ATOM   891  O O    . ALA A 1 157 ? -16.55559 -24.29756 -26.11310 1.000 49.04890  ? 752 ALA A O    1 
ATOM   892  C CB   . ALA A 1 157 ? -18.43602 -22.30669 -24.48414 1.000 53.40460  ? 752 ALA A CB   1 
ATOM   893  N N    . THR A 1 158 ? -15.61030 -23.96941 -24.08567 1.000 49.74517  ? 753 THR A N    1 
ATOM   894  C CA   . THR A 1 158 ? -15.17266 -25.34230 -23.86177 1.000 57.39438  ? 753 THR A CA   1 
ATOM   895  C C    . THR A 1 158 ? -15.51595 -25.72495 -22.42819 1.000 62.85408  ? 753 THR A C    1 
ATOM   896  O O    . THR A 1 158 ? -15.60550 -24.86610 -21.54895 1.000 61.00444  ? 753 THR A O    1 
ATOM   897  C CB   . THR A 1 158 ? -13.66826 -25.52237 -24.07780 1.000 54.73677  ? 753 THR A CB   1 
ATOM   898  O OG1  . THR A 1 158 ? -12.96307 -24.68276 -23.15125 1.000 49.60658  ? 753 THR A OG1  1 
ATOM   899  C CG2  . THR A 1 158 ? -13.27819 -25.15796 -25.50970 1.000 48.88728  ? 753 THR A CG2  1 
ATOM   900  N N    . GLN A 1 159 ? -15.69646 -27.01953 -22.19662 1.000 73.46354  ? 754 GLN A N    1 
ATOM   901  C CA   . GLN A 1 159 ? -16.17687 -27.49633 -20.91023 1.000 74.39481  ? 754 GLN A CA   1 
ATOM   902  C C    . GLN A 1 159 ? -15.01579 -27.87753 -19.99428 1.000 73.58987  ? 754 GLN A C    1 
ATOM   903  O O    . GLN A 1 159 ? -13.90262 -28.17535 -20.43748 1.000 66.70011  ? 754 GLN A O    1 
ATOM   904  C CB   . GLN A 1 159 ? -17.11482 -28.69395 -21.08863 1.000 72.39065  ? 754 GLN A CB   1 
ATOM   905  C CG   . GLN A 1 159 ? -17.76183 -28.81338 -22.47654 1.000 78.34989  ? 754 GLN A CG   1 
ATOM   906  C CD   . GLN A 1 159 ? -18.71252 -27.66891 -22.80922 1.000 86.18288  ? 754 GLN A CD   1 
ATOM   907  O OE1  . GLN A 1 159 ? -19.39816 -27.13958 -21.93187 1.000 90.25006  ? 754 GLN A OE1  1 
ATOM   908  N NE2  . GLN A 1 159 ? -18.76127 -27.28757 -24.09071 1.000 79.17712  ? 754 GLN A NE2  1 
ATOM   909  N N    . ARG A 1 160 ? -15.29924 -27.86385 -18.69552 1.000 77.22950  ? 755 ARG A N    1 
ATOM   910  C CA   . ARG A 1 160 ? -14.38840 -28.36287 -17.67853 1.000 72.49045  ? 755 ARG A CA   1 
ATOM   911  C C    . ARG A 1 160 ? -14.74623 -29.79856 -17.31215 1.000 74.63452  ? 755 ARG A C    1 
ATOM   912  O O    . ARG A 1 160 ? -15.88971 -30.23553 -17.46727 1.000 73.81242  ? 755 ARG A O    1 
ATOM   913  C CB   . ARG A 1 160 ? -14.43192 -27.48928 -16.42450 1.000 75.07612  ? 755 ARG A CB   1 
ATOM   914  C CG   . ARG A 1 160 ? -13.27452 -26.52075 -16.29930 1.000 72.47117  ? 755 ARG A CG   1 
ATOM   915  C CD   . ARG A 1 160 ? -13.48954 -25.59153 -15.11545 1.000 78.21329  ? 755 ARG A CD   1 
ATOM   916  N NE   . ARG A 1 160 ? -12.28116 -24.85263 -14.77024 1.000 77.72000  ? 755 ARG A NE   1 
ATOM   917  C CZ   . ARG A 1 160 ? -11.56183 -25.06160 -13.67462 1.000 76.99118  ? 755 ARG A CZ   1 
ATOM   918  N NH1  . ARG A 1 160 ? -11.92440 -25.95752 -12.76904 1.000 77.90016  ? 755 ARG A NH1  1 
ATOM   919  N NH2  . ARG A 1 160 ? -10.45340 -24.35075 -13.48027 1.000 75.79877  ? 755 ARG A NH2  1 
ATOM   920  N N    . THR A 1 161 ? -13.74246 -30.53496 -16.84113 1.000 73.85054  ? 756 THR A N    1 
ATOM   921  C CA   . THR A 1 161 ? -13.92118 -31.86612 -16.27505 1.000 75.71518  ? 756 THR A CA   1 
ATOM   922  C C    . THR A 1 161 ? -13.48611 -31.82230 -14.81906 1.000 77.79923  ? 756 THR A C    1 
ATOM   923  O O    . THR A 1 161 ? -12.36717 -31.39226 -14.51581 1.000 76.73941  ? 756 THR A O    1 
ATOM   924  C CB   . THR A 1 161 ? -13.10852 -32.92163 -17.03162 1.000 68.46493  ? 756 THR A CB   1 
ATOM   925  O OG1  . THR A 1 161 ? -13.57902 -33.02223 -18.38474 1.000 67.71142  ? 756 THR A OG1  1 
ATOM   926  C CG2  . THR A 1 161 ? -13.22138 -34.28423 -16.33407 1.000 69.06147  ? 756 THR A CG2  1 
ATOM   927  N N    . GLU A 1 162 ? -14.35840 -32.26517 -13.92219 1.000 81.71906  ? 757 GLU A N    1 
ATOM   928  C CA   . GLU A 1 162 ? -14.08920 -32.16420 -12.49729 1.000 80.67327  ? 757 GLU A CA   1 
ATOM   929  C C    . GLU A 1 162 ? -13.75278 -33.53029 -11.91012 1.000 77.65176  ? 757 GLU A C    1 
ATOM   930  O O    . GLU A 1 162 ? -14.07791 -34.57678 -12.47876 1.000 75.82889  ? 757 GLU A O    1 
ATOM   931  C CB   . GLU A 1 162 ? -15.28570 -31.53986 -11.77327 1.000 89.49058  ? 757 GLU A CB   1 
ATOM   932  C CG   . GLU A 1 162 ? -15.55130 -30.10333 -12.21169 1.000 88.63340  ? 757 GLU A CG   1 
ATOM   933  C CD   . GLU A 1 162 ? -14.50617 -29.14097 -11.68128 1.000 90.39720  ? 757 GLU A CD   1 
ATOM   934  O OE1  . GLU A 1 162 ? -14.00219 -29.38370 -10.56129 1.000 92.49938  ? 757 GLU A OE1  1 
ATOM   935  O OE2  . GLU A 1 162 ? -14.18807 -28.15047 -12.37756 1.000 83.78387  ? 757 GLU A OE2  1 
ATOM   936  N N    . GLY A 1 163 ? -13.07079 -33.50375 -10.76537 1.000 75.42368  ? 758 GLY A N    1 
ATOM   937  C CA   . GLY A 1 163 ? -12.73489 -34.72847 -10.06327 1.000 77.20791  ? 758 GLY A CA   1 
ATOM   938  C C    . GLY A 1 163 ? -11.65811 -35.57638 -10.70668 1.000 76.20891  ? 758 GLY A C    1 
ATOM   939  O O    . GLY A 1 163 ? -11.56713 -36.77332 -10.41542 1.000 74.77502  ? 758 GLY A O    1 
ATOM   940  N N    . VAL A 1 164 ? -10.83660 -34.99080 -11.57736 1.000 75.07503  ? 759 VAL A N    1 
ATOM   941  C CA   . VAL A 1 164 ? -9.74330  -35.68470 -12.24145 1.000 71.87050  ? 759 VAL A CA   1 
ATOM   942  C C    . VAL A 1 164 ? -8.38801  -35.11167 -11.85079 1.000 71.31196  ? 759 VAL A C    1 
ATOM   943  O O    . VAL A 1 164 ? -7.37258  -35.47117 -12.45031 1.000 69.26449  ? 759 VAL A O    1 
ATOM   944  C CB   . VAL A 1 164 ? -9.91603  -35.65390 -13.77400 1.000 65.73915  ? 759 VAL A CB   1 
ATOM   945  C CG1  . VAL A 1 164 ? -11.02588 -36.59446 -14.20984 1.000 72.44036  ? 759 VAL A CG1  1 
ATOM   946  C CG2  . VAL A 1 164 ? -10.21487 -34.23954 -14.23024 1.000 64.47017  ? 759 VAL A CG2  1 
ATOM   947  N N    . SER A 1 165 ? -8.34787  -34.22481 -10.86094 1.000 71.43394  ? 760 SER A N    1 
ATOM   948  C CA   . SER A 1 165 ? -7.14748  -33.43654 -10.63697 1.000 73.56946  ? 760 SER A CA   1 
ATOM   949  C C    . SER A 1 165 ? -6.12913  -34.19915 -9.79525  1.000 77.12381  ? 760 SER A C    1 
ATOM   950  O O    . SER A 1 165 ? -6.44051  -35.18004 -9.11252  1.000 76.13371  ? 760 SER A O    1 
ATOM   951  C CB   . SER A 1 165 ? -7.48382  -32.10662 -9.96246  1.000 70.88169  ? 760 SER A CB   1 
ATOM   952  O OG   . SER A 1 165 ? -7.66347  -32.27593 -8.57016  1.000 77.44172  ? 760 SER A OG   1 
ATOM   953  N N    . THR A 1 166 ? -4.88719  -33.71776 -9.85761  1.000 79.63235  ? 761 THR A N    1 
ATOM   954  C CA   . THR A 1 166 ? -3.80580  -34.32116 -9.08898  1.000 81.34794  ? 761 THR A CA   1 
ATOM   955  C C    . THR A 1 166 ? -4.12738  -34.32863 -7.60092  1.000 79.97262  ? 761 THR A C    1 
ATOM   956  O O    . THR A 1 166 ? -3.83150  -35.30089 -6.89691  1.000 79.74942  ? 761 THR A O    1 
ATOM   957  C CB   . THR A 1 166 ? -2.50552  -33.56651 -9.36859  1.000 82.84604  ? 761 THR A CB   1 
ATOM   958  O OG1  . THR A 1 166 ? -2.53959  -33.05216 -10.71053 1.000 78.51989  ? 761 THR A OG1  1 
ATOM   959  C CG2  . THR A 1 166 ? -1.31566  -34.49337 -9.23299  1.000 80.97288  ? 761 THR A CG2  1 
ATOM   960  N N    . THR A 1 167 ? -4.73868  -33.25342 -7.10418  1.000 79.76681  ? 762 THR A N    1 
ATOM   961  C CA   . THR A 1 167 ? -5.19670  -33.23062 -5.71967  1.000 80.46906  ? 762 THR A CA   1 
ATOM   962  C C    . THR A 1 167 ? -6.09964  -34.42100 -5.42791  1.000 81.66688  ? 762 THR A C    1 
ATOM   963  O O    . THR A 1 167 ? -5.91633  -35.13599 -4.43686  1.000 82.17842  ? 762 THR A O    1 
ATOM   964  C CB   . THR A 1 167 ? -5.94170  -31.92395 -5.44291  1.000 81.09871  ? 762 THR A CB   1 
ATOM   965  O OG1  . THR A 1 167 ? -5.09092  -30.80832 -5.74104  1.000 81.61190  ? 762 THR A OG1  1 
ATOM   966  C CG2  . THR A 1 167 ? -6.39752  -31.85979 -3.98557  1.000 80.91439  ? 762 THR A CG2  1 
ATOM   967  N N    . ASP A 1 168 ? -7.08789  -34.64667 -6.29491  1.000 77.95292  ? 763 ASP A N    1 
ATOM   968  C CA   . ASP A 1 168 ? -8.04660  -35.72179 -6.07069  1.000 78.84180  ? 763 ASP A CA   1 
ATOM   969  C C    . ASP A 1 168 ? -7.36169  -37.08040 -5.98767  1.000 79.53685  ? 763 ASP A C    1 
ATOM   970  O O    . ASP A 1 168 ? -7.86223  -37.98597 -5.31074  1.000 77.91178  ? 763 ASP A O    1 
ATOM   971  C CB   . ASP A 1 168 ? -9.09714  -35.70732 -7.18411  1.000 77.74125  ? 763 ASP A CB   1 
ATOM   972  C CG   . ASP A 1 168 ? -9.68907  -34.32231 -7.40735  1.000 74.01419  ? 763 ASP A CG   1 
ATOM   973  O OD1  . ASP A 1 168 ? -9.84276  -33.57769 -6.41802  1.000 83.30029  ? 763 ASP A OD1  1 
ATOM   974  O OD2  . ASP A 1 168 ? -9.99473  -33.96888 -8.56606  1.000 74.60677  ? 763 ASP A OD2  1 
ATOM   975  N N    . LEU A 1 169 ? -6.21275  -37.23823 -6.65306  1.000 79.91495  ? 764 LEU A N    1 
ATOM   976  C CA   . LEU A 1 169 ? -5.55429  -38.54143 -6.70606  1.000 79.53617  ? 764 LEU A CA   1 
ATOM   977  C C    . LEU A 1 169 ? -4.90660  -38.89725 -5.37237  1.000 79.19896  ? 764 LEU A C    1 
ATOM   978  O O    . LEU A 1 169 ? -5.11034  -39.99749 -4.84613  1.000 78.91371  ? 764 LEU A O    1 
ATOM   979  C CB   . LEU A 1 169 ? -4.51850  -38.55914 -7.83078  1.000 79.13023  ? 764 LEU A CB   1 
ATOM   980  N N    . ILE A 1 170 ? -4.11504  -37.98194 -4.81200  1.000 79.03768  ? 765 ILE A N    1 
ATOM   981  C CA   . ILE A 1 170 ? -3.45340  -38.26620 -3.54425  1.000 79.35465  ? 765 ILE A CA   1 
ATOM   982  C C    . ILE A 1 170 ? -4.47681  -38.50148 -2.44083  1.000 84.79983  ? 765 ILE A C    1 
ATOM   983  O O    . ILE A 1 170 ? -4.23719  -39.28952 -1.51685  1.000 81.88792  ? 765 ILE A O    1 
ATOM   984  C CB   . ILE A 1 170 ? -2.47721  -37.12742 -3.19499  1.000 78.65445  ? 765 ILE A CB   1 
ATOM   985  C CG1  . ILE A 1 170 ? -2.38401  -36.94433 -1.68248  1.000 81.33367  ? 765 ILE A CG1  1 
ATOM   986  C CG2  . ILE A 1 170 ? -2.88479  -35.84163 -3.89171  1.000 82.74091  ? 765 ILE A CG2  1 
ATOM   987  C CD1  . ILE A 1 170 ? -1.60468  -38.03989 -0.98321  1.000 86.94630  ? 765 ILE A CD1  1 
ATOM   988  N N    . VAL A 1 171 ? -5.62990  -37.83265 -2.51164  1.000 80.77757  ? 766 VAL A N    1 
ATOM   989  C CA   . VAL A 1 171 ? -6.71732  -38.14886 -1.58917  1.000 83.81424  ? 766 VAL A CA   1 
ATOM   990  C C    . VAL A 1 171 ? -7.04774  -39.63330 -1.66929  1.000 85.87091  ? 766 VAL A C    1 
ATOM   991  O O    . VAL A 1 171 ? -7.21679  -40.31151 -0.64897  1.000 84.40072  ? 766 VAL A O    1 
ATOM   992  C CB   . VAL A 1 171 ? -7.95620  -37.28631 -1.89069  1.000 83.18157  ? 766 VAL A CB   1 
ATOM   993  C CG1  . VAL A 1 171 ? -9.07867  -37.64119 -0.93633  1.000 83.03752  ? 766 VAL A CG1  1 
ATOM   994  C CG2  . VAL A 1 171 ? -7.61901  -35.80534 -1.80845  1.000 81.76216  ? 766 VAL A CG2  1 
ATOM   995  N N    . ARG A 1 172 ? -7.14018  -40.15880 -2.89412  1.000 84.70397  ? 767 ARG A N    1 
ATOM   996  C CA   . ARG A 1 172 ? -7.40070  -41.58255 -3.06826  1.000 83.59472  ? 767 ARG A CA   1 
ATOM   997  C C    . ARG A 1 172 ? -6.26898  -42.42731 -2.49917  1.000 85.14492  ? 767 ARG A C    1 
ATOM   998  O O    . ARG A 1 172 ? -6.51228  -43.52127 -1.97452  1.000 89.17366  ? 767 ARG A O    1 
ATOM   999  C CB   . ARG A 1 172 ? -7.61880  -41.89862 -4.55036  1.000 76.80429  ? 767 ARG A CB   1 
ATOM   1000 N N    . ILE A 1 173 ? -5.03194  -41.93248 -2.57272  1.000 86.85106  ? 768 ILE A N    1 
ATOM   1001 C CA   . ILE A 1 173 ? -3.89935  -42.68046 -2.03617  1.000 82.26326  ? 768 ILE A CA   1 
ATOM   1002 C C    . ILE A 1 173 ? -3.96940  -42.75351 -0.51635  1.000 91.91724  ? 768 ILE A C    1 
ATOM   1003 O O    . ILE A 1 173 ? -3.70495  -43.80366 0.08323   1.000 92.01505  ? 768 ILE A O    1 
ATOM   1004 C CB   . ILE A 1 173 ? -2.57429  -42.04991 -2.49449  1.000 84.39040  ? 768 ILE A CB   1 
ATOM   1005 C CG1  . ILE A 1 173 ? -2.40777  -42.16969 -4.01193  1.000 81.31438  ? 768 ILE A CG1  1 
ATOM   1006 C CG2  . ILE A 1 173 ? -1.40453  -42.69299 -1.75850  1.000 86.07348  ? 768 ILE A CG2  1 
ATOM   1007 C CD1  . ILE A 1 173 ? -1.02928  -41.77423 -4.49699  1.000 79.69626  ? 768 ILE A CD1  1 
ATOM   1008 N N    . LEU A 1 174 ? -4.29959  -41.63857 0.13316   1.000 85.34058  ? 769 LEU A N    1 
ATOM   1009 C CA   . LEU A 1 174 ? -4.28592  -41.61213 1.58947   1.000 90.42019  ? 769 LEU A CA   1 
ATOM   1010 C C    . LEU A 1 174 ? -5.53302  -42.24818 2.18228   1.000 91.37956  ? 769 LEU A C    1 
ATOM   1011 O O    . LEU A 1 174 ? -5.46775  -42.82688 3.27224   1.000 95.95509  ? 769 LEU A O    1 
ATOM   1012 C CB   . LEU A 1 174 ? -4.12657  -40.17518 2.07892   1.000 86.51690  ? 769 LEU A CB   1 
ATOM   1013 C CG   . LEU A 1 174 ? -2.83834  -39.53860 1.56232   1.000 85.37877  ? 769 LEU A CG   1 
ATOM   1014 C CD1  . LEU A 1 174 ? -2.69645  -38.11881 2.07132   1.000 84.27701  ? 769 LEU A CD1  1 
ATOM   1015 C CD2  . LEU A 1 174 ? -1.63470  -40.38864 1.95996   1.000 80.80174  ? 769 LEU A CD2  1 
ATOM   1016 N N    . LYS A 1 175 ? -6.65899  -42.17933 1.47301   1.000 95.98500  ? 770 LYS A N    1 
ATOM   1017 C CA   . LYS A 1 175 ? -7.90305  -42.78719 1.92763   1.000 99.04548  ? 770 LYS A CA   1 
ATOM   1018 C C    . LYS A 1 175 ? -7.78221  -44.30492 2.03540   1.000 103.28599 ? 770 LYS A C    1 
ATOM   1019 O O    . LYS A 1 175 ? -8.76819  -44.98783 2.33365   1.000 108.39197 ? 770 LYS A O    1 
ATOM   1020 C CB   . LYS A 1 175 ? -9.05118  -42.41222 0.98828   1.000 99.57661  ? 770 LYS A CB   1 
ATOM   1021 N N    . ASN A 1 176 ? -6.58463  -44.84371 1.78804   1.000 98.70901  ? 771 ASN A N    1 
ATOM   1022 C CA   . ASN A 1 176 ? -6.28268  -46.25341 2.01348   1.000 101.27494 ? 771 ASN A CA   1 
ATOM   1023 C C    . ASN A 1 176 ? -5.41601  -46.45910 3.25181   1.000 102.39159 ? 771 ASN A C    1 
ATOM   1024 O O    . ASN A 1 176 ? -4.67160  -47.44221 3.33975   1.000 104.00122 ? 771 ASN A O    1 
ATOM   1025 C CB   . ASN A 1 176 ? -5.60947  -46.86412 0.78292   1.000 100.17319 ? 771 ASN A CB   1 
ATOM   1026 N N    . TYR A 1 177 ? -5.49861  -45.54319 4.21042   1.000 100.99933 ? 772 TYR A N    1 
ATOM   1027 C CA   . TYR A 1 177 ? -4.69219  -45.61563 5.42257   1.000 101.97466 ? 772 TYR A CA   1 
ATOM   1028 C C    . TYR A 1 177 ? -5.52489  -45.30267 6.66770   1.000 100.60598 ? 772 TYR A C    1 
ATOM   1029 O O    . TYR A 1 177 ? -5.47214  -44.19786 7.21043   1.000 96.84330  ? 772 TYR A O    1 
ATOM   1030 C CB   . TYR A 1 177 ? -3.50206  -44.66000 5.32146   1.000 99.46354  ? 772 TYR A CB   1 
ATOM   1031 C CG   . TYR A 1 177 ? -2.41557  -45.12973 4.37871   1.000 95.42099  ? 772 TYR A CG   1 
ATOM   1032 C CD1  . TYR A 1 177 ? -2.49559  -44.88860 3.01175   1.000 97.32675  ? 772 TYR A CD1  1 
ATOM   1033 C CD2  . TYR A 1 177 ? -1.30504  -45.80825 4.85888   1.000 94.69568  ? 772 TYR A CD2  1 
ATOM   1034 C CE1  . TYR A 1 177 ? -1.49732  -45.31743 2.14908   1.000 96.62320  ? 772 TYR A CE1  1 
ATOM   1035 C CE2  . TYR A 1 177 ? -0.30445  -46.24016 4.00755   1.000 94.51697  ? 772 TYR A CE2  1 
ATOM   1036 C CZ   . TYR A 1 177 ? -0.40337  -45.99229 2.65514   1.000 95.81501  ? 772 TYR A CZ   1 
ATOM   1037 O OH   . TYR A 1 177 ? 0.59359   -46.42287 1.80685   1.000 96.95033  ? 772 TYR A OH   1 
HETATM 1038 N N1   . 4AP B 2 .   ? 4.21544   -17.69613 -31.16359 1.000 46.49239  ? 801 4AP A N1   1 
HETATM 1039 C C2   . 4AP B 2 .   ? 3.34271   -18.70658 -31.24974 1.000 45.90225  ? 801 4AP A C2   1 
HETATM 1040 C C3   . 4AP B 2 .   ? 2.55389   -18.92091 -32.42953 1.000 48.91666  ? 801 4AP A C3   1 
HETATM 1041 C C4   . 4AP B 2 .   ? 2.73604   -18.05585 -33.47442 1.000 51.37551  ? 801 4AP A C4   1 
HETATM 1042 C C5   . 4AP B 2 .   ? 3.62726   -17.02169 -33.42330 1.000 47.27331  ? 801 4AP A C5   1 
HETATM 1043 C C6   . 4AP B 2 .   ? 4.36211   -16.86680 -32.21962 1.000 50.46159  ? 801 4AP A C6   1 
HETATM 1044 N N4   . 4AP B 2 .   ? 1.95611   -18.25585 -34.67607 1.000 55.20109  ? 801 4AP A N4   1 
HETATM 1045 N N1   . 4AP C 2 .   ? -6.57495  -18.09135 -16.51429 1.000 54.11648  ? 802 4AP A N1   1 
HETATM 1046 C C2   . 4AP C 2 .   ? -5.75950  -17.16436 -15.98455 1.000 54.13373  ? 802 4AP A C2   1 
HETATM 1047 C C3   . 4AP C 2 .   ? -5.20362  -16.10654 -16.77110 1.000 57.03142  ? 802 4AP A C3   1 
HETATM 1048 C C4   . 4AP C 2 .   ? -5.55557  -16.07168 -18.09045 1.000 55.99912  ? 802 4AP A C4   1 
HETATM 1049 C C5   . 4AP C 2 .   ? -6.39087  -16.99023 -18.64933 1.000 54.65281  ? 802 4AP A C5   1 
HETATM 1050 C C6   . 4AP C 2 .   ? -6.90027  -18.01758 -17.80751 1.000 51.74226  ? 802 4AP A C6   1 
HETATM 1051 N N4   . 4AP C 2 .   ? -5.01591  -15.02249 -18.91570 1.000 60.05762  ? 802 4AP A N4   1 
HETATM 1052 N N1   . 4AP D 2 .   ? -10.78445 -29.22542 -15.63379 1.000 64.22848  ? 803 4AP A N1   1 
HETATM 1053 C C2   . 4AP D 2 .   ? -10.34701 -28.55203 -16.71319 1.000 63.89223  ? 803 4AP A C2   1 
HETATM 1054 C C3   . 4AP D 2 .   ? -9.39701  -27.48909 -16.60501 1.000 62.70565  ? 803 4AP A C3   1 
HETATM 1055 C C4   . 4AP D 2 .   ? -8.95207  -27.18022 -15.34060 1.000 65.19477  ? 803 4AP A C4   1 
HETATM 1056 C C5   . 4AP D 2 .   ? -9.38558  -27.84562 -14.21982 1.000 64.99557  ? 803 4AP A C5   1 
HETATM 1057 C C6   . 4AP D 2 .   ? -10.32789 -28.89344 -14.41042 1.000 65.17295  ? 803 4AP A C6   1 
HETATM 1058 N N4   . 4AP D 2 .   ? -8.00553  -26.11004 -15.19304 1.000 63.13021  ? 803 4AP A N4   1 
HETATM 1059 N N1   . 4AP E 2 .   ? -15.45445 -21.45217 -41.05667 1.000 58.17807  ? 804 4AP A N1   1 
HETATM 1060 C C2   . 4AP E 2 .   ? -15.18083 -21.34776 -39.74069 1.000 57.91993  ? 804 4AP A C2   1 
HETATM 1061 C C3   . 4AP E 2 .   ? -14.81608 -20.10205 -39.13760 1.000 53.67228  ? 804 4AP A C3   1 
HETATM 1062 C C4   . 4AP E 2 .   ? -14.74724 -19.00550 -39.96469 1.000 56.90732  ? 804 4AP A C4   1 
HETATM 1063 C C5   . 4AP E 2 .   ? -15.02568 -19.08668 -41.30970 1.000 64.19794  ? 804 4AP A C5   1 
HETATM 1064 C C6   . 4AP E 2 .   ? -15.38374 -20.36371 -41.83154 1.000 62.06425  ? 804 4AP A C6   1 
HETATM 1065 N N4   . 4AP E 2 .   ? -14.39264 -17.72298 -39.39039 1.000 59.73330  ? 804 4AP A N4   1 
HETATM 1066 H H2   . 4AP E 2 .   ? -15.24550 -22.23539 -39.15393 1.000 69.50392  ? 804 4AP A H2   1 
HETATM 1067 H H3   . 4AP E 2 .   ? -14.62816 -20.15125 -38.07216 1.000 64.40674  ? 804 4AP A H3   1 
HETATM 1068 H H5   . 4AP E 2 .   ? -15.00809 -18.28365 -42.04654 1.000 77.03753  ? 804 4AP A H5   1 
HETATM 1069 H H6   . 4AP E 2 .   ? -15.60950 -20.49042 -42.87284 1.000 74.47710  ? 804 4AP A H6   1 
HETATM 1070 H HN41 . 4AP E 2 .   ? -13.97592 -17.65772 -38.51066 1.000 71.67996  ? 804 4AP A HN41 1 
HETATM 1071 H HN42 . 4AP E 2 .   ? -14.58472 -16.90918 -39.92124 1.000 71.67996  ? 804 4AP A HN42 1 
HETATM 1072 O O    . HOH F 3 .   ? -8.61063  -20.54813 -17.13225 1.000 44.00582  ? 901 HOH A O    1 
HETATM 1073 O O    . HOH F 3 .   ? 3.09005   -23.97769 -36.49108 1.000 53.80699  ? 902 HOH A O    1 
HETATM 1074 O O    . HOH F 3 .   ? 2.03925   -29.76936 -15.84754 1.000 47.99713  ? 903 HOH A O    1 
HETATM 1075 O O    . HOH F 3 .   ? -19.829   -21.145   -30.693   1.000 44.23222  ? 904 HOH A O    1 
HETATM 1076 O O    . HOH F 3 .   ? 10.38073  -32.45739 -22.75703 1.000 48.90097  ? 905 HOH A O    1 
HETATM 1077 O O    . HOH F 3 .   ? 11.69888  -24.59161 -13.73766 1.000 50.28389  ? 906 HOH A O    1 
HETATM 1078 O O    . HOH F 3 .   ? 0.43789   -9.60308  -19.06713 1.000 53.82647  ? 907 HOH A O    1 
HETATM 1079 O O    . HOH F 3 .   ? -6.52280  -36.80013 -14.50578 1.000 54.94040  ? 908 HOH A O    1 
HETATM 1080 O O    . HOH F 3 .   ? 0.61084   -14.04905 -17.81829 1.000 45.96197  ? 909 HOH A O    1 
HETATM 1081 O O    . HOH F 3 .   ? -7.94437  -14.52344 -21.00746 1.000 59.70405  ? 910 HOH A O    1 
HETATM 1082 O O    . HOH F 3 .   ? -13.19664 -14.51788 -35.76253 1.000 49.34091  ? 911 HOH A O    1 
HETATM 1083 O O    . HOH F 3 .   ? 0.01682   -7.79395  -15.40193 1.000 63.96436  ? 912 HOH A O    1 
HETATM 1084 O O    . HOH F 3 .   ? -10.66500 -10.48866 -21.92788 1.000 64.83535  ? 913 HOH A O    1 
HETATM 1085 O O    . HOH F 3 .   ? 1.32196   -27.94177 -17.92111 1.000 38.00899  ? 914 HOH A O    1 
HETATM 1086 O O    . HOH F 3 .   ? -2.03823  -5.97712  -33.25964 1.000 58.97981  ? 915 HOH A O    1 
HETATM 1087 O O    . HOH F 3 .   ? -3.61725  -14.53955 -22.74076 1.000 49.66038  ? 916 HOH A O    1 
HETATM 1088 O O    . HOH F 3 .   ? -6.51712  -16.88320 -38.64710 1.000 51.54517  ? 917 HOH A O    1 
HETATM 1089 O O    . HOH F 3 .   ? -19.392   -18.434   -30.503   1.000 38.70818  ? 918 HOH A O    1 
HETATM 1090 O O    . HOH F 3 .   ? -9.94893  -22.71268 -17.19288 1.000 61.83600  ? 919 HOH A O    1 
HETATM 1091 O O    . HOH F 3 .   ? -18.07324 -24.15575 -28.31473 1.000 51.45638  ? 920 HOH A O    1 
HETATM 1092 O O    . HOH F 3 .   ? -2.65925  -31.33775 -33.05207 1.000 44.48305  ? 921 HOH A O    1 
HETATM 1093 O O    . HOH F 3 .   ? -12.21442 -30.90852 -19.54215 1.000 54.01393  ? 922 HOH A O    1 
HETATM 1094 O O    . HOH F 3 .   ? -3.32837  -7.35044  -21.67740 1.000 63.82811  ? 923 HOH A O    1 
HETATM 1095 O O    . HOH F 3 .   ? -23.09637 -15.25117 -21.82653 1.000 59.72842  ? 924 HOH A O    1 
HETATM 1096 O O    . HOH F 3 .   ? -15.02249 -29.24014 -29.66596 1.000 41.91771  ? 925 HOH A O    1 
HETATM 1097 O O    . HOH F 3 .   ? -8.46775  -21.50713 -22.15314 1.000 53.07326  ? 926 HOH A O    1 
HETATM 1098 O O    . HOH F 3 .   ? -12.45804 -33.61000 -25.14547 1.000 46.86813  ? 927 HOH A O    1 
HETATM 1099 O O    . HOH F 3 .   ? 11.690    -33.124   -25.103   1.000 57.80363  ? 928 HOH A O    1 
HETATM 1100 O O    . HOH F 3 .   ? -15.36389 -27.04007 -39.47066 1.000 52.80396  ? 929 HOH A O    1 
HETATM 1101 O O    . HOH F 3 .   ? -9.29937  -38.03119 -32.16246 1.000 60.12249  ? 930 HOH A O    1 
HETATM 1102 O O    . HOH F 3 .   ? -18.79797 -19.91286 -34.50023 1.000 40.16771  ? 931 HOH A O    1 
HETATM 1103 O O    . HOH F 3 .   ? -3.18894  -9.74515  -24.82806 1.000 49.19899  ? 932 HOH A O    1 
HETATM 1104 O O    . HOH F 3 .   ? -15.96842 -14.50986 -35.55089 1.000 44.98403  ? 933 HOH A O    1 
HETATM 1105 O O    . HOH F 3 .   ? -1.46143  -17.44238 -36.57421 1.000 51.03234  ? 934 HOH A O    1 
HETATM 1106 O O    . HOH F 3 .   ? -4.03688  -20.49649 -40.24458 1.000 53.97619  ? 935 HOH A O    1 
HETATM 1107 O O    . HOH F 3 .   ? 10.58226  -28.73096 -17.09041 1.000 51.64017  ? 936 HOH A O    1 
HETATM 1108 O O    . HOH F 3 .   ? -10.21384 -24.28435 -23.74171 1.000 48.81784  ? 937 HOH A O    1 
HETATM 1109 O O    . HOH F 3 .   ? 8.664     -20.273   -21.492   1.000 49.27980  ? 938 HOH A O    1 
HETATM 1110 O O    . HOH F 3 .   ? -0.90839  -19.91026 -36.21187 1.000 55.30079  ? 939 HOH A O    1 
HETATM 1111 O O    . HOH F 3 .   ? -14.96545 -33.05630 -22.64828 1.000 59.92063  ? 940 HOH A O    1 
HETATM 1112 O O    . HOH F 3 .   ? 9.61424   -25.33828 -21.17857 1.000 39.32018  ? 941 HOH A O    1 
HETATM 1113 O O    . HOH F 3 .   ? 6.33525   -17.86508 -26.57392 1.000 39.67015  ? 942 HOH A O    1 
HETATM 1114 O O    . HOH F 3 .   ? -12.11445 -25.75500 -40.61411 1.000 49.84573  ? 943 HOH A O    1 
HETATM 1115 O O    . HOH F 3 .   ? -9.66978  -30.00491 -35.68872 1.000 39.81871  ? 944 HOH A O    1 
HETATM 1116 O O    . HOH F 3 .   ? -15.59480 -8.29402  -21.46806 1.000 63.78093  ? 945 HOH A O    1 
HETATM 1117 O O    . HOH F 3 .   ? -18.49819 -15.37161 -29.77459 1.000 41.85774  ? 946 HOH A O    1 
HETATM 1118 O O    . HOH F 3 .   ? -10.24759 -32.20374 -12.16379 1.000 64.77110  ? 947 HOH A O    1 
HETATM 1119 O O    . HOH F 3 .   ? 7.18701   -16.60241 -15.41275 1.000 51.28673  ? 948 HOH A O    1 
HETATM 1120 O O    . HOH F 3 .   ? -17.68254 -24.63312 -32.94161 1.000 53.75591  ? 949 HOH A O    1 
HETATM 1121 O O    . HOH F 3 .   ? 2.54660   -12.26163 -26.43925 1.000 53.74529  ? 950 HOH A O    1 
HETATM 1122 O O    . HOH F 3 .   ? -8.41245  -44.26529 6.89631   1.000 92.63607  ? 951 HOH A O    1 
HETATM 1123 O O    . HOH F 3 .   ? -7.78970  -24.80640 -22.60959 1.000 50.15476  ? 952 HOH A O    1 
HETATM 1124 O O    . HOH F 3 .   ? -5.44140  -23.52551 -16.48957 1.000 51.48055  ? 953 HOH A O    1 
HETATM 1125 O O    . HOH F 3 .   ? -19.40327 -21.81923 -28.08004 1.000 46.35179  ? 954 HOH A O    1 
HETATM 1126 O O    . HOH F 3 .   ? 6.92591   -14.00720 -14.17257 1.000 59.54663  ? 955 HOH A O    1 
HETATM 1127 O O    . HOH F 3 .   ? -7.78518  -24.63889 -11.87494 1.000 65.20717  ? 956 HOH A O    1 
HETATM 1128 O O    . HOH F 3 .   ? -12.54604 -14.99411 -38.19257 1.000 55.37844  ? 957 HOH A O    1 
HETATM 1129 O O    . HOH F 3 .   ? 3.43843   -12.23771 -19.41641 1.000 55.37771  ? 958 HOH A O    1 
HETATM 1130 O O    . HOH F 3 .   ? -7.16910  -29.78513 -37.25400 1.000 41.52953  ? 959 HOH A O    1 
HETATM 1131 O O    . HOH F 3 .   ? -2.08179  -8.44164  -19.49143 1.000 56.14736  ? 960 HOH A O    1 
HETATM 1132 O O    . HOH F 3 .   ? -16.23355 -6.18781  -29.43023 1.000 54.51087  ? 961 HOH A O    1 
HETATM 1133 O O    . HOH F 3 .   ? -4.34830  -24.83494 -13.72878 1.000 53.37791  ? 962 HOH A O    1 
HETATM 1134 O O    . HOH F 3 .   ? -1.53058  -21.03166 -38.31277 1.000 54.64769  ? 963 HOH A O    1 
HETATM 1135 O O    . HOH F 3 .   ? -3.28175  -12.85946 -24.73151 1.000 50.04410  ? 964 HOH A O    1 
HETATM 1136 O O    . HOH F 3 .   ? -13.48961 -33.43579 -28.37664 1.000 52.34614  ? 965 HOH A O    1 
HETATM 1137 O O    . HOH F 3 .   ? -0.95717  -8.29992  -25.34452 1.000 49.37919  ? 966 HOH A O    1 
HETATM 1138 O O    . HOH F 3 .   ? -18.48721 -25.13026 -30.83910 1.000 48.27212  ? 967 HOH A O    1 
HETATM 1139 O O    . HOH F 3 .   ? -6.87716  -24.02864 -18.26671 1.000 51.32079  ? 968 HOH A O    1 
HETATM 1140 O O    . HOH F 3 .   ? 1.59207   -33.28211 -13.02877 1.000 65.08947  ? 969 HOH A O    1 
HETATM 1141 O O    . HOH F 3 .   ? -9.12320  -32.31709 -35.26206 1.000 50.43818  ? 970 HOH A O    1 
HETATM 1142 O O    . HOH F 3 .   ? -15.27579 -31.63130 -29.33719 1.000 52.27401  ? 971 HOH A O    1 
HETATM 1143 O O    . HOH F 3 .   ? 12.64143  -26.79215 -15.66824 1.000 58.03808  ? 972 HOH A O    1 
HETATM 1144 O O    . HOH F 3 .   ? -2.26137  -17.66592 -39.31066 1.000 56.83708  ? 973 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  ? 1.03693 1.25090 0.77378 0.02468  -0.10748 0.04419  616 LYS A N   
2    C CA  . LYS A 39  ? 0.91973 1.11868 0.69455 0.02296  -0.12066 0.01547  616 LYS A CA  
3    C C   . LYS A 39  ? 0.79477 0.97591 0.61712 0.02429  -0.09587 0.00488  616 LYS A C   
4    O O   . LYS A 39  ? 0.80251 0.97223 0.66556 0.02179  -0.10217 -0.01054 616 LYS A O   
5    C CB  . LYS A 39  ? 0.93160 1.12933 0.65999 0.02240  -0.13312 -0.02219 616 LYS A CB  
6    C CG  . LYS A 39  ? 0.99247 1.18447 0.74980 0.01539  -0.16573 -0.03833 616 LYS A CG  
7    C CD  . LYS A 39  ? 1.00316 1.18601 0.71656 0.01368  -0.17881 -0.07978 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.08857 1.28741 0.71696 0.01840  -0.18029 -0.08328 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.15077 1.33720 0.73159 0.01892  -0.19304 -0.13023 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.72139 0.90289 0.53950 0.02689  -0.06858 0.01530  617 ASN A N   
11   C CA  . ASN A 40  ? 0.70152 0.86847 0.55584 0.02780  -0.04721 0.00370  617 ASN A CA  
12   C C   . ASN A 40  ? 0.65705 0.81491 0.56439 0.02584  -0.04516 0.02408  617 ASN A C   
13   O O   . ASN A 40  ? 0.67806 0.83863 0.59009 0.02504  -0.03968 0.05113  617 ASN A O   
14   C CB  . ASN A 40  ? 0.70531 0.88007 0.53568 0.03127  -0.02041 0.00216  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.63580 0.79695 0.49747 0.03293  -0.00449 -0.01595 617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.68901 0.83986 0.54835 0.03577  -0.00759 -0.04360 617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.61304 0.77203 0.50547 0.03028  0.00959  0.00019  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.56512 0.71143 0.51216 0.02494  -0.04798 0.01036  618 VAL A N   
19   C CA  . VAL A 41  ? 0.52604 0.66418 0.52142 0.02544  -0.04526 0.02208  618 VAL A CA  
20   C C   . VAL A 41  ? 0.46243 0.58882 0.47174 0.02462  -0.02333 0.01426  618 VAL A C   
21   O O   . VAL A 41  ? 0.44779 0.56976 0.45573 0.02350  -0.01672 -0.00560 618 VAL A O   
22   C CB  . VAL A 41  ? 0.43138 0.57170 0.46184 0.02499  -0.05957 0.01346  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.43538 0.56966 0.51328 0.02861  -0.05164 0.02044  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.51402 0.66921 0.53544 0.02473  -0.08647 0.02250  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.42809 0.54750 0.45435 0.02448  -0.01515 0.03038  619 VAL A N   
26   C CA  . VAL A 42  ? 0.44176 0.55082 0.48157 0.02209  0.00129  0.02356  619 VAL A CA  
27   C C   . VAL A 42  ? 0.41730 0.51562 0.49111 0.02370  0.00213  0.01327  619 VAL A C   
28   O O   . VAL A 42  ? 0.40050 0.49280 0.49971 0.02753  -0.00313 0.02185  619 VAL A O   
29   C CB  . VAL A 42  ? 0.41456 0.52034 0.45684 0.01840  0.00813  0.04423  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.39201 0.48911 0.44909 0.01401  0.02090  0.03534  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.53231 0.65642 0.53851 0.01688  0.01132  0.05709  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.40611 0.50258 0.48051 0.02175  0.00987  -0.00417 620 ILE A N   
33   C CA  . ILE A 43  ? 0.38109 0.47286 0.47935 0.02241  0.01439  -0.01441 620 ILE A CA  
34   C C   . ILE A 43  ? 0.42311 0.50473 0.52057 0.01918  0.02548  -0.01979 620 ILE A C   
35   O O   . ILE A 43  ? 0.40161 0.48467 0.48341 0.01562  0.02947  -0.02148 620 ILE A O   
36   C CB  . ILE A 43  ? 0.42642 0.52564 0.52539 0.02001  0.01205  -0.02563 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.40871 0.51825 0.50668 0.02046  -0.00371 -0.02280 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.35332 0.45432 0.47462 0.01960  0.02043  -0.03233 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.40978 0.52763 0.53465 0.02527  -0.01239 -0.01278 620 ILE A CD1 
40   N N   . TYR A 44  ? 0.42648 0.49888 0.54176 0.02128  0.02944  -0.02406 621 TYR A N   
41   C CA  . TYR A 44  ? 0.44515 0.50701 0.55731 0.01710  0.03608  -0.03226 621 TYR A CA  
42   C C   . TYR A 44  ? 0.46224 0.52724 0.57568 0.01821  0.04342  -0.04650 621 TYR A C   
43   O O   . TYR A 44  ? 0.42216 0.49030 0.55259 0.02497  0.04669  -0.05108 621 TYR A O   
44   C CB  . TYR A 44  ? 0.44836 0.49221 0.57533 0.01764  0.03374  -0.02860 621 TYR A CB  
45   C CG  . TYR A 44  ? 0.44159 0.47243 0.56556 0.01148  0.03615  -0.04013 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.46114 0.49697 0.57429 0.00208  0.03518  -0.03622 621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.43819 0.45313 0.57139 0.01572  0.03830  -0.05632 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.40823 0.43442 0.52019 -0.00529 0.03275  -0.04627 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.44833 0.45017 0.57348 0.00890  0.03697  -0.07012 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.48420 0.49216 0.59892 -0.00286 0.03234  -0.06385 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.49683 0.49395 0.60535 -0.01141 0.02647  -0.07681 621 TYR A OH  
52   N N   . ALA A 45  ? 0.40166 0.46880 0.49873 0.01219  0.04658  -0.05153 622 ALA A N   
53   C CA  . ALA A 45  ? 0.48993 0.56247 0.58092 0.01120  0.05429  -0.06093 622 ALA A CA  
54   C C   . ALA A 45  ? 0.46862 0.53280 0.54300 0.00582  0.05402  -0.06838 622 ALA A C   
55   O O   . ALA A 45  ? 0.47427 0.53996 0.53905 0.00002  0.04867  -0.06289 622 ALA A O   
56   C CB  . ALA A 45  ? 0.49375 0.57833 0.58050 0.00735  0.05445  -0.05536 622 ALA A CB  
57   N N   . ASP A 46  ? 0.45302 0.50904 0.52538 0.00852  0.05852  -0.08236 623 ASP A N   
58   C CA  . ASP A 46  ? 0.50547 0.55241 0.55894 0.00197  0.05427  -0.09259 623 ASP A CA  
59   C C   . ASP A 46  ? 0.56238 0.62104 0.59008 0.00058  0.06229  -0.10076 623 ASP A C   
60   O O   . ASP A 46  ? 0.51832 0.59114 0.54826 0.00563  0.07476  -0.10064 623 ASP A O   
61   C CB  . ASP A 46  ? 0.51950 0.54344 0.58328 0.00413  0.05036  -0.10608 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.66572 0.68478 0.74219 0.01728  0.06101  -0.11989 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.69034 0.72929 0.77140 0.02389  0.07220  -0.11662 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.60441 0.59955 0.69137 0.02121  0.05765  -0.13417 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.54185 0.59833 0.54585 -0.00760 0.05431  -0.10486 624 GLY A N   
66   C CA  . GLY A 47  ? 0.53217 0.60141 0.50396 -0.01044 0.06023  -0.10897 624 GLY A CA  
67   C C   . GLY A 47  ? 0.56776 0.63566 0.51574 -0.02084 0.04434  -0.10817 624 GLY A C   
68   O O   . GLY A 47  ? 0.50131 0.56116 0.46423 -0.02598 0.02966  -0.10411 624 GLY A O   
69   N N   . VAL A 48  ? 0.55294 0.63273 0.46441 -0.02435 0.04747  -0.11038 625 VAL A N   
70   C CA  . VAL A 48  ? 0.60160 0.68418 0.48700 -0.03461 0.02918  -0.10683 625 VAL A CA  
71   C C   . VAL A 48  ? 0.60335 0.69704 0.50191 -0.03838 0.02035  -0.07775 625 VAL A C   
72   O O   . VAL A 48  ? 0.59492 0.68876 0.50234 -0.04366 0.00176  -0.07002 625 VAL A O   
73   C CB  . VAL A 48  ? 0.60362 0.69572 0.43712 -0.03697 0.03458  -0.11971 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.61762 0.71391 0.42130 -0.04879 0.01002  -0.11459 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.61380 0.69171 0.43673 -0.02953 0.04481  -0.15444 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.55150 0.65440 0.45695 -0.03539 0.03280  -0.06178 626 TYR A N   
77   C CA  . TYR A 49  ? 0.49211 0.59936 0.41313 -0.03726 0.02484  -0.03627 626 TYR A CA  
78   C C   . TYR A 49  ? 0.57468 0.68941 0.47171 -0.04474 0.00734  -0.02261 626 TYR A C   
79   O O   . TYR A 49  ? 0.56473 0.67906 0.48233 -0.04457 -0.00832 -0.00845 626 TYR A O   
80   C CB  . TYR A 49  ? 0.51375 0.61230 0.47396 -0.03193 0.01932  -0.03443 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.53400 0.62685 0.51459 -0.02525 0.03285  -0.04321 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.53086 0.62670 0.52253 -0.02319 0.04212  -0.03491 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.48662 0.57105 0.47793 -0.02235 0.03363  -0.05746 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.44299 0.53662 0.45425 -0.01759 0.05034  -0.04177 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.44331 0.52364 0.45300 -0.01593 0.04278  -0.06160 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.49762 0.58409 0.51619 -0.01318 0.05038  -0.05429 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.53102 0.61614 0.56861 -0.00729 0.05555  -0.05750 626 TYR A OH  
88   N N   . ASP A 50  ? 0.59813 0.72221 0.45071 -0.05020 0.01018  -0.02690 627 ASP A N   
89   C CA  . ASP A 50  ? 0.60986 0.74407 0.43085 -0.05838 -0.00779 -0.01117 627 ASP A CA  
90   C C   . ASP A 50  ? 0.68288 0.82413 0.50746 -0.06089 -0.00650 0.02281  627 ASP A C   
91   O O   . ASP A 50  ? 0.66553 0.81244 0.48734 -0.06135 0.01365  0.02950  627 ASP A O   
92   C CB  . ASP A 50  ? 0.67482 0.81745 0.43815 -0.06333 -0.00438 -0.02968 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.74981 0.90093 0.47803 -0.07279 -0.03157 -0.02104 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.70716 0.85763 0.46550 -0.07428 -0.05389 -0.00272 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.77017 0.93053 0.44081 -0.07791 -0.03128 -0.03357 627 ASP A OD2 
96   N N   . MET A 51  ? 0.62832 0.76950 0.46489 -0.06272 -0.02891 0.04567  628 MET A N   
97   C CA  . MET A 51  ? 0.65635 0.79878 0.49860 -0.06569 -0.03331 0.08119  628 MET A CA  
98   C C   . MET A 51  ? 0.62156 0.75362 0.49819 -0.06221 -0.01481 0.08622  628 MET A C   
99   O O   . MET A 51  ? 0.61320 0.75195 0.47844 -0.06891 -0.00134 0.10237  628 MET A O   
100  C CB  . MET A 51  ? 0.71286 0.87306 0.49768 -0.07660 -0.03335 0.09819  628 MET A CB  
101  C CG  . MET A 51  ? 0.76578 0.93627 0.51263 -0.08171 -0.05823 0.09493  628 MET A CG  
102  S SD  . MET A 51  ? 1.00063 1.19528 0.66685 -0.09473 -0.05930 0.11528  628 MET A SD  
103  C CE  . MET A 51  ? 0.98183 1.18591 0.61607 -0.09319 -0.01792 0.08427  628 MET A CE  
104  N N   . LEU A 52  ? 0.57299 0.69073 0.49290 -0.05269 -0.01560 0.07343  629 LEU A N   
105  C CA  . LEU A 52  ? 0.57030 0.67775 0.52019 -0.04912 -0.00069 0.06876  629 LEU A CA  
106  C C   . LEU A 52  ? 0.56501 0.66617 0.52779 -0.05538 -0.00104 0.09737  629 LEU A C   
107  O O   . LEU A 52  ? 0.58660 0.67874 0.56018 -0.05556 -0.01799 0.12032  629 LEU A O   
108  C CB  . LEU A 52  ? 0.53622 0.63031 0.52400 -0.03779 -0.00627 0.05489  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.48351 0.57008 0.49229 -0.03300 0.00734  0.03834  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.46552 0.55962 0.46164 -0.03124 0.01686  0.01553  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.49806 0.57044 0.54043 -0.02251 -0.00032 0.03457  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.53362 0.63903 0.50235 -0.06063 0.01640  0.09735  630 HIS A N   
113  C CA  . HIS A 53  ? 0.56475 0.66511 0.55061 -0.07061 0.01676  0.12616  630 HIS A CA  
114  C C   . HIS A 53  ? 0.49374 0.58520 0.51738 -0.07042 0.02490  0.11544  630 HIS A C   
115  O O   . HIS A 53  ? 0.47690 0.56669 0.50973 -0.06138 0.02939  0.08795  630 HIS A O   
116  C CB  . HIS A 53  ? 0.64339 0.76967 0.59253 -0.08388 0.02962  0.14815  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.67270 0.82464 0.59678 -0.08277 0.05350  0.12513  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.66845 0.82829 0.61989 -0.08212 0.07100  0.11311  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.71829 0.88877 0.59488 -0.08095 0.06147  0.11026  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.71048 0.89293 0.63627 -0.07788 0.09033  0.09281  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.71605 0.90318 0.59437 -0.07705 0.08548  0.08868  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.52776 0.61293 0.57481 -0.08201 0.02406  0.13981  631 LEU A N   
123  C CA  . LEU A 54  ? 0.51954 0.59568 0.60566 -0.08498 0.02644  0.13141  631 LEU A CA  
124  C C   . LEU A 54  ? 0.54170 0.64388 0.62437 -0.08306 0.04574  0.11019  631 LEU A C   
125  O O   . LEU A 54  ? 0.50433 0.59940 0.61201 -0.07847 0.04346  0.09111  631 LEU A O   
126  C CB  . LEU A 54  ? 0.53684 0.60809 0.64870 -0.10288 0.02397  0.16511  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.58199 0.61584 0.74062 -0.10572 0.00527  0.16640  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.56897 0.60954 0.75973 -0.12780 0.00934  0.19311  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.53422 0.55424 0.70626 -0.09209 0.00017  0.12756  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.57122 0.70371 0.62272 -0.08538 0.06401  0.11255  632 GLY A N   
131  C CA  . GLY A 55  ? 0.56434 0.72078 0.61765 -0.08020 0.08291  0.09156  632 GLY A CA  
132  C C   . GLY A 55  ? 0.54370 0.68718 0.59537 -0.06461 0.07719  0.05977  632 GLY A C   
133  O O   . GLY A 55  ? 0.47587 0.62202 0.55262 -0.05984 0.07989  0.04525  632 GLY A O   
134  N N   . HIS A 56  ? 0.51767 0.64920 0.54182 -0.05767 0.06798  0.05140  633 HIS A N   
135  C CA  . HIS A 56  ? 0.43205 0.55119 0.45859 -0.04550 0.06179  0.02673  633 HIS A CA  
136  C C   . HIS A 56  ? 0.46536 0.56639 0.52369 -0.04214 0.05059  0.02289  633 HIS A C   
137  O O   . HIS A 56  ? 0.45427 0.55406 0.52334 -0.03502 0.05153  0.00627  633 HIS A O   
138  C CB  . HIS A 56  ? 0.52559 0.63605 0.52838 -0.04186 0.05002  0.02377  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.58383 0.70884 0.54771 -0.04483 0.05617  0.02120  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.54048 0.67167 0.47835 -0.05268 0.05009  0.04115  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.60286 0.73499 0.54720 -0.04049 0.06561  -0.00056 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.62894 0.77305 0.52733 -0.05368 0.05596  0.03000  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.63364 0.77651 0.53671 -0.04588 0.06570  0.00264  633 HIS A NE2 
144  N N   . MET A 57  ? 0.44873 0.53342 0.52002 -0.04631 0.03829  0.03762  634 MET A N   
145  C CA  . MET A 57  ? 0.49508 0.55811 0.58963 -0.04064 0.02600  0.02831  634 MET A CA  
146  C C   . MET A 57  ? 0.42452 0.49045 0.54235 -0.04512 0.02749  0.02229  634 MET A C   
147  O O   . MET A 57  ? 0.44189 0.50095 0.56579 -0.03781 0.02221  0.00479  634 MET A O   
148  C CB  . MET A 57  ? 0.42377 0.46480 0.53084 -0.04267 0.01203  0.04395  634 MET A CB  
149  C CG  . MET A 57  ? 0.42390 0.46328 0.51547 -0.03591 0.00539  0.05040  634 MET A CG  
150  S SD  . MET A 57  ? 0.50408 0.52002 0.61542 -0.03942 -0.01103 0.07730  634 MET A SD  
151  C CE  . MET A 57  ? 0.52147 0.55018 0.61004 -0.03440 -0.01841 0.08920  634 MET A CE  
152  N N   . LYS A 58  ? 0.43783 0.51705 0.56970 -0.05807 0.03385  0.03855  635 LYS A N   
153  C CA  . LYS A 58  ? 0.44891 0.53705 0.61037 -0.06413 0.03344  0.03483  635 LYS A CA  
154  C C   . LYS A 58  ? 0.45345 0.56119 0.61108 -0.05465 0.04263  0.01776  635 LYS A C   
155  O O   . LYS A 58  ? 0.42917 0.53762 0.60586 -0.05327 0.03466  0.00758  635 LYS A O   
156  C CB  . LYS A 58  ? 0.41552 0.52269 0.59791 -0.08111 0.04199  0.05955  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.45142 0.53387 0.65036 -0.09340 0.02823  0.07992  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.51624 0.62190 0.72632 -0.11147 0.04083  0.11276  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.62748 0.74481 0.88621 -0.12759 0.03839  0.12139  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.77734 0.87120 1.06462 -0.14656 0.02460  0.14955  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.44818 0.56989 0.58149 -0.04812 0.05693  0.01442  636 GLN A N   
162  C CA  . GLN A 59  ? 0.43636 0.57062 0.56874 -0.03756 0.06471  -0.00139 636 GLN A CA  
163  C C   . GLN A 59  ? 0.43817 0.55363 0.56283 -0.02763 0.05254  -0.01590 636 GLN A C   
164  O O   . GLN A 59  ? 0.39332 0.51366 0.53009 -0.02191 0.04993  -0.02399 636 GLN A O   
165  C CB  . GLN A 59  ? 0.48859 0.63515 0.59498 -0.03321 0.08079  -0.00507 636 GLN A CB  
166  C CG  . GLN A 59  ? 0.51211 0.66817 0.62391 -0.02164 0.08953  -0.02133 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.68870 0.86157 0.78153 -0.01830 0.10901  -0.02736 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.70583 0.87463 0.76473 -0.02209 0.11065  -0.02563 636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.66359 0.85685 0.77803 -0.01018 0.12322  -0.03545 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.40643 0.50387 0.51222 -0.02517 0.04554  -0.01701 637 LEU A N   
171  C CA  . LEU A 60  ? 0.43021 0.51521 0.52965 -0.01645 0.03722  -0.02823 637 LEU A CA  
172  C C   . LEU A 60  ? 0.40230 0.47911 0.51544 -0.01692 0.02541  -0.03309 637 LEU A C   
173  O O   . LEU A 60  ? 0.40918 0.48624 0.51851 -0.01071 0.02103  -0.04197 637 LEU A O   
174  C CB  . LEU A 60  ? 0.37682 0.45081 0.46163 -0.01342 0.03366  -0.02691 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.41332 0.49438 0.48094 -0.01375 0.03996  -0.02544 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.47120 0.54585 0.53209 -0.01210 0.03235  -0.02060 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.45542 0.54003 0.52023 -0.00841 0.04430  -0.03608 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.39740 0.46523 0.52487 -0.02515 0.01837  -0.02691 638 GLU A N   
179  C CA  . GLU A 61  ? 0.42263 0.47997 0.56406 -0.02790 0.00398  -0.03496 638 GLU A CA  
180  C C   . GLU A 61  ? 0.41084 0.48746 0.56622 -0.02993 0.00210  -0.03719 638 GLU A C   
181  O O   . GLU A 61  ? 0.37599 0.44917 0.52725 -0.02639 -0.00993 -0.04858 638 GLU A O   
182  C CB  . GLU A 61  ? 0.42472 0.46786 0.58777 -0.04001 -0.00414 -0.02497 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.43785 0.46245 0.61492 -0.04381 -0.02324 -0.03803 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.48667 0.49462 0.69438 -0.05937 -0.03371 -0.02619 638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.48430 0.49817 0.70138 -0.06776 -0.02458 -0.00331 638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.50079 0.48903 0.72244 -0.06444 -0.05249 -0.03938 638 GLU A OE2 
187  N N   . GLN A 62  ? 0.40368 0.50314 0.57529 -0.03446 0.01392  -0.02634 639 GLN A N   
188  C CA  . GLN A 62  ? 0.36577 0.48767 0.56124 -0.03459 0.01209  -0.02637 639 GLN A CA  
189  C C   . GLN A 62  ? 0.39744 0.52045 0.57688 -0.02145 0.01089  -0.03493 639 GLN A C   
190  O O   . GLN A 62  ? 0.38608 0.51351 0.57272 -0.01985 -0.00311 -0.03853 639 GLN A O   
191  C CB  . GLN A 62  ? 0.40846 0.55834 0.62595 -0.03829 0.03016  -0.01471 639 GLN A CB  
192  C CG  . GLN A 62  ? 0.46186 0.61919 0.70322 -0.05457 0.03195  0.00061  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.65486 0.84611 0.91022 -0.05633 0.05602  0.01224  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.61203 0.83136 0.89400 -0.05100 0.06338  0.01057  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.64837 0.83878 0.88427 -0.06214 0.06877  0.02387  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.40042 0.51854 0.55781 -0.01341 0.02308  -0.03662 640 ALA A N   
197  C CA  . ALA A 63  ? 0.40573 0.52152 0.55072 -0.00319 0.02176  -0.04068 640 ALA A CA  
198  C C   . ALA A 63  ? 0.41627 0.52039 0.54194 -0.00121 0.00800  -0.04602 640 ALA A C   
199  O O   . ALA A 63  ? 0.40676 0.51592 0.53034 0.00303  -0.00079 -0.04514 640 ALA A O   
200  C CB  . ALA A 63  ? 0.37434 0.48330 0.50171 0.00133  0.03442  -0.04213 640 ALA A CB  
201  N N   . LYS A 64  ? 0.45584 0.54536 0.56630 -0.00300 0.00624  -0.05136 641 LYS A N   
202  C CA  . LYS A 64  ? 0.41625 0.49661 0.50540 0.00136  -0.00320 -0.06091 641 LYS A CA  
203  C C   . LYS A 64  ? 0.45877 0.54193 0.55342 -0.00262 -0.02104 -0.06656 641 LYS A C   
204  O O   . LYS A 64  ? 0.41520 0.49989 0.48752 0.00208  -0.02956 -0.07221 641 LYS A O   
205  C CB  . LYS A 64  ? 0.40498 0.46882 0.48619 0.00253  -0.00179 -0.06790 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.41283 0.46668 0.47338 0.00917  -0.00955 -0.08366 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.42673 0.49154 0.46231 0.01870  -0.00050 -0.08353 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.44746 0.50734 0.45692 0.02681  -0.00485 -0.10166 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.48510 0.56303 0.46809 0.03328  0.00378  -0.09695 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.44167 0.52807 0.56549 -0.01260 -0.02778 -0.06386 642 LYS A N   
211  C CA  . LYS A 65  ? 0.43015 0.51886 0.56512 -0.01964 -0.04905 -0.07009 642 LYS A CA  
212  C C   . LYS A 65  ? 0.43044 0.54517 0.58932 -0.02029 -0.05502 -0.05952 642 LYS A C   
213  O O   . LYS A 65  ? 0.40410 0.52800 0.58546 -0.02892 -0.07385 -0.06052 642 LYS A O   
214  C CB  . LYS A 65  ? 0.45467 0.53159 0.61589 -0.03290 -0.05673 -0.07160 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.45116 0.49761 0.59344 -0.02991 -0.05612 -0.08337 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.49707 0.52402 0.66781 -0.04355 -0.06731 -0.08320 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.53374 0.52601 0.68717 -0.03611 -0.07107 -0.09945 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.53619 0.50363 0.72090 -0.04814 -0.07913 -0.09293 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.40482 0.53071 0.56320 -0.01105 -0.04161 -0.04981 643 LEU A N   
220  C CA  . LEU A 66  ? 0.43483 0.58400 0.62244 -0.00814 -0.04753 -0.03942 643 LEU A CA  
221  C C   . LEU A 66  ? 0.45742 0.61146 0.63166 -0.00719 -0.07219 -0.04007 643 LEU A C   
222  O O   . LEU A 66  ? 0.41447 0.58966 0.62094 -0.00874 -0.08696 -0.03227 643 LEU A O   
223  C CB  . LEU A 66  ? 0.42926 0.58102 0.61843 0.00315  -0.02970 -0.03181 643 LEU A CB  
224  C CG  . LEU A 66  ? 0.38027 0.53635 0.58742 0.00291  -0.00745 -0.03125 643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.37832 0.52641 0.57525 0.01344  0.00660  -0.03079 643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.40431 0.58852 0.65981 0.00014  -0.00595 -0.02531 643 LEU A CD2 
227  N N   . PHE A 67  ? 0.42498 0.56381 0.55210 -0.00386 -0.07656 -0.04809 644 PHE A N   
228  C CA  . PHE A 67  ? 0.51240 0.65631 0.61406 -0.00386 -0.10016 -0.05044 644 PHE A CA  
229  C C   . PHE A 67  ? 0.52612 0.65045 0.58649 -0.00609 -0.10477 -0.07236 644 PHE A C   
230  O O   . PHE A 67  ? 0.51832 0.62577 0.57214 -0.00472 -0.08820 -0.08133 644 PHE A O   
231  C CB  . PHE A 67  ? 0.46692 0.61807 0.54777 0.00599  -0.09866 -0.03398 644 PHE A CB  
232  C CG  . PHE A 67  ? 0.48629 0.65157 0.61157 0.01136  -0.09597 -0.01490 644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.51061 0.69640 0.66447 0.01144  -0.11855 -0.00386 644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.46794 0.62590 0.60872 0.01727  -0.07212 -0.01006 644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.47411 0.67304 0.67540 0.02006  -0.11500 0.01205  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.40875 0.57632 0.59123 0.02501  -0.06866 0.00228  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.43354 0.62141 0.64800 0.02775  -0.08868 0.01336  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.49159 0.61848 0.52476 -0.00858 -0.12895 -0.08219 645 GLU A N   
239  C CA  . GLU A 68  ? 0.56395 0.67082 0.55616 -0.00857 -0.13477 -0.10924 645 GLU A CA  
240  C C   . GLU A 68  ? 0.58552 0.68472 0.53783 0.00382  -0.10946 -0.11325 645 GLU A C   
241  O O   . GLU A 68  ? 0.62426 0.70381 0.56875 0.00701  -0.09965 -0.13202 645 GLU A O   
242  C CB  . GLU A 68  ? 0.67086 0.78511 0.63091 -0.01217 -0.16553 -0.11972 645 GLU A CB  
243  C CG  . GLU A 68  ? 0.76346 0.85555 0.67670 -0.01026 -0.17249 -0.15393 645 GLU A CG  
244  C CD  . GLU A 68  ? 0.89352 0.99422 0.76384 -0.01372 -0.20410 -0.16660 645 GLU A CD  
245  O OE1 . GLU A 68  ? 0.89036 1.01743 0.75919 -0.01480 -0.21680 -0.14253 645 GLU A OE1 
246  O OE2 . GLU A 68  ? 0.94780 1.02758 0.78567 -0.01475 -0.21761 -0.20114 645 GLU A OE2 
247  N N   . ASN A 69  ? 0.55837 0.67373 0.49034 0.01071  -0.09946 -0.09402 646 ASN A N   
248  C CA  . ASN A 69  ? 0.60882 0.72473 0.50843 0.02041  -0.07533 -0.09313 646 ASN A CA  
249  C C   . ASN A 69  ? 0.55142 0.67313 0.47963 0.02173  -0.05667 -0.06784 646 ASN A C   
250  O O   . ASN A 69  ? 0.53464 0.66788 0.47200 0.02098  -0.06226 -0.04549 646 ASN A O   
251  C CB  . ASN A 69  ? 0.66706 0.79814 0.50991 0.02512  -0.08045 -0.09193 646 ASN A CB  
252  C CG  . ASN A 69  ? 0.78106 0.90400 0.58509 0.02547  -0.09794 -0.12411 646 ASN A CG  
253  O OD1 . ASN A 69  ? 0.83892 0.97125 0.61765 0.02112  -0.12316 -0.12499 646 ASN A OD1 
254  N ND2 . ASN A 69  ? 0.74372 0.84759 0.54375 0.03112  -0.08694 -0.15182 646 ASN A ND2 
255  N N   . THR A 70  ? 0.49696 0.60901 0.44037 0.02393  -0.03707 -0.07180 647 THR A N   
256  C CA  . THR A 70  ? 0.48210 0.59595 0.45211 0.02362  -0.02218 -0.05326 647 THR A CA  
257  C C   . THR A 70  ? 0.48485 0.59883 0.44560 0.02819  -0.00158 -0.05399 647 THR A C   
258  O O   . THR A 70  ? 0.48250 0.59302 0.42786 0.03325  0.00393  -0.07099 647 THR A O   
259  C CB  . THR A 70  ? 0.51876 0.62463 0.53002 0.01852  -0.02224 -0.05392 647 THR A CB  
260  O OG1 . THR A 70  ? 0.42456 0.51754 0.43921 0.01771  -0.01683 -0.06877 647 THR A OG1 
261  C CG2 . THR A 70  ? 0.46417 0.57629 0.49627 0.01343  -0.04148 -0.05270 647 THR A CG2 
262  N N   . THR A 71  ? 0.45168 0.56937 0.42744 0.02667  0.00857  -0.03596 648 THR A N   
263  C CA  . THR A 71  ? 0.46106 0.57882 0.44659 0.02729  0.02483  -0.03447 648 THR A CA  
264  C C   . THR A 71  ? 0.44078 0.54766 0.45779 0.02244  0.02509  -0.03125 648 THR A C   
265  O O   . THR A 71  ? 0.43703 0.54182 0.46763 0.02019  0.02193  -0.01972 648 THR A O   
266  C CB  . THR A 71  ? 0.42437 0.55683 0.39998 0.02690  0.03526  -0.01616 648 THR A CB  
267  O OG1 . THR A 71  ? 0.49682 0.64416 0.43618 0.03213  0.03767  -0.01939 648 THR A OG1 
268  C CG2 . THR A 71  ? 0.46747 0.60403 0.46128 0.02549  0.04937  -0.01360 648 THR A CG2 
269  N N   . LEU A 72  ? 0.43728 0.53695 0.46474 0.02186  0.02851  -0.04146 649 LEU A N   
270  C CA  . LEU A 72  ? 0.37631 0.46894 0.42443 0.01727  0.03052  -0.03947 649 LEU A CA  
271  C C   . LEU A 72  ? 0.41166 0.50622 0.46482 0.01526  0.03853  -0.03390 649 LEU A C   
272  O O   . LEU A 72  ? 0.39475 0.49321 0.44721 0.01696  0.04240  -0.03709 649 LEU A O   
273  C CB  . LEU A 72  ? 0.36589 0.45147 0.42117 0.01526  0.02779  -0.04833 649 LEU A CB  
274  C CG  . LEU A 72  ? 0.38824 0.47119 0.45586 0.01056  0.03233  -0.04575 649 LEU A CG  
275  C CD1 . LEU A 72  ? 0.40656 0.49220 0.48574 0.01026  0.03302  -0.04295 649 LEU A CD1 
276  C CD2 . LEU A 72  ? 0.40784 0.48610 0.48043 0.00689  0.03059  -0.04803 649 LEU A CD2 
277  N N   . ILE A 73  ? 0.42397 0.51490 0.48696 0.01172  0.03910  -0.02617 650 ILE A N   
278  C CA  . ILE A 73  ? 0.42883 0.51821 0.50136 0.00640  0.04225  -0.02273 650 ILE A CA  
279  C C   . ILE A 73  ? 0.44177 0.52151 0.51866 0.00366  0.04084  -0.03235 650 ILE A C   
280  O O   . ILE A 73  ? 0.44096 0.51409 0.52162 0.00546  0.04044  -0.03666 650 ILE A O   
281  C CB  . ILE A 73  ? 0.44238 0.52782 0.52425 0.00274  0.04143  -0.00980 650 ILE A CB  
282  C CG1 . ILE A 73  ? 0.44455 0.54320 0.51482 0.00515  0.04359  0.00351  650 ILE A CG1 
283  C CG2 . ILE A 73  ? 0.41187 0.49462 0.50828 -0.00601 0.04149  -0.00685 650 ILE A CG2 
284  C CD1 . ILE A 73  ? 0.44793 0.54234 0.52849 0.00014  0.04169  0.02329  650 ILE A CD1 
285  N N   . VAL A 74  ? 0.39640 0.47868 0.47266 0.00011  0.04037  -0.03504 651 VAL A N   
286  C CA  . VAL A 74  ? 0.38519 0.46146 0.45666 -0.00349 0.03872  -0.04280 651 VAL A CA  
287  C C   . VAL A 74  ? 0.44043 0.51161 0.51636 -0.01062 0.03421  -0.04478 651 VAL A C   
288  O O   . VAL A 74  ? 0.41244 0.49197 0.49820 -0.01470 0.03096  -0.03775 651 VAL A O   
289  C CB  . VAL A 74  ? 0.40653 0.48823 0.47159 -0.00332 0.03690  -0.04204 651 VAL A CB  
290  C CG1 . VAL A 74  ? 0.42834 0.50798 0.48188 -0.00880 0.03458  -0.04590 651 VAL A CG1 
291  C CG2 . VAL A 74  ? 0.50073 0.58168 0.56500 0.00096  0.03873  -0.04229 651 VAL A CG2 
292  N N   . GLY A 75  ? 0.43024 0.48895 0.50169 -0.01199 0.03394  -0.05567 652 GLY A N   
293  C CA  . GLY A 75  ? 0.41322 0.46143 0.48616 -0.01983 0.02640  -0.06332 652 GLY A CA  
294  C C   . GLY A 75  ? 0.49637 0.54735 0.54680 -0.02363 0.02248  -0.07347 652 GLY A C   
295  O O   . GLY A 75  ? 0.46178 0.51545 0.49507 -0.01913 0.02993  -0.07941 652 GLY A O   
296  N N   . VAL A 76  ? 0.45679 0.51052 0.50820 -0.03305 0.01011  -0.07313 653 VAL A N   
297  C CA  . VAL A 76  ? 0.45995 0.51857 0.48641 -0.03841 0.00143  -0.07980 653 VAL A CA  
298  C C   . VAL A 76  ? 0.49658 0.53846 0.51514 -0.04682 -0.00973 -0.09892 653 VAL A C   
299  O O   . VAL A 76  ? 0.50171 0.53832 0.54449 -0.05575 -0.02111 -0.09687 653 VAL A O   
300  C CB  . VAL A 76  ? 0.49967 0.57773 0.53572 -0.04195 -0.00874 -0.06347 653 VAL A CB  
301  C CG1 . VAL A 76  ? 0.45518 0.53981 0.46170 -0.04632 -0.01888 -0.06474 653 VAL A CG1 
302  C CG2 . VAL A 76  ? 0.41656 0.50452 0.46630 -0.03219 0.00167  -0.04914 653 VAL A CG2 
303  N N   . THR A 77  ? 0.46902 0.50329 0.45437 -0.04460 -0.00629 -0.11814 654 THR A N   
304  C CA  . THR A 77  ? 0.52556 0.53841 0.49848 -0.05011 -0.01610 -0.14393 654 THR A CA  
305  C C   . THR A 77  ? 0.54085 0.55934 0.50504 -0.06527 -0.04054 -0.14494 654 THR A C   
306  O O   . THR A 77  ? 0.54310 0.58439 0.49590 -0.06837 -0.04728 -0.12928 654 THR A O   
307  C CB  . THR A 77  ? 0.63861 0.64732 0.57344 -0.04111 -0.00235 -0.16684 654 THR A CB  
308  O OG1 . THR A 77  ? 0.63450 0.66803 0.53590 -0.04193 0.00139  -0.15608 654 THR A OG1 
309  C CG2 . THR A 77  ? 0.57365 0.57686 0.52808 -0.02604 0.01896  -0.16866 654 THR A CG2 
310  N N   . SER A 78  ? 0.58931 0.58556 0.56165 -0.07501 -0.05627 -0.16344 655 SER A N   
311  C CA  . SER A 78  ? 0.65647 0.65782 0.62539 -0.09195 -0.08410 -0.16665 655 SER A CA  
312  C C   . SER A 78  ? 0.69172 0.69882 0.60073 -0.09344 -0.09209 -0.18467 655 SER A C   
313  O O   . SER A 78  ? 0.66992 0.66872 0.54020 -0.08283 -0.07564 -0.20440 655 SER A O   
314  C CB  . SER A 78  ? 0.65265 0.62399 0.64883 -0.10434 -0.10083 -0.18356 655 SER A CB  
315  O OG  . SER A 78  ? 0.69818 0.63869 0.65891 -0.10059 -0.10145 -0.22157 655 SER A OG  
316  N N   . ASP A 79  ? 0.66411 0.68895 0.56635 -0.10691 -0.11808 -0.17675 656 ASP A N   
317  C CA  . ASP A 79  ? 0.74654 0.77922 0.58647 -0.11085 -0.13057 -0.19074 656 ASP A CA  
318  C C   . ASP A 79  ? 0.81299 0.81451 0.61478 -0.11322 -0.13568 -0.23537 656 ASP A C   
319  O O   . ASP A 79  ? 0.88402 0.88584 0.62687 -0.10523 -0.12318 -0.25485 656 ASP A O   
320  C CB  . ASP A 79  ? 0.82660 0.88358 0.67371 -0.12591 -0.16373 -0.17311 656 ASP A CB  
321  C CG  . ASP A 79  ? 0.79348 0.88193 0.66792 -0.11940 -0.15843 -0.13251 656 ASP A CG  
322  O OD1 . ASP A 79  ? 0.77748 0.87181 0.63246 -0.10639 -0.13521 -0.12072 656 ASP A OD1 
323  O OD2 . ASP A 79  ? 0.83527 0.94274 0.75465 -0.12721 -0.17794 -0.11305 656 ASP A OD2 
324  N N   . ASN A 80  ? 0.83136 0.80582 0.66684 -0.12439 -0.15380 -0.25258 657 ASN A N   
325  C CA  . ASN A 80  ? 0.91168 0.85065 0.71271 -0.12739 -0.16409 -0.29955 657 ASN A CA  
326  C C   . ASN A 80  ? 0.91258 0.83121 0.69482 -0.10551 -0.13008 -0.32271 657 ASN A C   
327  O O   . ASN A 80  ? 0.95495 0.86569 0.67804 -0.09801 -0.12348 -0.35736 657 ASN A O   
328  C CB  . ASN A 80  ? 0.93509 0.84449 0.78810 -0.14528 -0.19116 -0.30962 657 ASN A CB  
329  C CG  . ASN A 80  ? 1.04493 0.97212 0.90132 -0.16932 -0.23196 -0.30364 657 ASN A CG  
330  O OD1 . ASN A 80  ? 1.05862 1.02502 0.89422 -0.17107 -0.23918 -0.28035 657 ASN A OD1 
331  N ND2 . ASN A 80  ? 1.11185 1.01046 0.99803 -0.18823 -0.25784 -0.31969 657 ASN A ND2 
332  N N   . GLU A 81  ? 0.87780 0.79185 0.70959 -0.09417 -0.10772 -0.30344 658 GLU A N   
333  C CA  . GLU A 81  ? 0.86987 0.76614 0.69733 -0.07295 -0.07839 -0.32335 658 GLU A CA  
334  C C   . GLU A 81  ? 0.90718 0.83601 0.68771 -0.05867 -0.05122 -0.31897 658 GLU A C   
335  O O   . GLU A 81  ? 0.97088 0.89272 0.71871 -0.04398 -0.03191 -0.34960 658 GLU A O   
336  C CB  . GLU A 81  ? 0.82666 0.71226 0.71991 -0.06657 -0.06675 -0.29965 658 GLU A CB  
337  C CG  . GLU A 81  ? 0.81945 0.66217 0.75648 -0.07651 -0.08655 -0.31228 658 GLU A CG  
338  C CD  . GLU A 81  ? 0.76319 0.60409 0.76309 -0.07672 -0.08088 -0.27685 658 GLU A CD  
339  O OE1 . GLU A 81  ? 0.73093 0.60708 0.74371 -0.07895 -0.07450 -0.24066 658 GLU A OE1 
340  O OE2 . GLU A 81  ? 0.81634 0.61939 0.85165 -0.07412 -0.08320 -0.28534 658 GLU A OE2 
341  N N   . THR A 82  ? 0.87964 0.84461 0.65926 -0.06261 -0.04876 -0.28104 659 THR A N   
342  C CA  . THR A 82  ? 0.93416 0.93010 0.67235 -0.05339 -0.02579 -0.27143 659 THR A CA  
343  C C   . THR A 82  ? 1.02437 1.02540 0.68887 -0.05589 -0.02988 -0.30020 659 THR A C   
344  O O   . THR A 82  ? 1.05185 1.06320 0.67979 -0.04280 -0.00317 -0.31675 659 THR A O   
345  C CB  . THR A 82  ? 0.86879 0.89521 0.62021 -0.05988 -0.03001 -0.22671 659 THR A CB  
346  O OG1 . THR A 82  ? 0.72681 0.74916 0.53962 -0.05641 -0.02495 -0.20459 659 THR A OG1 
347  C CG2 . THR A 82  ? 0.86118 0.91662 0.57710 -0.05297 -0.00714 -0.21190 659 THR A CG2 
348  N N   . LYS A 83  ? 1.00528 1.00309 0.64657 -0.07290 -0.06327 -0.30606 660 LYS A N   
349  C CA  . LYS A 83  ? 1.08986 1.09022 0.65510 -0.07598 -0.07151 -0.33246 660 LYS A CA  
350  C C   . LYS A 83  ? 1.13579 1.09545 0.68813 -0.06090 -0.05848 -0.37125 660 LYS A C   
351  O O   . LYS A 83  ? 1.18712 1.14884 0.68362 -0.04978 -0.04155 -0.38366 660 LYS A O   
352  C CB  . LYS A 83  ? 1.11403 1.11360 0.66834 -0.09721 -0.11569 -0.32817 660 LYS A CB  
353  C CG  . LYS A 83  ? 1.13211 1.16728 0.70966 -0.10799 -0.12998 -0.28017 660 LYS A CG  
354  C CD  . LYS A 83  ? 1.19541 1.23624 0.76758 -0.12878 -0.17607 -0.27713 660 LYS A CD  
355  C CE  . LYS A 83  ? 1.16847 1.24014 0.78325 -0.13389 -0.18864 -0.22558 660 LYS A CE  
356  N NZ  . LYS A 83  ? 1.16756 1.24630 0.80413 -0.15297 -0.23329 -0.22066 660 LYS A NZ  
357  N N   . LEU A 84  ? 1.10927 1.03147 0.71451 -0.06037 -0.06552 -0.38847 661 LEU A N   
358  C CA  . LEU A 84  ? 1.14338 1.02097 0.73980 -0.04822 -0.05860 -0.42439 661 LEU A CA  
359  C C   . LEU A 84  ? 1.13346 1.01861 0.73138 -0.02171 -0.01637 -0.42969 661 LEU A C   
360  O O   . LEU A 84  ? 1.16089 1.02995 0.72022 -0.00810 -0.00201 -0.45590 661 LEU A O   
361  C CB  . LEU A 84  ? 1.13107 0.96604 0.79020 -0.05688 -0.07917 -0.43359 661 LEU A CB  
362  C CG  . LEU A 84  ? 1.17758 0.96171 0.83597 -0.04514 -0.07353 -0.46877 661 LEU A CG  
363  C CD1 . LEU A 84  ? 1.20299 0.96854 0.79114 -0.05345 -0.08967 -0.49707 661 LEU A CD1 
364  C CD2 . LEU A 84  ? 1.19767 0.94204 0.92790 -0.05360 -0.09075 -0.46805 661 LEU A CD2 
365  N N   . PHE A 85  ? 1.09281 1.00334 0.73633 -0.01443 0.00361  -0.40528 662 PHE A N   
366  C CA  . PHE A 85  ? 1.09857 1.01624 0.76291 0.00957  0.03984  -0.40684 662 PHE A CA  
367  C C   . PHE A 85  ? 1.08495 1.05366 0.72389 0.01548  0.06801  -0.38292 662 PHE A C   
368  O O   . PHE A 85  ? 1.19139 1.17021 0.81969 0.03374  0.09699  -0.39020 662 PHE A O   
369  C CB  . PHE A 85  ? 1.01306 0.91713 0.75453 0.01449  0.04152  -0.39640 662 PHE A CB  
370  C CG  . PHE A 85  ? 1.03940 0.89139 0.81533 0.00927  0.01696  -0.41410 662 PHE A CG  
371  C CD1 . PHE A 85  ? 1.13417 0.94755 0.90020 0.02108  0.01853  -0.44488 662 PHE A CD1 
372  C CD2 . PHE A 85  ? 1.03848 0.88025 0.85945 -0.00834 -0.00699 -0.39790 662 PHE A CD2 
373  C CE1 . PHE A 85  ? 1.16912 0.93246 0.96945 0.01400  -0.00476 -0.45765 662 PHE A CE1 
374  C CE2 . PHE A 85  ? 0.97709 0.77196 0.83454 -0.01591 -0.02946 -0.40769 662 PHE A CE2 
375  C CZ  . PHE A 85  ? 1.08639 0.84121 0.93367 -0.00549 -0.02898 -0.43664 662 PHE A CZ  
376  N N   . LYS A 86  ? 1.08350 1.08524 0.71622 0.00000  0.06063  -0.35243 663 LYS A N   
377  C CA  . LYS A 86  ? 1.07792 1.12554 0.69046 0.00215  0.08527  -0.32421 663 LYS A CA  
378  C C   . LYS A 86  ? 1.15851 1.22369 0.69875 -0.00780 0.07751  -0.31744 663 LYS A C   
379  O O   . LYS A 86  ? 1.19938 1.28001 0.70105 0.00186  0.10065  -0.31920 663 LYS A O   
380  C CB  . LYS A 86  ? 1.05403 1.12235 0.71048 -0.00682 0.08335  -0.28720 663 LYS A CB  
381  C CG  . LYS A 86  ? 1.06655 1.17727 0.71225 -0.00756 0.10550  -0.25276 663 LYS A CG  
382  C CD  . LYS A 86  ? 1.00920 1.12356 0.71470 -0.01101 0.10197  -0.21332 663 LYS A CD  
383  C CE  . LYS A 86  ? 1.05502 1.18107 0.80494 0.00348  0.12979  -0.21062 663 LYS A CE  
384  N NZ  . LYS A 86  ? 1.14831 1.25801 0.90717 0.02098  0.14323  -0.25081 663 LYS A NZ  
385  N N   . GLY A 87  ? 1.18356 1.24745 0.70635 -0.02688 0.04433  -0.30839 664 GLY A N   
386  C CA  . GLY A 87  ? 1.26071 1.33947 0.71684 -0.03669 0.03088  -0.29864 664 GLY A CA  
387  C C   . GLY A 87  ? 1.27325 1.36609 0.73481 -0.05738 -0.00241 -0.27014 664 GLY A C   
388  O O   . GLY A 87  ? 1.23783 1.32134 0.75327 -0.06406 -0.01745 -0.26488 664 GLY A O   
389  N N   . GLN A 88  ? 1.38785 1.50232 0.79749 -0.06575 -0.01332 -0.24743 665 GLN A N   
390  C CA  . GLN A 88  ? 1.35724 1.48752 0.77254 -0.08353 -0.04698 -0.21520 665 GLN A CA  
391  C C   . GLN A 88  ? 1.30793 1.44754 0.79061 -0.08335 -0.03942 -0.17933 665 GLN A C   
392  O O   . GLN A 88  ? 1.33602 1.48675 0.83572 -0.07395 -0.00761 -0.16474 665 GLN A O   
393  C CB  . GLN A 88  ? 1.42757 1.58083 0.78297 -0.08832 -0.05365 -0.18708 665 GLN A CB  
394  N N   . VAL A 89  ? 1.11247 1.24298 0.64342 -0.09104 -0.06867 -0.16314 666 VAL A N   
395  C CA  . VAL A 89  ? 1.00769 1.14203 0.60410 -0.08815 -0.06608 -0.12565 666 VAL A CA  
396  C C   . VAL A 89  ? 0.90969 1.06185 0.50312 -0.09817 -0.09593 -0.09001 666 VAL A C   
397  O O   . VAL A 89  ? 0.83945 0.99402 0.41072 -0.10885 -0.12765 -0.09783 666 VAL A O   
398  C CB  . VAL A 89  ? 0.95639 1.06761 0.62093 -0.08478 -0.06911 -0.13710 666 VAL A CB  
399  C CG1 . VAL A 89  ? 1.02655 1.12814 0.69893 -0.09711 -0.10402 -0.15135 666 VAL A CG1 
400  C CG2 . VAL A 89  ? 0.81112 0.92804 0.53418 -0.07976 -0.06320 -0.10296 666 VAL A CG2 
401  N N   . VAL A 90  ? 0.85494 1.01882 0.47241 -0.09477 -0.08805 -0.05105 667 VAL A N   
402  C CA  . VAL A 90  ? 0.85094 1.03087 0.46588 -0.10165 -0.11558 -0.01408 667 VAL A CA  
403  C C   . VAL A 90  ? 0.76084 0.93681 0.44438 -0.10068 -0.13860 -0.00375 667 VAL A C   
404  O O   . VAL A 90  ? 0.75202 0.93831 0.43542 -0.10875 -0.17209 0.00251  667 VAL A O   
405  C CB  . VAL A 90  ? 0.86165 1.05246 0.47315 -0.09913 -0.09924 0.02461  667 VAL A CB  
406  C CG1 . VAL A 90  ? 0.84598 1.04957 0.45821 -0.10489 -0.13043 0.06528  667 VAL A CG1 
407  C CG2 . VAL A 90  ? 0.91989 1.12310 0.46612 -0.10104 -0.07279 0.01692  667 VAL A CG2 
408  N N   . GLN A 91  ? 0.71029 0.87522 0.45287 -0.09075 -0.12095 -0.00144 668 GLN A N   
409  C CA  . GLN A 91  ? 0.66230 0.82780 0.47145 -0.08717 -0.13481 0.00773  668 GLN A CA  
410  C C   . GLN A 91  ? 0.65816 0.81343 0.49034 -0.09054 -0.13673 -0.02267 668 GLN A C   
411  O O   . GLN A 91  ? 0.62402 0.76292 0.44052 -0.08917 -0.11774 -0.04917 668 GLN A O   
412  C CB  . GLN A 91  ? 0.58638 0.74553 0.44168 -0.07453 -0.11458 0.02496  668 GLN A CB  
413  C CG  . GLN A 91  ? 0.66743 0.83157 0.51622 -0.07211 -0.11701 0.05941  668 GLN A CG  
414  C CD  . GLN A 91  ? 0.66008 0.81241 0.55575 -0.06040 -0.10040 0.07113  668 GLN A CD  
415  O OE1 . GLN A 91  ? 0.60528 0.74708 0.49934 -0.05754 -0.07571 0.06024  668 GLN A OE1 
416  N NE2 . GLN A 91  ? 0.55570 0.71012 0.49537 -0.05274 -0.11541 0.09193  668 GLN A NE2 
417  N N   . THR A 92  ? 0.58466 0.75080 0.45996 -0.09498 -0.16021 -0.01639 669 THR A N   
418  C CA  . THR A 92  ? 0.55947 0.71745 0.46673 -0.10098 -0.16334 -0.03828 669 THR A CA  
419  C C   . THR A 92  ? 0.54341 0.69010 0.49157 -0.08996 -0.13445 -0.03987 669 THR A C   
420  O O   . THR A 92  ? 0.55419 0.70207 0.51397 -0.07770 -0.11642 -0.02428 669 THR A O   
421  C CB  . THR A 92  ? 0.59783 0.77807 0.55003 -0.10968 -0.19433 -0.02592 669 THR A CB  
422  O OG1 . THR A 92  ? 0.55200 0.74954 0.55888 -0.09715 -0.18780 0.00131  669 THR A OG1 
423  C CG2 . THR A 92  ? 0.60870 0.80348 0.51957 -0.12046 -0.22791 -0.01998 669 THR A CG2 
424  N N   . LEU A 93  ? 0.56686 0.70064 0.53567 -0.09553 -0.13212 -0.05875 670 LEU A N   
425  C CA  . LEU A 93  ? 0.55577 0.68223 0.56299 -0.08683 -0.10870 -0.05660 670 LEU A CA  
426  C C   . LEU A 93  ? 0.47950 0.62817 0.53060 -0.07734 -0.10461 -0.03083 670 LEU A C   
427  O O   . LEU A 93  ? 0.50209 0.64698 0.55933 -0.06452 -0.08345 -0.02446 670 LEU A O   
428  C CB  . LEU A 93  ? 0.58446 0.69874 0.61930 -0.09747 -0.11397 -0.07082 670 LEU A CB  
429  C CG  . LEU A 93  ? 0.53426 0.64339 0.60604 -0.09012 -0.09151 -0.06422 670 LEU A CG  
430  C CD1 . LEU A 93  ? 0.51881 0.60923 0.56228 -0.07713 -0.06754 -0.07282 670 LEU A CD1 
431  C CD2 . LEU A 93  ? 0.52688 0.62406 0.63030 -0.10305 -0.09854 -0.07107 670 LEU A CD2 
432  N N   . GLU A 94  ? 0.51687 0.68982 0.59957 -0.08265 -0.12602 -0.01726 671 GLU A N   
433  C CA  . GLU A 94  ? 0.50024 0.69629 0.63220 -0.07079 -0.12016 0.00350  671 GLU A CA  
434  C C   . GLU A 94  ? 0.43697 0.62990 0.55403 -0.05600 -0.11277 0.01631  671 GLU A C   
435  O O   . GLU A 94  ? 0.42555 0.61976 0.56735 -0.04164 -0.09515 0.02247  671 GLU A O   
436  C CB  . GLU A 94  ? 0.46877 0.69637 0.64410 -0.07867 -0.14579 0.01613  671 GLU A CB  
437  C CG  . GLU A 94  ? 0.65407 0.88738 0.86023 -0.09589 -0.15350 0.00771  671 GLU A CG  
438  C CD  . GLU A 94  ? 0.73446 0.94153 0.89800 -0.11418 -0.17082 -0.01580 671 GLU A CD  
439  O OE1 . GLU A 94  ? 0.64837 0.84217 0.75600 -0.11474 -0.18053 -0.02495 671 GLU A OE1 
440  O OE2 . GLU A 94  ? 0.71741 0.91672 0.90385 -0.12813 -0.17436 -0.02536 671 GLU A OE2 
441  N N   . GLU A 95  ? 0.45129 0.63997 0.52791 -0.06011 -0.12718 0.02113  672 GLU A N   
442  C CA  . GLU A 95  ? 0.48346 0.66587 0.54745 -0.04929 -0.12156 0.03732  672 GLU A CA  
443  C C   . GLU A 95  ? 0.47454 0.63456 0.51884 -0.04326 -0.09352 0.02720  672 GLU A C   
444  O O   . GLU A 95  ? 0.46430 0.61804 0.52724 -0.03137 -0.08200 0.03589  672 GLU A O   
445  C CB  . GLU A 95  ? 0.51812 0.70376 0.53783 -0.05808 -0.14294 0.04866  672 GLU A CB  
446  C CG  . GLU A 95  ? 0.53059 0.74087 0.57395 -0.06166 -0.17553 0.06620  672 GLU A CG  
447  C CD  . GLU A 95  ? 0.58388 0.79858 0.57019 -0.07440 -0.19966 0.07311  672 GLU A CD  
448  O OE1 . GLU A 95  ? 0.60749 0.80831 0.53459 -0.08197 -0.18910 0.05692  672 GLU A OE1 
449  O OE2 . GLU A 95  ? 0.66474 0.89918 0.66487 -0.07585 -0.22904 0.09510  672 GLU A OE2 
450  N N   . ARG A 96  ? 0.50610 0.65351 0.51651 -0.05068 -0.08357 0.00741  673 ARG A N   
451  C CA  . ARG A 96  ? 0.49772 0.62901 0.49547 -0.04479 -0.05907 -0.00023 673 ARG A CA  
452  C C   . ARG A 96  ? 0.51927 0.64776 0.55539 -0.03527 -0.04478 -0.00323 673 ARG A C   
453  O O   . ARG A 96  ? 0.42444 0.54398 0.46359 -0.02744 -0.03064 -0.00128 673 ARG A O   
454  C CB  . ARG A 96  ? 0.51748 0.63828 0.47832 -0.05149 -0.05100 -0.02211 673 ARG A CB  
455  C CG  . ARG A 96  ? 0.53706 0.66258 0.44808 -0.05956 -0.06051 -0.02207 673 ARG A CG  
456  C CD  . ARG A 96  ? 0.60063 0.71611 0.47467 -0.06281 -0.05011 -0.04943 673 ARG A CD  
457  N NE  . ARG A 96  ? 0.61468 0.72323 0.48817 -0.07077 -0.06607 -0.07042 673 ARG A NE  
458  C CZ  . ARG A 96  ? 0.61153 0.70247 0.49897 -0.06962 -0.05808 -0.09238 673 ARG A CZ  
459  N NH1 . ARG A 96  ? 0.55323 0.63505 0.45600 -0.05963 -0.03502 -0.09545 673 ARG A NH1 
460  N NH2 . ARG A 96  ? 0.56583 0.64706 0.45446 -0.07953 -0.07617 -0.11042 673 ARG A NH2 
461  N N   . THR A 97  ? 0.45657 0.59453 0.52154 -0.03722 -0.04911 -0.00698 674 THR A N   
462  C CA  . THR A 97  ? 0.43988 0.58033 0.53563 -0.02905 -0.03431 -0.00808 674 THR A CA  
463  C C   . THR A 97  ? 0.43341 0.58430 0.55710 -0.01557 -0.03232 0.00392  674 THR A C   
464  O O   . THR A 97  ? 0.44167 0.58772 0.57333 -0.00537 -0.01713 0.00043  674 THR A O   
465  C CB  . THR A 97  ? 0.41686 0.56812 0.53732 -0.03757 -0.03870 -0.01101 674 THR A CB  
466  O OG1 . THR A 97  ? 0.46613 0.60014 0.56294 -0.04878 -0.04210 -0.02568 674 THR A OG1 
467  C CG2 . THR A 97  ? 0.35702 0.51567 0.50424 -0.03018 -0.02111 -0.00838 674 THR A CG2 
468  N N   . GLU A 98  ? 0.41457 0.57876 0.55327 -0.01426 -0.04886 0.01681  675 GLU A N   
469  C CA  . GLU A 98  ? 0.45273 0.62553 0.62602 0.00179  -0.04710 0.02598  675 GLU A CA  
470  C C   . GLU A 98  ? 0.44893 0.59779 0.60725 0.00992  -0.04180 0.02788  675 GLU A C   
471  O O   . GLU A 98  ? 0.42823 0.57198 0.60704 0.02436  -0.03231 0.02434  675 GLU A O   
472  C CB  . GLU A 98  ? 0.42197 0.61701 0.62414 0.00261  -0.06869 0.04172  675 GLU A CB  
473  C CG  . GLU A 98  ? 0.50265 0.71205 0.75356 0.02266  -0.06376 0.04749  675 GLU A CG  
474  C CD  . GLU A 98  ? 0.60292 0.84490 0.89802 0.02467  -0.08279 0.06237  675 GLU A CD  
475  O OE1 . GLU A 98  ? 0.70260 0.95597 0.98841 0.00776  -0.10279 0.06801  675 GLU A OE1 
476  O OE2 . GLU A 98  ? 0.63100 0.88818 0.97228 0.04401  -0.07880 0.06706  675 GLU A OE2 
477  N N   . THR A 99  ? 0.42731 0.56202 0.55065 0.00031  -0.04770 0.03308  676 THR A N   
478  C CA  . THR A 99  ? 0.43175 0.54468 0.54525 0.00390  -0.04185 0.03717  676 THR A CA  
479  C C   . THR A 99  ? 0.44440 0.54616 0.55748 0.00851  -0.02308 0.02002  676 THR A C   
480  O O   . THR A 99  ? 0.38993 0.47800 0.51799 0.01830  -0.01921 0.01761  676 THR A O   
481  C CB  . THR A 99  ? 0.47641 0.58366 0.55047 -0.00952 -0.04577 0.04625  676 THR A CB  
482  O OG1 . THR A 99  ? 0.41729 0.53774 0.48340 -0.01517 -0.06564 0.06133  676 THR A OG1 
483  C CG2 . THR A 99  ? 0.45514 0.54354 0.52911 -0.00859 -0.04279 0.05832  676 THR A CG2 
484  N N   . LEU A 100 ? 0.41867 0.52464 0.51560 0.00178  -0.01373 0.00747  677 LEU A N   
485  C CA  . LEU A 100 ? 0.42431 0.52145 0.51731 0.00473  0.00079  -0.00542 677 LEU A CA  
486  C C   . LEU A 100 ? 0.42935 0.53034 0.54476 0.01763  0.00711  -0.01198 677 LEU A C   
487  O O   . LEU A 100 ? 0.45922 0.54966 0.57096 0.02259  0.01447  -0.02108 677 LEU A O   
488  C CB  . LEU A 100 ? 0.40396 0.50448 0.48171 -0.00322 0.00693  -0.01464 677 LEU A CB  
489  C CG  . LEU A 100 ? 0.44382 0.53855 0.49469 -0.01216 0.00728  -0.01519 677 LEU A CG  
490  C CD1 . LEU A 100 ? 0.44991 0.54545 0.48937 -0.01819 0.00927  -0.02661 677 LEU A CD1 
491  C CD2 . LEU A 100 ? 0.43232 0.51780 0.48021 -0.01059 0.01665  -0.01649 677 LEU A CD2 
492  N N   . LYS A 101 ? 0.38767 0.50686 0.52630 0.02320  0.00438  -0.00817 678 LYS A N   
493  C CA  . LYS A 101 ? 0.42173 0.55070 0.58188 0.03798  0.01399  -0.01497 678 LYS A CA  
494  C C   . LYS A 101 ? 0.44732 0.55657 0.61460 0.05102  0.01268  -0.02045 678 LYS A C   
495  O O   . LYS A 101 ? 0.46382 0.57281 0.63533 0.06370  0.02303  -0.03425 678 LYS A O   
496  C CB  . LYS A 101 ? 0.39890 0.55675 0.59181 0.04180  0.01086  -0.00662 678 LYS A CB  
497  C CG  . LYS A 101 ? 0.51337 0.68870 0.73225 0.05975  0.02442  -0.01348 678 LYS A CG  
498  C CD  . LYS A 101 ? 0.47126 0.68251 0.73133 0.06255  0.02199  -0.00244 678 LYS A CD  
499  C CE  . LYS A 101 ? 0.53841 0.75131 0.83207 0.07845  0.01139  0.00297  678 LYS A CE  
500  N NZ  . LYS A 101 ? 0.51516 0.77070 0.85881 0.08965  0.01776  0.00837  678 LYS A NZ  
501  N N   . HIS A 102 ? 0.42284 0.51489 0.59145 0.04809  -0.00052 -0.00973 679 HIS A N   
502  C CA  . HIS A 102 ? 0.40117 0.46880 0.58412 0.05921  -0.00522 -0.01278 679 HIS A CA  
503  C C   . HIS A 102 ? 0.41183 0.45369 0.57508 0.05154  -0.00418 -0.02005 679 HIS A C   
504  O O   . HIS A 102 ? 0.43957 0.45554 0.61572 0.05678  -0.01111 -0.02228 679 HIS A O   
505  C CB  . HIS A 102 ? 0.36863 0.43025 0.57019 0.05968  -0.02238 0.00839  679 HIS A CB  
506  C CG  . HIS A 102 ? 0.38668 0.47366 0.62045 0.07116  -0.02702 0.01502  679 HIS A CG  
507  N ND1 . HIS A 102 ? 0.45705 0.57231 0.68842 0.06111  -0.03208 0.02527  679 HIS A ND1 
508  C CD2 . HIS A 102 ? 0.34455 0.43506 0.61803 0.09229  -0.02745 0.01137  679 HIS A CD2 
509  C CE1 . HIS A 102 ? 0.33502 0.47348 0.60623 0.07367  -0.03681 0.03076  679 HIS A CE1 
510  N NE2 . HIS A 102 ? 0.46376 0.58907 0.76234 0.09418  -0.03288 0.02304  679 HIS A NE2 
511  N N   . ILE A 103 ? 0.39355 0.44163 0.53176 0.03951  0.00278  -0.02350 680 ILE A N   
512  C CA  . ILE A 103 ? 0.43924 0.47077 0.56480 0.02985  0.00239  -0.02630 680 ILE A CA  
513  C C   . ILE A 103 ? 0.45189 0.47991 0.57094 0.03652  0.00851  -0.04722 680 ILE A C   
514  O O   . ILE A 103 ? 0.41362 0.45960 0.52229 0.04007  0.01782  -0.05423 680 ILE A O   
515  C CB  . ILE A 103 ? 0.43364 0.47686 0.53959 0.01507  0.00620  -0.01760 680 ILE A CB  
516  C CG1 . ILE A 103 ? 0.39154 0.44018 0.49365 0.00800  -0.00060 0.00150  680 ILE A CG1 
517  C CG2 . ILE A 103 ? 0.39935 0.43394 0.50066 0.00604  0.00799  -0.01993 680 ILE A CG2 
518  C CD1 . ILE A 103 ? 0.36540 0.39618 0.47973 0.00537  -0.01109 0.01836  680 ILE A CD1 
519  N N   . ARG A 104 ? 0.45700 0.46143 0.58162 0.03678  0.00146  -0.05582 681 ARG A N   
520  C CA  . ARG A 104 ? 0.44132 0.43927 0.55618 0.04416  0.00278  -0.07886 681 ARG A CA  
521  C C   . ARG A 104 ? 0.46158 0.47797 0.55423 0.03757  0.00915  -0.08150 681 ARG A C   
522  O O   . ARG A 104 ? 0.45343 0.47926 0.52987 0.04572  0.01493  -0.09484 681 ARG A O   
523  C CB  . ARG A 104 ? 0.49985 0.46590 0.62656 0.03983  -0.01110 -0.08638 681 ARG A CB  
524  C CG  . ARG A 104 ? 0.55036 0.50433 0.66385 0.04680  -0.01506 -0.11473 681 ARG A CG  
525  C CD  . ARG A 104 ? 0.54278 0.46434 0.67198 0.03617  -0.03310 -0.12047 681 ARG A CD  
526  N NE  . ARG A 104 ? 0.60033 0.49332 0.76003 0.03757  -0.04198 -0.11130 681 ARG A NE  
527  C CZ  . ARG A 104 ? 0.65221 0.52002 0.82435 0.05512  -0.04603 -0.12914 681 ARG A CZ  
528  N NH1 . ARG A 104 ? 0.66052 0.53264 0.81332 0.07370  -0.03836 -0.15906 681 ARG A NH1 
529  N NH2 . ARG A 104 ? 0.62297 0.46133 0.82833 0.05501  -0.05732 -0.11578 681 ARG A NH2 
530  N N   . TRP A 105 ? 0.40168 0.42367 0.49372 0.02381  0.00823  -0.06857 682 TRP A N   
531  C CA  . TRP A 105 ? 0.44346 0.47878 0.52240 0.01920  0.01109  -0.07063 682 TRP A CA  
532  C C   . TRP A 105 ? 0.46088 0.51573 0.52889 0.02268  0.02157  -0.06623 682 TRP A C   
533  O O   . TRP A 105 ? 0.39331 0.45711 0.45139 0.02152  0.02303  -0.06671 682 TRP A O   
534  C CB  . TRP A 105 ? 0.42216 0.46018 0.51109 0.00603  0.00903  -0.05941 682 TRP A CB  
535  C CG  . TRP A 105 ? 0.41904 0.43998 0.52578 -0.00133 0.00031  -0.05464 682 TRP A CG  
536  C CD1 . TRP A 105 ? 0.41131 0.43073 0.52742 -0.00870 0.00177  -0.03742 682 TRP A CD1 
537  C CD2 . TRP A 105 ? 0.41849 0.41911 0.53550 -0.00303 -0.01294 -0.06597 682 TRP A CD2 
538  N NE1 . TRP A 105 ? 0.42960 0.42904 0.56508 -0.01561 -0.00891 -0.03316 682 TRP A NE1 
539  C CE2 . TRP A 105 ? 0.42265 0.40815 0.56148 -0.01269 -0.01896 -0.05222 682 TRP A CE2 
540  C CE3 . TRP A 105 ? 0.47333 0.46651 0.58108 0.00149  -0.02185 -0.08641 682 TRP A CE3 
541  C CZ2 . TRP A 105 ? 0.42074 0.37994 0.57922 -0.01871 -0.03443 -0.05850 682 TRP A CZ2 
542  C CZ3 . TRP A 105 ? 0.47461 0.44210 0.59645 -0.00334 -0.03796 -0.09749 682 TRP A CZ3 
543  C CH2 . TRP A 105 ? 0.48367 0.43267 0.63433 -0.01404 -0.04463 -0.08346 682 TRP A CH2 
544  N N   . VAL A 106 ? 0.44982 0.51133 0.52312 0.02588  0.02656  -0.06003 683 VAL A N   
545  C CA  . VAL A 106 ? 0.41447 0.49266 0.48463 0.02459  0.03390  -0.05327 683 VAL A CA  
546  C C   . VAL A 106 ? 0.41080 0.50194 0.47560 0.03374  0.04144  -0.05814 683 VAL A C   
547  O O   . VAL A 106 ? 0.42179 0.51619 0.49400 0.04362  0.04441  -0.06374 683 VAL A O   
548  C CB  . VAL A 106 ? 0.43986 0.52226 0.51996 0.02099  0.03245  -0.04386 683 VAL A CB  
549  C CG1 . VAL A 106 ? 0.47278 0.56975 0.55460 0.01754  0.03685  -0.03874 683 VAL A CG1 
550  C CG2 . VAL A 106 ? 0.42180 0.49574 0.49860 0.01174  0.02801  -0.03820 683 VAL A CG2 
551  N N   . ASP A 107 ? 0.44296 0.54310 0.49604 0.03146  0.04543  -0.05476 684 ASP A N   
552  C CA  . ASP A 107 ? 0.41013 0.52772 0.45348 0.03844  0.05517  -0.05509 684 ASP A CA  
553  C C   . ASP A 107 ? 0.37538 0.51157 0.43296 0.03390  0.06318  -0.04025 684 ASP A C   
554  O O   . ASP A 107 ? 0.39996 0.55662 0.46398 0.04022  0.07383  -0.03866 684 ASP A O   
555  C CB  . ASP A 107 ? 0.41537 0.53373 0.43498 0.03773  0.05275  -0.05571 684 ASP A CB  
556  C CG  . ASP A 107 ? 0.47775 0.57992 0.48583 0.04033  0.04158  -0.07196 684 ASP A CG  
557  O OD1 . ASP A 107 ? 0.47288 0.56805 0.47870 0.04883  0.04173  -0.08781 684 ASP A OD1 
558  O OD2 . ASP A 107 ? 0.45945 0.55536 0.46560 0.03393  0.03143  -0.06935 684 ASP A OD2 
559  N N   . GLU A 108 ? 0.43833 0.56832 0.50396 0.02302  0.05831  -0.03049 685 GLU A N   
560  C CA  . GLU A 108 ? 0.41411 0.55615 0.49650 0.01514  0.06158  -0.01713 685 GLU A CA  
561  C C   . GLU A 108 ? 0.38339 0.51110 0.47610 0.00616  0.05190  -0.01798 685 GLU A C   
562  O O   . GLU A 108 ? 0.38859 0.49961 0.47184 0.00557  0.04654  -0.02507 685 GLU A O   
563  C CB  . GLU A 108 ? 0.40314 0.54981 0.47867 0.01063  0.06544  -0.00381 685 GLU A CB  
564  C CG  . GLU A 108 ? 0.47803 0.64074 0.53103 0.01955  0.07471  -0.00398 685 GLU A CG  
565  C CD  . GLU A 108 ? 0.52734 0.69793 0.56935 0.01442  0.07764  0.01518  685 GLU A CD  
566  O OE1 . GLU A 108 ? 0.51379 0.66892 0.56625 0.00599  0.06928  0.02625  685 GLU A OE1 
567  O OE2 . GLU A 108 ? 0.55401 0.74640 0.57610 0.01972  0.08863  0.01952  685 GLU A OE2 
568  N N   . ILE A 109 ? 0.38825 0.52533 0.50037 -0.00115 0.04964  -0.01147 686 ILE A N   
569  C CA  . ILE A 109 ? 0.39062 0.51455 0.50600 -0.01021 0.03867  -0.01552 686 ILE A CA  
570  C C   . ILE A 109 ? 0.40596 0.52816 0.53759 -0.02227 0.03506  -0.00810 686 ILE A C   
571  O O   . ILE A 109 ? 0.36270 0.50442 0.51493 -0.02647 0.03928  0.00476  686 ILE A O   
572  C CB  . ILE A 109 ? 0.45799 0.59068 0.58113 -0.00965 0.03135  -0.01696 686 ILE A CB  
573  C CG1 . ILE A 109 ? 0.38691 0.51300 0.49718 0.00040  0.03203  -0.02263 686 ILE A CG1 
574  C CG2 . ILE A 109 ? 0.45042 0.57307 0.57027 -0.02102 0.01833  -0.02126 686 ILE A CG2 
575  C CD1 . ILE A 109 ? 0.43893 0.57363 0.56155 0.00335  0.02391  -0.01887 686 ILE A CD1 
576  N N   . ILE A 110 ? 0.40021 0.49924 0.52537 -0.02777 0.02805  -0.01637 687 ILE A N   
577  C CA  . ILE A 110 ? 0.41553 0.50355 0.55790 -0.04058 0.01944  -0.01482 687 ILE A CA  
578  C C   . ILE A 110 ? 0.43317 0.51388 0.56794 -0.04676 0.00665  -0.02952 687 ILE A C   
579  O O   . ILE A 110 ? 0.40206 0.46790 0.51312 -0.04225 0.00620  -0.04453 687 ILE A O   
580  C CB  . ILE A 110 ? 0.46241 0.52523 0.60456 -0.04003 0.01992  -0.01603 687 ILE A CB  
581  C CG1 . ILE A 110 ? 0.41153 0.48358 0.55454 -0.03426 0.02957  0.00127  687 ILE A CG1 
582  C CG2 . ILE A 110 ? 0.45447 0.49880 0.61884 -0.05386 0.00871  -0.01587 687 ILE A CG2 
583  C CD1 . ILE A 110 ? 0.46421 0.51212 0.61202 -0.03243 0.02688  0.00444  687 ILE A CD1 
584  N N   . SER A 111 ? 0.43095 0.52604 0.58566 -0.05741 -0.00383 -0.02428 688 SER A N   
585  C CA  . SER A 111 ? 0.40896 0.50240 0.55317 -0.06426 -0.02000 -0.03606 688 SER A CA  
586  C C   . SER A 111 ? 0.46543 0.56250 0.63901 -0.08196 -0.03684 -0.03323 688 SER A C   
587  O O   . SER A 111 ? 0.37860 0.50410 0.58676 -0.08669 -0.03708 -0.01560 688 SER A O   
588  C CB  . SER A 111 ? 0.40978 0.52571 0.54773 -0.05615 -0.02009 -0.03001 688 SER A CB  
589  O OG  . SER A 111 ? 0.44232 0.56221 0.57138 -0.06397 -0.03893 -0.03519 688 SER A OG  
590  N N   . PRO A 112 ? 0.48581 0.55593 0.64918 -0.09226 -0.05148 -0.05170 689 PRO A N   
591  C CA  . PRO A 112 ? 0.50325 0.54417 0.62832 -0.08466 -0.04813 -0.07500 689 PRO A CA  
592  C C   . PRO A 112 ? 0.50833 0.52735 0.64059 -0.07691 -0.03409 -0.07459 689 PRO A C   
593  O O   . PRO A 112 ? 0.47111 0.48827 0.63582 -0.08326 -0.03344 -0.05868 689 PRO A O   
594  C CB  . PRO A 112 ? 0.52810 0.54949 0.64537 -0.09892 -0.07046 -0.09671 689 PRO A CB  
595  C CG  . PRO A 112 ? 0.52988 0.55640 0.69622 -0.11629 -0.08329 -0.08193 689 PRO A CG  
596  C CD  . PRO A 112 ? 0.50660 0.57519 0.69714 -0.11227 -0.07342 -0.05332 689 PRO A CD  
597  N N   . CYS A 113 ? 0.48731 0.49291 0.59228 -0.06381 -0.02340 -0.08914 690 CYS A N   
598  C CA  . CYS A 113 ? 0.50796 0.49297 0.62346 -0.05518 -0.01373 -0.08966 690 CYS A CA  
599  C C   . CYS A 113 ? 0.57241 0.52231 0.68340 -0.05525 -0.02059 -0.11669 690 CYS A C   
600  O O   . CYS A 113 ? 0.60624 0.55032 0.69236 -0.05931 -0.02906 -0.13937 690 CYS A O   
601  C CB  . CYS A 113 ? 0.48032 0.47705 0.57914 -0.03921 0.00300  -0.08709 690 CYS A CB  
602  S SG  . CYS A 113 ? 0.53936 0.53665 0.59899 -0.03165 0.00896  -0.11165 690 CYS A SG  
603  N N   . PRO A 114 ? 0.61874 0.54368 0.75209 -0.04960 -0.01792 -0.11593 691 PRO A N   
604  C CA  . PRO A 114 ? 0.63191 0.51976 0.76370 -0.04446 -0.02228 -0.14601 691 PRO A CA  
605  C C   . PRO A 114 ? 0.60871 0.50442 0.70373 -0.02908 -0.00841 -0.17077 691 PRO A C   
606  O O   . PRO A 114 ? 0.59219 0.51621 0.67450 -0.02042 0.00595  -0.15929 691 PRO A O   
607  C CB  . PRO A 114 ? 0.63375 0.49951 0.80187 -0.03714 -0.01985 -0.13169 691 PRO A CB  
608  C CG  . PRO A 114 ? 0.63270 0.52085 0.82092 -0.04773 -0.02059 -0.09306 691 PRO A CG  
609  C CD  . PRO A 114 ? 0.56993 0.49861 0.73095 -0.04720 -0.01224 -0.08711 691 PRO A CD  
610  N N   . TRP A 115 ? 0.63819 0.50909 0.71591 -0.02665 -0.01273 -0.20574 692 TRP A N   
611  C CA  . TRP A 115 ? 0.72281 0.60503 0.76390 -0.01177 0.00413  -0.22988 692 TRP A CA  
612  C C   . TRP A 115 ? 0.74406 0.62356 0.80782 0.00968  0.02275  -0.23103 692 TRP A C   
613  O O   . TRP A 115 ? 0.73563 0.64458 0.78539 0.02063  0.04156  -0.22834 692 TRP A O   
614  C CB  . TRP A 115 ? 0.76610 0.62486 0.77517 -0.01441 -0.00500 -0.27078 692 TRP A CB  
615  C CG  . TRP A 115 ? 0.80766 0.68517 0.77056 -0.00049 0.01507  -0.29495 692 TRP A CG  
616  C CD1 . TRP A 115 ? 0.84111 0.70428 0.79805 0.01917  0.03139  -0.32810 692 TRP A CD1 
617  C CD2 . TRP A 115 ? 0.78449 0.70105 0.70323 -0.00489 0.02249  -0.28540 692 TRP A CD2 
618  N NE1 . TRP A 115 ? 0.81683 0.71266 0.72621 0.02628  0.05108  -0.33919 692 TRP A NE1 
619  C CE2 . TRP A 115 ? 0.83402 0.76131 0.71884 0.01052  0.04482  -0.31122 692 TRP A CE2 
620  C CE3 . TRP A 115 ? 0.75461 0.69827 0.66239 -0.01944 0.01278  -0.25617 692 TRP A CE3 
621  C CZ2 . TRP A 115 ? 0.85874 0.82327 0.69657 0.00873  0.05718  -0.30475 692 TRP A CZ2 
622  C CZ3 . TRP A 115 ? 0.74505 0.72021 0.60952 -0.01977 0.02223  -0.25074 692 TRP A CZ3 
623  C CH2 . TRP A 115 ? 0.82744 0.81315 0.65606 -0.00722 0.04412  -0.27289 692 TRP A CH2 
624  N N   . VAL A 116 ? 0.70574 0.55148 0.80950 0.01511  0.01631  -0.23199 693 VAL A N   
625  C CA  . VAL A 116 ? 0.72381 0.56613 0.85872 0.03635  0.02941  -0.22968 693 VAL A CA  
626  C C   . VAL A 116 ? 0.69670 0.54066 0.86875 0.03191  0.02167  -0.18940 693 VAL A C   
627  O O   . VAL A 116 ? 0.70875 0.52984 0.90040 0.01771  0.00498  -0.17515 693 VAL A O   
628  C CB  . VAL A 116 ? 0.76316 0.56177 0.91640 0.05080  0.02777  -0.26456 693 VAL A CB  
629  C CG1 . VAL A 116 ? 0.78666 0.58948 0.97612 0.07658  0.04285  -0.26245 693 VAL A CG1 
630  C CG2 . VAL A 116 ? 0.76588 0.55871 0.87299 0.05254  0.03244  -0.30924 693 VAL A CG2 
631  N N   . VAL A 117 ? 0.67394 0.54648 0.85548 0.04297  0.03327  -0.17054 694 VAL A N   
632  C CA  . VAL A 117 ? 0.62833 0.50334 0.83940 0.04178  0.02593  -0.13493 694 VAL A CA  
633  C C   . VAL A 117 ? 0.66998 0.50670 0.92374 0.05254  0.01726  -0.13463 694 VAL A C   
634  O O   . VAL A 117 ? 0.71959 0.53988 0.98759 0.07077  0.02388  -0.16163 694 VAL A O   
635  C CB  . VAL A 117 ? 0.68941 0.60349 0.89856 0.05061  0.03691  -0.11947 694 VAL A CB  
636  C CG1 . VAL A 117 ? 0.58920 0.50702 0.82001 0.04891  0.02689  -0.08420 694 VAL A CG1 
637  C CG2 . VAL A 117 ? 0.58916 0.53479 0.76046 0.04033  0.04413  -0.11958 694 VAL A CG2 
638  N N   . THR A 118 ? 0.67271 0.49591 0.94875 0.04236  0.00332  -0.10284 695 THR A N   
639  C CA  . THR A 118 ? 0.66309 0.44813 0.98378 0.05030  -0.00841 -0.09233 695 THR A CA  
640  C C   . THR A 118 ? 0.62933 0.43235 0.96569 0.05115  -0.01386 -0.04861 695 THR A C   
641  O O   . THR A 118 ? 0.60394 0.44139 0.91457 0.03975  -0.01118 -0.02681 695 THR A O   
642  C CB  . THR A 118 ? 0.70651 0.44865 1.04296 0.03245  -0.02483 -0.09187 695 THR A CB  
643  O OG1 . THR A 118 ? 0.64750 0.41194 0.96968 0.00870  -0.02905 -0.06186 695 THR A OG1 
644  C CG2 . THR A 118 ? 0.72784 0.44536 1.04840 0.03208  -0.02466 -0.13941 695 THR A CG2 
645  N N   . PRO A 119 ? 0.66600 0.44538 1.04383 0.06544  -0.02286 -0.03549 696 PRO A N   
646  C CA  . PRO A 119 ? 0.67696 0.47058 1.06655 0.06378  -0.03291 0.01064  696 PRO A CA  
647  C C   . PRO A 119 ? 0.64915 0.44539 1.02369 0.03835  -0.03969 0.04369  696 PRO A C   
648  O O   . PRO A 119 ? 0.59331 0.42589 0.94296 0.03175  -0.03774 0.07036  696 PRO A O   
649  C CB  . PRO A 119 ? 0.63774 0.39212 1.08134 0.08149  -0.04563 0.01777  696 PRO A CB  
650  C CG  . PRO A 119 ? 0.71464 0.44901 1.17209 0.10025  -0.03550 -0.03125 696 PRO A CG  
651  C CD  . PRO A 119 ? 0.70440 0.44174 1.12012 0.08463  -0.02546 -0.06231 696 PRO A CD  
652  N N   . GLU A 120 ? 0.66271 0.42227 1.05364 0.02367  -0.04749 0.04158  697 GLU A N   
653  C CA  . GLU A 120 ? 0.61480 0.38229 0.99929 -0.00199 -0.05162 0.07476  697 GLU A CA  
654  C C   . GLU A 120 ? 0.60045 0.41710 0.93980 -0.01181 -0.03761 0.07135  697 GLU A C   
655  O O   . GLU A 120 ? 0.65019 0.49578 0.97514 -0.02376 -0.03464 0.10417  697 GLU A O   
656  C CB  . GLU A 120 ? 0.70248 0.42541 1.11516 -0.01857 -0.06283 0.06557  697 GLU A CB  
657  C CG  . GLU A 120 ? 0.76657 0.43410 1.23098 -0.01368 -0.08011 0.07867  697 GLU A CG  
658  C CD  . GLU A 120 ? 0.82002 0.45798 1.30183 0.01488  -0.08006 0.03906  697 GLU A CD  
659  O OE1 . GLU A 120 ? 0.76341 0.42448 1.21443 0.02690  -0.06546 0.00017  697 GLU A OE1 
660  O OE2 . GLU A 120 ? 0.92416 0.52320 1.44707 0.02556  -0.09271 0.04779  697 GLU A OE2 
661  N N   . PHE A 121 ? 0.61024 0.43679 0.92691 -0.00637 -0.02840 0.03226  698 PHE A N   
662  C CA  . PHE A 121 ? 0.54699 0.41482 0.82641 -0.01446 -0.01725 0.02844  698 PHE A CA  
663  C C   . PHE A 121 ? 0.62200 0.52709 0.87892 -0.00608 -0.01011 0.04631  698 PHE A C   
664  O O   . PHE A 121 ? 0.53842 0.47437 0.77329 -0.01511 -0.00411 0.06197  698 PHE A O   
665  C CB  . PHE A 121 ? 0.56116 0.42885 0.82140 -0.00967 -0.01119 -0.01338 698 PHE A CB  
666  C CG  . PHE A 121 ? 0.53841 0.44523 0.76392 -0.01472 -0.00141 -0.01766 698 PHE A CG  
667  C CD1 . PHE A 121 ? 0.53275 0.44868 0.75309 -0.03169 -0.00401 -0.01643 698 PHE A CD1 
668  C CD2 . PHE A 121 ? 0.56003 0.49336 0.76400 -0.00248 0.00859  -0.02299 698 PHE A CD2 
669  C CE1 . PHE A 121 ? 0.51038 0.45956 0.70475 -0.03363 0.00349  -0.01992 698 PHE A CE1 
670  C CE2 . PHE A 121 ? 0.49602 0.45890 0.67251 -0.00651 0.01572  -0.02669 698 PHE A CE2 
671  C CZ  . PHE A 121 ? 0.55814 0.52796 0.72988 -0.02071 0.01330  -0.02518 698 PHE A CZ  
672  N N   . LEU A 122 ? 0.53238 0.43593 0.79690 0.01176  -0.01140 0.04257  699 LEU A N   
673  C CA  . LEU A 122 ? 0.54318 0.47956 0.78890 0.01838  -0.00982 0.05827  699 LEU A CA  
674  C C   . LEU A 122 ? 0.57969 0.52486 0.82077 0.00937  -0.01632 0.09870  699 LEU A C   
675  O O   . LEU A 122 ? 0.52145 0.49883 0.73092 0.00680  -0.01220 0.10986  699 LEU A O   
676  C CB  . LEU A 122 ? 0.58332 0.51725 0.85017 0.03800  -0.01364 0.05046  699 LEU A CB  
677  C CG  . LEU A 122 ? 0.59915 0.53248 0.86937 0.04861  -0.00290 0.01254  699 LEU A CG  
678  C CD1 . LEU A 122 ? 0.63190 0.57382 0.93031 0.06855  -0.00443 0.00928  699 LEU A CD1 
679  C CD2 . LEU A 122 ? 0.50322 0.46432 0.73624 0.04064  0.00843  -0.00190 699 LEU A CD2 
680  N N   . GLU A 123 ? 0.56677 0.48269 0.83828 0.00480  -0.02663 0.12120  700 GLU A N   
681  C CA  . GLU A 123 ? 0.58938 0.51519 0.85577 -0.00535 -0.03198 0.16553  700 GLU A CA  
682  C C   . GLU A 123 ? 0.63455 0.58328 0.88041 -0.02425 -0.02014 0.17534  700 GLU A C   
683  O O   . GLU A 123 ? 0.67007 0.65363 0.88398 -0.02814 -0.01340 0.19585  700 GLU A O   
684  C CB  . GLU A 123 ? 0.62215 0.50679 0.93293 -0.00650 -0.04731 0.19045  700 GLU A CB  
685  C CG  . GLU A 123 ? 0.75202 0.64763 1.05741 -0.01448 -0.05526 0.24314  700 GLU A CG  
686  C CD  . GLU A 123 ? 0.84948 0.76926 1.13415 0.00063  -0.06337 0.25544  700 GLU A CD  
687  O OE1 . GLU A 123 ? 0.84477 0.76346 1.13875 0.01854  -0.06621 0.22673  700 GLU A OE1 
688  O OE2 . GLU A 123 ? 0.87688 0.81963 1.13576 -0.00627 -0.06719 0.29444  700 GLU A OE2 
689  N N   . LYS A 124 ? 0.58624 0.51812 0.85088 -0.03548 -0.01777 0.15946  701 LYS A N   
690  C CA  . LYS A 124 ? 0.58698 0.54441 0.84375 -0.05328 -0.00739 0.16967  701 LYS A CA  
691  C C   . LYS A 124 ? 0.55648 0.55936 0.77041 -0.04756 0.00741  0.16112  701 LYS A C   
692  O O   . LYS A 124 ? 0.56846 0.60400 0.76530 -0.05450 0.01752  0.18535  701 LYS A O   
693  C CB  . LYS A 124 ? 0.57283 0.50951 0.85242 -0.06335 -0.01042 0.14341  701 LYS A CB  
694  C CG  . LYS A 124 ? 0.62917 0.59195 0.91720 -0.08391 -0.00348 0.15844  701 LYS A CG  
695  C CD  . LYS A 124 ? 0.52730 0.47029 0.83679 -0.09437 -0.01198 0.13041  701 LYS A CD  
696  C CE  . LYS A 124 ? 0.70891 0.67139 1.04762 -0.11892 -0.01146 0.15362  701 LYS A CE  
697  N NZ  . LYS A 124 ? 0.61859 0.63890 0.93743 -0.11875 0.00824  0.17039  701 LYS A NZ  
698  N N   . TYR A 125 ? 0.53725 0.54243 0.73438 -0.03468 0.00962  0.12658  702 TYR A N   
699  C CA  . TYR A 125 ? 0.52582 0.56523 0.68800 -0.02884 0.02099  0.11330  702 TYR A CA  
700  C C   . TYR A 125 ? 0.51328 0.56664 0.64804 -0.01669 0.01877  0.11768  702 TYR A C   
701  O O   . TYR A 125 ? 0.49138 0.56722 0.59796 -0.01121 0.02560  0.10353  702 TYR A O   
702  C CB  . TYR A 125 ? 0.47977 0.51403 0.64019 -0.02460 0.02299  0.07748  702 TYR A CB  
703  C CG  . TYR A 125 ? 0.57535 0.60309 0.75556 -0.03767 0.02258  0.07136  702 TYR A CG  
704  C CD1 . TYR A 125 ? 0.55993 0.55295 0.76638 -0.04303 0.01195  0.06296  702 TYR A CD1 
705  C CD2 . TYR A 125 ? 0.52905 0.58583 0.70460 -0.04430 0.03122  0.07330  702 TYR A CD2 
706  C CE1 . TYR A 125 ? 0.58216 0.56908 0.80619 -0.05738 0.00716  0.05602  702 TYR A CE1 
707  C CE2 . TYR A 125 ? 0.54103 0.59621 0.73959 -0.05755 0.02725  0.06978  702 TYR A CE2 
708  C CZ  . TYR A 125 ? 0.56082 0.58082 0.78188 -0.06543 0.01383  0.06110  702 TYR A CZ  
709  O OH  . TYR A 125 ? 0.57878 0.59647 0.82200 -0.08066 0.00559  0.05587  702 TYR A OH  
710  N N   . LYS A 126 ? 0.54671 0.58608 0.69168 -0.01259 0.00687  0.13702  703 LYS A N   
711  C CA  . LYS A 126 ? 0.53171 0.58641 0.65269 -0.00300 -0.00048 0.14510  703 LYS A CA  
712  C C   . LYS A 126 ? 0.52041 0.57985 0.63392 0.00799  -0.00148 0.11277  703 LYS A C   
713  O O   . LYS A 126 ? 0.53584 0.61696 0.61881 0.01152  -0.00188 0.10665  703 LYS A O   
714  C CB  . LYS A 126 ? 0.59323 0.68078 0.67377 -0.00799 0.00713  0.16433  703 LYS A CB  
715  C CG  . LYS A 126 ? 0.60604 0.69754 0.69466 -0.02179 0.01306  0.19983  703 LYS A CG  
716  C CD  . LYS A 126 ? 0.78693 0.91264 0.83089 -0.02350 0.01841  0.22528  703 LYS A CD  
717  C CE  . LYS A 126 ? 0.82547 0.97546 0.86802 -0.03710 0.03786  0.24728  703 LYS A CE  
718  N NZ  . LYS A 126 ? 0.87647 1.00366 0.96463 -0.05187 0.03254  0.27931  703 LYS A NZ  
719  N N   . ILE A 127 ? 0.54376 0.58277 0.68525 0.01267  -0.00184 0.09173  704 ILE A N   
720  C CA  . ILE A 127 ? 0.47132 0.51666 0.61100 0.02051  0.00045  0.06382  704 ILE A CA  
721  C C   . ILE A 127 ? 0.43846 0.48624 0.59512 0.03159  -0.01197 0.06822  704 ILE A C   
722  O O   . ILE A 127 ? 0.49135 0.52136 0.68008 0.03803  -0.01919 0.07743  704 ILE A O   
723  C CB  . ILE A 127 ? 0.50602 0.53423 0.66250 0.02008  0.00831  0.04006  704 ILE A CB  
724  C CG1 . ILE A 127 ? 0.49384 0.52755 0.63391 0.00910  0.01729  0.03492  704 ILE A CG1 
725  C CG2 . ILE A 127 ? 0.49808 0.53320 0.65947 0.02874  0.01148  0.01748  704 ILE A CG2 
726  C CD1 . ILE A 127 ? 0.49646 0.51041 0.65105 0.00483  0.01961  0.01814  704 ILE A CD1 
727  N N   . ASP A 128 ? 0.47856 0.54779 0.61860 0.03401  -0.01618 0.06134  705 ASP A N   
728  C CA  . ASP A 128 ? 0.43519 0.51364 0.59582 0.04292  -0.03082 0.06685  705 ASP A CA  
729  C C   . ASP A 128 ? 0.43744 0.51649 0.63281 0.05092  -0.02506 0.04592  705 ASP A C   
730  O O   . ASP A 128 ? 0.41229 0.49226 0.64496 0.06174  -0.03294 0.05158  705 ASP A O   
731  C CB  . ASP A 128 ? 0.40724 0.50894 0.53627 0.03976  -0.04189 0.06876  705 ASP A CB  
732  C CG  . ASP A 128 ? 0.50367 0.61097 0.59371 0.03419  -0.04628 0.09057  705 ASP A CG  
733  O OD1 . ASP A 128 ? 0.53573 0.63745 0.63513 0.03577  -0.05563 0.11784  705 ASP A OD1 
734  O OD2 . ASP A 128 ? 0.53695 0.65454 0.58809 0.02890  -0.03906 0.08129  705 ASP A OD2 
735  N N   . TYR A 129 ? 0.41462 0.49578 0.60031 0.04666  -0.01077 0.02377  706 TYR A N   
736  C CA  . TYR A 129 ? 0.40505 0.49311 0.61770 0.05268  -0.00174 0.00614  706 TYR A CA  
737  C C   . TYR A 129 ? 0.45927 0.53712 0.65672 0.04758  0.01521  -0.01215 706 TYR A C   
738  O O   . TYR A 129 ? 0.37772 0.45238 0.54518 0.03819  0.01778  -0.01318 706 TYR A O   
739  C CB  . TYR A 129 ? 0.36451 0.47855 0.58181 0.05023  -0.00745 0.00273  706 TYR A CB  
740  C CG  . TYR A 129 ? 0.39024 0.51900 0.61854 0.05295  -0.02916 0.01932  706 TYR A CG  
741  C CD1 . TYR A 129 ? 0.42327 0.55363 0.61415 0.04586  -0.04246 0.02872  706 TYR A CD1 
742  C CD2 . TYR A 129 ? 0.36012 0.50403 0.63539 0.06338  -0.03661 0.02499  706 TYR A CD2 
743  C CE1 . TYR A 129 ? 0.40372 0.54846 0.59645 0.04725  -0.06519 0.04368  706 TYR A CE1 
744  C CE2 . TYR A 129 ? 0.38539 0.54528 0.67138 0.06512  -0.06111 0.04237  706 TYR A CE2 
745  C CZ  . TYR A 129 ? 0.33563 0.49478 0.57598 0.05595  -0.07648 0.05160  706 TYR A CZ  
746  O OH  . TYR A 129 ? 0.39508 0.57028 0.63621 0.05649  -0.10334 0.06869  706 TYR A OH  
747  N N   . VAL A 130 ? 0.37301 0.56272 0.69833 -0.02038 -0.06476 -0.04760 707 VAL A N   
748  C CA  . VAL A 130 ? 0.38502 0.54986 0.61074 -0.02186 -0.08523 -0.04368 707 VAL A CA  
749  C C   . VAL A 130 ? 0.43597 0.61846 0.62538 -0.00787 -0.03198 -0.02246 707 VAL A C   
750  O O   . VAL A 130 ? 0.44753 0.63248 0.63648 0.00952  0.01876  -0.03552 707 VAL A O   
751  C CB  . VAL A 130 ? 0.36845 0.47228 0.50065 -0.01341 -0.10810 -0.08664 707 VAL A CB  
752  C CG1 . VAL A 130 ? 0.46147 0.53387 0.47636 -0.00904 -0.12907 -0.08390 707 VAL A CG1 
753  C CG2 . VAL A 130 ? 0.49175 0.57731 0.67141 -0.03037 -0.16130 -0.10562 707 VAL A CG2 
754  N N   . ALA A 131 ? 0.42661 0.62360 0.59387 -0.01541 -0.04161 0.01190  708 ALA A N   
755  C CA  . ALA A 131 ? 0.47025 0.68276 0.60670 -0.00415 0.00910  0.03790  708 ALA A CA  
756  C C   . ALA A 131 ? 0.49777 0.66561 0.49673 0.00785  0.00348  0.03372  708 ALA A C   
757  O O   . ALA A 131 ? 0.56642 0.71724 0.52093 -0.00123 -0.04749 0.03998  708 ALA A O   
758  C CB  . ALA A 131 ? 0.42464 0.68367 0.63385 -0.01802 0.00729  0.08282  708 ALA A CB  
759  N N   . HIS A 132 ? 0.57531 0.72484 0.50756 0.03026  0.05602  0.02394  709 HIS A N   
760  C CA  . HIS A 132 ? 0.71910 0.82205 0.51007 0.04827  0.05752  0.02011  709 HIS A CA  
761  C C   . HIS A 132 ? 0.74669 0.85390 0.50421 0.07037  0.13542  0.03055  709 HIS A C   
762  O O   . HIS A 132 ? 0.70028 0.83611 0.53417 0.07383  0.18057  0.02447  709 HIS A O   
763  C CB  . HIS A 132 ? 0.80162 0.84806 0.51031 0.05744  0.01551  -0.02686 709 HIS A CB  
764  C CG  . HIS A 132 ? 0.94097 0.93646 0.50673 0.07249  -0.01084 -0.03095 709 HIS A CG  
765  N ND1 . HIS A 132 ? 1.09337 1.04453 0.53744 0.10408  0.02290  -0.04923 709 HIS A ND1 
766  C CD2 . HIS A 132 ? 0.94216 0.92247 0.46519 0.06309  -0.06968 -0.02074 709 HIS A CD2 
767  C CE1 . HIS A 132 ? 1.11035 1.01839 0.43778 0.11490  -0.01469 -0.05020 709 HIS A CE1 
768  N NE2 . HIS A 132 ? 1.05544 0.98105 0.43031 0.08976  -0.07241 -0.03369 709 HIS A NE2 
769  N N   . ASP A 133 ? 0.82120 0.90091 0.46766 0.08606  0.15149  0.04804  710 ASP A N   
770  C CA  . ASP A 133 ? 0.87074 0.94952 0.47532 0.10916  0.22864  0.05953  710 ASP A CA  
771  C C   . ASP A 133 ? 1.08246 1.13080 0.64001 0.13229  0.25096  0.01469  710 ASP A C   
772  O O   . ASP A 133 ? 1.09399 1.09892 0.58844 0.13786  0.20272  -0.02286 710 ASP A O   
773  C CB  . ASP A 133 ? 0.97104 1.01837 0.45221 0.12476  0.23958  0.08784  710 ASP A CB  
774  C CG  . ASP A 133 ? 1.07916 1.06746 0.43360 0.13516  0.17570  0.06331  710 ASP A CG  
775  O OD1 . ASP A 133 ? 1.10184 1.09284 0.48722 0.11400  0.10620  0.05953  710 ASP A OD1 
776  O OD2 . ASP A 133 ? 1.29625 1.23495 0.52001 0.16607  0.19462  0.04757  710 ASP A OD2 
777  N N   . ASP A 134 ? 1.09133 1.16330 0.68617 0.14558  0.32290  0.01772  711 ASP A N   
778  C CA  . ASP A 134 ? 1.14813 1.19942 0.71786 0.16768  0.34754  -0.02486 711 ASP A CA  
779  C C   . ASP A 134 ? 1.18303 1.18683 0.62353 0.19213  0.36556  -0.03382 711 ASP A C   
780  O O   . ASP A 134 ? 1.32578 1.34878 0.79355 0.19053  0.40633  -0.01689 711 ASP A O   
781  C CB  . ASP A 134 ? 1.19236 1.29876 0.91487 0.14789  0.37309  -0.02565 711 ASP A CB  
782  C CG  . ASP A 134 ? 1.17256 1.27419 0.92660 0.15513  0.36473  -0.07191 711 ASP A CG  
783  O OD1 . ASP A 134 ? 1.26734 1.31482 0.91492 0.17857  0.35294  -0.10616 711 ASP A OD1 
784  O OD2 . ASP A 134 ? 1.06809 1.21656 0.94594 0.13735  0.35752  -0.07553 711 ASP A OD2 
785  N N   . ASP A 144 ? 1.73627 1.41784 0.84843 0.27088  0.14455  -0.36476 739 ASP A N   
786  C CA  . ASP A 144 ? 1.61345 1.33513 0.80276 0.25126  0.14162  -0.34002 739 ASP A CA  
787  C C   . ASP A 144 ? 1.59356 1.29227 0.81588 0.22873  0.06537  -0.36089 739 ASP A C   
788  O O   . ASP A 144 ? 1.57461 1.26481 0.85607 0.21750  0.04672  -0.38529 739 ASP A O   
789  C CB  . ASP A 144 ? 1.52628 1.31286 0.84203 0.24298  0.20111  -0.32432 739 ASP A CB  
790  C CG  . ASP A 144 ? 1.46822 1.30442 0.86151 0.22851  0.21233  -0.28980 739 ASP A CG  
791  O OD1 . ASP A 144 ? 1.50630 1.33123 0.85753 0.22149  0.17538  -0.27378 739 ASP A OD1 
792  O OD2 . ASP A 144 ? 1.31636 1.21053 0.83033 0.21669  0.25190  -0.27452 739 ASP A OD2 
793  N N   . ILE A 145 ? 1.59696 1.28825 0.78826 0.21834  0.01977  -0.34719 740 ILE A N   
794  C CA  . ILE A 145 ? 1.57082 1.25368 0.82045 0.18777  -0.05615 -0.35878 740 ILE A CA  
795  C C   . ILE A 145 ? 1.44039 1.19083 0.85268 0.15607  -0.04482 -0.33056 740 ILE A C   
796  O O   . ILE A 145 ? 1.37887 1.13078 0.86562 0.12840  -0.09774 -0.33595 740 ILE A O   
797  C CB  . ILE A 145 ? 1.61458 1.27972 0.80451 0.17655  -0.11320 -0.34328 740 ILE A CB  
798  N N   . TYR A 146 ? 1.32625 1.13154 0.79698 0.16047  0.02245  -0.30057 741 TYR A N   
799  C CA  . TYR A 146 ? 1.12098 0.98850 0.74066 0.13599  0.03515  -0.27569 741 TYR A CA  
800  C C   . TYR A 146 ? 1.01405 0.89525 0.69755 0.14885  0.07712  -0.29784 741 TYR A C   
801  O O   . TYR A 146 ? 0.91307 0.84464 0.71693 0.13462  0.09254  -0.28001 741 TYR A O   
802  C CB  . TYR A 146 ? 1.11010 1.03293 0.76732 0.12848  0.07277  -0.22466 741 TYR A CB  
803  N N   . ALA A 147 ? 0.88284 0.87278 0.86163 0.16449  0.00190  -0.23275 742 ALA A N   
804  C CA  . ALA A 147 ? 0.85057 0.86886 0.84602 0.17872  0.01652  -0.22829 742 ALA A CA  
805  C C   . ALA A 147 ? 0.76389 0.78435 0.81360 0.14960  -0.00291 -0.22216 742 ALA A C   
806  O O   . ALA A 147 ? 0.58703 0.65790 0.68089 0.13519  0.01696  -0.20789 742 ALA A O   
807  C CB  . ALA A 147 ? 0.86397 0.83619 0.79342 0.23120  0.00921  -0.24561 742 ALA A CB  
808  N N   . TRP A 148 ? 0.71986 0.68719 0.76881 0.13880  -0.04408 -0.22891 743 TRP A N   
809  C CA  . TRP A 148 ? 0.65882 0.63372 0.76185 0.11295  -0.06245 -0.21812 743 TRP A CA  
810  C C   . TRP A 148 ? 0.56073 0.59385 0.72033 0.07774  -0.04051 -0.19731 743 TRP A C   
811  O O   . TRP A 148 ? 0.52225 0.58449 0.72511 0.06254  -0.03606 -0.18583 743 TRP A O   
812  C CB  . TRP A 148 ? 0.75617 0.66738 0.85311 0.10471  -0.11521 -0.22096 743 TRP A CB  
813  C CG  . TRP A 148 ? 0.75435 0.66012 0.86457 0.08023  -0.13037 -0.20980 743 TRP A CG  
814  C CD1 . TRP A 148 ? 0.84537 0.70928 0.90812 0.09021  -0.14462 -0.21976 743 TRP A CD1 
815  C CD2 . TRP A 148 ? 0.64718 0.59108 0.82124 0.04512  -0.13321 -0.18363 743 TRP A CD2 
816  N NE1 . TRP A 148 ? 0.78285 0.65944 0.88119 0.06088  -0.15661 -0.20046 743 TRP A NE1 
817  C CE2 . TRP A 148 ? 0.66645 0.59376 0.83257 0.03541  -0.14835 -0.17701 743 TRP A CE2 
818  C CE3 . TRP A 148 ? 0.56934 0.56039 0.80335 0.02451  -0.12317 -0.16341 743 TRP A CE3 
819  C CZ2 . TRP A 148 ? 0.64733 0.60916 0.86612 0.00849  -0.15112 -0.14833 743 TRP A CZ2 
820  C CZ3 . TRP A 148 ? 0.61761 0.63953 0.89807 0.00013  -0.12538 -0.13628 743 TRP A CZ3 
821  C CH2 . TRP A 148 ? 0.57710 0.58650 0.85104 -0.00645 -0.13849 -0.12771 743 TRP A CH2 
822  N N   . LEU A 149 ? 0.53037 0.57628 0.68353 0.06758  -0.02690 -0.19277 744 LEU A N   
823  C CA  . LEU A 149 ? 0.52067 0.61001 0.71117 0.04111  -0.00659 -0.17487 744 LEU A CA  
824  C C   . LEU A 149 ? 0.44379 0.57601 0.64161 0.04014  0.02553  -0.16895 744 LEU A C   
825  O O   . LEU A 149 ? 0.42701 0.58500 0.65701 0.02163  0.03366  -0.15574 744 LEU A O   
826  C CB  . LEU A 149 ? 0.49732 0.58202 0.67184 0.03406  -0.00263 -0.17221 744 LEU A CB  
827  C CG  . LEU A 149 ? 0.58335 0.64025 0.76820 0.02475  -0.03376 -0.16580 744 LEU A CG  
828  C CD1 . LEU A 149 ? 0.61033 0.65579 0.76495 0.02688  -0.02935 -0.16914 744 LEU A CD1 
829  C CD2 . LEU A 149 ? 0.48892 0.57536 0.72468 0.00406  -0.03380 -0.14186 744 LEU A CD2 
830  N N   . LYS A 150 ? 0.46602 0.60719 0.63352 0.05982  0.04284  -0.17453 745 LYS A N   
831  C CA  . LYS A 150 ? 0.44334 0.63065 0.62514 0.05657  0.06865  -0.16099 745 LYS A CA  
832  C C   . LYS A 150 ? 0.43228 0.63182 0.64337 0.05806  0.06500  -0.15771 745 LYS A C   
833  O O   . LYS A 150 ? 0.39778 0.62823 0.63920 0.03817  0.07461  -0.14252 745 LYS A O   
834  C CB  . LYS A 150 ? 0.47412 0.67752 0.62332 0.08228  0.08769  -0.16044 745 LYS A CB  
835  C CG  . LYS A 150 ? 0.50017 0.70054 0.62371 0.07748  0.09493  -0.15937 745 LYS A CG  
836  C CD  . LYS A 150 ? 0.55619 0.77509 0.64686 0.10861  0.11380  -0.15624 745 LYS A CD  
837  C CE  . LYS A 150 ? 0.66650 0.87179 0.72449 0.10927  0.11620  -0.15972 745 LYS A CE  
838  N NZ  . LYS A 150 ? 0.71922 0.94862 0.74488 0.14272  0.13736  -0.15238 745 LYS A NZ  
839  N N   . ARG A 151 ? 0.46844 0.63735 0.66568 0.08192  0.04791  -0.17194 746 ARG A N   
840  C CA  . ARG A 151 ? 0.46245 0.63824 0.68547 0.08505  0.04186  -0.16985 746 ARG A CA  
841  C C   . ARG A 151 ? 0.41684 0.60160 0.68525 0.05196  0.03197  -0.15914 746 ARG A C   
842  O O   . ARG A 151 ? 0.45576 0.66686 0.75423 0.04352  0.03824  -0.14917 746 ARG A O   
843  C CB  . ARG A 151 ? 0.52107 0.64416 0.71245 0.11510  0.01586  -0.18884 746 ARG A CB  
844  C CG  . ARG A 151 ? 0.58746 0.71575 0.79700 0.12611  0.01158  -0.18778 746 ARG A CG  
845  C CD  . ARG A 151 ? 0.68946 0.75794 0.84585 0.16748  -0.01050 -0.20815 746 ARG A CD  
846  N NE  . ARG A 151 ? 0.78272 0.79649 0.89219 0.17532  -0.03176 -0.22285 746 ARG A NE  
847  C CZ  . ARG A 151 ? 0.87473 0.83493 0.91324 0.21822  -0.04159 -0.24131 746 ARG A CZ  
848  N NH1 . ARG A 151 ? 0.94436 0.89969 0.94727 0.26313  -0.02910 -0.24714 746 ARG A NH1 
849  N NH2 . ARG A 151 ? 0.83446 0.74355 0.83274 0.21920  -0.06410 -0.25277 746 ARG A NH2 
850  N N   . ALA A 152 ? 0.41425 0.58147 0.68799 0.03495  0.01849  -0.15766 747 ALA A N   
851  C CA  . ALA A 152 ? 0.37081 0.54955 0.68413 0.01100  0.01152  -0.14354 747 ALA A CA  
852  C C   . ALA A 152 ? 0.38667 0.59224 0.70502 -0.00728 0.03355  -0.12997 747 ALA A C   
853  O O   . ALA A 152 ? 0.41036 0.62351 0.75138 -0.02141 0.03151  -0.11731 747 ALA A O   
854  C CB  . ALA A 152 ? 0.38127 0.53305 0.70364 0.00484  -0.01616 -0.14062 747 ALA A CB  
855  N N   . GLY A 153 ? 0.39369 0.61064 0.68773 -0.00584 0.05243  -0.13013 748 GLY A N   
856  C CA  . GLY A 153 ? 0.33223 0.55958 0.61999 -0.02376 0.06560  -0.11771 748 GLY A CA  
857  C C   . GLY A 153 ? 0.39858 0.60755 0.66808 -0.02762 0.06465  -0.11682 748 GLY A C   
858  O O   . GLY A 153 ? 0.40225 0.60760 0.65867 -0.03852 0.07170  -0.10736 748 GLY A O   
859  N N   . LYS A 154 ? 0.38116 0.57364 0.64442 -0.01733 0.05406  -0.12553 749 LYS A N   
860  C CA  . LYS A 154 ? 0.36356 0.54375 0.62086 -0.01983 0.05024  -0.11993 749 LYS A CA  
861  C C   . LYS A 154 ? 0.45127 0.61866 0.67454 -0.01465 0.05524  -0.12785 749 LYS A C   
862  O O   . LYS A 154 ? 0.44912 0.60533 0.66832 -0.01383 0.04924  -0.12418 749 LYS A O   
863  C CB  . LYS A 154 ? 0.34631 0.51924 0.63250 -0.01779 0.02715  -0.11528 749 LYS A CB  
864  C CG  . LYS A 154 ? 0.36768 0.55665 0.69224 -0.02445 0.02104  -0.10156 749 LYS A CG  
865  C CD  . LYS A 154 ? 0.46445 0.65002 0.82283 -0.02689 -0.00616 -0.08799 749 LYS A CD  
866  C CE  . LYS A 154 ? 0.50206 0.71179 0.90256 -0.03413 -0.00993 -0.06680 749 LYS A CE  
867  N NZ  . LYS A 154 ? 0.48668 0.71554 0.87818 -0.03392 0.01755  -0.05687 749 LYS A NZ  
868  N N   . PHE A 155 ? 0.39491 0.56844 0.59684 -0.01063 0.06630  -0.13459 750 PHE A N   
869  C CA  . PHE A 155 ? 0.40664 0.57153 0.57637 -0.00512 0.07187  -0.14023 750 PHE A CA  
870  C C   . PHE A 155 ? 0.49838 0.67162 0.65073 -0.01864 0.08602  -0.12965 750 PHE A C   
871  O O   . PHE A 155 ? 0.45535 0.64696 0.61524 -0.02748 0.09246  -0.12021 750 PHE A O   
872  C CB  . PHE A 155 ? 0.46097 0.62725 0.61478 0.01460  0.07304  -0.15140 750 PHE A CB  
873  C CG  . PHE A 155 ? 0.56669 0.73005 0.68629 0.02187  0.08191  -0.15429 750 PHE A CG  
874  C CD1 . PHE A 155 ? 0.66452 0.79885 0.76429 0.02640  0.07028  -0.16311 750 PHE A CD1 
875  C CD2 . PHE A 155 ? 0.54633 0.73913 0.65732 0.02239  0.10011  -0.14373 750 PHE A CD2 
876  C CE1 . PHE A 155 ? 0.67218 0.80338 0.73930 0.03318  0.07836  -0.16565 750 PHE A CE1 
877  C CE2 . PHE A 155 ? 0.65327 0.84773 0.73531 0.02877  0.10835  -0.14274 750 PHE A CE2 
878  C CZ  . PHE A 155 ? 0.64929 0.81099 0.70705 0.03492  0.09824  -0.15584 750 PHE A CZ  
879  N N   . LYS A 156 ? 0.49395 0.65067 0.62222 -0.02136 0.08719  -0.12911 751 LYS A N   
880  C CA  . LYS A 156 ? 0.53414 0.68679 0.63678 -0.03432 0.09419  -0.11951 751 LYS A CA  
881  C C   . LYS A 156 ? 0.56263 0.71285 0.64040 -0.02957 0.09786  -0.12328 751 LYS A C   
882  O O   . LYS A 156 ? 0.48497 0.61814 0.55234 -0.02126 0.09365  -0.13144 751 LYS A O   
883  C CB  . LYS A 156 ? 0.44725 0.57409 0.53410 -0.03956 0.09187  -0.11338 751 LYS A CB  
884  C CG  . LYS A 156 ? 0.46589 0.59321 0.56755 -0.04390 0.08998  -0.10639 751 LYS A CG  
885  C CD  . LYS A 156 ? 0.51123 0.65144 0.61726 -0.05922 0.08916  -0.09843 751 LYS A CD  
886  C CE  . LYS A 156 ? 0.54105 0.65148 0.61912 -0.07082 0.08274  -0.08816 751 LYS A CE  
887  N NZ  . LYS A 156 ? 0.50144 0.62117 0.58391 -0.09165 0.07538  -0.07431 751 LYS A NZ  
888  N N   . ALA A 157 ? 0.46811 0.63874 0.53910 -0.03564 0.10479  -0.11314 752 ALA A N   
889  C CA  . ALA A 157 ? 0.55958 0.73277 0.60713 -0.03104 0.10971  -0.11271 752 ALA A CA  
890  C C   . ALA A 157 ? 0.60079 0.74486 0.62007 -0.04519 0.10454  -0.10807 752 ALA A C   
891  O O   . ALA A 157 ? 0.57527 0.70262 0.58574 -0.06165 0.09814  -0.09778 752 ALA A O   
892  C CB  . ALA A 157 ? 0.58636 0.80132 0.64145 -0.03169 0.12007  -0.09468 752 ALA A CB  
893  N N   . THR A 158 ? 0.58680 0.71759 0.58570 -0.03652 0.10496  -0.11652 753 THR A N   
894  C CA  . THR A 158 ? 0.70237 0.80838 0.66998 -0.04661 0.10138  -0.11135 753 THR A CA  
895  C C   . THR A 158 ? 0.77084 0.89260 0.72473 -0.04241 0.10704  -0.10896 753 THR A C   
896  O O   . THR A 158 ? 0.74006 0.87862 0.69921 -0.02394 0.11309  -0.11789 753 THR A O   
897  C CB  . THR A 158 ? 0.68312 0.75731 0.63932 -0.03811 0.09691  -0.12087 753 THR A CB  
898  O OG1 . THR A 158 ? 0.61291 0.69220 0.57972 -0.02272 0.09582  -0.13306 753 THR A OG1 
899  C CG2 . THR A 158 ? 0.60851 0.67234 0.57665 -0.03710 0.09456  -0.11871 753 THR A CG2 
900  N N   . GLN A 159 ? 0.91660 1.02759 0.84709 -0.05767 0.10309  -0.09630 754 GLN A N   
901  C CA  . GLN A 159 ? 0.92453 1.05758 0.84455 -0.05644 0.10907  -0.08711 754 GLN A CA  
902  C C   . GLN A 159 ? 0.93176 1.03835 0.82598 -0.04592 0.10772  -0.10185 754 GLN A C   
903  O O   . GLN A 159 ? 0.86030 0.93112 0.74289 -0.04552 0.10050  -0.11173 754 GLN A O   
904  C CB  . GLN A 159 ? 0.89900 1.03884 0.81267 -0.08338 0.10079  -0.05869 754 GLN A CB  
905  C CG  . GLN A 159 ? 0.97391 1.10495 0.89808 -0.10418 0.08832  -0.04492 754 GLN A CG  
906  C CD  . GLN A 159 ? 1.04402 1.22208 1.00846 -0.09860 0.09824  -0.03736 754 GLN A CD  
907  O OE1 . GLN A 159 ? 1.07256 1.30054 1.05599 -0.08492 0.11349  -0.02793 754 GLN A OE1 
908  N NE2 . GLN A 159 ? 0.95781 1.11908 0.93148 -0.10565 0.09049  -0.04041 754 GLN A NE2 
909  N N   . ARG A 160 ? 0.97411 1.10148 0.85878 -0.03475 0.11577  -0.10022 755 ARG A N   
910  C CA  . ARG A 160 ? 0.93047 1.03560 0.78823 -0.02774 0.11330  -0.10996 755 ARG A CA  
911  C C   . ARG A 160 ? 0.96357 1.06902 0.80318 -0.04691 0.11026  -0.09046 755 ARG A C   
912  O O   . ARG A 160 ? 0.93991 1.07452 0.79010 -0.06241 0.11121  -0.06558 755 ARG A O   
913  C CB  . ARG A 160 ? 0.96270 1.08023 0.80961 -0.00086 0.12100  -0.12112 755 ARG A CB  
914  C CG  . ARG A 160 ? 0.94199 1.02615 0.78543 0.01481  0.10993  -0.14509 755 ARG A CG  
915  C CD  . ARG A 160 ? 1.02324 1.10597 0.84254 0.04395  0.11205  -0.15691 755 ARG A CD  
916  N NE  . ARG A 160 ? 1.03529 1.07455 0.84317 0.05377  0.09180  -0.17642 755 ARG A NE  
917  C CZ  . ARG A 160 ? 1.04595 1.05729 0.82208 0.06169  0.08195  -0.18455 755 ARG A CZ  
918  N NH1 . ARG A 160 ? 1.06214 1.08547 0.81224 0.06429  0.09366  -0.17737 755 ARG A NH1 
919  N NH2 . ARG A 160 ? 1.04561 1.01664 0.81776 0.06528  0.05708  -0.19689 755 ARG A NH2 
920  N N   . THR A 161 ? 0.97290 1.04568 0.78741 -0.04744 0.10366  -0.09846 756 THR A N   
921  C CA  . THR A 161 ? 1.00600 1.07277 0.79806 -0.06308 0.09828  -0.08257 756 THR A CA  
922  C C   . THR A 161 ? 1.03617 1.10864 0.81120 -0.04692 0.10476  -0.09046 756 THR A C   
923  O O   . THR A 161 ? 1.03400 1.08110 0.80065 -0.03240 0.10190  -0.11110 756 THR A O   
924  C CB  . THR A 161 ? 0.93980 0.95421 0.70734 -0.07557 0.08320  -0.08442 756 THR A CB  
925  O OG1 . THR A 161 ? 0.93375 0.93380 0.70517 -0.08860 0.07456  -0.07670 756 THR A OG1 
926  C CG2 . THR A 161 ? 0.96128 0.96185 0.70088 -0.09112 0.07366  -0.06945 756 THR A CG2 
927  N N   . GLU A 162 ? 1.07586 1.18266 0.84643 -0.04965 0.11180  -0.07041 757 GLU A N   
928  C CA  . GLU A 162 ? 1.06760 1.18151 0.81610 -0.03008 0.11981  -0.07652 757 GLU A CA  
929  C C   . GLU A 162 ? 1.04198 1.13997 0.76846 -0.04658 0.11122  -0.06546 757 GLU A C   
930  O O   . GLU A 162 ? 1.02101 1.11116 0.74898 -0.07356 0.09937  -0.04620 757 GLU A O   
931  C CB  . GLU A 162 ? 1.15864 1.32838 0.91322 -0.01046 0.13909  -0.06033 757 GLU A CB  
932  C CG  . GLU A 162 ? 1.14054 1.31865 0.90848 0.01215  0.14684  -0.07482 757 GLU A CG  
933  C CD  . GLU A 162 ? 1.18596 1.32117 0.92755 0.03843  0.14075  -0.10889 757 GLU A CD  
934  O OE1 . GLU A 162 ? 1.22957 1.34740 0.93759 0.05063  0.13916  -0.11615 757 GLU A OE1 
935  O OE2 . GLU A 162 ? 1.10411 1.22098 0.85831 0.04494  0.13417  -0.12603 757 GLU A OE2 
936  N N   . GLY A 163 ? 1.02626 1.11196 0.72754 -0.03024 0.11337  -0.07822 758 GLY A N   
937  C CA  . GLY A 163 ? 1.06060 1.13303 0.73992 -0.04308 0.10624  -0.06844 758 GLY A CA  
938  C C   . GLY A 163 ? 1.06901 1.08913 0.73745 -0.05850 0.08905  -0.07747 758 GLY A C   
939  O O   . GLY A 163 ? 1.06183 1.06687 0.71241 -0.07461 0.07955  -0.06479 758 GLY A O   
940  N N   . VAL A 164 ? 1.06069 1.05368 0.73813 -0.05142 0.08499  -0.09630 759 VAL A N   
941  C CA  . VAL A 164 ? 1.03909 0.98700 0.70466 -0.05604 0.07351  -0.10238 759 VAL A CA  
942  C C   . VAL A 164 ? 1.03716 0.96811 0.70427 -0.03835 0.07158  -0.11966 759 VAL A C   
943  O O   . VAL A 164 ? 1.02114 0.92460 0.68600 -0.03524 0.06598  -0.12151 759 VAL A O   
944  C CB  . VAL A 164 ? 0.96320 0.89636 0.63823 -0.06241 0.06969  -0.10021 759 VAL A CB  
945  C CG1 . VAL A 164 ? 1.05270 0.98301 0.71669 -0.08652 0.06010  -0.07877 759 VAL A CG1 
946  C CG2 . VAL A 164 ? 0.92745 0.88765 0.63447 -0.05155 0.07866  -0.10890 759 VAL A CG2 
947  N N   . SER A 165 ? 1.03369 0.97859 0.70188 -0.02494 0.07418  -0.12927 760 SER A N   
948  C CA  . SER A 165 ? 1.06419 0.99114 0.73997 -0.01216 0.06475  -0.14216 760 SER A CA  
949  C C   . SER A 165 ? 1.12304 1.02743 0.77989 -0.01268 0.05573  -0.14126 760 SER A C   
950  O O   . SER A 165 ? 1.11892 1.02224 0.75157 -0.01959 0.05805  -0.13485 760 SER A O   
951  C CB  . SER A 165 ? 1.02840 0.96273 0.70205 0.00383  0.06340  -0.15441 760 SER A CB  
952  O OG  . SER A 165 ? 1.12396 1.05501 0.76347 0.01274  0.06357  -0.15726 760 SER A OG  
953  N N   . THR A 166 ? 1.15470 1.04397 0.82700 -0.00653 0.04358  -0.14388 761 THR A N   
954  C CA  . THR A 166 ? 1.18650 1.05688 0.84747 -0.00653 0.03295  -0.14011 761 THR A CA  
955  C C   . THR A 166 ? 1.18248 1.04604 0.81008 -0.00371 0.02865  -0.14779 761 THR A C   
956  O O   . THR A 166 ? 1.18999 1.04370 0.79643 -0.00819 0.02712  -0.14317 761 THR A O   
957  C CB  . THR A 166 ? 1.19672 1.06151 0.88954 -0.00166 0.01740  -0.13465 761 THR A CB  
958  O OG1 . THR A 166 ? 1.12618 1.00605 0.85116 0.00055  0.02361  -0.12932 761 THR A OG1 
959  C CG2 . THR A 166 ? 1.17543 1.03093 0.87025 -0.00155 0.01274  -0.12031 761 THR A CG2 
960  N N   . THR A 167 ? 1.18265 1.04841 0.79972 0.00717  0.02687  -0.15924 762 THR A N   
961  C CA  . THR A 167 ? 1.20802 1.06684 0.78260 0.01789  0.02688  -0.16591 762 THR A CA  
962  C C   . THR A 167 ? 1.21995 1.10371 0.77931 0.01033  0.04540  -0.15372 762 THR A C   
963  O O   . THR A 167 ? 1.23790 1.11407 0.77044 0.00949  0.04340  -0.15033 762 THR A O   
964  C CB  . THR A 167 ? 1.22208 1.07947 0.77983 0.03830  0.02729  -0.17869 762 THR A CB  
965  O OG1 . THR A 167 ? 1.23358 1.06164 0.80565 0.04116  0.00295  -0.18742 762 THR A OG1 
966  C CG2 . THR A 167 ? 1.24196 1.08821 0.74421 0.05876  0.02936  -0.18492 762 THR A CG2 
967  N N   . ASP A 168 ? 1.15689 1.07022 0.73474 0.00240  0.06032  -0.14387 763 ASP A N   
968  C CA  . ASP A 168 ? 1.16231 1.10183 0.73148 -0.00952 0.07200  -0.12508 763 ASP A CA  
969  C C   . ASP A 168 ? 1.18146 1.09915 0.74143 -0.02660 0.06285  -0.11683 763 ASP A C   
970  O O   . ASP A 168 ? 1.16255 1.09210 0.70565 -0.03545 0.06544  -0.10204 763 ASP A O   
971  C CB  . ASP A 168 ? 1.13018 1.09815 0.72549 -0.02017 0.08141  -0.11263 763 ASP A CB  
972  C CG  . ASP A 168 ? 1.07256 1.05994 0.67969 -0.00170 0.09022  -0.12140 763 ASP A CG  
973  O OD1 . ASP A 168 ? 1.19734 1.18713 0.78055 0.02200  0.09448  -0.12996 763 ASP A OD1 
974  O OD2 . ASP A 168 ? 1.06847 1.06339 0.70286 -0.00832 0.09172  -0.12037 763 ASP A OD2 
975  N N   . LEU A 169 ? 1.19268 1.08050 0.76323 -0.02916 0.05232  -0.12309 764 LEU A N   
976  C CA  . LEU A 169 ? 1.20065 1.06344 0.75793 -0.03990 0.04467  -0.11494 764 LEU A CA  
977  C C   . LEU A 169 ? 1.20773 1.05873 0.74274 -0.03666 0.03779  -0.11679 764 LEU A C   
978  O O   . LEU A 169 ? 1.21252 1.05917 0.72667 -0.04739 0.03589  -0.10610 764 LEU A O   
979  C CB  . LEU A 169 ? 1.19769 1.03800 0.77089 -0.03507 0.04004  -0.11687 764 LEU A CB  
980  N N   . ILE A 170 ? 1.20790 1.04961 0.74557 -0.02376 0.02999  -0.12860 765 ILE A N   
981  C CA  . ILE A 170 ? 1.22564 1.05033 0.73915 -0.02103 0.01963  -0.13045 765 ILE A CA  
982  C C   . ILE A 170 ? 1.29970 1.14125 0.78105 -0.01850 0.02863  -0.12745 765 ILE A C   
983  O O   . ILE A 170 ? 1.27349 1.10666 0.73122 -0.02231 0.02456  -0.12209 765 ILE A O   
984  C CB  . ILE A 170 ? 1.22099 1.02603 0.74149 -0.01028 0.00207  -0.14095 765 ILE A CB  
985  C CG1 . ILE A 170 ? 1.27463 1.06099 0.75469 -0.00205 -0.00862 -0.14817 765 ILE A CG1 
986  C CG2 . ILE A 170 ? 1.26339 1.07712 0.80327 -0.00213 0.00332  -0.14944 765 ILE A CG2 
987  C CD1 . ILE A 170 ? 1.35493 1.12652 0.82211 -0.01073 -0.01676 -0.13987 765 ILE A CD1 
988  N N   . VAL A 171 ? 1.23953 1.10926 0.72039 -0.00982 0.04239  -0.12745 766 VAL A N   
989  C CA  . VAL A 171 ? 1.27605 1.17622 0.73230 -0.00442 0.05637  -0.11491 766 VAL A CA  
990  C C   . VAL A 171 ? 1.29662 1.20936 0.75672 -0.02881 0.05711  -0.09210 766 VAL A C   
991  O O   . VAL A 171 ? 1.28290 1.20391 0.72003 -0.03043 0.05838  -0.08039 766 VAL A O   
992  C CB  . VAL A 171 ? 1.25279 1.19073 0.71700 0.00950  0.07400  -0.11097 766 VAL A CB  
993  C CG1 . VAL A 171 ? 1.24327 1.22481 0.68696 0.01906  0.09193  -0.08913 766 VAL A CG1 
994  C CG2 . VAL A 171 ? 1.24670 1.16077 0.69911 0.03477  0.06834  -0.13491 766 VAL A CG2 
995  N N   . ARG A 172 ? 1.27513 1.18370 0.75953 -0.04760 0.05333  -0.08481 767 ARG A N   
996  C CA  . ARG A 172 ? 1.26433 1.16777 0.74412 -0.07202 0.04533  -0.06394 767 ARG A CA  
997  C C   . ARG A 172 ? 1.30372 1.16933 0.76207 -0.07505 0.03226  -0.06855 767 ARG A C   
998  O O   . ARG A 172 ? 1.36034 1.22487 0.80298 -0.09018 0.02572  -0.05125 767 ARG A O   
999  C CB  . ARG A 172 ? 1.17791 1.06622 0.67408 -0.08668 0.03863  -0.05939 767 ARG A CB  
1000 N N   . ILE A 173 ? 1.33400 1.17141 0.79454 -0.06181 0.02668  -0.08769 768 ILE A N   
1001 C CA  . ILE A 173 ? 1.29162 1.09752 0.73649 -0.06280 0.01471  -0.08906 768 ILE A CA  
1002 C C   . ILE A 173 ? 1.41931 1.23376 0.83937 -0.05929 0.01435  -0.08750 768 ILE A C   
1003 O O   . ILE A 173 ? 1.43086 1.23259 0.83271 -0.06910 0.00696  -0.07800 768 ILE A O   
1004 C CB  . ILE A 173 ? 1.31965 1.10438 0.78242 -0.04985 0.00818  -0.10135 768 ILE A CB  
1005 C CG1 . ILE A 173 ? 1.27792 1.05288 0.75878 -0.04895 0.01061  -0.09926 768 ILE A CG1 
1006 C CG2 . ILE A 173 ? 1.35311 1.11355 0.80375 -0.04885 -0.00384 -0.09897 768 ILE A CG2 
1007 C CD1 . ILE A 173 ? 1.25407 1.01713 0.75689 -0.03504 0.00599  -0.10071 768 ILE A CD1 
1008 N N   . LEU A 174 ? 1.33318 1.16358 0.74579 -0.04239 0.02108  -0.09722 769 LEU A N   
1009 C CA  . LEU A 174 ? 1.40934 1.23915 0.78707 -0.03197 0.02016  -0.09800 769 LEU A CA  
1010 C C   . LEU A 174 ? 1.41237 1.28279 0.77684 -0.03635 0.03469  -0.07543 769 LEU A C   
1011 O O   . LEU A 174 ? 1.47916 1.34994 0.81676 -0.03586 0.03308  -0.06721 769 LEU A O   
1012 C CB  . LEU A 174 ? 1.36986 1.18727 0.73012 -0.00687 0.01755  -0.11751 769 LEU A CB  
1013 C CG  . LEU A 174 ? 1.36078 1.14212 0.74110 -0.00721 -0.00268 -0.13167 769 LEU A CG  
1014 C CD1 . LEU A 174 ? 1.36267 1.11981 0.71967 0.01412  -0.01449 -0.14933 769 LEU A CD1 
1015 C CD2 . LEU A 174 ? 1.31166 1.06701 0.69143 -0.01864 -0.01930 -0.12672 769 LEU A CD2 
1016 N N   . LYS A 175 ? 1.45079 1.35895 0.83725 -0.04208 0.04758  -0.06072 770 LYS A N   
1017 C CA  . LYS A 175 ? 1.47279 1.43138 0.85911 -0.04961 0.05989  -0.02858 770 LYS A CA  
1018 C C   . LYS A 175 ? 1.52985 1.47887 0.91568 -0.07939 0.04515  -0.00721 770 LYS A C   
1019 O O   . LYS A 175 ? 1.57843 1.56892 0.97105 -0.09395 0.04870  0.02701  770 LYS A O   
1020 C CB  . LYS A 175 ? 1.45505 1.45486 0.87356 -0.05436 0.07146  -0.01298 770 LYS A CB  
1021 N N   . ASN A 176 ? 1.49196 1.38782 0.87072 -0.08798 0.02723  -0.02324 771 ASN A N   
1022 C CA  . ASN A 176 ? 1.53584 1.40915 0.90299 -0.11057 0.01057  -0.00792 771 ASN A CA  
1023 C C   . ASN A 176 ? 1.56529 1.42044 0.90468 -0.10101 0.00638  -0.01645 771 ASN A C   
1024 O O   . ASN A 176 ? 1.60111 1.42085 0.92961 -0.11348 -0.00966 -0.01492 771 ASN A O   
1025 C CB  . ASN A 176 ? 1.53692 1.36019 0.90902 -0.12294 -0.00629 -0.01573 771 ASN A CB  
1026 N N   . TYR A 177 ? 1.54743 1.42067 0.86941 -0.07683 0.01884  -0.02555 772 TYR A N   
1027 C CA  . TYR A 177 ? 1.57831 1.42860 0.86766 -0.06609 0.01208  -0.03486 772 TYR A CA  
1028 C C   . TYR A 177 ? 1.55869 1.44667 0.81720 -0.04629 0.02857  -0.02248 772 TYR A C   
1029 O O   . TYR A 177 ? 1.52280 1.40344 0.75337 -0.01624 0.03513  -0.04026 772 TYR A O   
1030 C CB  . TYR A 177 ? 1.56177 1.36974 0.84765 -0.05028 0.00132  -0.06517 772 TYR A CB  
1031 C CG  . TYR A 177 ? 1.51359 1.28725 0.82473 -0.06384 -0.01375 -0.07116 772 TYR A CG  
1032 C CD1 . TYR A 177 ? 1.52720 1.30162 0.86916 -0.06738 -0.01073 -0.07420 772 TYR A CD1 
1033 C CD2 . TYR A 177 ? 1.51801 1.26011 0.81988 -0.06916 -0.02948 -0.07157 772 TYR A CD2 
1034 C CE1 . TYR A 177 ? 1.52247 1.26758 0.88120 -0.07160 -0.02074 -0.07664 772 TYR A CE1 
1035 C CE2 . TYR A 177 ? 1.51744 1.23344 0.84034 -0.07405 -0.03937 -0.07256 772 TYR A CE2 
1036 C CZ  . TYR A 177 ? 1.52447 1.24235 0.87371 -0.07306 -0.03381 -0.07471 772 TYR A CZ  
1037 O OH  . TYR A 177 ? 1.54187 1.23581 0.90599 -0.07016 -0.04001 -0.07278 772 TYR A OH  
# 
