data_9HSO
# 
_entry.id   9HSO 
# 
_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   9HSO         pdb_00009hso 10.2210/pdb9hso/pdb 
WWPDB D_1292144116 ?            ?                   
# 
_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                        9HSO 
_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 pyridine' 
_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 pyridine                                 79.100    2  ?        ? ? ?                                            
3 water       nat water                                    18.015    25 ?        ? ? ?                                            
# 
_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 pyridine 0PY 
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 
0PY non-polymer         . pyridine        'Azabenzene; Azine' 'C5 H5 N'        79.100  
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 ?   ?   ?   A . n 
A 1 178 GLU 178 773 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
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 0PY 1  801 2  0PY LIG A . 
C 2 0PY 1  802 3  0PY LIG A . 
D 3 HOH 1  901 6  HOH HOH A . 
D 3 HOH 2  902 4  HOH HOH A . 
D 3 HOH 3  903 11 HOH HOH A . 
D 3 HOH 4  904 5  HOH HOH A . 
D 3 HOH 5  905 1  HOH HOH A . 
D 3 HOH 6  906 31 HOH HOH A . 
D 3 HOH 7  907 12 HOH HOH A . 
D 3 HOH 8  908 8  HOH HOH A . 
D 3 HOH 9  909 15 HOH HOH A . 
D 3 HOH 10 910 14 HOH HOH A . 
D 3 HOH 11 911 16 HOH HOH A . 
D 3 HOH 12 912 7  HOH HOH A . 
D 3 HOH 13 913 3  HOH HOH A . 
D 3 HOH 14 914 29 HOH HOH A . 
D 3 HOH 15 915 30 HOH HOH A . 
D 3 HOH 16 916 10 HOH HOH A . 
D 3 HOH 17 917 2  HOH HOH A . 
D 3 HOH 18 918 27 HOH HOH A . 
D 3 HOH 19 919 28 HOH HOH A . 
D 3 HOH 20 920 17 HOH HOH A . 
D 3 HOH 21 921 18 HOH HOH A . 
D 3 HOH 22 922 26 HOH HOH A . 
D 3 HOH 23 923 9  HOH HOH A . 
D 3 HOH 24 924 22 HOH HOH A . 
D 3 HOH 25 925 20 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A ASN 657 ? CG  ? A ASN 80  CG  
6  1 Y 1 A ASN 657 ? OD1 ? A ASN 80  OD1 
7  1 Y 1 A ASN 657 ? ND2 ? A ASN 80  ND2 
8  1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
9  1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
10 1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
11 1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
12 1 Y 1 A LYS 663 ? CG  ? A LYS 86  CG  
13 1 Y 1 A LYS 663 ? CD  ? A LYS 86  CD  
14 1 Y 1 A LYS 663 ? CE  ? A LYS 86  CE  
15 1 Y 1 A LYS 663 ? NZ  ? A LYS 86  NZ  
16 1 Y 1 A GLN 665 ? CG  ? A GLN 88  CG  
17 1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
18 1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
19 1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
20 1 Y 1 A LYS 703 ? CG  ? A LYS 126 CG  
21 1 Y 1 A LYS 703 ? CD  ? A LYS 126 CD  
22 1 Y 1 A LYS 703 ? CE  ? A LYS 126 CE  
23 1 Y 1 A LYS 703 ? NZ  ? A LYS 126 NZ  
24 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
25 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
26 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
27 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
28 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
29 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
30 1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
31 1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
32 1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
33 1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
34 1 Y 1 A LEU 769 ? CG  ? A LEU 174 CG  
35 1 Y 1 A LEU 769 ? CD1 ? A LEU 174 CD1 
36 1 Y 1 A LEU 769 ? CD2 ? A LEU 174 CD2 
37 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
38 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
39 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
40 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
41 1 Y 1 A ASN 771 ? CG  ? A ASN 176 CG  
42 1 Y 1 A ASN 771 ? OD1 ? A ASN 176 OD1 
43 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                     9HSO 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.039 
_cell.length_a_esd                 ? 
_cell.length_b                     69.599 
_cell.length_b_esd                 ? 
_cell.length_c                     117.179 
_cell.length_c_esd                 ? 
_cell.volume                       408095.127 
_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                         9HSO 
_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                   9HSO 
_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             2.47 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.22 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.8856 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-2 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          52.83 
_reflns.entry_id                                       9HSO 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.25 
_reflns.d_resolution_low                               59.84 
_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                                     15763 
_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                           96.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.7 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.97 
_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                                0.068 
_reflns.pdbx_Rpim_I_all                                0.035 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.990 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.058 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.25 
_reflns_shell.d_res_low                                     2.32 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           2882 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             875 
_reflns_shell.percent_possible_obs                          96.7 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               3.3 
_reflns_shell.pdbx_chi_squared                              0.93 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.0 
_reflns_shell.pdbx_Rrim_I_all                               1.421 
_reflns_shell.pdbx_Rpim_I_all                               0.728 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.397 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.203 
_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                               59.54 
_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                                 9HSO 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.30 
_refine.ls_d_res_low                             59.84 
_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                     15763 
_refine.ls_number_reflns_R_free                  753 
_refine.ls_number_reflns_R_work                  15010 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    89.62 
_refine.ls_percent_reflns_R_free                 4.78 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2201 
_refine.ls_R_factor_R_free                       0.2664 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2179 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 32.4048 
_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                            0.2966 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.30 
_refine_hist.d_res_low                        59.84 
_refine_hist.number_atoms_solvent             25 
_refine_hist.number_atoms_total               1049 
_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        1012 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         12 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0069  ? 1044 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7660  ? 1416 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0530  ? 168  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0062  ? 175  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.1395 ? 362  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.30 2.48  . . 159 3087 92.32 . . . . 0.3004 . . . . . . . . . . . 0.3271 
'X-RAY DIFFRACTION' 2.48 2.73  . . 153 3006 90.18 . . . . 0.2849 . . . . . . . . . . . 0.3002 
'X-RAY DIFFRACTION' 2.73 3.12  . . 168 2991 89.77 . . . . 0.2704 . . . . . . . . . . . 0.3194 
'X-RAY DIFFRACTION' 3.12 3.93  . . 146 2933 87.47 . . . . 0.2299 . . . . . . . . . . . 0.2666 
'X-RAY DIFFRACTION' 3.93 59.84 . . 127 2993 88.44 . . . . 0.1727 . . . . . . . . . . . 0.2284 
# 
_struct.entry_id                     9HSO 
_struct.title                        
'Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with pyridine' 
_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        9HSO 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSO 
_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 9HSO GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSO HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSO MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSO ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSO ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSO ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSO ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSO ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSO ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSO ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSO ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSO ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSO ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSO ?   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)' 2020  ? 
1 MORE         -8    ? 
1 'SSA (A^2)'  13050 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -69.5990000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? LYS A 126 ? THR A 695 LYS A 703 1 ? 9  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? 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       -0.44 
# 
_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                   9HSO 
_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     N 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    921 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    925 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.06 
# 
_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             -68.23 
_pdbx_validate_torsion.psi             2.37 
# 
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 -2.46151591475 -22.0720382507 -23.2722688285 0.410520568455 ? -0.00857925126274 ? 0.0343933683445  
? 0.272049338355 ? -0.0458029939002 ? 0.379833136082 ? 4.3749838974  ? -0.624765578901 ? 1.1503756539  ? 2.11721747728 ? 
-0.931552029051 ? 4.50278088732 ? -0.0837192370423 ? -0.248595346529 ? 0.355995990324   ? 0.106408391944 ? -0.0142929750896 ? 
0.0652342391135 ? -0.303130173107 ? -0.0846138340481 ? 0.0828528852459  ? 
2 'X-RAY DIFFRACTION' ? refined -13.6717536606 -13.9876906215 -25.349149914  0.61507390069  ? 0.0430619078514   ? -0.0439145683753 
? 0.466926425081 ? -0.0945383636336 ? 0.549382300821 ? 8.40361367342 ? -5.21239652678  ? 2.07473565468 ? 5.9684587014  ? 
-0.820585266905 ? 3.27395186614 ? -0.391447730286  ? -1.30429319392  ? 0.657568531784   ? 1.33134025342  ? 0.392526454855   ? 
0.0827198859599 ? 0.215754650209  ? -0.396221468711  ? -0.0844524828285 ? 
3 'X-RAY DIFFRACTION' ? refined -10.4764391891 -30.4675514509 -13.5628714423 0.697985527576 ? -0.16995748898    ? 0.0035972895376  
? 0.699635037619 ? -0.0525987341331 ? 0.504141500304 ? 4.34614675866 ? -5.5630461278   ? 5.18201197981 ? 9.40895560926 ? 
-7.2928742065   ? 6.26536108238 ? -0.241067450248  ? -1.06704221218  ? -0.0848672994646 ? 0.378941033555 ? 0.534753788391   ? 
-0.14144723456  ? 0.359851260596  ? -1.63041352966   ? -0.345011554662  ? 
# 
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 87  A 702 ? ? 
;chain 'A' and (resid 616 through 702 )
;
2 'X-RAY DIFFRACTION' 2 A 88  A 703 ? A 104 A 746 ? ? 
;chain 'A' and (resid 703 through 746 )
;
3 'X-RAY DIFFRACTION' 3 A 105 A 747 ? A 129 A 771 ? ? 
;chain 'A' and (resid 747 through 771 )
;
# 
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 TYR 772 ? A TYR 177 
49 1 Y 1 A GLU 773 ? A GLU 178 
50 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 
0PY C5   C Y N 1   
0PY N1   N Y N 2   
0PY C4   C Y N 3   
0PY C3   C Y N 4   
0PY C2   C Y N 5   
0PY C1   C Y N 6   
0PY H5   H N N 7   
0PY H4   H N N 8   
0PY H3   H N N 9   
0PY H2   H N N 10  
0PY H1   H N N 11  
ALA N    N N N 12  
ALA CA   C N S 13  
ALA C    C N N 14  
ALA O    O N N 15  
ALA CB   C N N 16  
ALA OXT  O N N 17  
ALA H    H N N 18  
ALA H2   H N N 19  
ALA HA   H N N 20  
ALA HB1  H N N 21  
ALA HB2  H N N 22  
ALA HB3  H N N 23  
ALA HXT  H N N 24  
ARG N    N N N 25  
ARG CA   C N S 26  
ARG C    C N N 27  
ARG O    O N N 28  
ARG CB   C N N 29  
ARG CG   C N N 30  
ARG CD   C N N 31  
ARG NE   N N N 32  
ARG CZ   C N N 33  
ARG NH1  N N N 34  
ARG NH2  N N N 35  
ARG OXT  O N N 36  
ARG H    H N N 37  
ARG H2   H N N 38  
ARG HA   H N N 39  
ARG HB2  H N N 40  
ARG HB3  H N N 41  
ARG HG2  H N N 42  
ARG HG3  H N N 43  
ARG HD2  H N N 44  
ARG HD3  H N N 45  
ARG HE   H N N 46  
ARG HH11 H N N 47  
ARG HH12 H N N 48  
ARG HH21 H N N 49  
ARG HH22 H N N 50  
ARG HXT  H N N 51  
ASN N    N N N 52  
ASN CA   C N S 53  
ASN C    C N N 54  
ASN O    O N N 55  
ASN CB   C N N 56  
ASN CG   C N N 57  
ASN OD1  O N N 58  
ASN ND2  N N N 59  
ASN OXT  O N N 60  
ASN H    H N N 61  
ASN H2   H N N 62  
ASN HA   H N N 63  
ASN HB2  H N N 64  
ASN HB3  H N N 65  
ASN HD21 H N N 66  
ASN HD22 H N N 67  
ASN HXT  H N N 68  
ASP N    N N N 69  
ASP CA   C N S 70  
ASP C    C N N 71  
ASP O    O N N 72  
ASP CB   C N N 73  
ASP CG   C N N 74  
ASP OD1  O N N 75  
ASP OD2  O N N 76  
ASP OXT  O N N 77  
ASP H    H N N 78  
ASP H2   H N N 79  
ASP HA   H N N 80  
ASP HB2  H N N 81  
ASP HB3  H N N 82  
ASP HD2  H N N 83  
ASP HXT  H N N 84  
CYS N    N N N 85  
CYS CA   C N R 86  
CYS C    C N N 87  
CYS O    O N N 88  
CYS CB   C N N 89  
CYS SG   S N N 90  
CYS OXT  O N N 91  
CYS H    H N N 92  
CYS H2   H N N 93  
CYS HA   H N N 94  
CYS HB2  H N N 95  
CYS HB3  H N N 96  
CYS HG   H N N 97  
CYS HXT  H N N 98  
GLN N    N N N 99  
GLN CA   C N S 100 
GLN C    C N N 101 
GLN O    O N N 102 
GLN CB   C N N 103 
GLN CG   C N N 104 
GLN CD   C N N 105 
GLN OE1  O N N 106 
GLN NE2  N N N 107 
GLN OXT  O N N 108 
GLN H    H N N 109 
GLN H2   H N N 110 
GLN HA   H N N 111 
GLN HB2  H N N 112 
GLN HB3  H N N 113 
GLN HG2  H N N 114 
GLN HG3  H N N 115 
GLN HE21 H N N 116 
GLN HE22 H N N 117 
GLN HXT  H N N 118 
GLU N    N N N 119 
GLU CA   C N S 120 
GLU C    C N N 121 
GLU O    O N N 122 
GLU CB   C N N 123 
GLU CG   C N N 124 
GLU CD   C N N 125 
GLU OE1  O N N 126 
GLU OE2  O N N 127 
GLU OXT  O N N 128 
GLU H    H N N 129 
GLU H2   H N N 130 
GLU HA   H N N 131 
GLU HB2  H N N 132 
GLU HB3  H N N 133 
GLU HG2  H N N 134 
GLU HG3  H N N 135 
GLU HE2  H N N 136 
GLU HXT  H N N 137 
GLY N    N N N 138 
GLY CA   C N N 139 
GLY C    C N N 140 
GLY O    O N N 141 
GLY OXT  O N N 142 
GLY H    H N N 143 
GLY H2   H N N 144 
GLY HA2  H N N 145 
GLY HA3  H N N 146 
GLY HXT  H N N 147 
HIS N    N N N 148 
HIS CA   C N S 149 
HIS C    C N N 150 
HIS O    O N N 151 
HIS CB   C N N 152 
HIS CG   C Y N 153 
HIS ND1  N Y N 154 
HIS CD2  C Y N 155 
HIS CE1  C Y N 156 
HIS NE2  N Y N 157 
HIS OXT  O N N 158 
HIS H    H N N 159 
HIS H2   H N N 160 
HIS HA   H N N 161 
HIS HB2  H N N 162 
HIS HB3  H N N 163 
HIS HD1  H N N 164 
HIS HD2  H N N 165 
HIS HE1  H N N 166 
HIS HE2  H N N 167 
HIS HXT  H N N 168 
HOH O    O N N 169 
HOH H1   H N N 170 
HOH H2   H N N 171 
ILE N    N N N 172 
ILE CA   C N S 173 
ILE C    C N N 174 
ILE O    O N N 175 
ILE CB   C N S 176 
ILE CG1  C N N 177 
ILE CG2  C N N 178 
ILE CD1  C N N 179 
ILE OXT  O N N 180 
ILE H    H N N 181 
ILE H2   H N N 182 
ILE HA   H N N 183 
ILE HB   H N N 184 
ILE HG12 H N N 185 
ILE HG13 H N N 186 
ILE HG21 H N N 187 
ILE HG22 H N N 188 
ILE HG23 H N N 189 
ILE HD11 H N N 190 
ILE HD12 H N N 191 
ILE HD13 H N N 192 
ILE HXT  H N N 193 
LEU N    N N N 194 
LEU CA   C N S 195 
LEU C    C N N 196 
LEU O    O N N 197 
LEU CB   C N N 198 
LEU CG   C N N 199 
LEU CD1  C N N 200 
LEU CD2  C N N 201 
LEU OXT  O N N 202 
LEU H    H N N 203 
LEU H2   H N N 204 
LEU HA   H N N 205 
LEU HB2  H N N 206 
LEU HB3  H N N 207 
LEU HG   H N N 208 
LEU HD11 H N N 209 
LEU HD12 H N N 210 
LEU HD13 H N N 211 
LEU HD21 H N N 212 
LEU HD22 H N N 213 
LEU HD23 H N N 214 
LEU HXT  H N N 215 
LYS N    N N N 216 
LYS CA   C N S 217 
LYS C    C N N 218 
LYS O    O N N 219 
LYS CB   C N N 220 
LYS CG   C N N 221 
LYS CD   C N N 222 
LYS CE   C N N 223 
LYS NZ   N N N 224 
LYS OXT  O N N 225 
LYS H    H N N 226 
LYS H2   H N N 227 
LYS HA   H N N 228 
LYS HB2  H N N 229 
LYS HB3  H N N 230 
LYS HG2  H N N 231 
LYS HG3  H N N 232 
LYS HD2  H N N 233 
LYS HD3  H N N 234 
LYS HE2  H N N 235 
LYS HE3  H N N 236 
LYS HZ1  H N N 237 
LYS HZ2  H N N 238 
LYS HZ3  H N N 239 
LYS HXT  H N N 240 
MET N    N N N 241 
MET CA   C N S 242 
MET C    C N N 243 
MET O    O N N 244 
MET CB   C N N 245 
MET CG   C N N 246 
MET SD   S N N 247 
MET CE   C N N 248 
MET OXT  O N N 249 
MET H    H N N 250 
MET H2   H N N 251 
MET HA   H N N 252 
MET HB2  H N N 253 
MET HB3  H N N 254 
MET HG2  H N N 255 
MET HG3  H N N 256 
MET HE1  H N N 257 
MET HE2  H N N 258 
MET HE3  H N N 259 
MET HXT  H N N 260 
PHE N    N N N 261 
PHE CA   C N S 262 
PHE C    C N N 263 
PHE O    O N N 264 
PHE CB   C N N 265 
PHE CG   C Y N 266 
PHE CD1  C Y N 267 
PHE CD2  C Y N 268 
PHE CE1  C Y N 269 
PHE CE2  C Y N 270 
PHE CZ   C Y N 271 
PHE OXT  O N N 272 
PHE H    H N N 273 
PHE H2   H N N 274 
PHE HA   H N N 275 
PHE HB2  H N N 276 
PHE HB3  H N N 277 
PHE HD1  H N N 278 
PHE HD2  H N N 279 
PHE HE1  H N N 280 
PHE HE2  H N N 281 
PHE HZ   H N N 282 
PHE HXT  H N N 283 
PRO N    N N N 284 
PRO CA   C N S 285 
PRO C    C N N 286 
PRO O    O N N 287 
PRO CB   C N N 288 
PRO CG   C N N 289 
PRO CD   C N N 290 
PRO OXT  O N N 291 
PRO H    H N N 292 
PRO HA   H N N 293 
PRO HB2  H N N 294 
PRO HB3  H N N 295 
PRO HG2  H N N 296 
PRO HG3  H N N 297 
PRO HD2  H N N 298 
PRO HD3  H N N 299 
PRO HXT  H N N 300 
SER N    N N N 301 
SER CA   C N S 302 
SER C    C N N 303 
SER O    O N N 304 
SER CB   C N N 305 
SER OG   O N N 306 
SER OXT  O N N 307 
SER H    H N N 308 
SER H2   H N N 309 
SER HA   H N N 310 
SER HB2  H N N 311 
SER HB3  H N N 312 
SER HG   H N N 313 
SER HXT  H N N 314 
THR N    N N N 315 
THR CA   C N S 316 
THR C    C N N 317 
THR O    O N N 318 
THR CB   C N R 319 
THR OG1  O N N 320 
THR CG2  C N N 321 
THR OXT  O N N 322 
THR H    H N N 323 
THR H2   H N N 324 
THR HA   H N N 325 
THR HB   H N N 326 
THR HG1  H N N 327 
THR HG21 H N N 328 
THR HG22 H N N 329 
THR HG23 H N N 330 
THR HXT  H N N 331 
TRP N    N N N 332 
TRP CA   C N S 333 
TRP C    C N N 334 
TRP O    O N N 335 
TRP CB   C N N 336 
TRP CG   C Y N 337 
TRP CD1  C Y N 338 
TRP CD2  C Y N 339 
TRP NE1  N Y N 340 
TRP CE2  C Y N 341 
TRP CE3  C Y N 342 
TRP CZ2  C Y N 343 
TRP CZ3  C Y N 344 
TRP CH2  C Y N 345 
TRP OXT  O N N 346 
TRP H    H N N 347 
TRP H2   H N N 348 
TRP HA   H N N 349 
TRP HB2  H N N 350 
TRP HB3  H N N 351 
TRP HD1  H N N 352 
TRP HE1  H N N 353 
TRP HE3  H N N 354 
TRP HZ2  H N N 355 
TRP HZ3  H N N 356 
TRP HH2  H N N 357 
TRP HXT  H N N 358 
TYR N    N N N 359 
TYR CA   C N S 360 
TYR C    C N N 361 
TYR O    O N N 362 
TYR CB   C N N 363 
TYR CG   C Y N 364 
TYR CD1  C Y N 365 
TYR CD2  C Y N 366 
TYR CE1  C Y N 367 
TYR CE2  C Y N 368 
TYR CZ   C Y N 369 
TYR OH   O N N 370 
TYR OXT  O N N 371 
TYR H    H N N 372 
TYR H2   H N N 373 
TYR HA   H N N 374 
TYR HB2  H N N 375 
TYR HB3  H N N 376 
TYR HD1  H N N 377 
TYR HD2  H N N 378 
TYR HE1  H N N 379 
TYR HE2  H N N 380 
TYR HH   H N N 381 
TYR HXT  H N N 382 
VAL N    N N N 383 
VAL CA   C N S 384 
VAL C    C N N 385 
VAL O    O N N 386 
VAL CB   C N N 387 
VAL CG1  C N N 388 
VAL CG2  C N N 389 
VAL OXT  O N N 390 
VAL H    H N N 391 
VAL H2   H N N 392 
VAL HA   H N N 393 
VAL HB   H N N 394 
VAL HG11 H N N 395 
VAL HG12 H N N 396 
VAL HG13 H N N 397 
VAL HG21 H N N 398 
VAL HG22 H N N 399 
VAL HG23 H N N 400 
VAL HXT  H N N 401 
# 
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 
0PY C4  C5   doub Y N 1   
0PY N1  C5   sing Y N 2   
0PY C5  H5   sing N N 3   
0PY C1  N1   doub Y N 4   
0PY C3  C4   sing Y N 5   
0PY C4  H4   sing N N 6   
0PY C2  C3   doub Y N 7   
0PY C3  H3   sing N N 8   
0PY C2  C1   sing Y N 9   
0PY C2  H2   sing N N 10  
0PY C1  H1   sing N N 11  
ALA N   CA   sing N N 12  
ALA N   H    sing N N 13  
ALA N   H2   sing N N 14  
ALA CA  C    sing N N 15  
ALA CA  CB   sing N N 16  
ALA CA  HA   sing N N 17  
ALA C   O    doub N N 18  
ALA C   OXT  sing N N 19  
ALA CB  HB1  sing N N 20  
ALA CB  HB2  sing N N 21  
ALA CB  HB3  sing N N 22  
ALA OXT HXT  sing N N 23  
ARG N   CA   sing N N 24  
ARG N   H    sing N N 25  
ARG N   H2   sing N N 26  
ARG CA  C    sing N N 27  
ARG CA  CB   sing N N 28  
ARG CA  HA   sing N N 29  
ARG C   O    doub N N 30  
ARG C   OXT  sing N N 31  
ARG CB  CG   sing N N 32  
ARG CB  HB2  sing N N 33  
ARG CB  HB3  sing N N 34  
ARG CG  CD   sing N N 35  
ARG CG  HG2  sing N N 36  
ARG CG  HG3  sing N N 37  
ARG CD  NE   sing N N 38  
ARG CD  HD2  sing N N 39  
ARG CD  HD3  sing N N 40  
ARG NE  CZ   sing N N 41  
ARG NE  HE   sing N N 42  
ARG CZ  NH1  sing N N 43  
ARG CZ  NH2  doub N N 44  
ARG NH1 HH11 sing N N 45  
ARG NH1 HH12 sing N N 46  
ARG NH2 HH21 sing N N 47  
ARG NH2 HH22 sing N N 48  
ARG OXT HXT  sing N N 49  
ASN N   CA   sing N N 50  
ASN N   H    sing N N 51  
ASN N   H2   sing N N 52  
ASN CA  C    sing N N 53  
ASN CA  CB   sing N N 54  
ASN CA  HA   sing N N 55  
ASN C   O    doub N N 56  
ASN C   OXT  sing N N 57  
ASN CB  CG   sing N N 58  
ASN CB  HB2  sing N N 59  
ASN CB  HB3  sing N N 60  
ASN CG  OD1  doub N N 61  
ASN CG  ND2  sing N N 62  
ASN ND2 HD21 sing N N 63  
ASN ND2 HD22 sing N N 64  
ASN OXT HXT  sing N N 65  
ASP N   CA   sing N N 66  
ASP N   H    sing N N 67  
ASP N   H2   sing N N 68  
ASP CA  C    sing N N 69  
ASP CA  CB   sing N N 70  
ASP CA  HA   sing N N 71  
ASP C   O    doub N N 72  
ASP C   OXT  sing N N 73  
ASP CB  CG   sing N N 74  
ASP CB  HB2  sing N N 75  
ASP CB  HB3  sing N N 76  
ASP CG  OD1  doub N N 77  
ASP CG  OD2  sing N N 78  
ASP OD2 HD2  sing N N 79  
ASP OXT HXT  sing N N 80  
CYS N   CA   sing N N 81  
CYS N   H    sing N N 82  
CYS N   H2   sing N N 83  
CYS CA  C    sing N N 84  
CYS CA  CB   sing N N 85  
CYS CA  HA   sing N N 86  
CYS C   O    doub N N 87  
CYS C   OXT  sing N N 88  
CYS CB  SG   sing N N 89  
CYS CB  HB2  sing N N 90  
CYS CB  HB3  sing N N 91  
CYS SG  HG   sing N N 92  
CYS OXT HXT  sing N N 93  
GLN N   CA   sing N N 94  
GLN N   H    sing N N 95  
GLN N   H2   sing N N 96  
GLN CA  C    sing N N 97  
GLN CA  CB   sing N N 98  
GLN CA  HA   sing N N 99  
GLN C   O    doub N N 100 
GLN C   OXT  sing N N 101 
GLN CB  CG   sing N N 102 
GLN CB  HB2  sing N N 103 
GLN CB  HB3  sing N N 104 
GLN CG  CD   sing N N 105 
GLN CG  HG2  sing N N 106 
GLN CG  HG3  sing N N 107 
GLN CD  OE1  doub N N 108 
GLN CD  NE2  sing N N 109 
GLN NE2 HE21 sing N N 110 
GLN NE2 HE22 sing N N 111 
GLN OXT HXT  sing N N 112 
GLU N   CA   sing N N 113 
GLU N   H    sing N N 114 
GLU N   H2   sing N N 115 
GLU CA  C    sing N N 116 
GLU CA  CB   sing N N 117 
GLU CA  HA   sing N N 118 
GLU C   O    doub N N 119 
GLU C   OXT  sing N N 120 
GLU CB  CG   sing N N 121 
GLU CB  HB2  sing N N 122 
GLU CB  HB3  sing N N 123 
GLU CG  CD   sing N N 124 
GLU CG  HG2  sing N N 125 
GLU CG  HG3  sing N N 126 
GLU CD  OE1  doub N N 127 
GLU CD  OE2  sing N N 128 
GLU OE2 HE2  sing N N 129 
GLU OXT HXT  sing N N 130 
GLY N   CA   sing N N 131 
GLY N   H    sing N N 132 
GLY N   H2   sing N N 133 
GLY CA  C    sing N N 134 
GLY CA  HA2  sing N N 135 
GLY CA  HA3  sing N N 136 
GLY C   O    doub N N 137 
GLY C   OXT  sing N N 138 
GLY OXT HXT  sing N N 139 
HIS N   CA   sing N N 140 
HIS N   H    sing N N 141 
HIS N   H2   sing N N 142 
HIS CA  C    sing N N 143 
HIS CA  CB   sing N N 144 
HIS CA  HA   sing N N 145 
HIS C   O    doub N N 146 
HIS C   OXT  sing N N 147 
HIS CB  CG   sing N N 148 
HIS CB  HB2  sing N N 149 
HIS CB  HB3  sing N N 150 
HIS CG  ND1  sing Y N 151 
HIS CG  CD2  doub Y N 152 
HIS ND1 CE1  doub Y N 153 
HIS ND1 HD1  sing N N 154 
HIS CD2 NE2  sing Y N 155 
HIS CD2 HD2  sing N N 156 
HIS CE1 NE2  sing Y N 157 
HIS CE1 HE1  sing N N 158 
HIS NE2 HE2  sing N N 159 
HIS OXT HXT  sing N N 160 
HOH O   H1   sing N N 161 
HOH O   H2   sing N N 162 
ILE N   CA   sing N N 163 
ILE N   H    sing N N 164 
ILE N   H2   sing N N 165 
ILE CA  C    sing N N 166 
ILE CA  CB   sing N N 167 
ILE CA  HA   sing N N 168 
ILE C   O    doub N N 169 
ILE C   OXT  sing N N 170 
ILE CB  CG1  sing N N 171 
ILE CB  CG2  sing N N 172 
ILE CB  HB   sing N N 173 
ILE CG1 CD1  sing N N 174 
ILE CG1 HG12 sing N N 175 
ILE CG1 HG13 sing N N 176 
ILE CG2 HG21 sing N N 177 
ILE CG2 HG22 sing N N 178 
ILE CG2 HG23 sing N N 179 
ILE CD1 HD11 sing N N 180 
ILE CD1 HD12 sing N N 181 
ILE CD1 HD13 sing N N 182 
ILE OXT HXT  sing N N 183 
LEU N   CA   sing N N 184 
LEU N   H    sing N N 185 
LEU N   H2   sing N N 186 
LEU CA  C    sing N N 187 
LEU CA  CB   sing N N 188 
LEU CA  HA   sing N N 189 
LEU C   O    doub N N 190 
LEU C   OXT  sing N N 191 
LEU CB  CG   sing N N 192 
LEU CB  HB2  sing N N 193 
LEU CB  HB3  sing N N 194 
LEU CG  CD1  sing N N 195 
LEU CG  CD2  sing N N 196 
LEU CG  HG   sing N N 197 
LEU CD1 HD11 sing N N 198 
LEU CD1 HD12 sing N N 199 
LEU CD1 HD13 sing N N 200 
LEU CD2 HD21 sing N N 201 
LEU CD2 HD22 sing N N 202 
LEU CD2 HD23 sing N N 203 
LEU OXT HXT  sing N N 204 
LYS N   CA   sing N N 205 
LYS N   H    sing N N 206 
LYS N   H2   sing N N 207 
LYS CA  C    sing N N 208 
LYS CA  CB   sing N N 209 
LYS CA  HA   sing N N 210 
LYS C   O    doub N N 211 
LYS C   OXT  sing N N 212 
LYS CB  CG   sing N N 213 
LYS CB  HB2  sing N N 214 
LYS CB  HB3  sing N N 215 
LYS CG  CD   sing N N 216 
LYS CG  HG2  sing N N 217 
LYS CG  HG3  sing N N 218 
LYS CD  CE   sing N N 219 
LYS CD  HD2  sing N N 220 
LYS CD  HD3  sing N N 221 
LYS CE  NZ   sing N N 222 
LYS CE  HE2  sing N N 223 
LYS CE  HE3  sing N N 224 
LYS NZ  HZ1  sing N N 225 
LYS NZ  HZ2  sing N N 226 
LYS NZ  HZ3  sing N N 227 
LYS OXT HXT  sing N N 228 
MET N   CA   sing N N 229 
MET N   H    sing N N 230 
MET N   H2   sing N N 231 
MET CA  C    sing N N 232 
MET CA  CB   sing N N 233 
MET CA  HA   sing N N 234 
MET C   O    doub N N 235 
MET C   OXT  sing N N 236 
MET CB  CG   sing N N 237 
MET CB  HB2  sing N N 238 
MET CB  HB3  sing N N 239 
MET CG  SD   sing N N 240 
MET CG  HG2  sing N N 241 
MET CG  HG3  sing N N 242 
MET SD  CE   sing N N 243 
MET CE  HE1  sing N N 244 
MET CE  HE2  sing N N 245 
MET CE  HE3  sing N N 246 
MET OXT HXT  sing N N 247 
PHE N   CA   sing N N 248 
PHE N   H    sing N N 249 
PHE N   H2   sing N N 250 
PHE CA  C    sing N N 251 
PHE CA  CB   sing N N 252 
PHE CA  HA   sing N N 253 
PHE C   O    doub N N 254 
PHE C   OXT  sing N N 255 
PHE CB  CG   sing N N 256 
PHE CB  HB2  sing N N 257 
PHE CB  HB3  sing N N 258 
PHE CG  CD1  doub Y N 259 
PHE CG  CD2  sing Y N 260 
PHE CD1 CE1  sing Y N 261 
PHE CD1 HD1  sing N N 262 
PHE CD2 CE2  doub Y N 263 
PHE CD2 HD2  sing N N 264 
PHE CE1 CZ   doub Y N 265 
PHE CE1 HE1  sing N N 266 
PHE CE2 CZ   sing Y N 267 
PHE CE2 HE2  sing N N 268 
PHE CZ  HZ   sing N N 269 
PHE OXT HXT  sing N N 270 
PRO N   CA   sing N N 271 
PRO N   CD   sing N N 272 
PRO N   H    sing N N 273 
PRO CA  C    sing N N 274 
PRO CA  CB   sing N N 275 
PRO CA  HA   sing N N 276 
PRO C   O    doub N N 277 
PRO C   OXT  sing N N 278 
PRO CB  CG   sing N N 279 
PRO CB  HB2  sing N N 280 
PRO CB  HB3  sing N N 281 
PRO CG  CD   sing N N 282 
PRO CG  HG2  sing N N 283 
PRO CG  HG3  sing N N 284 
PRO CD  HD2  sing N N 285 
PRO CD  HD3  sing N N 286 
PRO OXT HXT  sing N N 287 
SER N   CA   sing N N 288 
SER N   H    sing N N 289 
SER N   H2   sing N N 290 
SER CA  C    sing N N 291 
SER CA  CB   sing N N 292 
SER CA  HA   sing N N 293 
SER C   O    doub N N 294 
SER C   OXT  sing N N 295 
SER CB  OG   sing N N 296 
SER CB  HB2  sing N N 297 
SER CB  HB3  sing N N 298 
SER OG  HG   sing N N 299 
SER OXT HXT  sing N N 300 
THR N   CA   sing N N 301 
THR N   H    sing N N 302 
THR N   H2   sing N N 303 
THR CA  C    sing N N 304 
THR CA  CB   sing N N 305 
THR CA  HA   sing N N 306 
THR C   O    doub N N 307 
THR C   OXT  sing N N 308 
THR CB  OG1  sing N N 309 
THR CB  CG2  sing N N 310 
THR CB  HB   sing N N 311 
THR OG1 HG1  sing N N 312 
THR CG2 HG21 sing N N 313 
THR CG2 HG22 sing N N 314 
THR CG2 HG23 sing N N 315 
THR OXT HXT  sing N N 316 
TRP N   CA   sing N N 317 
TRP N   H    sing N N 318 
TRP N   H2   sing N N 319 
TRP CA  C    sing N N 320 
TRP CA  CB   sing N N 321 
TRP CA  HA   sing N N 322 
TRP C   O    doub N N 323 
TRP C   OXT  sing N N 324 
TRP CB  CG   sing N N 325 
TRP CB  HB2  sing N N 326 
TRP CB  HB3  sing N N 327 
TRP CG  CD1  doub Y N 328 
TRP CG  CD2  sing Y N 329 
TRP CD1 NE1  sing Y N 330 
TRP CD1 HD1  sing N N 331 
TRP CD2 CE2  doub Y N 332 
TRP CD2 CE3  sing Y N 333 
TRP NE1 CE2  sing Y N 334 
TRP NE1 HE1  sing N N 335 
TRP CE2 CZ2  sing Y N 336 
TRP CE3 CZ3  doub Y N 337 
TRP CE3 HE3  sing N N 338 
TRP CZ2 CH2  doub Y N 339 
TRP CZ2 HZ2  sing N N 340 
TRP CZ3 CH2  sing Y N 341 
TRP CZ3 HZ3  sing N N 342 
TRP CH2 HH2  sing N N 343 
TRP OXT HXT  sing N N 344 
TYR N   CA   sing N N 345 
TYR N   H    sing N N 346 
TYR N   H2   sing N N 347 
TYR CA  C    sing N N 348 
TYR CA  CB   sing N N 349 
TYR CA  HA   sing N N 350 
TYR C   O    doub N N 351 
TYR C   OXT  sing N N 352 
TYR CB  CG   sing N N 353 
TYR CB  HB2  sing N N 354 
TYR CB  HB3  sing N N 355 
TYR CG  CD1  doub Y N 356 
TYR CG  CD2  sing Y N 357 
TYR CD1 CE1  sing Y N 358 
TYR CD1 HD1  sing N N 359 
TYR CD2 CE2  doub Y N 360 
TYR CD2 HD2  sing N N 361 
TYR CE1 CZ   doub Y N 362 
TYR CE1 HE1  sing N N 363 
TYR CE2 CZ   sing Y N 364 
TYR CE2 HE2  sing N N 365 
TYR CZ  OH   sing N N 366 
TYR OH  HH   sing N N 367 
TYR OXT HXT  sing N N 368 
VAL N   CA   sing N N 369 
VAL N   H    sing N N 370 
VAL N   H2   sing N N 371 
VAL CA  C    sing N N 372 
VAL CA  CB   sing N N 373 
VAL CA  HA   sing N N 374 
VAL C   O    doub N N 375 
VAL C   OXT  sing N N 376 
VAL CB  CG1  sing N N 377 
VAL CB  CG2  sing N N 378 
VAL CB  HB   sing N N 379 
VAL CG1 HG11 sing N N 380 
VAL CG1 HG12 sing N N 381 
VAL CG1 HG13 sing N N 382 
VAL CG2 HG21 sing N N 383 
VAL CG2 HG22 sing N N 384 
VAL CG2 HG23 sing N N 385 
VAL OXT HXT  sing N N 386 
# 
_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                    9HSO 
_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]   0.019984 
_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]   0.014368 
_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]   0.008534 
_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  ? -9.13027  -21.22438 -44.70373 1.000 79.86957  ? 616 LYS A N   1 
ATOM   2    C CA  . LYS A 1 39  ? -9.92612  -22.23772 -44.01320 1.000 80.65163  ? 616 LYS A CA  1 
ATOM   3    C C   . LYS A 1 39  ? -9.41999  -22.47545 -42.57695 1.000 76.97275  ? 616 LYS A C   1 
ATOM   4    O O   . LYS A 1 39  ? -10.19376 -22.85060 -41.69782 1.000 76.64645  ? 616 LYS A O   1 
ATOM   5    C CB  . LYS A 1 39  ? -9.92549  -23.55921 -44.80710 1.000 80.42885  ? 616 LYS A CB  1 
ATOM   6    C CG  . LYS A 1 39  ? -11.09764 -24.48884 -44.49761 1.000 79.72193  ? 616 LYS A CG  1 
ATOM   7    C CD  . LYS A 1 39  ? -12.39894 -23.90907 -45.05148 1.000 82.39821  ? 616 LYS A CD  1 
ATOM   8    C CE  . LYS A 1 39  ? -13.60754 -24.33335 -44.23238 1.000 84.82090  ? 616 LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 39  ? -14.79596 -23.48929 -44.55785 1.000 85.45147  ? 616 LYS A NZ  1 
ATOM   10   N N   . ASN A 1 40  ? -8.13094  -22.24590 -42.33069 1.000 67.15044  ? 617 ASN A N   1 
ATOM   11   C CA  . ASN A 1 40  ? -7.55190  -22.56918 -41.03105 1.000 66.13196  ? 617 ASN A CA  1 
ATOM   12   C C   . ASN A 1 40  ? -7.85974  -21.48165 -39.99861 1.000 64.76103  ? 617 ASN A C   1 
ATOM   13   O O   . ASN A 1 40  ? -7.57939  -20.30081 -40.22244 1.000 66.22408  ? 617 ASN A O   1 
ATOM   14   C CB  . ASN A 1 40  ? -6.04293  -22.78146 -41.15434 1.000 63.31241  ? 617 ASN A CB  1 
ATOM   15   C CG  . ASN A 1 40  ? -5.41703  -23.26933 -39.85036 1.000 63.95333  ? 617 ASN A CG  1 
ATOM   16   O OD1 . ASN A 1 40  ? -5.09318  -22.46717 -38.98284 1.000 62.43973  ? 617 ASN A OD1 1 
ATOM   17   N ND2 . ASN A 1 40  ? -5.24345  -24.58342 -39.71294 1.000 63.08461  ? 617 ASN A ND2 1 
ATOM   18   N N   . VAL A 1 41  ? -8.41211  -21.89723 -38.85523 1.000 53.23912  ? 618 VAL A N   1 
ATOM   19   C CA  . VAL A 1 41  ? -8.89951  -21.00732 -37.80026 1.000 50.38812  ? 618 VAL A CA  1 
ATOM   20   C C   . VAL A 1 41  ? -7.89544  -21.01693 -36.65287 1.000 48.77692  ? 618 VAL A C   1 
ATOM   21   O O   . VAL A 1 41  ? -7.46010  -22.09338 -36.21264 1.000 47.60423  ? 618 VAL A O   1 
ATOM   22   C CB  . VAL A 1 41  ? -10.29239 -21.45433 -37.31420 1.000 50.47891  ? 618 VAL A CB  1 
ATOM   23   C CG1 . VAL A 1 41  ? -10.86920 -20.48890 -36.31141 1.000 47.65693  ? 618 VAL A CG1 1 
ATOM   24   C CG2 . VAL A 1 41  ? -11.23132 -21.64325 -38.49111 1.000 51.97323  ? 618 VAL A CG2 1 
ATOM   25   N N   . VAL A 1 42  ? -7.53245  -19.82954 -36.15299 1.000 46.26069  ? 619 VAL A N   1 
ATOM   26   C CA  . VAL A 1 42  ? -6.56369  -19.71631 -35.05377 1.000 44.91807  ? 619 VAL A CA  1 
ATOM   27   C C   . VAL A 1 42  ? -7.31047  -19.53975 -33.72943 1.000 41.98392  ? 619 VAL A C   1 
ATOM   28   O O   . VAL A 1 42  ? -8.05775  -18.56914 -33.54654 1.000 42.00718  ? 619 VAL A O   1 
ATOM   29   C CB  . VAL A 1 42  ? -5.56961  -18.56820 -35.29166 1.000 42.53517  ? 619 VAL A CB  1 
ATOM   30   C CG1 . VAL A 1 42  ? -4.59174  -18.48075 -34.13935 1.000 38.81762  ? 619 VAL A CG1 1 
ATOM   31   C CG2 . VAL A 1 42  ? -4.84360  -18.78160 -36.59698 1.000 44.78349  ? 619 VAL A CG2 1 
ATOM   32   N N   . ILE A 1 43  ? -7.10817  -20.47755 -32.80124 1.000 45.98444  ? 620 ILE A N   1 
ATOM   33   C CA  . ILE A 1 43  ? -7.77405  -20.48581 -31.50152 1.000 43.62169  ? 620 ILE A CA  1 
ATOM   34   C C   . ILE A 1 43  ? -6.72729  -20.20859 -30.43235 1.000 43.98400  ? 620 ILE A C   1 
ATOM   35   O O   . ILE A 1 43  ? -5.61790  -20.76664 -30.47572 1.000 41.96119  ? 620 ILE A O   1 
ATOM   36   C CB  . ILE A 1 43  ? -8.45998  -21.83777 -31.22363 1.000 44.16993  ? 620 ILE A CB  1 
ATOM   37   C CG1 . ILE A 1 43  ? -9.31795  -22.27862 -32.41434 1.000 48.90495  ? 620 ILE A CG1 1 
ATOM   38   C CG2 . ILE A 1 43  ? -9.25518  -21.79662 -29.90512 1.000 43.20208  ? 620 ILE A CG2 1 
ATOM   39   C CD1 . ILE A 1 43  ? -10.58979 -21.48656 -32.57310 1.000 49.67784  ? 620 ILE A CD1 1 
ATOM   40   N N   . TYR A 1 44  ? -7.08742  -19.36828 -29.46142 1.000 45.39116  ? 621 TYR A N   1 
ATOM   41   C CA  . TYR A 1 44  ? -6.18631  -18.95865 -28.38566 1.000 47.01753  ? 621 TYR A CA  1 
ATOM   42   C C   . TYR A 1 44  ? -6.78153  -19.36291 -27.04001 1.000 46.08698  ? 621 TYR A C   1 
ATOM   43   O O   . TYR A 1 44  ? -7.86194  -18.88718 -26.67070 1.000 45.62394  ? 621 TYR A O   1 
ATOM   44   C CB  . TYR A 1 44  ? -5.93272  -17.44711 -28.42753 1.000 44.25017  ? 621 TYR A CB  1 
ATOM   45   C CG  . TYR A 1 44  ? -5.05850  -17.01012 -27.30538 1.000 46.36711  ? 621 TYR A CG  1 
ATOM   46   C CD1 . TYR A 1 44  ? -3.75645  -17.49050 -27.20124 1.000 46.76921  ? 621 TYR A CD1 1 
ATOM   47   C CD2 . TYR A 1 44  ? -5.52708  -16.14676 -26.32053 1.000 46.57003  ? 621 TYR A CD2 1 
ATOM   48   C CE1 . TYR A 1 44  ? -2.93968  -17.11438 -26.15771 1.000 44.17333  ? 621 TYR A CE1 1 
ATOM   49   C CE2 . TYR A 1 44  ? -4.71063  -15.76478 -25.27119 1.000 48.02980  ? 621 TYR A CE2 1 
ATOM   50   C CZ  . TYR A 1 44  ? -3.41233  -16.26184 -25.19465 1.000 45.93984  ? 621 TYR A CZ  1 
ATOM   51   O OH  . TYR A 1 44  ? -2.58959  -15.89965 -24.14591 1.000 46.76201  ? 621 TYR A OH  1 
ATOM   52   N N   . ALA A 1 45  ? -6.07566  -20.22716 -26.30686 1.000 43.15608  ? 622 ALA A N   1 
ATOM   53   C CA  . ALA A 1 45  ? -6.51702  -20.72726 -24.99918 1.000 45.53825  ? 622 ALA A CA  1 
ATOM   54   C C   . ALA A 1 45  ? -5.45597  -20.40596 -23.95307 1.000 45.68353  ? 622 ALA A C   1 
ATOM   55   O O   . ALA A 1 45  ? -4.39190  -21.03684 -23.92570 1.000 45.56836  ? 622 ALA A O   1 
ATOM   56   C CB  . ALA A 1 45  ? -6.77151  -22.23396 -25.04843 1.000 46.10371  ? 622 ALA A CB  1 
ATOM   57   N N   . ASP A 1 46  ? -5.72702  -19.43394 -23.10007 1.000 48.94561  ? 623 ASP A N   1 
ATOM   58   C CA  . ASP A 1 46  ? -4.76700  -19.06500 -22.06908 1.000 50.34404  ? 623 ASP A CA  1 
ATOM   59   C C   . ASP A 1 46  ? -5.18698  -19.64583 -20.71956 1.000 52.32112  ? 623 ASP A C   1 
ATOM   60   O O   . ASP A 1 46  ? -6.34382  -20.01824 -20.50034 1.000 53.65283  ? 623 ASP A O   1 
ATOM   61   C CB  . ASP A 1 46  ? -4.63066  -17.53543 -21.98488 1.000 53.11973  ? 623 ASP A CB  1 
ATOM   62   C CG  . ASP A 1 46  ? -5.96116  -16.84748 -21.76306 1.000 54.80463  ? 623 ASP A CG  1 
ATOM   63   O OD1 . ASP A 1 46  ? -7.00644  -17.51405 -21.96671 1.000 59.33995  ? 623 ASP A OD1 1 
ATOM   64   O OD2 . ASP A 1 46  ? -5.98029  -15.66659 -21.35681 1.000 52.52303  ? 623 ASP A OD2 1 
ATOM   65   N N   . GLY A 1 47  ? -4.22350  -19.72205 -19.81419 1.000 58.47673  ? 624 GLY A N   1 
ATOM   66   C CA  . GLY A 1 47  ? -4.46861  -20.27909 -18.49905 1.000 56.34184  ? 624 GLY A CA  1 
ATOM   67   C C   . GLY A 1 47  ? -3.16049  -20.48374 -17.76770 1.000 58.60524  ? 624 GLY A C   1 
ATOM   68   O O   . GLY A 1 47  ? -2.07131  -20.25427 -18.31045 1.000 57.09077  ? 624 GLY A O   1 
ATOM   69   N N   . VAL A 1 48  ? -3.28786  -20.91140 -16.51173 1.000 49.40169  ? 625 VAL A N   1 
ATOM   70   C CA  . VAL A 1 48  ? -2.10164  -21.19307 -15.71121 1.000 49.03628  ? 625 VAL A CA  1 
ATOM   71   C C   . VAL A 1 48  ? -1.50898  -22.54279 -16.08840 1.000 50.47288  ? 625 VAL A C   1 
ATOM   72   O O   . VAL A 1 48  ? -0.28116  -22.71676 -16.09291 1.000 49.54440  ? 625 VAL A O   1 
ATOM   73   C CB  . VAL A 1 48  ? -2.45542  -21.14108 -14.21631 1.000 48.80329  ? 625 VAL A CB  1 
ATOM   74   C CG1 . VAL A 1 48  ? -1.17556  -21.25619 -13.35723 1.000 49.90254  ? 625 VAL A CG1 1 
ATOM   75   C CG2 . VAL A 1 48  ? -3.20573  -19.87635 -13.89277 1.000 46.34221  ? 625 VAL A CG2 1 
ATOM   76   N N   . TYR A 1 49  ? -2.37540  -23.51235 -16.39557 1.000 49.40139  ? 626 TYR A N   1 
ATOM   77   C CA  . TYR A 1 49  ? -1.99140  -24.89325 -16.69892 1.000 49.46229  ? 626 TYR A CA  1 
ATOM   78   C C   . TYR A 1 49  ? -1.01856  -25.46325 -15.66447 1.000 51.71054  ? 626 TYR A C   1 
ATOM   79   O O   . TYR A 1 49  ? -0.09470  -26.22267 -15.98779 1.000 51.30558  ? 626 TYR A O   1 
ATOM   80   C CB  . TYR A 1 49  ? -1.42758  -24.99478 -18.11118 1.000 49.13750  ? 626 TYR A CB  1 
ATOM   81   C CG  . TYR A 1 49  ? -2.40107  -24.52369 -19.16887 1.000 48.41218  ? 626 TYR A CG  1 
ATOM   82   C CD1 . TYR A 1 49  ? -3.46926  -25.32684 -19.56765 1.000 49.42087  ? 626 TYR A CD1 1 
ATOM   83   C CD2 . TYR A 1 49  ? -2.25952  -23.27356 -19.76534 1.000 47.29951  ? 626 TYR A CD2 1 
ATOM   84   C CE1 . TYR A 1 49  ? -4.35818  -24.89980 -20.52949 1.000 47.26455  ? 626 TYR A CE1 1 
ATOM   85   C CE2 . TYR A 1 49  ? -3.16011  -22.83333 -20.72698 1.000 46.43434  ? 626 TYR A CE2 1 
ATOM   86   C CZ  . TYR A 1 49  ? -4.19812  -23.65851 -21.10807 1.000 46.75714  ? 626 TYR A CZ  1 
ATOM   87   O OH  . TYR A 1 49  ? -5.08243  -23.24145 -22.06612 1.000 46.95825  ? 626 TYR A OH  1 
ATOM   88   N N   . ASP A 1 50  ? -1.23825  -25.10371 -14.40340 1.000 47.84012  ? 627 ASP A N   1 
ATOM   89   C CA  . ASP A 1 50  ? -0.47159  -25.68061 -13.30776 1.000 51.96068  ? 627 ASP A CA  1 
ATOM   90   C C   . ASP A 1 50  ? -0.85424  -27.14461 -13.09946 1.000 52.79884  ? 627 ASP A C   1 
ATOM   91   O O   . ASP A 1 50  ? -2.03807  -27.49929 -13.09717 1.000 51.10254  ? 627 ASP A O   1 
ATOM   92   C CB  . ASP A 1 50  ? -0.72834  -24.88921 -12.01888 1.000 52.74879  ? 627 ASP A CB  1 
ATOM   93   C CG  . ASP A 1 50  ? 0.31852   -25.14259 -10.95072 1.000 55.07560  ? 627 ASP A CG  1 
ATOM   94   O OD1 . ASP A 1 50  ? 1.43318   -25.55838 -11.30699 1.000 54.96442  ? 627 ASP A OD1 1 
ATOM   95   O OD2 . ASP A 1 50  ? 0.02449   -24.91624 -9.75321  1.000 57.96551  ? 627 ASP A OD2 1 
ATOM   96   N N   . MET A 1 51  ? 0.14964   -27.99633 -12.92231 1.000 51.08788  ? 628 MET A N   1 
ATOM   97   C CA  . MET A 1 51  ? -0.05882  -29.41322 -12.62949 1.000 53.19424  ? 628 MET A CA  1 
ATOM   98   C C   . MET A 1 51  ? -1.11243  -30.03747 -13.55448 1.000 53.28535  ? 628 MET A C   1 
ATOM   99   O O   . MET A 1 51  ? -2.12232  -30.59884 -13.12288 1.000 52.48487  ? 628 MET A O   1 
ATOM   100  C CB  . MET A 1 51  ? -0.42712  -29.59437 -11.16489 1.000 55.17210  ? 628 MET A CB  1 
ATOM   101  C CG  . MET A 1 51  ? 0.65835   -29.13419 -10.21958 1.000 55.60848  ? 628 MET A CG  1 
ATOM   102  S SD  . MET A 1 51  ? 0.17398   -29.48465 -8.52100  1.000 67.17517  ? 628 MET A SD  1 
ATOM   103  C CE  . MET A 1 51  ? -1.11813  -28.25805 -8.21301  1.000 56.99710  ? 628 MET A CE  1 
ATOM   104  N N   . LEU A 1 52  ? -0.81411  -29.95884 -14.85238 1.000 50.71158  ? 629 LEU A N   1 
ATOM   105  C CA  . LEU A 1 52  ? -1.72728  -30.35456 -15.92863 1.000 49.79212  ? 629 LEU A CA  1 
ATOM   106  C C   . LEU A 1 52  ? -2.39592  -31.69882 -15.67878 1.000 48.46346  ? 629 LEU A C   1 
ATOM   107  O O   . LEU A 1 52  ? -1.72389  -32.71329 -15.50976 1.000 51.18226  ? 629 LEU A O   1 
ATOM   108  C CB  . LEU A 1 52  ? -0.94979  -30.42830 -17.24395 1.000 48.61077  ? 629 LEU A CB  1 
ATOM   109  C CG  . LEU A 1 52  ? -1.75305  -30.21073 -18.52769 1.000 46.78042  ? 629 LEU A CG  1 
ATOM   110  C CD1 . LEU A 1 52  ? -2.01949  -28.73860 -18.70131 1.000 46.26381  ? 629 LEU A CD1 1 
ATOM   111  C CD2 . LEU A 1 52  ? -1.01572  -30.77632 -19.74339 1.000 44.63842  ? 629 LEU A CD2 1 
ATOM   112  N N   . HIS A 1 53  ? -3.72384  -31.72425 -15.73759 1.000 58.34419  ? 630 HIS A N   1 
ATOM   113  C CA  . HIS A 1 53  ? -4.46908  -32.96140 -15.54291 1.000 60.36248  ? 630 HIS A CA  1 
ATOM   114  C C   . HIS A 1 53  ? -5.45070  -33.18655 -16.69886 1.000 57.52041  ? 630 HIS A C   1 
ATOM   115  O O   . HIS A 1 53  ? -5.59331  -32.36311 -17.60364 1.000 56.77427  ? 630 HIS A O   1 
ATOM   116  C CB  . HIS A 1 53  ? -5.19379  -32.94980 -14.19107 1.000 60.02691  ? 630 HIS A CB  1 
ATOM   117  C CG  . HIS A 1 53  ? -5.99306  -31.70670 -13.94167 1.000 63.59047  ? 630 HIS A CG  1 
ATOM   118  N ND1 . HIS A 1 53  ? -7.30978  -31.57018 -14.33672 1.000 64.80884  ? 630 HIS A ND1 1 
ATOM   119  C CD2 . HIS A 1 53  ? -5.66761  -30.54792 -13.31779 1.000 64.05143  ? 630 HIS A CD2 1 
ATOM   120  C CE1 . HIS A 1 53  ? -7.75960  -30.38179 -13.96937 1.000 63.84051  ? 630 HIS A CE1 1 
ATOM   121  N NE2 . HIS A 1 53  ? -6.78430  -29.74330 -13.34547 1.000 64.97111  ? 630 HIS A NE2 1 
ATOM   122  N N   . LEU A 1 54  ? -6.14605  -34.32566 -16.64155 1.000 49.50166  ? 631 LEU A N   1 
ATOM   123  C CA  . LEU A 1 54  ? -7.07823  -34.71074 -17.69814 1.000 48.31099  ? 631 LEU A CA  1 
ATOM   124  C C   . LEU A 1 54  ? -8.12034  -33.63192 -17.96820 1.000 49.29977  ? 631 LEU A C   1 
ATOM   125  O O   . LEU A 1 54  ? -8.60361  -33.49916 -19.10259 1.000 47.14212  ? 631 LEU A O   1 
ATOM   126  C CB  . LEU A 1 54  ? -7.75554  -36.01819 -17.32020 1.000 47.71784  ? 631 LEU A CB  1 
ATOM   127  C CG  . LEU A 1 54  ? -8.79147  -36.57393 -18.28663 1.000 50.41779  ? 631 LEU A CG  1 
ATOM   128  C CD1 . LEU A 1 54  ? -8.13673  -36.94776 -19.59654 1.000 46.63265  ? 631 LEU A CD1 1 
ATOM   129  C CD2 . LEU A 1 54  ? -9.51264  -37.77575 -17.67253 1.000 49.77513  ? 631 LEU A CD2 1 
ATOM   130  N N   . GLY A 1 55  ? -8.46744  -32.84492 -16.95050 1.000 49.93486  ? 632 GLY A N   1 
ATOM   131  C CA  . GLY A 1 55  ? -9.40005  -31.75275 -17.15988 1.000 49.88771  ? 632 GLY A CA  1 
ATOM   132  C C   . GLY A 1 55  ? -8.85901  -30.68255 -18.08515 1.000 50.42868  ? 632 GLY A C   1 
ATOM   133  O O   . GLY A 1 55  ? -9.59813  -30.14812 -18.91857 1.000 49.38797  ? 632 GLY A O   1 
ATOM   134  N N   . HIS A 1 56  ? -7.56708  -30.33320 -17.93591 1.000 55.58375  ? 633 HIS A N   1 
ATOM   135  C CA  . HIS A 1 56  ? -6.92226  -29.42179 -18.88252 1.000 54.16223  ? 633 HIS A CA  1 
ATOM   136  C C   . HIS A 1 56  ? -6.90214  -30.01696 -20.27918 1.000 54.84681  ? 633 HIS A C   1 
ATOM   137  O O   . HIS A 1 56  ? -7.20109  -29.33787 -21.27338 1.000 54.88715  ? 633 HIS A O   1 
ATOM   138  C CB  . HIS A 1 56  ? -5.48060  -29.11333 -18.46733 1.000 53.17168  ? 633 HIS A CB  1 
ATOM   139  C CG  . HIS A 1 56  ? -5.35979  -28.31554 -17.21418 1.000 55.25626  ? 633 HIS A CG  1 
ATOM   140  N ND1 . HIS A 1 56  ? -5.16410  -28.89511 -15.97713 1.000 54.97431  ? 633 HIS A ND1 1 
ATOM   141  C CD2 . HIS A 1 56  ? -5.37149  -26.97828 -17.00628 1.000 55.90537  ? 633 HIS A CD2 1 
ATOM   142  C CE1 . HIS A 1 56  ? -5.07392  -27.94866 -15.06112 1.000 55.53724  ? 633 HIS A CE1 1 
ATOM   143  N NE2 . HIS A 1 56  ? -5.18292  -26.77636 -15.65928 1.000 55.17882  ? 633 HIS A NE2 1 
ATOM   144  N N   . MET A 1 57  ? -6.48817  -31.27532 -20.38056 1.000 52.09313  ? 634 MET A N   1 
ATOM   145  C CA  . MET A 1 57  ? -6.31292  -31.85563 -21.70041 1.000 50.07582  ? 634 MET A CA  1 
ATOM   146  C C   . MET A 1 57  ? -7.64041  -31.94064 -22.44242 1.000 48.24088  ? 634 MET A C   1 
ATOM   147  O O   . MET A 1 57  ? -7.70037  -31.63851 -23.63310 1.000 50.05560  ? 634 MET A O   1 
ATOM   148  C CB  . MET A 1 57  ? -5.65009  -33.21818 -21.56862 1.000 49.27442  ? 634 MET A CB  1 
ATOM   149  C CG  . MET A 1 57  ? -4.46051  -33.20132 -20.61875 1.000 49.80509  ? 634 MET A CG  1 
ATOM   150  S SD  . MET A 1 57  ? -3.80098  -34.85092 -20.29900 1.000 51.04337  ? 634 MET A SD  1 
ATOM   151  C CE  . MET A 1 57  ? -2.54623  -34.48542 -19.04720 1.000 54.03688  ? 634 MET A CE  1 
ATOM   152  N N   . LYS A 1 58  ? -8.72214  -32.32000 -21.76584 1.000 46.58005  ? 635 LYS A N   1 
ATOM   153  C CA  . LYS A 1 58  ? -10.01405 -32.34944 -22.45106 1.000 48.17878  ? 635 LYS A CA  1 
ATOM   154  C C   . LYS A 1 58  ? -10.40283 -30.96070 -22.91874 1.000 49.55330  ? 635 LYS A C   1 
ATOM   155  O O   . LYS A 1 58  ? -10.86433 -30.77804 -24.05657 1.000 49.85641  ? 635 LYS A O   1 
ATOM   156  C CB  . LYS A 1 58  ? -11.08752 -32.92029 -21.53575 1.000 48.96912  ? 635 LYS A CB  1 
ATOM   157  C CG  . LYS A 1 58  ? -10.87746 -34.37355 -21.18822 1.000 50.78955  ? 635 LYS A CG  1 
ATOM   158  C CD  . LYS A 1 58  ? -11.57956 -34.72335 -19.90088 1.000 54.24562  ? 635 LYS A CD  1 
ATOM   159  C CE  . LYS A 1 58  ? -13.07767 -34.78467 -20.09705 1.000 56.65188  ? 635 LYS A CE  1 
ATOM   160  N NZ  . LYS A 1 58  ? -13.36964 -35.75446 -21.18435 1.000 61.03905  ? 635 LYS A NZ  1 
ATOM   161  N N   . GLN A 1 59  ? -10.19967 -29.96785 -22.05182 1.000 55.71692  ? 636 GLN A N   1 
ATOM   162  C CA  . GLN A 1 59  ? -10.43052 -28.57810 -22.40855 1.000 57.63211  ? 636 GLN A CA  1 
ATOM   163  C C   . GLN A 1 59  ? -9.64255  -28.19664 -23.65325 1.000 56.05527  ? 636 GLN A C   1 
ATOM   164  O O   . GLN A 1 59  ? -10.20467 -27.66900 -24.61963 1.000 56.22989  ? 636 GLN A O   1 
ATOM   165  C CB  . GLN A 1 59  ? -10.04525 -27.68860 -21.22925 1.000 59.07337  ? 636 GLN A CB  1 
ATOM   166  C CG  . GLN A 1 59  ? -10.43876 -26.24356 -21.37559 1.000 62.52136  ? 636 GLN A CG  1 
ATOM   167  C CD  . GLN A 1 59  ? -10.77337 -25.62414 -20.02489 1.000 66.37583  ? 636 GLN A CD  1 
ATOM   168  O OE1 . GLN A 1 59  ? -10.12490 -25.92462 -19.00911 1.000 62.27018  ? 636 GLN A OE1 1 
ATOM   169  N NE2 . GLN A 1 59  ? -11.79811 -24.76620 -20.00009 1.000 66.75850  ? 636 GLN A NE2 1 
ATOM   170  N N   . LEU A 1 60  ? -8.33162  -28.45244 -23.64951 1.000 48.30167  ? 637 LEU A N   1 
ATOM   171  C CA  . LEU A 1 60  ? -7.52385  -28.12187 -24.82144 1.000 47.99147  ? 637 LEU A CA  1 
ATOM   172  C C   . LEU A 1 60  ? -8.02196  -28.87271 -26.06114 1.000 47.06728  ? 637 LEU A C   1 
ATOM   173  O O   . LEU A 1 60  ? -8.17481  -28.28600 -27.14057 1.000 45.00240  ? 637 LEU A O   1 
ATOM   174  C CB  . LEU A 1 60  ? -6.04717  -28.42443 -24.54999 1.000 43.63904  ? 637 LEU A CB  1 
ATOM   175  C CG  . LEU A 1 60  ? -5.33295  -27.52790 -23.54095 1.000 44.96398  ? 637 LEU A CG  1 
ATOM   176  C CD1 . LEU A 1 60  ? -3.88591  -27.98505 -23.35206 1.000 45.08603  ? 637 LEU A CD1 1 
ATOM   177  C CD2 . LEU A 1 60  ? -5.35694  -26.06734 -23.97808 1.000 44.82095  ? 637 LEU A CD2 1 
ATOM   178  N N   . GLU A 1 61  ? -8.28477  -30.17313 -25.92477 1.000 45.27012  ? 638 GLU A N   1 
ATOM   179  C CA  . GLU A 1 61  ? -8.86528  -30.91446 -27.03714 1.000 46.49085  ? 638 GLU A CA  1 
ATOM   180  C C   . GLU A 1 61  ? -10.14096 -30.24500 -27.53224 1.000 49.48725  ? 638 GLU A C   1 
ATOM   181  O O   . GLU A 1 61  ? -10.41139 -30.21394 -28.74102 1.000 47.74333  ? 638 GLU A O   1 
ATOM   182  C CB  . GLU A 1 61  ? -9.17638  -32.36129 -26.63838 1.000 46.18115  ? 638 GLU A CB  1 
ATOM   183  C CG  . GLU A 1 61  ? -9.75239  -33.17865 -27.79232 1.000 47.17018  ? 638 GLU A CG  1 
ATOM   184  C CD  . GLU A 1 61  ? -10.40130 -34.49545 -27.37036 1.000 48.83730  ? 638 GLU A CD  1 
ATOM   185  O OE1 . GLU A 1 61  ? -10.65147 -34.69643 -26.16530 1.000 49.80949  ? 638 GLU A OE1 1 
ATOM   186  O OE2 . GLU A 1 61  ? -10.69092 -35.32778 -28.26143 1.000 49.80910  ? 638 GLU A OE2 1 
ATOM   187  N N   . GLN A 1 62  ? -10.95244 -29.72197 -26.61315 1.000 45.28812  ? 639 GLN A N   1 
ATOM   188  C CA  . GLN A 1 62  ? -12.20785 -29.11314 -27.03603 1.000 49.61366  ? 639 GLN A CA  1 
ATOM   189  C C   . GLN A 1 62  ? -11.93659 -27.87280 -27.87549 1.000 50.02271  ? 639 GLN A C   1 
ATOM   190  O O   . GLN A 1 62  ? -12.45648 -27.72659 -28.99176 1.000 48.38765  ? 639 GLN A O   1 
ATOM   191  C CB  . GLN A 1 62  ? -13.06572 -28.77614 -25.81969 1.000 50.19310  ? 639 GLN A CB  1 
ATOM   192  C CG  . GLN A 1 62  ? -14.47188 -28.43664 -26.17797 1.000 52.69185  ? 639 GLN A CG  1 
ATOM   193  C CD  . GLN A 1 62  ? -15.28935 -27.96181 -24.98732 1.000 57.03422  ? 639 GLN A CD  1 
ATOM   194  O OE1 . GLN A 1 62  ? -14.98266 -28.26600 -23.81915 1.000 55.78968  ? 639 GLN A OE1 1 
ATOM   195  N NE2 . GLN A 1 62  ? -16.34204 -27.20278 -25.27735 1.000 58.90245  ? 639 GLN A NE2 1 
ATOM   196  N N   . ALA A 1 63  ? -11.08203 -26.98489 -27.36887 1.000 46.84691  ? 640 ALA A N   1 
ATOM   197  C CA  . ALA A 1 63  ? -10.69729 -25.81786 -28.14837 1.000 48.05471  ? 640 ALA A CA  1 
ATOM   198  C C   . ALA A 1 63  ? -10.13495 -26.22777 -29.50516 1.000 46.93150  ? 640 ALA A C   1 
ATOM   199  O O   . ALA A 1 63  ? -10.51150 -25.67276 -30.54061 1.000 48.01589  ? 640 ALA A O   1 
ATOM   200  C CB  . ALA A 1 63  ? -9.68876  -24.97133 -27.36649 1.000 45.19966  ? 640 ALA A CB  1 
ATOM   201  N N   . LYS A 1 64  ? -9.22699  -27.20360 -29.52341 1.000 44.05514  ? 641 LYS A N   1 
ATOM   202  C CA  . LYS A 1 64  ? -8.59298  -27.59055 -30.78305 1.000 42.80283  ? 641 LYS A CA  1 
ATOM   203  C C   . LYS A 1 64  ? -9.63325  -27.99817 -31.81749 1.000 44.80112  ? 641 LYS A C   1 
ATOM   204  O O   . LYS A 1 64  ? -9.50292  -27.66862 -33.00084 1.000 43.50008  ? 641 LYS A O   1 
ATOM   205  C CB  . LYS A 1 64  ? -7.58760  -28.72715 -30.54658 1.000 39.35230  ? 641 LYS A CB  1 
ATOM   206  C CG  . LYS A 1 64  ? -7.08724  -29.41577 -31.81888 1.000 39.83947  ? 641 LYS A CG  1 
ATOM   207  C CD  . LYS A 1 64  ? -6.10447  -28.53361 -32.54920 1.000 40.63226  ? 641 LYS A CD  1 
ATOM   208  C CE  . LYS A 1 64  ? -5.46610  -29.22513 -33.72635 1.000 38.95727  ? 641 LYS A CE  1 
ATOM   209  N NZ  . LYS A 1 64  ? -5.08064  -28.20089 -34.72673 1.000 43.57666  ? 641 LYS A NZ  1 
ATOM   210  N N   . LYS A 1 65  ? -10.67467 -28.71133 -31.38677 1.000 51.79528  ? 642 LYS A N   1 
ATOM   211  C CA  . LYS A 1 65  ? -11.68988 -29.25902 -32.27496 1.000 51.76176  ? 642 LYS A CA  1 
ATOM   212  C C   . LYS A 1 65  ? -12.87689 -28.32543 -32.44838 1.000 55.15597  ? 642 LYS A C   1 
ATOM   213  O O   . LYS A 1 65  ? -13.92989 -28.75719 -32.93255 1.000 52.60778  ? 642 LYS A O   1 
ATOM   214  C CB  . LYS A 1 65  ? -12.16724 -30.62535 -31.76438 1.000 50.89994  ? 642 LYS A CB  1 
ATOM   215  C CG  . LYS A 1 65  ? -11.11932 -31.73664 -31.92258 1.000 51.05590  ? 642 LYS A CG  1 
ATOM   216  C CD  . LYS A 1 65  ? -11.57017 -33.04688 -31.30291 1.000 49.73913  ? 642 LYS A CD  1 
ATOM   217  C CE  . LYS A 1 65  ? -10.58690 -34.17521 -31.63589 1.000 51.40109  ? 642 LYS A CE  1 
ATOM   218  N NZ  . LYS A 1 65  ? -10.90833 -35.46089 -30.92795 1.000 49.69073  ? 642 LYS A NZ  1 
ATOM   219  N N   . LEU A 1 66  ? -12.73426 -27.05507 -32.07003 1.000 49.58191  ? 643 LEU A N   1 
ATOM   220  C CA  . LEU A 1 66  ? -13.84871 -26.13742 -32.26406 1.000 51.15087  ? 643 LEU A CA  1 
ATOM   221  C C   . LEU A 1 66  ? -14.22881 -26.03301 -33.73461 1.000 49.99636  ? 643 LEU A C   1 
ATOM   222  O O   . LEU A 1 66  ? -15.40682 -25.84938 -34.05110 1.000 50.60649  ? 643 LEU A O   1 
ATOM   223  C CB  . LEU A 1 66  ? -13.50915 -24.76304 -31.68866 1.000 50.79991  ? 643 LEU A CB  1 
ATOM   224  C CG  . LEU A 1 66  ? -13.51611 -24.72930 -30.16163 1.000 50.76497  ? 643 LEU A CG  1 
ATOM   225  C CD1 . LEU A 1 66  ? -13.21368 -23.31623 -29.64956 1.000 49.68030  ? 643 LEU A CD1 1 
ATOM   226  C CD2 . LEU A 1 66  ? -14.84201 -25.25655 -29.62485 1.000 49.95210  ? 643 LEU A CD2 1 
ATOM   227  N N   . PHE A 1 67  ? -13.25738 -26.15495 -34.64330 1.000 53.82464  ? 644 PHE A N   1 
ATOM   228  C CA  . PHE A 1 67  ? -13.51239 -26.13584 -36.08411 1.000 54.68563  ? 644 PHE A CA  1 
ATOM   229  C C   . PHE A 1 67  ? -12.66514 -27.21315 -36.75407 1.000 54.94411  ? 644 PHE A C   1 
ATOM   230  O O   . PHE A 1 67  ? -11.69230 -27.70542 -36.17749 1.000 55.21666  ? 644 PHE A O   1 
ATOM   231  C CB  . PHE A 1 67  ? -13.21545 -24.76064 -36.71480 1.000 54.31251  ? 644 PHE A CB  1 
ATOM   232  C CG  . PHE A 1 67  ? -14.04245 -23.63039 -36.14150 1.000 56.66482  ? 644 PHE A CG  1 
ATOM   233  C CD1 . PHE A 1 67  ? -15.32761 -23.37551 -36.61134 1.000 57.16895  ? 644 PHE A CD1 1 
ATOM   234  C CD2 . PHE A 1 67  ? -13.53705 -22.82495 -35.12223 1.000 55.36451  ? 644 PHE A CD2 1 
ATOM   235  C CE1 . PHE A 1 67  ? -16.09200 -22.33369 -36.08539 1.000 56.94420  ? 644 PHE A CE1 1 
ATOM   236  C CE2 . PHE A 1 67  ? -14.29423 -21.78858 -34.58782 1.000 53.80954  ? 644 PHE A CE2 1 
ATOM   237  C CZ  . PHE A 1 67  ? -15.57335 -21.53887 -35.06868 1.000 55.35091  ? 644 PHE A CZ  1 
ATOM   238  N N   . GLU A 1 68  ? -13.04457 -27.56726 -37.98842 1.000 53.62811  ? 645 GLU A N   1 
ATOM   239  C CA  . GLU A 1 68  ? -12.39099 -28.66278 -38.70945 1.000 53.98624  ? 645 GLU A CA  1 
ATOM   240  C C   . GLU A 1 68  ? -10.88259 -28.45138 -38.82946 1.000 53.65310  ? 645 GLU A C   1 
ATOM   241  O O   . GLU A 1 68  ? -10.09032 -29.34894 -38.53042 1.000 52.73465  ? 645 GLU A O   1 
ATOM   242  C CB  . GLU A 1 68  ? -13.01768 -28.81966 -40.10032 1.000 53.50788  ? 645 GLU A CB  1 
ATOM   243  N N   . ASN A 1 69  ? -10.46274 -27.27369 -39.27048 1.000 60.04628  ? 646 ASN A N   1 
ATOM   244  C CA  . ASN A 1 69  ? -9.04641  -26.96447 -39.43822 1.000 59.96650  ? 646 ASN A CA  1 
ATOM   245  C C   . ASN A 1 69  ? -8.67302  -25.80852 -38.51892 1.000 57.67401  ? 646 ASN A C   1 
ATOM   246  O O   . ASN A 1 69  ? -9.07653  -24.66682 -38.76153 1.000 58.06210  ? 646 ASN A O   1 
ATOM   247  C CB  . ASN A 1 69  ? -8.74897  -26.62826 -40.89552 1.000 61.54305  ? 646 ASN A CB  1 
ATOM   248  C CG  . ASN A 1 69  ? -9.11081  -27.76244 -41.82333 1.000 66.52573  ? 646 ASN A CG  1 
ATOM   249  O OD1 . ASN A 1 69  ? -9.96346  -27.61065 -42.71263 1.000 69.24665  ? 646 ASN A OD1 1 
ATOM   250  N ND2 . ASN A 1 69  ? -8.46919  -28.92677 -41.61912 1.000 64.59273  ? 646 ASN A ND2 1 
ATOM   251  N N   . THR A 1 70  ? -7.89170  -26.10010 -37.47743 1.000 50.57817  ? 647 THR A N   1 
ATOM   252  C CA  . THR A 1 70  ? -7.44476  -25.09411 -36.52443 1.000 49.89991  ? 647 THR A CA  1 
ATOM   253  C C   . THR A 1 70  ? -5.92949  -25.09217 -36.35287 1.000 51.75543  ? 647 THR A C   1 
ATOM   254  O O   . THR A 1 70  ? -5.22967  -26.07553 -36.63888 1.000 50.31936  ? 647 THR A O   1 
ATOM   255  C CB  . THR A 1 70  ? -8.03731  -25.31412 -35.13990 1.000 48.43943  ? 647 THR A CB  1 
ATOM   256  O OG1 . THR A 1 70  ? -7.41448  -26.47290 -34.54974 1.000 45.56079  ? 647 THR A OG1 1 
ATOM   257  C CG2 . THR A 1 70  ? -9.54112  -25.47684 -35.22093 1.000 48.96929  ? 647 THR A CG2 1 
ATOM   258  N N   . THR A 1 71  ? -5.44878  -23.96132 -35.84364 1.000 47.06719  ? 648 THR A N   1 
ATOM   259  C CA  . THR A 1 71  ? -4.19472  -23.87676 -35.11429 1.000 46.91610  ? 648 THR A CA  1 
ATOM   260  C C   . THR A 1 71  ? -4.54290  -23.41494 -33.71162 1.000 44.28864  ? 648 THR A C   1 
ATOM   261  O O   . THR A 1 71  ? -5.12340  -22.33929 -33.54846 1.000 44.17595  ? 648 THR A O   1 
ATOM   262  C CB  . THR A 1 71  ? -3.23762  -22.89503 -35.77397 1.000 45.38594  ? 648 THR A CB  1 
ATOM   263  O OG1 . THR A 1 71  ? -2.98122  -23.33899 -37.10605 1.000 48.09904  ? 648 THR A OG1 1 
ATOM   264  C CG2 . THR A 1 71  ? -1.94047  -22.79321 -35.00000 1.000 43.42516  ? 648 THR A CG2 1 
ATOM   265  N N   . LEU A 1 72  ? -4.22870  -24.23592 -32.70908 1.000 42.90130  ? 649 LEU A N   1 
ATOM   266  C CA  . LEU A 1 72  ? -4.49784  -23.89581 -31.31756 1.000 40.10599  ? 649 LEU A CA  1 
ATOM   267  C C   . LEU A 1 72  ? -3.23662  -23.27875 -30.72073 1.000 40.11060  ? 649 LEU A C   1 
ATOM   268  O O   . LEU A 1 72  ? -2.16521  -23.90323 -30.73320 1.000 40.21633  ? 649 LEU A O   1 
ATOM   269  C CB  . LEU A 1 72  ? -4.94051  -25.12409 -30.52848 1.000 37.97900  ? 649 LEU A CB  1 
ATOM   270  C CG  . LEU A 1 72  ? -5.07434  -24.89558 -29.02256 1.000 42.11529  ? 649 LEU A CG  1 
ATOM   271  C CD1 . LEU A 1 72  ? -6.02538  -23.75083 -28.68727 1.000 39.42240  ? 649 LEU A CD1 1 
ATOM   272  C CD2 . LEU A 1 72  ? -5.48158  -26.17450 -28.30646 1.000 39.56942  ? 649 LEU A CD2 1 
ATOM   273  N N   . ILE A 1 73  ? -3.35090  -22.03722 -30.24703 1.000 44.18073  ? 650 ILE A N   1 
ATOM   274  C CA  . ILE A 1 73  ? -2.27480  -21.37709 -29.52209 1.000 44.46955  ? 650 ILE A CA  1 
ATOM   275  C C   . ILE A 1 73  ? -2.63194  -21.38777 -28.04938 1.000 45.26486  ? 650 ILE A C   1 
ATOM   276  O O   . ILE A 1 73  ? -3.75140  -21.02203 -27.66957 1.000 45.33867  ? 650 ILE A O   1 
ATOM   277  C CB  . ILE A 1 73  ? -2.04026  -19.94087 -30.01033 1.000 44.86402  ? 650 ILE A CB  1 
ATOM   278  C CG1 . ILE A 1 73  ? -1.90421  -19.90215 -31.53907 1.000 43.84224  ? 650 ILE A CG1 1 
ATOM   279  C CG2 . ILE A 1 73  ? -0.81319  -19.40602 -29.33589 1.000 44.75811  ? 650 ILE A CG2 1 
ATOM   280  C CD1 . ILE A 1 73  ? -1.62527  -18.49855 -32.09567 1.000 45.06493  ? 650 ILE A CD1 1 
ATOM   281  N N   . VAL A 1 74  ? -1.69886  -21.84333 -27.22489 1.000 44.38785  ? 651 VAL A N   1 
ATOM   282  C CA  . VAL A 1 74  ? -1.87814  -21.91807 -25.78942 1.000 45.69159  ? 651 VAL A CA  1 
ATOM   283  C C   . VAL A 1 74  ? -1.03597  -20.81065 -25.18889 1.000 47.43557  ? 651 VAL A C   1 
ATOM   284  O O   . VAL A 1 74  ? 0.11962   -20.62610 -25.58553 1.000 47.40975  ? 651 VAL A O   1 
ATOM   285  C CB  . VAL A 1 74  ? -1.46919  -23.30083 -25.24904 1.000 46.05265  ? 651 VAL A CB  1 
ATOM   286  C CG1 . VAL A 1 74  ? -1.67785  -23.38291 -23.76329 1.000 44.61224  ? 651 VAL A CG1 1 
ATOM   287  C CG2 . VAL A 1 74  ? -2.22289  -24.39944 -25.97918 1.000 47.29864  ? 651 VAL A CG2 1 
ATOM   288  N N   . GLY A 1 75  ? -1.62184  -20.03944 -24.28208 1.000 41.02265  ? 652 GLY A N   1 
ATOM   289  C CA  . GLY A 1 75  ? -0.91677  -18.99094 -23.56362 1.000 38.65547  ? 652 GLY A CA  1 
ATOM   290  C C   . GLY A 1 75  ? -0.74714  -19.45755 -22.13012 1.000 41.72233  ? 652 GLY A C   1 
ATOM   291  O O   . GLY A 1 75  ? -1.68597  -19.97333 -21.52919 1.000 41.23670  ? 652 GLY A O   1 
ATOM   292  N N   . VAL A 1 76  ? 0.45857   -19.29249 -21.60096 1.000 47.92557  ? 653 VAL A N   1 
ATOM   293  C CA  . VAL A 1 76  ? 0.81385   -19.75211 -20.26781 1.000 49.30889  ? 653 VAL A CA  1 
ATOM   294  C C   . VAL A 1 76  ? 1.14914   -18.52985 -19.43596 1.000 51.40403  ? 653 VAL A C   1 
ATOM   295  O O   . VAL A 1 76  ? 2.03446   -17.73768 -19.80532 1.000 51.26092  ? 653 VAL A O   1 
ATOM   296  C CB  . VAL A 1 76  ? 1.98521   -20.74477 -20.30336 1.000 48.68156  ? 653 VAL A CB  1 
ATOM   297  C CG1 . VAL A 1 76  ? 2.11699   -21.41048 -18.95994 1.000 50.58536  ? 653 VAL A CG1 1 
ATOM   298  C CG2 . VAL A 1 76  ? 1.73813   -21.78766 -21.38894 1.000 45.87094  ? 653 VAL A CG2 1 
ATOM   299  N N   . THR A 1 77  ? 0.44275   -18.36531 -18.31743 1.000 50.79028  ? 654 THR A N   1 
ATOM   300  C CA  . THR A 1 77  ? 0.59808   -17.13092 -17.57256 1.000 52.88027  ? 654 THR A CA  1 
ATOM   301  C C   . THR A 1 77  ? 1.93784   -17.10555 -16.85036 1.000 53.19322  ? 654 THR A C   1 
ATOM   302  O O   . THR A 1 77  ? 2.56362   -18.13916 -16.59580 1.000 53.52699  ? 654 THR A O   1 
ATOM   303  C CB  . THR A 1 77  ? -0.55851  -16.93447 -16.59379 1.000 55.13190  ? 654 THR A CB  1 
ATOM   304  O OG1 . THR A 1 77  ? -0.87522  -18.18074 -15.97344 1.000 54.32205  ? 654 THR A OG1 1 
ATOM   305  C CG2 . THR A 1 77  ? -1.77826  -16.43424 -17.35113 1.000 52.63895  ? 654 THR A CG2 1 
ATOM   306  N N   . SER A 1 78  ? 2.38867   -15.89294 -16.54590 1.000 51.97316  ? 655 SER A N   1 
ATOM   307  C CA  . SER A 1 78  ? 3.67002   -15.69842 -15.89023 1.000 53.33139  ? 655 SER A CA  1 
ATOM   308  C C   . SER A 1 78  ? 3.54492   -16.02112 -14.40828 1.000 54.36245  ? 655 SER A C   1 
ATOM   309  O O   . SER A 1 78  ? 2.46298   -15.92460 -13.81824 1.000 52.38026  ? 655 SER A O   1 
ATOM   310  C CB  . SER A 1 78  ? 4.16227   -14.26137 -16.08356 1.000 54.71259  ? 655 SER A CB  1 
ATOM   311  O OG  . SER A 1 78  ? 3.51191   -13.34662 -15.20145 1.000 55.02697  ? 655 SER A OG  1 
ATOM   312  N N   . ASP A 1 79  ? 4.67093   -16.41878 -13.80465 1.000 69.45808  ? 656 ASP A N   1 
ATOM   313  C CA  . ASP A 1 79  ? 4.64982   -16.76308 -12.38473 1.000 70.76267  ? 656 ASP A CA  1 
ATOM   314  C C   . ASP A 1 79  ? 4.21918   -15.56952 -11.55559 1.000 70.43378  ? 656 ASP A C   1 
ATOM   315  O O   . ASP A 1 79  ? 3.33133   -15.67641 -10.70318 1.000 71.43096  ? 656 ASP A O   1 
ATOM   316  C CB  . ASP A 1 79  ? 6.02142   -17.26806 -11.92024 1.000 72.97731  ? 656 ASP A CB  1 
ATOM   317  C CG  . ASP A 1 79  ? 6.29679   -18.70167 -12.35978 1.000 75.66715  ? 656 ASP A CG  1 
ATOM   318  O OD1 . ASP A 1 79  ? 5.32512   -19.47586 -12.50586 1.000 74.02025  ? 656 ASP A OD1 1 
ATOM   319  O OD2 . ASP A 1 79  ? 7.47908   -19.05936 -12.56708 1.000 77.07505  ? 656 ASP A OD2 1 
ATOM   320  N N   . ASN A 1 80  ? 4.83381   -14.41438 -11.80460 1.000 60.88016  ? 657 ASN A N   1 
ATOM   321  C CA  . ASN A 1 80  ? 4.55821   -13.25118 -10.97636 1.000 62.10387  ? 657 ASN A CA  1 
ATOM   322  C C   . ASN A 1 80  ? 3.08273   -12.87585 -11.03680 1.000 62.49601  ? 657 ASN A C   1 
ATOM   323  O O   . ASN A 1 80  ? 2.47753   -12.54424 -10.01119 1.000 64.97100  ? 657 ASN A O   1 
ATOM   324  C CB  . ASN A 1 80  ? 5.45009   -12.08320 -11.40655 1.000 62.02167  ? 657 ASN A CB  1 
ATOM   325  N N   . GLU A 1 81  ? 2.47974   -12.94742 -12.22435 1.000 67.44167  ? 658 GLU A N   1 
ATOM   326  C CA  . GLU A 1 81  ? 1.09325   -12.51704 -12.38643 1.000 67.87913  ? 658 GLU A CA  1 
ATOM   327  C C   . GLU A 1 81  ? 0.10055   -13.54982 -11.86454 1.000 67.38077  ? 658 GLU A C   1 
ATOM   328  O O   . GLU A 1 81  ? -0.93465  -13.18153 -11.30904 1.000 69.16887  ? 658 GLU A O   1 
ATOM   329  C CB  . GLU A 1 81  ? 0.81080   -12.21035 -13.85921 1.000 66.12559  ? 658 GLU A CB  1 
ATOM   330  C CG  . GLU A 1 81  ? 1.44600   -10.91955 -14.33514 1.000 65.88742  ? 658 GLU A CG  1 
ATOM   331  C CD  . GLU A 1 81  ? 1.44915   -10.78336 -15.83971 1.000 61.43306  ? 658 GLU A CD  1 
ATOM   332  O OE1 . GLU A 1 81  ? 1.88325   -11.72536 -16.52818 1.000 63.00333  ? 658 GLU A OE1 1 
ATOM   333  O OE2 . GLU A 1 81  ? 1.02497   -9.72499  -16.33791 1.000 64.88524  ? 658 GLU A OE2 1 
ATOM   334  N N   . THR A 1 82  ? 0.36601   -14.84246 -12.05332 1.000 64.07707  ? 659 THR A N   1 
ATOM   335  C CA  . THR A 1 82  ? -0.49874  -15.83842 -11.43458 1.000 63.46559  ? 659 THR A CA  1 
ATOM   336  C C   . THR A 1 82  ? -0.48918  -15.68669 -9.91918  1.000 67.26951  ? 659 THR A C   1 
ATOM   337  O O   . THR A 1 82  ? -1.54223  -15.52763 -9.29608  1.000 68.06952  ? 659 THR A O   1 
ATOM   338  C CB  . THR A 1 82  ? -0.06598  -17.24147 -11.83752 1.000 61.21474  ? 659 THR A CB  1 
ATOM   339  O OG1 . THR A 1 82  ? -0.17881  -17.38757 -13.25847 1.000 61.02449  ? 659 THR A OG1 1 
ATOM   340  C CG2 . THR A 1 82  ? -0.95706  -18.27320 -11.15960 1.000 63.73114  ? 659 THR A CG2 1 
ATOM   341  N N   . LYS A 1 83  ? 0.69917   -15.70602 -9.30722  1.000 71.15671  ? 660 LYS A N   1 
ATOM   342  C CA  . LYS A 1 83  ? 0.78068   -15.54335 -7.85862  1.000 73.87692  ? 660 LYS A CA  1 
ATOM   343  C C   . LYS A 1 83  ? 0.06156   -14.27979 -7.40916  1.000 74.26184  ? 660 LYS A C   1 
ATOM   344  O O   . LYS A 1 83  ? -0.58652  -14.25956 -6.35697  1.000 74.76854  ? 660 LYS A O   1 
ATOM   345  C CB  . LYS A 1 83  ? 2.24464   -15.51519 -7.41326  1.000 71.71925  ? 660 LYS A CB  1 
ATOM   346  N N   . LEU A 1 84  ? 0.14663   -13.21879 -8.20792  1.000 79.05109  ? 661 LEU A N   1 
ATOM   347  C CA  . LEU A 1 84  ? -0.42779  -11.93962 -7.82185  1.000 77.86485  ? 661 LEU A CA  1 
ATOM   348  C C   . LEU A 1 84  ? -1.94183  -11.88763 -7.98255  1.000 77.66642  ? 661 LEU A C   1 
ATOM   349  O O   . LEU A 1 84  ? -2.59177  -11.10867 -7.28295  1.000 80.96260  ? 661 LEU A O   1 
ATOM   350  C CB  . LEU A 1 84  ? 0.22090   -10.81890 -8.63802  1.000 78.22551  ? 661 LEU A CB  1 
ATOM   351  C CG  . LEU A 1 84  ? 0.13534   -9.41240  -8.04049  1.000 85.06758  ? 661 LEU A CG  1 
ATOM   352  C CD1 . LEU A 1 84  ? 1.21573   -8.53739  -8.65666  1.000 89.13656  ? 661 LEU A CD1 1 
ATOM   353  C CD2 . LEU A 1 84  ? -1.24569  -8.80306  -8.25571  1.000 85.58936  ? 661 LEU A CD2 1 
ATOM   354  N N   . PHE A 1 85  ? -2.51975  -12.68926 -8.87896  1.000 77.09769  ? 662 PHE A N   1 
ATOM   355  C CA  . PHE A 1 85  ? -3.95119  -12.60657 -9.17243  1.000 76.91918  ? 662 PHE A CA  1 
ATOM   356  C C   . PHE A 1 85  ? -4.70621  -13.88068 -8.80232  1.000 76.79894  ? 662 PHE A C   1 
ATOM   357  O O   . PHE A 1 85  ? -5.70200  -13.80320 -8.07330  1.000 78.15081  ? 662 PHE A O   1 
ATOM   358  C CB  . PHE A 1 85  ? -4.15579  -12.25010 -10.65537 1.000 73.90997  ? 662 PHE A CB  1 
ATOM   359  C CG  . PHE A 1 85  ? -3.64239  -10.87744 -11.02768 1.000 72.52008  ? 662 PHE A CG  1 
ATOM   360  C CD1 . PHE A 1 85  ? -4.16403  -9.74206  -10.43614 1.000 76.91152  ? 662 PHE A CD1 1 
ATOM   361  C CD2 . PHE A 1 85  ? -2.63385  -10.72749 -11.96459 1.000 73.07140  ? 662 PHE A CD2 1 
ATOM   362  C CE1 . PHE A 1 85  ? -3.68395  -8.47331  -10.76713 1.000 78.90685  ? 662 PHE A CE1 1 
ATOM   363  C CE2 . PHE A 1 85  ? -2.15657  -9.46912  -12.30608 1.000 73.11346  ? 662 PHE A CE2 1 
ATOM   364  C CZ  . PHE A 1 85  ? -2.68319  -8.33736  -11.70016 1.000 76.35838  ? 662 PHE A CZ  1 
ATOM   365  N N   . LYS A 1 86  ? -4.27805  -15.05457 -9.28024  1.000 80.27720  ? 663 LYS A N   1 
ATOM   366  C CA  . LYS A 1 86  ? -4.94108  -16.29885 -8.89578  1.000 79.77729  ? 663 LYS A CA  1 
ATOM   367  C C   . LYS A 1 86  ? -4.47580  -16.74796 -7.51256  1.000 82.73260  ? 663 LYS A C   1 
ATOM   368  O O   . LYS A 1 86  ? -5.27734  -16.85024 -6.57069  1.000 85.29832  ? 663 LYS A O   1 
ATOM   369  C CB  . LYS A 1 86  ? -4.68588  -17.38483 -9.95081  1.000 76.88143  ? 663 LYS A CB  1 
ATOM   370  N N   . GLY A 1 87  ? -3.17956  -16.97195 -7.36380  1.000 83.77158  ? 664 GLY A N   1 
ATOM   371  C CA  . GLY A 1 87  ? -2.60992  -17.42082 -6.11268  1.000 82.67108  ? 664 GLY A CA  1 
ATOM   372  C C   . GLY A 1 87  ? -1.42602  -18.32743 -6.38459  1.000 84.74829  ? 664 GLY A C   1 
ATOM   373  O O   . GLY A 1 87  ? -0.94448  -18.43434 -7.51541  1.000 84.41001  ? 664 GLY A O   1 
ATOM   374  N N   . GLN A 1 88  ? -0.97088  -18.98176 -5.31423  1.000 92.93622  ? 665 GLN A N   1 
ATOM   375  C CA  . GLN A 1 88  ? 0.17360   -19.88044 -5.38835  1.000 91.49531  ? 665 GLN A CA  1 
ATOM   376  C C   . GLN A 1 88  ? 0.13011   -20.72085 -6.66081  1.000 88.75408  ? 665 GLN A C   1 
ATOM   377  O O   . GLN A 1 88  ? -0.93014  -21.20388 -7.07283  1.000 88.64443  ? 665 GLN A O   1 
ATOM   378  C CB  . GLN A 1 88  ? 0.19931   -20.78928 -4.15223  1.000 89.92862  ? 665 GLN A CB  1 
ATOM   379  N N   . VAL A 1 89  ? 1.28804   -20.86206 -7.30213  1.000 67.22298  ? 666 VAL A N   1 
ATOM   380  C CA  . VAL A 1 89  ? 1.48221   -21.82822 -8.37366  1.000 65.78342  ? 666 VAL A CA  1 
ATOM   381  C C   . VAL A 1 89  ? 2.53125   -22.82791 -7.91177  1.000 64.63865  ? 666 VAL A C   1 
ATOM   382  O O   . VAL A 1 89  ? 3.46572   -22.47270 -7.18372  1.000 67.47709  ? 666 VAL A O   1 
ATOM   383  C CB  . VAL A 1 89  ? 1.91068   -21.16625 -9.69861  1.000 64.28433  ? 666 VAL A CB  1 
ATOM   384  C CG1 . VAL A 1 89  ? 3.38847   -20.84570 -9.65439  1.000 64.02172  ? 666 VAL A CG1 1 
ATOM   385  C CG2 . VAL A 1 89  ? 1.59988   -22.07331 -10.85110 1.000 60.87770  ? 666 VAL A CG2 1 
ATOM   386  N N   . VAL A 1 90  ? 2.37253   -24.07530 -8.33544  1.000 60.83368  ? 667 VAL A N   1 
ATOM   387  C CA  . VAL A 1 90  ? 3.25689   -25.15155 -7.90717  1.000 60.81425  ? 667 VAL A CA  1 
ATOM   388  C C   . VAL A 1 90  ? 4.44150   -25.28152 -8.83644  1.000 60.62775  ? 667 VAL A C   1 
ATOM   389  O O   . VAL A 1 90  ? 5.59239   -25.30867 -8.39647  1.000 62.05876  ? 667 VAL A O   1 
ATOM   390  C CB  . VAL A 1 90  ? 2.47463   -26.47939 -7.83619  1.000 61.75304  ? 667 VAL A CB  1 
ATOM   391  C CG1 . VAL A 1 90  ? 3.39940   -27.62133 -7.46065  1.000 61.32495  ? 667 VAL A CG1 1 
ATOM   392  C CG2 . VAL A 1 90  ? 1.31527   -26.36376 -6.88314  1.000 60.11497  ? 667 VAL A CG2 1 
ATOM   393  N N   . GLN A 1 91  ? 4.16867   -25.39091 -10.12821 1.000 59.40708  ? 668 GLN A N   1 
ATOM   394  C CA  . GLN A 1 91  ? 5.21665   -25.45939 -11.12980 1.000 59.44574  ? 668 GLN A CA  1 
ATOM   395  C C   . GLN A 1 91  ? 5.56714   -24.05391 -11.60096 1.000 59.69814  ? 668 GLN A C   1 
ATOM   396  O O   . GLN A 1 91  ? 4.72996   -23.14275 -11.56004 1.000 58.56743  ? 668 GLN A O   1 
ATOM   397  C CB  . GLN A 1 91  ? 4.76894   -26.32274 -12.30541 1.000 58.74422  ? 668 GLN A CB  1 
ATOM   398  C CG  . GLN A 1 91  ? 4.32444   -27.71850 -11.89264 1.000 58.97937  ? 668 GLN A CG  1 
ATOM   399  C CD  . GLN A 1 91  ? 3.86627   -28.53524 -13.07092 1.000 60.13796  ? 668 GLN A CD  1 
ATOM   400  O OE1 . GLN A 1 91  ? 2.70971   -28.45017 -13.49641 1.000 58.09873  ? 668 GLN A OE1 1 
ATOM   401  N NE2 . GLN A 1 91  ? 4.77854   -29.32284 -13.62808 1.000 62.21845  ? 668 GLN A NE2 1 
ATOM   402  N N   . THR A 1 92  ? 6.82185   -23.87890 -12.02830 1.000 47.51177  ? 669 THR A N   1 
ATOM   403  C CA  . THR A 1 92  ? 7.24722   -22.60807 -12.59996 1.000 49.42370  ? 669 THR A CA  1 
ATOM   404  C C   . THR A 1 92  ? 6.71288   -22.45112 -14.01941 1.000 47.14622  ? 669 THR A C   1 
ATOM   405  O O   . THR A 1 92  ? 6.12408   -23.36719 -14.60538 1.000 46.89680  ? 669 THR A O   1 
ATOM   406  C CB  . THR A 1 92  ? 8.77128   -22.48897 -12.62365 1.000 51.27413  ? 669 THR A CB  1 
ATOM   407  O OG1 . THR A 1 92  ? 9.28935   -23.42126 -13.57700 1.000 46.47157  ? 669 THR A OG1 1 
ATOM   408  C CG2 . THR A 1 92  ? 9.37759   -22.76584 -11.21894 1.000 50.95596  ? 669 THR A CG2 1 
ATOM   409  N N   . LEU A 1 93  ? 6.92807   -21.26548 -14.58507 1.000 51.75147  ? 670 LEU A N   1 
ATOM   410  C CA  . LEU A 1 93  ? 6.56402   -21.05485 -15.98506 1.000 51.77480  ? 670 LEU A CA  1 
ATOM   411  C C   . LEU A 1 93  ? 7.18612   -22.12826 -16.86661 1.000 50.70235  ? 670 LEU A C   1 
ATOM   412  O O   . LEU A 1 93  ? 6.48990   -22.79901 -17.63412 1.000 49.03496  ? 670 LEU A O   1 
ATOM   413  C CB  . LEU A 1 93  ? 6.98777   -19.64939 -16.45181 1.000 51.51273  ? 670 LEU A CB  1 
ATOM   414  C CG  . LEU A 1 93  ? 6.54446   -19.24170 -17.87266 1.000 49.55301  ? 670 LEU A CG  1 
ATOM   415  C CD1 . LEU A 1 93  ? 5.06038   -19.50801 -18.08427 1.000 46.52329  ? 670 LEU A CD1 1 
ATOM   416  C CD2 . LEU A 1 93  ? 6.85236   -17.78844 -18.20042 1.000 45.26457  ? 670 LEU A CD2 1 
ATOM   417  N N   . GLU A 1 94  ? 8.50033   -22.32477 -16.74474 1.000 62.32634  ? 671 GLU A N   1 
ATOM   418  C CA  . GLU A 1 94  ? 9.20625   -23.26728 -17.61086 1.000 62.54043  ? 671 GLU A CA  1 
ATOM   419  C C   . GLU A 1 94  ? 8.64340   -24.68233 -17.46758 1.000 60.12850  ? 671 GLU A C   1 
ATOM   420  O O   . GLU A 1 94  ? 8.41691   -25.37748 -18.46115 1.000 60.03018  ? 671 GLU A O   1 
ATOM   421  C CB  . GLU A 1 94  ? 10.70657  -23.23354 -17.29892 1.000 63.17017  ? 671 GLU A CB  1 
ATOM   422  C CG  . GLU A 1 94  ? 11.36926  -21.82973 -17.40127 1.000 67.87408  ? 671 GLU A CG  1 
ATOM   423  C CD  . GLU A 1 94  ? 10.88975  -20.79289 -16.33565 1.000 68.93981  ? 671 GLU A CD  1 
ATOM   424  O OE1 . GLU A 1 94  ? 10.26302  -21.17448 -15.31076 1.000 65.95839  ? 671 GLU A OE1 1 
ATOM   425  O OE2 . GLU A 1 94  ? 11.14508  -19.57786 -16.53659 1.000 68.55118  ? 671 GLU A OE2 1 
ATOM   426  N N   . GLU A 1 95  ? 8.40450   -25.12726 -16.23595 1.000 50.17751  ? 672 GLU A N   1 
ATOM   427  C CA  . GLU A 1 95  ? 7.81533   -26.45057 -16.04447 1.000 51.45533  ? 672 GLU A CA  1 
ATOM   428  C C   . GLU A 1 95  ? 6.39497   -26.53088 -16.59683 1.000 48.83166  ? 672 GLU A C   1 
ATOM   429  O O   . GLU A 1 95  ? 6.03386   -27.51214 -17.25532 1.000 47.05207  ? 672 GLU A O   1 
ATOM   430  C CB  . GLU A 1 95  ? 7.81857   -26.81712 -14.57021 1.000 51.03429  ? 672 GLU A CB  1 
ATOM   431  C CG  . GLU A 1 95  ? 9.20103   -26.91965 -13.97299 1.000 53.94947  ? 672 GLU A CG  1 
ATOM   432  C CD  . GLU A 1 95  ? 9.14790   -27.00400 -12.46656 1.000 56.09896  ? 672 GLU A CD  1 
ATOM   433  O OE1 . GLU A 1 95  ? 8.05962   -26.75725 -11.91827 1.000 56.45915  ? 672 GLU A OE1 1 
ATOM   434  O OE2 . GLU A 1 95  ? 10.17683  -27.31833 -11.83288 1.000 59.04726  ? 672 GLU A OE2 1 
ATOM   435  N N   . ARG A 1 96  ? 5.56985   -25.51698 -16.33859 1.000 53.05928  ? 673 ARG A N   1 
ATOM   436  C CA  . ARG A 1 96  ? 4.21511   -25.55250 -16.87023 1.000 50.63045  ? 673 ARG A CA  1 
ATOM   437  C C   . ARG A 1 96  ? 4.23978   -25.58156 -18.38932 1.000 51.08545  ? 673 ARG A C   1 
ATOM   438  O O   . ARG A 1 96  ? 3.41234   -26.25187 -19.01764 1.000 47.86159  ? 673 ARG A O   1 
ATOM   439  C CB  . ARG A 1 96  ? 3.41174   -24.35892 -16.36135 1.000 50.29215  ? 673 ARG A CB  1 
ATOM   440  C CG  . ARG A 1 96  ? 3.24283   -24.35721 -14.86505 1.000 53.04714  ? 673 ARG A CG  1 
ATOM   441  C CD  . ARG A 1 96  ? 2.34612   -23.22392 -14.38455 1.000 52.40035  ? 673 ARG A CD  1 
ATOM   442  N NE  . ARG A 1 96  ? 3.09997   -21.99708 -14.13661 1.000 55.46534  ? 673 ARG A NE  1 
ATOM   443  C CZ  . ARG A 1 96  ? 2.82003   -20.81955 -14.68539 1.000 55.30496  ? 673 ARG A CZ  1 
ATOM   444  N NH1 . ARG A 1 96  ? 1.77682   -20.65750 -15.48859 1.000 51.84124  ? 673 ARG A NH1 1 
ATOM   445  N NH2 . ARG A 1 96  ? 3.60345   -19.77927 -14.42133 1.000 53.65431  ? 673 ARG A NH2 1 
ATOM   446  N N   . THR A 1 97  ? 5.19724   -24.87633 -18.99787 1.000 45.24201  ? 674 THR A N   1 
ATOM   447  C CA  . THR A 1 97  ? 5.25667   -24.80198 -20.45142 1.000 44.71664  ? 674 THR A CA  1 
ATOM   448  C C   . THR A 1 97  ? 5.81893   -26.08075 -21.07345 1.000 47.32497  ? 674 THR A C   1 
ATOM   449  O O   . THR A 1 97  ? 5.33747   -26.52450 -22.12787 1.000 44.75161  ? 674 THR A O   1 
ATOM   450  C CB  . THR A 1 97  ? 6.09851   -23.59870 -20.88810 1.000 46.86719  ? 674 THR A CB  1 
ATOM   451  O OG1 . THR A 1 97  ? 5.55996   -22.38608 -20.32773 1.000 44.02017  ? 674 THR A OG1 1 
ATOM   452  C CG2 . THR A 1 97  ? 6.12304   -23.50115 -22.39493 1.000 44.08486  ? 674 THR A CG2 1 
ATOM   453  N N   . GLU A 1 98  ? 6.83667   -26.68921 -20.46190 1.000 54.55956  ? 675 GLU A N   1 
ATOM   454  C CA  . GLU A 1 98  ? 7.38080   -27.90345 -21.05938 1.000 54.80288  ? 675 GLU A CA  1 
ATOM   455  C C   . GLU A 1 98  ? 6.31386   -28.99096 -21.13822 1.000 53.07361  ? 675 GLU A C   1 
ATOM   456  O O   . GLU A 1 98  ? 6.21622   -29.70674 -22.13720 1.000 52.94031  ? 675 GLU A O   1 
ATOM   457  C CB  . GLU A 1 98  ? 8.60722   -28.39714 -20.28056 1.000 54.52791  ? 675 GLU A CB  1 
ATOM   458  C CG  . GLU A 1 98  ? 9.50682   -29.31856 -21.13534 1.000 57.19644  ? 675 GLU A CG  1 
ATOM   459  C CD  . GLU A 1 98  ? 10.90544  -29.50687 -20.55752 1.000 60.97475  ? 675 GLU A CD  1 
ATOM   460  O OE1 . GLU A 1 98  ? 11.11350  -29.15766 -19.37709 1.000 61.58911  ? 675 GLU A OE1 1 
ATOM   461  O OE2 . GLU A 1 98  ? 11.80721  -29.99220 -21.28646 1.000 65.99116  ? 675 GLU A OE2 1 
ATOM   462  N N   . THR A 1 99  ? 5.50393   -29.14035 -20.09410 1.000 52.69136  ? 676 THR A N   1 
ATOM   463  C CA  . THR A 1 99  ? 4.46272   -30.16337 -20.14174 1.000 52.27920  ? 676 THR A CA  1 
ATOM   464  C C   . THR A 1 99  ? 3.53013   -29.92965 -21.32659 1.000 49.01326  ? 676 THR A C   1 
ATOM   465  O O   . THR A 1 99  ? 3.28223   -30.84085 -22.12900 1.000 48.47242  ? 676 THR A O   1 
ATOM   466  C CB  . THR A 1 99  ? 3.68842   -30.18925 -18.82756 1.000 51.17604  ? 676 THR A CB  1 
ATOM   467  O OG1 . THR A 1 99  ? 4.61344   -30.11212 -17.74298 1.000 51.53957  ? 676 THR A OG1 1 
ATOM   468  C CG2 . THR A 1 99  ? 2.90944   -31.47802 -18.70402 1.000 53.13543  ? 676 THR A CG2 1 
ATOM   469  N N   . LEU A 1 100 ? 3.04037   -28.70040 -21.48442 1.000 48.77780  ? 677 LEU A N   1 
ATOM   470  C CA  . LEU A 1 100 ? 2.10472   -28.41406 -22.57101 1.000 48.91681  ? 677 LEU A CA  1 
ATOM   471  C C   . LEU A 1 100 ? 2.64412   -28.82077 -23.93141 1.000 47.06969  ? 677 LEU A C   1 
ATOM   472  O O   . LEU A 1 100 ? 1.86970   -29.23988 -24.80260 1.000 47.62609  ? 677 LEU A O   1 
ATOM   473  C CB  . LEU A 1 100 ? 1.74967   -26.93412 -22.58976 1.000 49.34356  ? 677 LEU A CB  1 
ATOM   474  C CG  . LEU A 1 100 ? 0.60608   -26.57851 -21.65801 1.000 48.88836  ? 677 LEU A CG  1 
ATOM   475  C CD1 . LEU A 1 100 ? 0.59151   -25.06364 -21.48126 1.000 50.50576  ? 677 LEU A CD1 1 
ATOM   476  C CD2 . LEU A 1 100 ? -0.72994  -27.08170 -22.19926 1.000 46.75884  ? 677 LEU A CD2 1 
ATOM   477  N N   . LYS A 1 101 ? 3.95949   -28.72659 -24.14396 1.000 47.66951  ? 678 LYS A N   1 
ATOM   478  C CA  . LYS A 1 101 ? 4.46561   -29.07585 -25.46919 1.000 50.05526  ? 678 LYS A CA  1 
ATOM   479  C C   . LYS A 1 101 ? 4.28533   -30.55853 -25.78784 1.000 49.21268  ? 678 LYS A C   1 
ATOM   480  O O   . LYS A 1 101 ? 4.37200   -30.93534 -26.96580 1.000 48.20488  ? 678 LYS A O   1 
ATOM   481  C CB  . LYS A 1 101 ? 5.93909   -28.66255 -25.63784 1.000 52.06049  ? 678 LYS A CB  1 
ATOM   482  C CG  . LYS A 1 101 ? 6.97594   -29.63229 -25.09803 1.000 53.24226  ? 678 LYS A CG  1 
ATOM   483  C CD  . LYS A 1 101 ? 8.31002   -29.47843 -25.83385 1.000 55.53815  ? 678 LYS A CD  1 
ATOM   484  C CE  . LYS A 1 101 ? 9.43938   -30.27760 -25.14932 1.000 52.57445  ? 678 LYS A CE  1 
ATOM   485  N NZ  . LYS A 1 101 ? 10.57551  -30.56652 -26.07855 1.000 57.68660  ? 678 LYS A NZ  1 
ATOM   486  N N   . HIS A 1 102 ? 3.99409   -31.39439 -24.78781 1.000 48.59192  ? 679 HIS A N   1 
ATOM   487  C CA  . HIS A 1 102 ? 3.73356   -32.80919 -25.00962 1.000 47.08843  ? 679 HIS A CA  1 
ATOM   488  C C   . HIS A 1 102 ? 2.26627   -33.12914 -25.27304 1.000 45.65708  ? 679 HIS A C   1 
ATOM   489  O O   . HIS A 1 102 ? 1.92580   -34.30741 -25.38662 1.000 48.50711  ? 679 HIS A O   1 
ATOM   490  C CB  . HIS A 1 102 ? 4.23975   -33.61591 -23.81336 1.000 49.43600  ? 679 HIS A CB  1 
ATOM   491  C CG  . HIS A 1 102 ? 5.72981   -33.65430 -23.72875 1.000 51.63594  ? 679 HIS A CG  1 
ATOM   492  N ND1 . HIS A 1 102 ? 6.46229   -32.69065 -23.07076 1.000 53.31119  ? 679 HIS A ND1 1 
ATOM   493  C CD2 . HIS A 1 102 ? 6.62850   -34.50781 -24.27036 1.000 50.61693  ? 679 HIS A CD2 1 
ATOM   494  C CE1 . HIS A 1 102 ? 7.74850   -32.96324 -23.19201 1.000 53.60008  ? 679 HIS A CE1 1 
ATOM   495  N NE2 . HIS A 1 102 ? 7.87587   -34.05586 -23.92245 1.000 53.58135  ? 679 HIS A NE2 1 
ATOM   496  N N   . ILE A 1 103 ? 1.38741   -32.12883 -25.37819 1.000 45.89943  ? 680 ILE A N   1 
ATOM   497  C CA  . ILE A 1 103 ? -0.04072  -32.38170 -25.55420 1.000 43.88788  ? 680 ILE A CA  1 
ATOM   498  C C   . ILE A 1 103 ? -0.36519  -32.35849 -27.03951 1.000 46.26273  ? 680 ILE A C   1 
ATOM   499  O O   . ILE A 1 103 ? 0.05052   -31.44279 -27.76568 1.000 43.77069  ? 680 ILE A O   1 
ATOM   500  C CB  . ILE A 1 103 ? -0.88646  -31.35997 -24.78349 1.000 45.18361  ? 680 ILE A CB  1 
ATOM   501  C CG1 . ILE A 1 103 ? -0.70818  -31.53352 -23.26496 1.000 45.17031  ? 680 ILE A CG1 1 
ATOM   502  C CG2 . ILE A 1 103 ? -2.34562  -31.44193 -25.19751 1.000 46.01155  ? 680 ILE A CG2 1 
ATOM   503  C CD1 . ILE A 1 103 ? -0.64818  -32.98724 -22.77119 1.000 44.87744  ? 680 ILE A CD1 1 
ATOM   504  N N   . ARG A 1 104 ? -1.09209  -33.39176 -27.48521 1.000 49.31513  ? 681 ARG A N   1 
ATOM   505  C CA  . ARG A 1 104 ? -1.40501  -33.57791 -28.89378 1.000 49.45211  ? 681 ARG A CA  1 
ATOM   506  C C   . ARG A 1 104 ? -2.07190  -32.34758 -29.48417 1.000 50.36114  ? 681 ARG A C   1 
ATOM   507  O O   . ARG A 1 104 ? -1.81045  -31.97767 -30.63694 1.000 50.48603  ? 681 ARG A O   1 
ATOM   508  C CB  . ARG A 1 104 ? -2.32297  -34.79562 -29.05916 1.000 49.80966  ? 681 ARG A CB  1 
ATOM   509  C CG  . ARG A 1 104 ? -2.66240  -35.11011 -30.49510 1.000 50.35747  ? 681 ARG A CG  1 
ATOM   510  C CD  . ARG A 1 104 ? -3.71073  -36.23045 -30.62754 1.000 52.45136  ? 681 ARG A CD  1 
ATOM   511  N NE  . ARG A 1 104 ? -3.42458  -37.37536 -29.77781 1.000 55.11505  ? 681 ARG A NE  1 
ATOM   512  C CZ  . ARG A 1 104 ? -2.51653  -38.31330 -30.03848 1.000 55.40496  ? 681 ARG A CZ  1 
ATOM   513  N NH1 . ARG A 1 104 ? -1.80303  -38.30131 -31.15640 1.000 51.81191  ? 681 ARG A NH1 1 
ATOM   514  N NH2 . ARG A 1 104 ? -2.30591  -39.27841 -29.14248 1.000 54.51323  ? 681 ARG A NH2 1 
ATOM   515  N N   . TRP A 1 105 ? -2.94930  -31.71292 -28.72155 1.000 39.86044  ? 682 TRP A N   1 
ATOM   516  C CA  . TRP A 1 105 ? -3.78964  -30.67602 -29.28646 1.000 40.22095  ? 682 TRP A CA  1 
ATOM   517  C C   . TRP A 1 105 ? -3.06537  -29.34663 -29.42684 1.000 40.82301  ? 682 TRP A C   1 
ATOM   518  O O   . TRP A 1 105 ? -3.54876  -28.47972 -30.15775 1.000 39.51615  ? 682 TRP A O   1 
ATOM   519  C CB  . TRP A 1 105 ? -5.05204  -30.51896 -28.42805 1.000 39.75966  ? 682 TRP A CB  1 
ATOM   520  C CG  . TRP A 1 105 ? -5.59883  -31.82746 -27.92255 1.000 40.98026  ? 682 TRP A CG  1 
ATOM   521  C CD1 . TRP A 1 105 ? -5.67704  -32.22555 -26.62722 1.000 40.71533  ? 682 TRP A CD1 1 
ATOM   522  C CD2 . TRP A 1 105 ? -6.12508  -32.92534 -28.71162 1.000 42.65349  ? 682 TRP A CD2 1 
ATOM   523  N NE1 . TRP A 1 105 ? -6.22521  -33.49757 -26.54921 1.000 42.52463  ? 682 TRP A NE1 1 
ATOM   524  C CE2 . TRP A 1 105 ? -6.50834  -33.94512 -27.81150 1.000 42.84231  ? 682 TRP A CE2 1 
ATOM   525  C CE3 . TRP A 1 105 ? -6.31821  -33.13319 -30.07980 1.000 41.16268  ? 682 TRP A CE3 1 
ATOM   526  C CZ2 . TRP A 1 105 ? -7.06839  -35.14785 -28.23498 1.000 42.59401  ? 682 TRP A CZ2 1 
ATOM   527  C CZ3 . TRP A 1 105 ? -6.84693  -34.33513 -30.49673 1.000 45.04027  ? 682 TRP A CZ3 1 
ATOM   528  C CH2 . TRP A 1 105 ? -7.21646  -35.32909 -29.57990 1.000 45.22323  ? 682 TRP A CH2 1 
ATOM   529  N N   . VAL A 1 106 ? -1.89849  -29.19060 -28.81072 1.000 48.20546  ? 683 VAL A N   1 
ATOM   530  C CA  . VAL A 1 106 ? -1.22510  -27.89551 -28.70103 1.000 49.83268  ? 683 VAL A CA  1 
ATOM   531  C C   . VAL A 1 106 ? -0.34188  -27.68722 -29.92320 1.000 50.84181  ? 683 VAL A C   1 
ATOM   532  O O   . VAL A 1 106 ? 0.59518   -28.45308 -30.16425 1.000 53.20251  ? 683 VAL A O   1 
ATOM   533  C CB  . VAL A 1 106 ? -0.40012  -27.80819 -27.40995 1.000 48.69399  ? 683 VAL A CB  1 
ATOM   534  C CG1 . VAL A 1 106 ? 0.42174   -26.53170 -27.39196 1.000 51.59300  ? 683 VAL A CG1 1 
ATOM   535  C CG2 . VAL A 1 106 ? -1.30249  -27.89779 -26.18572 1.000 46.67292  ? 683 VAL A CG2 1 
ATOM   536  N N   . ASP A 1 107 ? -0.65543  -26.66625 -30.71445 1.000 46.77123  ? 684 ASP A N   1 
ATOM   537  C CA  . ASP A 1 107 ? 0.09292   -26.36835 -31.92855 1.000 47.10060  ? 684 ASP A CA  1 
ATOM   538  C C   . ASP A 1 107 ? 1.18260   -25.33526 -31.68922 1.000 47.62125  ? 684 ASP A C   1 
ATOM   539  O O   . ASP A 1 107 ? 2.31041   -25.49652 -32.16351 1.000 48.28206  ? 684 ASP A O   1 
ATOM   540  C CB  . ASP A 1 107 ? -0.85471  -25.85707 -33.02031 1.000 46.89961  ? 684 ASP A CB  1 
ATOM   541  C CG  . ASP A 1 107 ? -1.83767  -26.90952 -33.47690 1.000 47.63842  ? 684 ASP A CG  1 
ATOM   542  O OD1 . ASP A 1 107 ? -1.38556  -28.03502 -33.67949 1.000 46.88276  ? 684 ASP A OD1 1 
ATOM   543  O OD2 . ASP A 1 107 ? -3.05601  -26.63239 -33.61578 1.000 47.82125  ? 684 ASP A OD2 1 
ATOM   544  N N   . GLU A 1 108 ? 0.86742   -24.27743 -30.95814 1.000 48.29762  ? 685 GLU A N   1 
ATOM   545  C CA  . GLU A 1 108 ? 1.84452   -23.24767 -30.67521 1.000 49.90696  ? 685 GLU A CA  1 
ATOM   546  C C   . GLU A 1 108 ? 1.65024   -22.82550 -29.23572 1.000 47.85848  ? 685 GLU A C   1 
ATOM   547  O O   . GLU A 1 108 ? 0.55793   -22.96507 -28.67540 1.000 44.27717  ? 685 GLU A O   1 
ATOM   548  C CB  . GLU A 1 108 ? 1.70006   -22.05441 -31.62560 1.000 50.18510  ? 685 GLU A CB  1 
ATOM   549  C CG  . GLU A 1 108 ? 1.44028   -22.43507 -33.06803 1.000 52.27790  ? 685 GLU A CG  1 
ATOM   550  C CD  . GLU A 1 108 ? 1.58525   -21.25933 -34.02429 1.000 56.77743  ? 685 GLU A CD  1 
ATOM   551  O OE1 . GLU A 1 108 ? 2.72859   -20.94244 -34.41939 1.000 61.61400  ? 685 GLU A OE1 1 
ATOM   552  O OE2 . GLU A 1 108 ? 0.56019   -20.64657 -34.39372 1.000 56.24172  ? 685 GLU A OE2 1 
ATOM   553  N N   . ILE A 1 109 ? 2.71835   -22.32744 -28.63597 1.000 42.69058  ? 686 ILE A N   1 
ATOM   554  C CA  . ILE A 1 109 ? 2.65205   -21.83519 -27.26785 1.000 41.77516  ? 686 ILE A CA  1 
ATOM   555  C C   . ILE A 1 109 ? 3.20255   -20.42168 -27.21853 1.000 43.81597  ? 686 ILE A C   1 
ATOM   556  O O   . ILE A 1 109 ? 4.23371   -20.12416 -27.83657 1.000 43.60724  ? 686 ILE A O   1 
ATOM   557  C CB  . ILE A 1 109 ? 3.41617   -22.73830 -26.27841 1.000 43.31572  ? 686 ILE A CB  1 
ATOM   558  C CG1 . ILE A 1 109 ? 2.71079   -24.08946 -26.11191 1.000 43.40149  ? 686 ILE A CG1 1 
ATOM   559  C CG2 . ILE A 1 109 ? 3.52000   -22.04792 -24.94839 1.000 42.60739  ? 686 ILE A CG2 1 
ATOM   560  C CD1 . ILE A 1 109 ? 3.41987   -25.03933 -25.17091 1.000 40.66220  ? 686 ILE A CD1 1 
ATOM   561  N N   . ILE A 1 110 ? 2.50818   -19.55101 -26.48343 1.000 45.25311  ? 687 ILE A N   1 
ATOM   562  C CA  . ILE A 1 110 ? 3.00336   -18.23400 -26.10231 1.000 46.04951  ? 687 ILE A CA  1 
ATOM   563  C C   . ILE A 1 110 ? 3.25833   -18.28760 -24.60716 1.000 47.34665  ? 687 ILE A C   1 
ATOM   564  O O   . ILE A 1 110 ? 2.31794   -18.44219 -23.80751 1.000 46.13470  ? 687 ILE A O   1 
ATOM   565  C CB  . ILE A 1 110 ? 2.01657   -17.11371 -26.44784 1.000 46.60884  ? 687 ILE A CB  1 
ATOM   566  C CG1 . ILE A 1 110 ? 1.78162   -17.04628 -27.94715 1.000 46.19052  ? 687 ILE A CG1 1 
ATOM   567  C CG2 . ILE A 1 110 ? 2.53110   -15.77907 -25.97987 1.000 47.63072  ? 687 ILE A CG2 1 
ATOM   568  C CD1 . ILE A 1 110 ? 0.55699   -16.21252 -28.27597 1.000 46.78044  ? 687 ILE A CD1 1 
ATOM   569  N N   . SER A 1 111 ? 4.52666   -18.12029 -24.23000 1.000 42.63811  ? 688 SER A N   1 
ATOM   570  C CA  . SER A 1 111 ? 4.98181   -18.34234 -22.86531 1.000 43.81763  ? 688 SER A CA  1 
ATOM   571  C C   . SER A 1 111 ? 6.12606   -17.38888 -22.55166 1.000 45.69551  ? 688 SER A C   1 
ATOM   572  O O   . SER A 1 111 ? 7.21190   -17.50750 -23.13707 1.000 40.92896  ? 688 SER A O   1 
ATOM   573  C CB  . SER A 1 111 ? 5.42412   -19.80234 -22.69786 1.000 44.62766  ? 688 SER A CB  1 
ATOM   574  O OG  . SER A 1 111 ? 5.75373   -20.12256 -21.35587 1.000 45.74177  ? 688 SER A OG  1 
ATOM   575  N N   . PRO A 1 112 ? 5.91917   -16.41713 -21.65287 1.000 47.72230  ? 689 PRO A N   1 
ATOM   576  C CA  . PRO A 1 112 ? 4.63659   -16.23649 -20.97414 1.000 46.51037  ? 689 PRO A CA  1 
ATOM   577  C C   . PRO A 1 112 ? 3.66526   -15.43683 -21.81853 1.000 46.67209  ? 689 PRO A C   1 
ATOM   578  O O   . PRO A 1 112 ? 4.11353   -14.72157 -22.71069 1.000 47.60895  ? 689 PRO A O   1 
ATOM   579  C CB  . PRO A 1 112 ? 5.02279   -15.44606 -19.72946 1.000 48.42218  ? 689 PRO A CB  1 
ATOM   580  C CG  . PRO A 1 112 ? 6.17414   -14.59440 -20.20927 1.000 45.74427  ? 689 PRO A CG  1 
ATOM   581  C CD  . PRO A 1 112 ? 6.94559   -15.48834 -21.14416 1.000 46.96511  ? 689 PRO A CD  1 
ATOM   582  N N   . CYS A 1 113 ? 2.37207   -15.51831 -21.51978 1.000 50.57362  ? 690 CYS A N   1 
ATOM   583  C CA  . CYS A 1 113 ? 1.36397   -14.72424 -22.20616 1.000 50.79631  ? 690 CYS A CA  1 
ATOM   584  C C   . CYS A 1 113 ? 0.87720   -13.58743 -21.31644 1.000 50.61225  ? 690 CYS A C   1 
ATOM   585  O O   . CYS A 1 113 ? 1.08178   -13.60018 -20.09601 1.000 51.44977  ? 690 CYS A O   1 
ATOM   586  C CB  . CYS A 1 113 ? 0.16748   -15.59318 -22.61662 1.000 48.68959  ? 690 CYS A CB  1 
ATOM   587  S SG  . CYS A 1 113 ? -0.83100  -16.15336 -21.20425 1.000 51.62438  ? 690 CYS A SG  1 
ATOM   588  N N   . PRO A 1 114 ? 0.22270   -12.58200 -21.88230 1.000 50.15167  ? 691 PRO A N   1 
ATOM   589  C CA  . PRO A 1 114 ? -0.31927  -11.51757 -21.04258 1.000 48.41179  ? 691 PRO A CA  1 
ATOM   590  C C   . PRO A 1 114 ? -1.49200  -12.04025 -20.24212 1.000 50.25767  ? 691 PRO A C   1 
ATOM   591  O O   . PRO A 1 114 ? -2.11976  -13.04729 -20.57142 1.000 51.47581  ? 691 PRO A O   1 
ATOM   592  C CB  . PRO A 1 114 ? -0.75441  -10.44255 -22.03726 1.000 49.70334  ? 691 PRO A CB  1 
ATOM   593  C CG  . PRO A 1 114 ? -0.12525  -10.85304 -23.35534 1.000 51.82499  ? 691 PRO A CG  1 
ATOM   594  C CD  . PRO A 1 114 ? -0.02731  -12.33109 -23.31218 1.000 47.89618  ? 691 PRO A CD  1 
ATOM   595  N N   . TRP A 1 115 ? -1.75956  -11.35133 -19.14518 1.000 54.45595  ? 692 TRP A N   1 
ATOM   596  C CA  . TRP A 1 115 ? -2.78796  -11.81547 -18.23077 1.000 56.18384  ? 692 TRP A CA  1 
ATOM   597  C C   . TRP A 1 115 ? -4.18914  -11.53950 -18.77703 1.000 56.83294  ? 692 TRP A C   1 
ATOM   598  O O   . TRP A 1 115 ? -5.07046  -12.40657 -18.72930 1.000 57.92105  ? 692 TRP A O   1 
ATOM   599  C CB  . TRP A 1 115 ? -2.58933  -11.15082 -16.87573 1.000 59.76854  ? 692 TRP A CB  1 
ATOM   600  C CG  . TRP A 1 115 ? -3.43502  -11.74673 -15.83210 1.000 60.70013  ? 692 TRP A CG  1 
ATOM   601  C CD1 . TRP A 1 115 ? -4.55526  -11.20146 -15.27725 1.000 61.14166  ? 692 TRP A CD1 1 
ATOM   602  C CD2 . TRP A 1 115 ? -3.24479  -13.02016 -15.20204 1.000 59.21708  ? 692 TRP A CD2 1 
ATOM   603  N NE1 . TRP A 1 115 ? -5.07076  -12.05960 -14.33489 1.000 64.02004  ? 692 TRP A NE1 1 
ATOM   604  C CE2 . TRP A 1 115 ? -4.28668  -13.18349 -14.27317 1.000 60.91916  ? 692 TRP A CE2 1 
ATOM   605  C CE3 . TRP A 1 115 ? -2.29215  -14.03191 -15.32865 1.000 59.02615  ? 692 TRP A CE3 1 
ATOM   606  C CZ2 . TRP A 1 115 ? -4.39968  -14.31956 -13.46885 1.000 62.83367  ? 692 TRP A CZ2 1 
ATOM   607  C CZ3 . TRP A 1 115 ? -2.41386  -15.16257 -14.54044 1.000 58.61282  ? 692 TRP A CZ3 1 
ATOM   608  C CH2 . TRP A 1 115 ? -3.45661  -15.29667 -13.62529 1.000 60.82734  ? 692 TRP A CH2 1 
ATOM   609  N N   . VAL A 1 116 ? -4.41800  -10.33628 -19.29662 1.000 57.40203  ? 693 VAL A N   1 
ATOM   610  C CA  . VAL A 1 116 ? -5.68596  -9.97620  -19.91208 1.000 56.52184  ? 693 VAL A CA  1 
ATOM   611  C C   . VAL A 1 116 ? -5.47493  -9.87626  -21.41124 1.000 56.49704  ? 693 VAL A C   1 
ATOM   612  O O   . VAL A 1 116 ? -4.53513  -9.21276  -21.87385 1.000 54.39913  ? 693 VAL A O   1 
ATOM   613  C CB  . VAL A 1 116 ? -6.23631  -8.65772  -19.35709 1.000 59.08692  ? 693 VAL A CB  1 
ATOM   614  C CG1 . VAL A 1 116 ? -7.69698  -8.46853  -19.79755 1.000 56.89297  ? 693 VAL A CG1 1 
ATOM   615  C CG2 . VAL A 1 116 ? -6.11575  -8.63472  -17.84793 1.000 57.38464  ? 693 VAL A CG2 1 
ATOM   616  N N   . VAL A 1 117 ? -6.33951  -10.56278 -22.15958 1.000 56.99881  ? 694 VAL A N   1 
ATOM   617  C CA  . VAL A 1 117 ? -6.34998  -10.46114 -23.60654 1.000 55.74682  ? 694 VAL A CA  1 
ATOM   618  C C   . VAL A 1 117 ? -6.82796  -9.08286  -24.03426 1.000 59.39647  ? 694 VAL A C   1 
ATOM   619  O O   . VAL A 1 117 ? -7.77052  -8.51604  -23.46759 1.000 59.07834  ? 694 VAL A O   1 
ATOM   620  C CB  . VAL A 1 117 ? -7.24786  -11.56664 -24.17844 1.000 59.20473  ? 694 VAL A CB  1 
ATOM   621  C CG1 . VAL A 1 117 ? -7.37950  -11.42824 -25.70240 1.000 57.14814  ? 694 VAL A CG1 1 
ATOM   622  C CG2 . VAL A 1 117 ? -6.69885  -12.92801 -23.78695 1.000 54.79455  ? 694 VAL A CG2 1 
ATOM   623  N N   . THR A 1 118 ? -6.18048  -8.53807  -25.04752 1.000 62.24322  ? 695 THR A N   1 
ATOM   624  C CA  . THR A 1 118 ? -6.53727  -7.24851  -25.59985 1.000 61.96866  ? 695 THR A CA  1 
ATOM   625  C C   . THR A 1 118 ? -6.85200  -7.38728  -27.08143 1.000 62.32805  ? 695 THR A C   1 
ATOM   626  O O   . THR A 1 118 ? -6.37717  -8.31965  -27.73988 1.000 62.05532  ? 695 THR A O   1 
ATOM   627  C CB  . THR A 1 118 ? -5.39084  -6.24790  -25.39748 1.000 63.03973  ? 695 THR A CB  1 
ATOM   628  O OG1 . THR A 1 118 ? -4.18386  -6.79362  -25.94664 1.000 63.40890  ? 695 THR A OG1 1 
ATOM   629  C CG2 . THR A 1 118 ? -5.17893  -5.99610  -23.90993 1.000 62.29880  ? 695 THR A CG2 1 
ATOM   630  N N   . PRO A 1 119 ? -7.66903  -6.48714  -27.63789 1.000 62.96025  ? 696 PRO A N   1 
ATOM   631  C CA  . PRO A 1 119 ? -7.85680  -6.47998  -29.09683 1.000 62.63457  ? 696 PRO A CA  1 
ATOM   632  C C   . PRO A 1 119 ? -6.53921  -6.39821  -29.85382 1.000 64.55544  ? 696 PRO A C   1 
ATOM   633  O O   . PRO A 1 119 ? -6.38834  -7.02864  -30.91031 1.000 64.38482  ? 696 PRO A O   1 
ATOM   634  C CB  . PRO A 1 119 ? -8.72918  -5.23890  -29.32840 1.000 64.56409  ? 696 PRO A CB  1 
ATOM   635  C CG  . PRO A 1 119 ? -9.44521  -5.01937  -28.03652 1.000 64.24567  ? 696 PRO A CG  1 
ATOM   636  C CD  . PRO A 1 119 ? -8.47598  -5.45590  -26.96618 1.000 63.74878  ? 696 PRO A CD  1 
ATOM   637  N N   . GLU A 1 120 ? -5.57704  -5.62210  -29.34016 1.000 64.11305  ? 697 GLU A N   1 
ATOM   638  C CA  . GLU A 1 120 ? -4.26358  -5.55089  -29.97190 1.000 62.58401  ? 697 GLU A CA  1 
ATOM   639  C C   . GLU A 1 120 ? -3.59376  -6.91316  -29.97663 1.000 62.41704  ? 697 GLU A C   1 
ATOM   640  O O   . GLU A 1 120 ? -2.91634  -7.27893  -30.94531 1.000 63.15127  ? 697 GLU A O   1 
ATOM   641  C CB  . GLU A 1 120 ? -3.37640  -4.52812  -29.25292 1.000 64.49805  ? 697 GLU A CB  1 
ATOM   642  C CG  . GLU A 1 120 ? -3.74864  -3.08321  -29.49895 1.000 67.49080  ? 697 GLU A CG  1 
ATOM   643  C CD  . GLU A 1 120 ? -5.11824  -2.71507  -28.94444 1.000 70.91594  ? 697 GLU A CD  1 
ATOM   644  O OE1 . GLU A 1 120 ? -5.65872  -3.50580  -28.13505 1.000 68.26785  ? 697 GLU A OE1 1 
ATOM   645  O OE2 . GLU A 1 120 ? -5.65712  -1.63979  -29.32562 1.000 74.65550  ? 697 GLU A OE2 1 
ATOM   646  N N   . PHE A 1 121 ? -3.77236  -7.68212  -28.89998 1.000 49.96330  ? 698 PHE A N   1 
ATOM   647  C CA  . PHE A 1 121 ? -3.17773  -9.00872  -28.84736 1.000 49.08044  ? 698 PHE A CA  1 
ATOM   648  C C   . PHE A 1 121 ? -3.74928  -9.90649  -29.93588 1.000 49.61472  ? 698 PHE A C   1 
ATOM   649  O O   . PHE A 1 121 ? -3.02004  -10.70820 -30.54260 1.000 48.20273  ? 698 PHE A O   1 
ATOM   650  C CB  . PHE A 1 121 ? -3.40466  -9.62192  -27.46504 1.000 47.74475  ? 698 PHE A CB  1 
ATOM   651  C CG  . PHE A 1 121 ? -2.75599  -10.96748 -27.27624 1.000 43.31645  ? 698 PHE A CG  1 
ATOM   652  C CD1 . PHE A 1 121 ? -1.41943  -11.06209 -26.91828 1.000 42.92614  ? 698 PHE A CD1 1 
ATOM   653  C CD2 . PHE A 1 121 ? -3.49041  -12.14269 -27.42622 1.000 45.15362  ? 698 PHE A CD2 1 
ATOM   654  C CE1 . PHE A 1 121 ? -0.82101  -12.32345 -26.70989 1.000 44.07671  ? 698 PHE A CE1 1 
ATOM   655  C CE2 . PHE A 1 121 ? -2.89127  -13.40122 -27.23202 1.000 40.83874  ? 698 PHE A CE2 1 
ATOM   656  C CZ  . PHE A 1 121 ? -1.55068  -13.47401 -26.86998 1.000 40.44309  ? 698 PHE A CZ  1 
ATOM   657  N N   . LEU A 1 122 ? -5.05942  -9.81275  -30.17194 1.000 56.61295  ? 699 LEU A N   1 
ATOM   658  C CA  . LEU A 1 122 ? -5.70672  -10.61390 -31.20716 1.000 57.25129  ? 699 LEU A CA  1 
ATOM   659  C C   . LEU A 1 122 ? -5.11807  -10.31737 -32.58251 1.000 57.63388  ? 699 LEU A C   1 
ATOM   660  O O   . LEU A 1 122 ? -4.68810  -11.22441 -33.30523 1.000 57.65847  ? 699 LEU A O   1 
ATOM   661  C CB  . LEU A 1 122 ? -7.21404  -10.33535 -31.20136 1.000 59.04123  ? 699 LEU A CB  1 
ATOM   662  C CG  . LEU A 1 122 ? -7.86687  -10.56560 -29.83974 1.000 59.41408  ? 699 LEU A CG  1 
ATOM   663  C CD1 . LEU A 1 122 ? -9.36400  -10.31549 -29.92254 1.000 59.27930  ? 699 LEU A CD1 1 
ATOM   664  C CD2 . LEU A 1 122 ? -7.54893  -11.99735 -29.36699 1.000 55.03446  ? 699 LEU A CD2 1 
ATOM   665  N N   . GLU A 1 123 ? -5.11553  -9.04455  -32.96993 1.000 62.96457  ? 700 GLU A N   1 
ATOM   666  C CA  . GLU A 1 123 ? -4.57143  -8.67773  -34.26814 1.000 65.66067  ? 700 GLU A CA  1 
ATOM   667  C C   . GLU A 1 123 ? -3.09500  -9.02906  -34.35578 1.000 66.25895  ? 700 GLU A C   1 
ATOM   668  O O   . GLU A 1 123 ? -2.61355  -9.46444  -35.40959 1.000 67.73143  ? 700 GLU A O   1 
ATOM   669  C CB  . GLU A 1 123 ? -4.77111  -7.18629  -34.52945 1.000 64.44545  ? 700 GLU A CB  1 
ATOM   670  C CG  . GLU A 1 123 ? -4.91276  -6.84682  -35.99956 1.000 72.13754  ? 700 GLU A CG  1 
ATOM   671  C CD  . GLU A 1 123 ? -6.36043  -6.92823  -36.48712 1.000 75.89958  ? 700 GLU A CD  1 
ATOM   672  O OE1 . GLU A 1 123 ? -7.07848  -5.91232  -36.34476 1.000 76.57172  ? 700 GLU A OE1 1 
ATOM   673  O OE2 . GLU A 1 123 ? -6.77721  -7.99459  -37.00733 1.000 73.23554  ? 700 GLU A OE2 1 
ATOM   674  N N   . LYS A 1 124 ? -2.35309  -8.83581  -33.26340 1.000 60.51561  ? 701 LYS A N   1 
ATOM   675  C CA  . LYS A 1 124 ? -0.93130  -9.15186  -33.29745 1.000 59.28261  ? 701 LYS A CA  1 
ATOM   676  C C   . LYS A 1 124 ? -0.71123  -10.58211 -33.77459 1.000 58.17650  ? 701 LYS A C   1 
ATOM   677  O O   . LYS A 1 124 ? 0.07953   -10.81740 -34.69455 1.000 58.19342  ? 701 LYS A O   1 
ATOM   678  C CB  . LYS A 1 124 ? -0.29583  -8.92368  -31.92251 1.000 58.09965  ? 701 LYS A CB  1 
ATOM   679  C CG  . LYS A 1 124 ? 1.19328   -9.22531  -31.90389 1.000 58.95728  ? 701 LYS A CG  1 
ATOM   680  C CD  . LYS A 1 124 ? 1.82445   -8.92073  -30.55767 1.000 57.57791  ? 701 LYS A CD  1 
ATOM   681  C CE  . LYS A 1 124 ? 3.33676   -9.02399  -30.64049 1.000 56.78218  ? 701 LYS A CE  1 
ATOM   682  N NZ  . LYS A 1 124 ? 3.95764   -9.16984  -29.28542 1.000 60.79728  ? 701 LYS A NZ  1 
ATOM   683  N N   . TYR A 1 125 ? -1.44394  -11.54335 -33.18993 1.000 52.19638  ? 702 TYR A N   1 
ATOM   684  C CA  . TYR A 1 125 ? -1.25813  -12.97838 -33.41868 1.000 52.36693  ? 702 TYR A CA  1 
ATOM   685  C C   . TYR A 1 125 ? -2.27982  -13.58886 -34.39060 1.000 52.03303  ? 702 TYR A C   1 
ATOM   686  O O   . TYR A 1 125 ? -2.32874  -14.81254 -34.54031 1.000 48.99198  ? 702 TYR A O   1 
ATOM   687  C CB  . TYR A 1 125 ? -1.30115  -13.73431 -32.08613 1.000 50.54916  ? 702 TYR A CB  1 
ATOM   688  C CG  . TYR A 1 125 ? -0.12664  -13.43353 -31.17778 1.000 51.89211  ? 702 TYR A CG  1 
ATOM   689  C CD1 . TYR A 1 125 ? 1.07675   -14.12704 -31.30240 1.000 53.96084  ? 702 TYR A CD1 1 
ATOM   690  C CD2 . TYR A 1 125 ? -0.21239  -12.46637 -30.19944 1.000 50.92875  ? 702 TYR A CD2 1 
ATOM   691  C CE1 . TYR A 1 125 ? 2.16529   -13.84932 -30.47798 1.000 52.60409  ? 702 TYR A CE1 1 
ATOM   692  C CE2 . TYR A 1 125 ? 0.86199   -12.19012 -29.37269 1.000 50.71702  ? 702 TYR A CE2 1 
ATOM   693  C CZ  . TYR A 1 125 ? 2.04854   -12.88023 -29.51719 1.000 51.47487  ? 702 TYR A CZ  1 
ATOM   694  O OH  . TYR A 1 125 ? 3.11987   -12.58472 -28.69661 1.000 53.73218  ? 702 TYR A OH  1 
ATOM   695  N N   . LYS A 1 126 ? -3.09380  -12.77367 -35.04832 1.000 55.36597  ? 703 LYS A N   1 
ATOM   696  C CA  . LYS A 1 126 ? -4.03420  -13.27731 -36.04818 1.000 56.84239  ? 703 LYS A CA  1 
ATOM   697  C C   . LYS A 1 126 ? -5.02481  -14.26414 -35.42708 1.000 53.64214  ? 703 LYS A C   1 
ATOM   698  O O   . LYS A 1 126 ? -5.37038  -15.28678 -36.03281 1.000 52.12407  ? 703 LYS A O   1 
ATOM   699  C CB  . LYS A 1 126 ? -3.27355  -13.92306 -37.21640 1.000 56.46444  ? 703 LYS A CB  1 
ATOM   700  N N   . ILE A 1 127 ? -5.47211  -13.96390 -34.19803 1.000 52.26880  ? 704 ILE A N   1 
ATOM   701  C CA  . ILE A 1 127 ? -6.33950  -14.85239 -33.42371 1.000 51.61547  ? 704 ILE A CA  1 
ATOM   702  C C   . ILE A 1 127 ? -7.79012  -14.57693 -33.79004 1.000 50.55600  ? 704 ILE A C   1 
ATOM   703  O O   . ILE A 1 127 ? -8.23807  -13.42924 -33.74019 1.000 54.84837  ? 704 ILE A O   1 
ATOM   704  C CB  . ILE A 1 127 ? -6.10805  -14.66346 -31.91286 1.000 53.44521  ? 704 ILE A CB  1 
ATOM   705  C CG1 . ILE A 1 127 ? -4.72677  -15.19492 -31.53317 1.000 54.69189  ? 704 ILE A CG1 1 
ATOM   706  C CG2 . ILE A 1 127 ? -7.15578  -15.39993 -31.09741 1.000 52.12644  ? 704 ILE A CG2 1 
ATOM   707  C CD1 . ILE A 1 127 ? -4.23699  -14.66334 -30.20346 1.000 57.17133  ? 704 ILE A CD1 1 
ATOM   708  N N   . ASP A 1 128 ? -8.52624  -15.62240 -34.16752 1.000 46.48850  ? 705 ASP A N   1 
ATOM   709  C CA  . ASP A 1 128 ? -9.93105  -15.48816 -34.56195 1.000 45.93132  ? 705 ASP A CA  1 
ATOM   710  C C   . ASP A 1 128 ? -10.88783 -15.72341 -33.39874 1.000 49.19896  ? 705 ASP A C   1 
ATOM   711  O O   . ASP A 1 128 ? -11.91782 -15.05132 -33.29452 1.000 47.66344  ? 705 ASP A O   1 
ATOM   712  C CB  . ASP A 1 128 ? -10.25424 -16.47743 -35.67945 1.000 45.65001  ? 705 ASP A CB  1 
ATOM   713  C CG  . ASP A 1 128 ? -9.49111  -16.18569 -36.94477 1.000 43.92961  ? 705 ASP A CG  1 
ATOM   714  O OD1 . ASP A 1 128 ? -9.74875  -15.15039 -37.59730 1.000 46.50106  ? 705 ASP A OD1 1 
ATOM   715  O OD2 . ASP A 1 128 ? -8.59345  -16.96946 -37.28023 1.000 45.01236  ? 705 ASP A OD2 1 
ATOM   716  N N   . TYR A 1 129 ? -10.56080 -16.66124 -32.50811 1.000 44.23962  ? 706 TYR A N   1 
ATOM   717  C CA  . TYR A 1 129 ? -11.41993 -16.96324 -31.37548 1.000 47.34736  ? 706 TYR A CA  1 
ATOM   718  C C   . TYR A 1 129 ? -10.58715 -17.19162 -30.12628 1.000 49.16929  ? 706 TYR A C   1 
ATOM   719  O O   . TYR A 1 129 ? -9.53736  -17.84296 -30.17958 1.000 45.84793  ? 706 TYR A O   1 
ATOM   720  C CB  . TYR A 1 129 ? -12.27225 -18.21111 -31.63347 1.000 46.75543  ? 706 TYR A CB  1 
ATOM   721  C CG  . TYR A 1 129 ? -13.16718 -18.12717 -32.84073 1.000 45.57173  ? 706 TYR A CG  1 
ATOM   722  C CD1 . TYR A 1 129 ? -14.45367 -17.61086 -32.73958 1.000 48.03255  ? 706 TYR A CD1 1 
ATOM   723  C CD2 . TYR A 1 129 ? -12.74756 -18.62428 -34.08040 1.000 46.68485  ? 706 TYR A CD2 1 
ATOM   724  C CE1 . TYR A 1 129 ? -15.28932 -17.56967 -33.83393 1.000 47.09548  ? 706 TYR A CE1 1 
ATOM   725  C CE2 . TYR A 1 129 ? -13.58319 -18.58302 -35.19706 1.000 44.17806  ? 706 TYR A CE2 1 
ATOM   726  C CZ  . TYR A 1 129 ? -14.85272 -18.04463 -35.06571 1.000 45.33712  ? 706 TYR A CZ  1 
ATOM   727  O OH  . TYR A 1 129 ? -15.69044 -17.99067 -36.16465 1.000 44.01347  ? 706 TYR A OH  1 
ATOM   728  N N   . VAL A 1 130 ? -11.07934 -16.67444 -28.99842 1.000 45.21305  ? 707 VAL A N   1 
ATOM   729  C CA  . VAL A 1 130 ? -10.53984 -16.98794 -27.68407 1.000 47.24800  ? 707 VAL A CA  1 
ATOM   730  C C   . VAL A 1 130 ? -11.37803 -18.11566 -27.10026 1.000 51.30717  ? 707 VAL A C   1 
ATOM   731  O O   . VAL A 1 130 ? -12.61221 -18.07404 -27.16924 1.000 55.93331  ? 707 VAL A O   1 
ATOM   732  C CB  . VAL A 1 130 ? -10.55613 -15.75009 -26.77553 1.000 48.55810  ? 707 VAL A CB  1 
ATOM   733  C CG1 . VAL A 1 130 ? -10.08031 -16.09736 -25.38164 1.000 50.46447  ? 707 VAL A CG1 1 
ATOM   734  C CG2 . VAL A 1 130 ? -9.69732  -14.66375 -27.37758 1.000 49.07520  ? 707 VAL A CG2 1 
ATOM   735  N N   . ALA A 1 131 ? -10.71737 -19.13802 -26.56031 1.000 46.32311  ? 708 ALA A N   1 
ATOM   736  C CA  . ALA A 1 131 ? -11.38232 -20.29652 -25.97337 1.000 51.17299  ? 708 ALA A CA  1 
ATOM   737  C C   . ALA A 1 131 ? -10.97743 -20.36864 -24.51625 1.000 52.32219  ? 708 ALA A C   1 
ATOM   738  O O   . ALA A 1 131 ? -9.79237  -20.53775 -24.21391 1.000 51.70859  ? 708 ALA A O   1 
ATOM   739  C CB  . ALA A 1 131 ? -11.00810 -21.60045 -26.69034 1.000 47.31121  ? 708 ALA A CB  1 
ATOM   740  N N   . HIS A 1 132 ? -11.95912 -20.23432 -23.62630 1.000 51.90789  ? 709 HIS A N   1 
ATOM   741  C CA  . HIS A 1 132 ? -11.75215 -20.17225 -22.18363 1.000 57.87573  ? 709 HIS A CA  1 
ATOM   742  C C   . HIS A 1 132 ? -13.03722 -20.59994 -21.47812 1.000 60.10487  ? 709 HIS A C   1 
ATOM   743  O O   . HIS A 1 132 ? -14.13100 -20.49156 -22.03577 1.000 59.09012  ? 709 HIS A O   1 
ATOM   744  C CB  . HIS A 1 132 ? -11.34311 -18.76005 -21.73978 1.000 56.35890  ? 709 HIS A CB  1 
ATOM   745  C CG  . HIS A 1 132 ? -10.63251 -18.72968 -20.42762 1.000 58.10989  ? 709 HIS A CG  1 
ATOM   746  N ND1 . HIS A 1 132 ? -11.28645 -18.52712 -19.23360 1.000 61.94284  ? 709 HIS A ND1 1 
ATOM   747  C CD2 . HIS A 1 132 ? -9.32468  -18.90149 -20.12002 1.000 55.62265  ? 709 HIS A CD2 1 
ATOM   748  C CE1 . HIS A 1 132 ? -10.41161 -18.56838 -18.24299 1.000 62.97258  ? 709 HIS A CE1 1 
ATOM   749  N NE2 . HIS A 1 132 ? -9.21573  -18.79687 -18.75450 1.000 60.45341  ? 709 HIS A NE2 1 
ATOM   750  N N   . ASP A 1 133 ? -12.90322 -21.09140 -20.25250 1.000 78.42214  ? 710 ASP A N   1 
ATOM   751  C CA  . ASP A 1 133 ? -14.11137 -21.43585 -19.51922 1.000 82.81164  ? 710 ASP A CA  1 
ATOM   752  C C   . ASP A 1 133 ? -14.92343 -20.17128 -19.22316 1.000 85.33158  ? 710 ASP A C   1 
ATOM   753  O O   . ASP A 1 133 ? -14.42170 -19.04633 -19.29539 1.000 83.62916  ? 710 ASP A O   1 
ATOM   754  C CB  . ASP A 1 133 ? -13.77376 -22.20143 -18.23434 1.000 82.34276  ? 710 ASP A CB  1 
ATOM   755  C CG  . ASP A 1 133 ? -12.62110 -21.58121 -17.45482 1.000 85.86260  ? 710 ASP A CG  1 
ATOM   756  O OD1 . ASP A 1 133 ? -12.61998 -20.34818 -17.27402 1.000 88.08662  ? 710 ASP A OD1 1 
ATOM   757  O OD2 . ASP A 1 133 ? -11.71924 -22.32637 -17.00305 1.000 87.54953  ? 710 ASP A OD2 1 
ATOM   758  N N   . ASP A 1 134 ? -16.20620 -20.36460 -18.92505 1.000 98.12371  ? 711 ASP A N   1 
ATOM   759  C CA  . ASP A 1 134 ? -17.10180 -19.24265 -18.63359 1.000 99.52904  ? 711 ASP A CA  1 
ATOM   760  C C   . ASP A 1 134 ? -17.73407 -19.38473 -17.25149 1.000 102.69594 ? 711 ASP A C   1 
ATOM   761  O O   . ASP A 1 134 ? -17.32761 -18.71903 -16.29773 1.000 108.31467 ? 711 ASP A O   1 
ATOM   762  C CB  . ASP A 1 134 ? -18.19698 -19.13436 -19.70531 1.000 100.15203 ? 711 ASP A CB  1 
ATOM   763  C CG  . ASP A 1 134 ? -18.77010 -17.71977 -19.83271 1.000 100.24669 ? 711 ASP A CG  1 
ATOM   764  O OD1 . ASP A 1 134 ? -18.16383 -16.76568 -19.29495 1.000 100.90961 ? 711 ASP A OD1 1 
ATOM   765  O OD2 . ASP A 1 134 ? -19.83184 -17.56485 -20.47597 1.000 99.40271  ? 711 ASP A OD2 1 
ATOM   766  N N   . ASP A 1 144 ? -18.74053 -9.37396  -17.80934 1.000 94.24260  ? 739 ASP A N   1 
ATOM   767  C CA  . ASP A 1 144 ? -17.58375 -10.14346 -17.37653 1.000 93.09447  ? 739 ASP A CA  1 
ATOM   768  C C   . ASP A 1 144 ? -16.33223 -9.72148  -18.14813 1.000 90.35761  ? 739 ASP A C   1 
ATOM   769  O O   . ASP A 1 144 ? -16.37316 -8.79342  -18.94969 1.000 87.02774  ? 739 ASP A O   1 
ATOM   770  C CB  . ASP A 1 144 ? -17.84197 -11.65303 -17.53160 1.000 94.89034  ? 739 ASP A CB  1 
ATOM   771  C CG  . ASP A 1 144 ? -18.29209 -12.05036 -18.93966 1.000 93.59013  ? 739 ASP A CG  1 
ATOM   772  O OD1 . ASP A 1 144 ? -19.28623 -11.49095 -19.45378 1.000 92.93562  ? 739 ASP A OD1 1 
ATOM   773  O OD2 . ASP A 1 144 ? -17.65704 -12.94998 -19.53102 1.000 92.78093  ? 739 ASP A OD2 1 
ATOM   774  N N   . ILE A 1 145 ? -15.21136 -10.39062 -17.86612 1.000 85.41151  ? 740 ILE A N   1 
ATOM   775  C CA  . ILE A 1 145 ? -13.95339 -10.12425 -18.55791 1.000 82.84145  ? 740 ILE A CA  1 
ATOM   776  C C   . ILE A 1 145 ? -14.04685 -10.41359 -20.05809 1.000 81.75169  ? 740 ILE A C   1 
ATOM   777  O O   . ILE A 1 145 ? -13.26728 -9.86574  -20.85071 1.000 77.06238  ? 740 ILE A O   1 
ATOM   778  C CB  . ILE A 1 145 ? -12.83097 -10.96064 -17.90088 1.000 82.41526  ? 740 ILE A CB  1 
ATOM   779  C CG1 . ILE A 1 145 ? -12.56400 -10.48142 -16.47189 1.000 85.02200  ? 740 ILE A CG1 1 
ATOM   780  C CG2 . ILE A 1 145 ? -11.55871 -10.95510 -18.75175 1.000 79.98450  ? 740 ILE A CG2 1 
ATOM   781  C CD1 . ILE A 1 145 ? -13.65794 -10.83840 -15.46198 1.000 91.21546  ? 740 ILE A CD1 1 
ATOM   782  N N   . TYR A 1 146 ? -14.98098 -11.27203 -20.46797 1.000 73.48016  ? 741 TYR A N   1 
ATOM   783  C CA  . TYR A 1 146 ? -15.07030 -11.73587 -21.83952 1.000 71.57462  ? 741 TYR A CA  1 
ATOM   784  C C   . TYR A 1 146 ? -16.25317 -11.15268 -22.59466 1.000 69.28943  ? 741 TYR A C   1 
ATOM   785  O O   . TYR A 1 146 ? -16.41833 -11.44970 -23.78242 1.000 65.00931  ? 741 TYR A O   1 
ATOM   786  C CB  . TYR A 1 146 ? -15.12880 -13.26332 -21.85265 1.000 73.18693  ? 741 TYR A CB  1 
ATOM   787  C CG  . TYR A 1 146 ? -13.95412 -13.86817 -21.12733 1.000 76.45905  ? 741 TYR A CG  1 
ATOM   788  C CD1 . TYR A 1 146 ? -12.72011 -13.98235 -21.74990 1.000 73.26361  ? 741 TYR A CD1 1 
ATOM   789  C CD2 . TYR A 1 146 ? -14.06360 -14.28517 -19.80398 1.000 79.53482  ? 741 TYR A CD2 1 
ATOM   790  C CE1 . TYR A 1 146 ? -11.63003 -14.51190 -21.08372 1.000 72.51321  ? 741 TYR A CE1 1 
ATOM   791  C CE2 . TYR A 1 146 ? -12.97985 -14.81923 -19.13285 1.000 77.47277  ? 741 TYR A CE2 1 
ATOM   792  C CZ  . TYR A 1 146 ? -11.76312 -14.92812 -19.78133 1.000 74.85279  ? 741 TYR A CZ  1 
ATOM   793  O OH  . TYR A 1 146 ? -10.66659 -15.45652 -19.12938 1.000 74.44692  ? 741 TYR A OH  1 
ATOM   794  N N   . ALA A 1 147 ? -17.06995 -10.32413 -21.94096 1.000 60.56929  ? 742 ALA A N   1 
ATOM   795  C CA  . ALA A 1 147 ? -18.15296 -9.63373  -22.63251 1.000 60.55510  ? 742 ALA A CA  1 
ATOM   796  C C   . ALA A 1 147 ? -17.69427 -9.10190  -23.98607 1.000 54.68971  ? 742 ALA A C   1 
ATOM   797  O O   . ALA A 1 147 ? -18.29066 -9.41434  -25.02469 1.000 51.33938  ? 742 ALA A O   1 
ATOM   798  C CB  . ALA A 1 147 ? -18.68972 -8.49218  -21.76417 1.000 60.78243  ? 742 ALA A CB  1 
ATOM   799  N N   . TRP A 1 148 ? -16.61157 -8.31539  -23.99356 1.000 62.92886  ? 743 TRP A N   1 
ATOM   800  C CA  . TRP A 1 148 ? -16.14887 -7.71495  -25.23959 1.000 60.45977  ? 743 TRP A CA  1 
ATOM   801  C C   . TRP A 1 148 ? -15.82104 -8.77647  -26.27789 1.000 59.92956  ? 743 TRP A C   1 
ATOM   802  O O   . TRP A 1 148 ? -16.06844 -8.57633  -27.47394 1.000 59.32860  ? 743 TRP A O   1 
ATOM   803  C CB  . TRP A 1 148 ? -14.93818 -6.81556  -24.97935 1.000 61.00424  ? 743 TRP A CB  1 
ATOM   804  C CG  . TRP A 1 148 ? -13.62715 -7.52552  -24.69086 1.000 61.98630  ? 743 TRP A CG  1 
ATOM   805  C CD1 . TRP A 1 148 ? -13.14808 -7.91679  -23.46544 1.000 64.93560  ? 743 TRP A CD1 1 
ATOM   806  C CD2 . TRP A 1 148 ? -12.60931 -7.87605  -25.64619 1.000 58.93485  ? 743 TRP A CD2 1 
ATOM   807  N NE1 . TRP A 1 148 ? -11.90391 -8.50379  -23.60620 1.000 63.43657  ? 743 TRP A NE1 1 
ATOM   808  C CE2 . TRP A 1 148 ? -11.55159 -8.48343  -24.93058 1.000 58.00695  ? 743 TRP A CE2 1 
ATOM   809  C CE3 . TRP A 1 148 ? -12.49490 -7.74063  -27.03924 1.000 56.31418  ? 743 TRP A CE3 1 
ATOM   810  C CZ2 . TRP A 1 148 ? -10.39913 -8.95125  -25.55535 1.000 58.57492  ? 743 TRP A CZ2 1 
ATOM   811  C CZ3 . TRP A 1 148 ? -11.34383 -8.20472  -27.65904 1.000 56.37987  ? 743 TRP A CZ3 1 
ATOM   812  C CH2 . TRP A 1 148 ? -10.30684 -8.79839  -26.91372 1.000 55.76681  ? 743 TRP A CH2 1 
ATOM   813  N N   . LEU A 1 149 ? -15.25848 -9.91460  -25.84599 1.000 55.83008  ? 744 LEU A N   1 
ATOM   814  C CA  . LEU A 1 149 ? -14.99476 -11.01664 -26.77255 1.000 53.90164  ? 744 LEU A CA  1 
ATOM   815  C C   . LEU A 1 149 ? -16.29347 -11.61853 -27.30296 1.000 53.51387  ? 744 LEU A C   1 
ATOM   816  O O   . LEU A 1 149 ? -16.42648 -11.88953 -28.50082 1.000 50.78662  ? 744 LEU A O   1 
ATOM   817  C CB  . LEU A 1 149 ? -14.16415 -12.10281 -26.08680 1.000 56.41755  ? 744 LEU A CB  1 
ATOM   818  C CG  . LEU A 1 149 ? -12.66056 -11.90542 -25.90846 1.000 56.29570  ? 744 LEU A CG  1 
ATOM   819  C CD1 . LEU A 1 149 ? -12.10747 -12.98600 -25.00654 1.000 56.80179  ? 744 LEU A CD1 1 
ATOM   820  C CD2 . LEU A 1 149 ? -11.98044 -11.94894 -27.26528 1.000 50.12632  ? 744 LEU A CD2 1 
ATOM   821  N N   . LYS A 1 150 ? -17.25977 -11.86326 -26.42173 1.000 50.63260  ? 745 LYS A N   1 
ATOM   822  C CA  . LYS A 1 150 ? -18.52186 -12.40987 -26.90079 1.000 50.27560  ? 745 LYS A CA  1 
ATOM   823  C C   . LYS A 1 150 ? -19.23755 -11.40420 -27.79592 1.000 47.19477  ? 745 LYS A C   1 
ATOM   824  O O   . LYS A 1 150 ? -19.85908 -11.78259 -28.79741 1.000 46.30545  ? 745 LYS A O   1 
ATOM   825  C CB  . LYS A 1 150 ? -19.40575 -12.81088 -25.72541 1.000 54.96991  ? 745 LYS A CB  1 
ATOM   826  C CG  . LYS A 1 150 ? -18.77304 -13.77080 -24.71377 1.000 60.13278  ? 745 LYS A CG  1 
ATOM   827  C CD  . LYS A 1 150 ? -19.67861 -13.85373 -23.47219 1.000 63.25057  ? 745 LYS A CD  1 
ATOM   828  C CE  . LYS A 1 150 ? -19.14370 -14.78257 -22.39959 1.000 67.88842  ? 745 LYS A CE  1 
ATOM   829  N NZ  . LYS A 1 150 ? -20.11652 -14.88925 -21.26444 1.000 72.53232  ? 745 LYS A NZ  1 
ATOM   830  N N   . ARG A 1 151 ? -19.15653 -10.11596 -27.45898 1.000 59.26217  ? 746 ARG A N   1 
ATOM   831  C CA  . ARG A 1 151 ? -19.78773 -9.10159  -28.29464 1.000 58.61233  ? 746 ARG A CA  1 
ATOM   832  C C   . ARG A 1 151 ? -19.24267 -9.14490  -29.72115 1.000 57.08334  ? 746 ARG A C   1 
ATOM   833  O O   . ARG A 1 151 ? -19.99788 -8.99690  -30.68904 1.000 55.96022  ? 746 ARG A O   1 
ATOM   834  C CB  . ARG A 1 151 ? -19.58739 -7.71802  -27.67495 1.000 57.79967  ? 746 ARG A CB  1 
ATOM   835  C CG  . ARG A 1 151 ? -20.74287 -6.74797  -27.86654 1.000 62.98398  ? 746 ARG A CG  1 
ATOM   836  C CD  . ARG A 1 151 ? -20.74803 -5.67505  -26.74929 1.000 62.39480  ? 746 ARG A CD  1 
ATOM   837  N NE  . ARG A 1 151 ? -19.37581 -5.28164  -26.42957 1.000 68.05298  ? 746 ARG A NE  1 
ATOM   838  C CZ  . ARG A 1 151 ? -18.90929 -5.05179  -25.20594 1.000 68.38609  ? 746 ARG A CZ  1 
ATOM   839  N NH1 . ARG A 1 151 ? -19.70364 -5.06784  -24.14469 1.000 68.59142  ? 746 ARG A NH1 1 
ATOM   840  N NH2 . ARG A 1 151 ? -17.60568 -4.82786  -25.03976 1.000 66.24387  ? 746 ARG A NH2 1 
ATOM   841  N N   . ALA A 1 152 ? -17.93806 -9.36670  -29.87856 1.000 52.27035  ? 747 ALA A N   1 
ATOM   842  C CA  . ALA A 1 152 ? -17.34095 -9.39533  -31.20941 1.000 51.31853  ? 747 ALA A CA  1 
ATOM   843  C C   . ALA A 1 152 ? -17.47380 -10.74729 -31.89326 1.000 53.66173  ? 747 ALA A C   1 
ATOM   844  O O   . ALA A 1 152 ? -16.93863 -10.91986 -32.99931 1.000 53.83409  ? 747 ALA A O   1 
ATOM   845  C CB  . ALA A 1 152 ? -15.86283 -9.01445  -31.13996 1.000 51.22941  ? 747 ALA A CB  1 
ATOM   846  N N   . GLY A 1 153 ? -18.16165 -11.70624 -31.27445 1.000 55.21499  ? 748 GLY A N   1 
ATOM   847  C CA  . GLY A 1 153 ? -18.31439 -13.02421 -31.86275 1.000 55.38374  ? 748 GLY A CA  1 
ATOM   848  C C   . GLY A 1 153 ? -17.11470 -13.92715 -31.72421 1.000 56.07370  ? 748 GLY A C   1 
ATOM   849  O O   . GLY A 1 153 ? -17.06993 -14.97768 -32.37452 1.000 58.12538  ? 748 GLY A O   1 
ATOM   850  N N   . LYS A 1 154 ? -16.14885 -13.56873 -30.87986 1.000 55.88992  ? 749 LYS A N   1 
ATOM   851  C CA  . LYS A 1 154 ? -14.85788 -14.24486 -30.83956 1.000 57.39485  ? 749 LYS A CA  1 
ATOM   852  C C   . LYS A 1 154 ? -14.65374 -15.06662 -29.57148 1.000 58.77225  ? 749 LYS A C   1 
ATOM   853  O O   . LYS A 1 154 ? -13.51639 -15.42767 -29.24650 1.000 59.52028  ? 749 LYS A O   1 
ATOM   854  C CB  . LYS A 1 154 ? -13.72834 -13.22871 -30.97899 1.000 57.29855  ? 749 LYS A CB  1 
ATOM   855  C CG  . LYS A 1 154 ? -13.92223 -12.23918 -32.09042 1.000 57.44828  ? 749 LYS A CG  1 
ATOM   856  C CD  . LYS A 1 154 ? -12.57024 -11.72782 -32.54925 1.000 59.34963  ? 749 LYS A CD  1 
ATOM   857  C CE  . LYS A 1 154 ? -12.68387 -10.57924 -33.53659 1.000 59.27761  ? 749 LYS A CE  1 
ATOM   858  N NZ  . LYS A 1 154 ? -11.30954 -10.18510 -33.97739 1.000 64.92630  ? 749 LYS A NZ  1 
ATOM   859  N N   . PHE A 1 155 ? -15.71923 -15.38240 -28.84736 1.000 56.16205  ? 750 PHE A N   1 
ATOM   860  C CA  . PHE A 1 155 ? -15.59176 -16.17095 -27.63517 1.000 56.32139  ? 750 PHE A CA  1 
ATOM   861  C C   . PHE A 1 155 ? -16.18609 -17.55398 -27.85309 1.000 58.98782  ? 750 PHE A C   1 
ATOM   862  O O   . PHE A 1 155 ? -17.37155 -17.68720 -28.17063 1.000 61.34613  ? 750 PHE A O   1 
ATOM   863  C CB  . PHE A 1 155 ? -16.25909 -15.49094 -26.45223 1.000 55.97340  ? 750 PHE A CB  1 
ATOM   864  C CG  . PHE A 1 155 ? -16.05913 -16.22884 -25.17713 1.000 59.45732  ? 750 PHE A CG  1 
ATOM   865  C CD1 . PHE A 1 155 ? -14.79393 -16.30940 -24.60619 1.000 62.54696  ? 750 PHE A CD1 1 
ATOM   866  C CD2 . PHE A 1 155 ? -17.11556 -16.87118 -24.55675 1.000 61.18462  ? 750 PHE A CD2 1 
ATOM   867  C CE1 . PHE A 1 155 ? -14.59963 -17.00466 -23.42129 1.000 64.17308  ? 750 PHE A CE1 1 
ATOM   868  C CE2 . PHE A 1 155 ? -16.92603 -17.56510 -23.38327 1.000 61.65156  ? 750 PHE A CE2 1 
ATOM   869  C CZ  . PHE A 1 155 ? -15.67343 -17.63471 -22.81371 1.000 64.24886  ? 750 PHE A CZ  1 
ATOM   870  N N   . LYS A 1 156 ? -15.36044 -18.57317 -27.67126 1.000 50.76178  ? 751 LYS A N   1 
ATOM   871  C CA  . LYS A 1 156 ? -15.78156 -19.96311 -27.69208 1.000 52.14848  ? 751 LYS A CA  1 
ATOM   872  C C   . LYS A 1 156 ? -15.66395 -20.50864 -26.27540 1.000 55.11026  ? 751 LYS A C   1 
ATOM   873  O O   . LYS A 1 156 ? -14.57084 -20.53216 -25.69938 1.000 54.39039  ? 751 LYS A O   1 
ATOM   874  C CB  . LYS A 1 156 ? -14.93010 -20.76277 -28.67646 1.000 53.17601  ? 751 LYS A CB  1 
ATOM   875  C CG  . LYS A 1 156 ? -15.33574 -20.52949 -30.14552 1.000 53.61470  ? 751 LYS A CG  1 
ATOM   876  C CD  . LYS A 1 156 ? -16.83178 -20.17249 -30.16574 1.000 53.58314  ? 751 LYS A CD  1 
ATOM   877  C CE  . LYS A 1 156 ? -17.42329 -20.15422 -31.54810 1.000 55.14916  ? 751 LYS A CE  1 
ATOM   878  N NZ  . LYS A 1 156 ? -17.48355 -21.50887 -32.10390 1.000 55.17209  ? 751 LYS A NZ  1 
ATOM   879  N N   . ALA A 1 157 ? -16.78228 -20.92733 -25.70581 1.000 53.92288  ? 752 ALA A N   1 
ATOM   880  C CA  . ALA A 1 157 ? -16.75835 -21.45021 -24.34922 1.000 57.01840  ? 752 ALA A CA  1 
ATOM   881  C C   . ALA A 1 157 ? -16.29578 -22.90568 -24.33977 1.000 56.88257  ? 752 ALA A C   1 
ATOM   882  O O   . ALA A 1 157 ? -16.76653 -23.72016 -25.13886 1.000 58.73970  ? 752 ALA A O   1 
ATOM   883  C CB  . ALA A 1 157 ? -18.14361 -21.32624 -23.71695 1.000 55.82223  ? 752 ALA A CB  1 
ATOM   884  N N   . THR A 1 158 ? -15.35437 -23.22498 -23.44914 1.000 55.50158  ? 753 THR A N   1 
ATOM   885  C CA  . THR A 1 158 ? -14.94931 -24.60038 -23.16300 1.000 57.66970  ? 753 THR A CA  1 
ATOM   886  C C   . THR A 1 158 ? -15.15147 -24.91193 -21.67957 1.000 60.14844  ? 753 THR A C   1 
ATOM   887  O O   . THR A 1 158 ? -15.06263 -24.02701 -20.81138 1.000 57.39818  ? 753 THR A O   1 
ATOM   888  C CB  . THR A 1 158 ? -13.47848 -24.86744 -23.53203 1.000 56.57409  ? 753 THR A CB  1 
ATOM   889  O OG1 . THR A 1 158 ? -12.63359 -24.24079 -22.56268 1.000 57.03868  ? 753 THR A OG1 1 
ATOM   890  C CG2 . THR A 1 158 ? -13.15741 -24.32247 -24.91238 1.000 53.94184  ? 753 THR A CG2 1 
ATOM   891  N N   . GLN A 1 159 ? -15.40295 -26.19002 -21.39786 1.000 74.35413  ? 754 GLN A N   1 
ATOM   892  C CA  . GLN A 1 159 ? -15.81656 -26.65403 -20.08066 1.000 74.37398  ? 754 GLN A CA  1 
ATOM   893  C C   . GLN A 1 159 ? -14.69819 -27.40631 -19.36413 1.000 75.25973  ? 754 GLN A C   1 
ATOM   894  O O   . GLN A 1 159 ? -13.79173 -27.96934 -19.98557 1.000 75.47822  ? 754 GLN A O   1 
ATOM   895  C CB  . GLN A 1 159 ? -17.05685 -27.54632 -20.19844 1.000 74.31295  ? 754 GLN A CB  1 
ATOM   896  C CG  . GLN A 1 159 ? -18.30151 -26.81161 -20.70708 1.000 75.49483  ? 754 GLN A CG  1 
ATOM   897  C CD  . GLN A 1 159 ? -18.24180 -26.48607 -22.19549 1.000 72.71280  ? 754 GLN A CD  1 
ATOM   898  O OE1 . GLN A 1 159 ? -18.06699 -27.37467 -23.03248 1.000 73.86122  ? 754 GLN A OE1 1 
ATOM   899  N NE2 . GLN A 1 159 ? -18.40434 -25.21164 -22.52839 1.000 70.22351  ? 754 GLN A NE2 1 
ATOM   900  N N   . ARG A 1 160 ? -14.77180 -27.39267 -18.03262 1.000 75.24042  ? 755 ARG A N   1 
ATOM   901  C CA  . ARG A 1 160 ? -13.89180 -28.16735 -17.17315 1.000 73.68350  ? 755 ARG A CA  1 
ATOM   902  C C   . ARG A 1 160 ? -14.45224 -29.57861 -16.97077 1.000 75.31815  ? 755 ARG A C   1 
ATOM   903  O O   . ARG A 1 160 ? -15.58957 -29.89046 -17.33972 1.000 73.02200  ? 755 ARG A O   1 
ATOM   904  C CB  . ARG A 1 160 ? -13.71265 -27.46219 -15.82847 1.000 74.13685  ? 755 ARG A CB  1 
ATOM   905  N N   . THR A 1 161 ? -13.63020 -30.44319 -16.38141 1.000 75.57721  ? 756 THR A N   1 
ATOM   906  C CA  . THR A 1 161 ? -14.05692 -31.76973 -15.94434 1.000 76.89714  ? 756 THR A CA  1 
ATOM   907  C C   . THR A 1 161 ? -13.71279 -31.87105 -14.46625 1.000 80.96997  ? 756 THR A C   1 
ATOM   908  O O   . THR A 1 161 ? -12.53096 -31.92158 -14.10758 1.000 80.68174  ? 756 THR A O   1 
ATOM   909  C CB  . THR A 1 161 ? -13.36590 -32.87082 -16.74582 1.000 73.79702  ? 756 THR A CB  1 
ATOM   910  O OG1 . THR A 1 161 ? -13.52404 -32.61412 -18.15092 1.000 72.83793  ? 756 THR A OG1 1 
ATOM   911  C CG2 . THR A 1 161 ? -13.95254 -34.23921 -16.39565 1.000 71.67544  ? 756 THR A CG2 1 
ATOM   912  N N   . GLU A 1 162 ? -14.73036 -31.87474 -13.60935 1.000 93.90344  ? 757 GLU A N   1 
ATOM   913  C CA  . GLU A 1 162 ? -14.47572 -31.83576 -12.17688 1.000 96.02471  ? 757 GLU A CA  1 
ATOM   914  C C   . GLU A 1 162 ? -13.83902 -33.14024 -11.70384 1.000 96.53211  ? 757 GLU A C   1 
ATOM   915  O O   . GLU A 1 162 ? -14.02462 -34.20373 -12.30237 1.000 96.46697  ? 757 GLU A O   1 
ATOM   916  C CB  . GLU A 1 162 ? -15.77167 -31.56909 -11.40494 1.000 96.62805  ? 757 GLU A CB  1 
ATOM   917  N N   . GLY A 1 163 ? -13.05388 -33.03832 -10.63110 1.000 86.00526  ? 758 GLY A N   1 
ATOM   918  C CA  . GLY A 1 163 ? -12.55259 -34.19959 -9.91792  1.000 86.67577  ? 758 GLY A CA  1 
ATOM   919  C C   . GLY A 1 163 ? -11.41339 -34.95906 -10.56495 1.000 85.45195  ? 758 GLY A C   1 
ATOM   920  O O   . GLY A 1 163 ? -11.03613 -36.02259 -10.06312 1.000 86.80867  ? 758 GLY A O   1 
ATOM   921  N N   . VAL A 1 164 ? -10.84214 -34.45168 -11.65248 1.000 90.38791  ? 759 VAL A N   1 
ATOM   922  C CA  . VAL A 1 164 ? -9.72217  -35.10582 -12.32025 1.000 88.13592  ? 759 VAL A CA  1 
ATOM   923  C C   . VAL A 1 164 ? -8.41285  -34.50249 -11.82890 1.000 87.91940  ? 759 VAL A C   1 
ATOM   924  O O   . VAL A 1 164 ? -7.33206  -34.85012 -12.32036 1.000 86.67285  ? 759 VAL A O   1 
ATOM   925  C CB  . VAL A 1 164 ? -9.86095  -34.97563 -13.84619 1.000 83.87673  ? 759 VAL A CB  1 
ATOM   926  C CG1 . VAL A 1 164 ? -11.13694 -35.66292 -14.30063 1.000 85.06592  ? 759 VAL A CG1 1 
ATOM   927  C CG2 . VAL A 1 164 ? -9.88674  -33.50574 -14.23966 1.000 82.75904  ? 759 VAL A CG2 1 
ATOM   928  N N   . SER A 1 165 ? -8.51052  -33.61014 -10.84591 1.000 73.36824  ? 760 SER A N   1 
ATOM   929  C CA  . SER A 1 165 ? -7.38683  -32.79071 -10.41817 1.000 73.91413  ? 760 SER A CA  1 
ATOM   930  C C   . SER A 1 165 ? -6.29914  -33.63050 -9.76380  1.000 75.08377  ? 760 SER A C   1 
ATOM   931  O O   . SER A 1 165 ? -6.56503  -34.62177 -9.07824  1.000 76.30395  ? 760 SER A O   1 
ATOM   932  C CB  . SER A 1 165 ? -7.86733  -31.71591 -9.43905  1.000 75.34517  ? 760 SER A CB  1 
ATOM   933  O OG  . SER A 1 165 ? -6.85158  -30.80133 -9.09327  1.000 73.79043  ? 760 SER A OG  1 
ATOM   934  N N   . THR A 1 166 ? -5.05520  -33.21701 -9.99011  1.000 93.48670  ? 761 THR A N   1 
ATOM   935  C CA  . THR A 1 166 ? -3.93698  -33.77643 -9.24159  1.000 94.55252  ? 761 THR A CA  1 
ATOM   936  C C   . THR A 1 166 ? -4.23230  -33.76417 -7.74714  1.000 94.52360  ? 761 THR A C   1 
ATOM   937  O O   . THR A 1 166 ? -4.12344  -34.78945 -7.06413  1.000 95.79257  ? 761 THR A O   1 
ATOM   938  C CB  . THR A 1 166 ? -2.66623  -32.98247 -9.55312  1.000 94.07411  ? 761 THR A CB  1 
ATOM   939  O OG1 . THR A 1 166 ? -2.22494  -33.28222 -10.88773 1.000 87.70078  ? 761 THR A OG1 1 
ATOM   940  C CG2 . THR A 1 166 ? -1.57259  -33.30670 -8.54414  1.000 92.43253  ? 761 THR A CG2 1 
ATOM   941  N N   . THR A 1 167 ? -4.60577  -32.59714 -7.22366  1.000 76.23838  ? 762 THR A N   1 
ATOM   942  C CA  . THR A 1 167 ? -5.10506  -32.48530 -5.85969  1.000 78.12393  ? 762 THR A CA  1 
ATOM   943  C C   . THR A 1 167 ? -6.00781  -33.64749 -5.49088  1.000 77.50643  ? 762 THR A C   1 
ATOM   944  O O   . THR A 1 167 ? -5.81078  -34.32723 -4.47673  1.000 79.06695  ? 762 THR A O   1 
ATOM   945  C CB  . THR A 1 167 ? -5.90449  -31.19156 -5.71628  1.000 82.50457  ? 762 THR A CB  1 
ATOM   946  O OG1 . THR A 1 167 ? -5.29923  -30.14812 -6.50356  1.000 78.00661  ? 762 THR A OG1 1 
ATOM   947  C CG2 . THR A 1 167 ? -6.01114  -30.80421 -4.23473  1.000 80.62491  ? 762 THR A CG2 1 
ATOM   948  N N   . ASP A 1 168 ? -7.04033  -33.84158 -6.31619  1.000 83.14074  ? 763 ASP A N   1 
ATOM   949  C CA  . ASP A 1 168 ? -8.09394  -34.80079 -6.02113  1.000 82.79494  ? 763 ASP A CA  1 
ATOM   950  C C   . ASP A 1 168 ? -7.54422  -36.21100 -5.94493  1.000 82.21530  ? 763 ASP A C   1 
ATOM   951  O O   . ASP A 1 168 ? -8.09410  -37.05911 -5.23122  1.000 84.64167  ? 763 ASP A O   1 
ATOM   952  C CB  . ASP A 1 168 ? -9.18540  -34.69114 -7.08598  1.000 82.53476  ? 763 ASP A CB  1 
ATOM   953  C CG  . ASP A 1 168 ? -9.61530  -33.25142 -7.32509  1.000 82.64743  ? 763 ASP A CG  1 
ATOM   954  O OD1 . ASP A 1 168 ? -9.43739  -32.41539 -6.41478  1.000 83.42243  ? 763 ASP A OD1 1 
ATOM   955  O OD2 . ASP A 1 168 ? -10.13549 -32.95122 -8.41745  1.000 80.79301  ? 763 ASP A OD2 1 
ATOM   956  N N   . LEU A 1 169 ? -6.44437  -36.47064 -6.65007  1.000 86.19539  ? 764 LEU A N   1 
ATOM   957  C CA  . LEU A 1 169 ? -5.86400  -37.80554 -6.64828  1.000 84.27927  ? 764 LEU A CA  1 
ATOM   958  C C   . LEU A 1 169 ? -4.98596  -38.03619 -5.42371  1.000 84.47583  ? 764 LEU A C   1 
ATOM   959  O O   . LEU A 1 169 ? -4.94949  -39.15142 -4.89344  1.000 86.58460  ? 764 LEU A O   1 
ATOM   960  C CB  . LEU A 1 169 ? -5.08181  -38.04117 -7.94422  1.000 83.41784  ? 764 LEU A CB  1 
ATOM   961  C CG  . LEU A 1 169 ? -5.90317  -38.03646 -9.24852  1.000 82.95701  ? 764 LEU A CG  1 
ATOM   962  C CD1 . LEU A 1 169 ? -5.10973  -38.60519 -10.42474 1.000 78.31240  ? 764 LEU A CD1 1 
ATOM   963  C CD2 . LEU A 1 169 ? -7.22817  -38.77052 -9.09736  1.000 82.46256  ? 764 LEU A CD2 1 
ATOM   964  N N   . ILE A 1 170 ? -4.28192  -37.00703 -4.94504  1.000 64.82076  ? 765 ILE A N   1 
ATOM   965  C CA  . ILE A 1 170 ? -3.58548  -37.15677 -3.66935  1.000 67.06129  ? 765 ILE A CA  1 
ATOM   966  C C   . ILE A 1 170 ? -4.59226  -37.44762 -2.56474  1.000 70.37837  ? 765 ILE A C   1 
ATOM   967  O O   . ILE A 1 170 ? -4.35857  -38.28763 -1.68569  1.000 69.83360  ? 765 ILE A O   1 
ATOM   968  C CB  . ILE A 1 170 ? -2.74071  -35.90838 -3.34416  1.000 65.08346  ? 765 ILE A CB  1 
ATOM   969  C CG1 . ILE A 1 170 ? -1.89496  -35.50307 -4.54734  1.000 64.50151  ? 765 ILE A CG1 1 
ATOM   970  C CG2 . ILE A 1 170 ? -1.83306  -36.18742 -2.16245  1.000 61.99196  ? 765 ILE A CG2 1 
ATOM   971  C CD1 . ILE A 1 170 ? -1.02866  -36.63597 -5.06175  1.000 60.05234  ? 765 ILE A CD1 1 
ATOM   972  N N   . VAL A 1 171 ? -5.72785  -36.74760 -2.59145  1.000 85.19213  ? 766 VAL A N   1 
ATOM   973  C CA  . VAL A 1 171 ? -6.82580  -37.06462 -1.68385  1.000 86.25192  ? 766 VAL A CA  1 
ATOM   974  C C   . VAL A 1 171 ? -7.15736  -38.54667 -1.77079  1.000 86.53868  ? 766 VAL A C   1 
ATOM   975  O O   . VAL A 1 171 ? -7.39551  -39.20829 -0.75520  1.000 87.17587  ? 766 VAL A O   1 
ATOM   976  C CB  . VAL A 1 171 ? -8.05008  -36.18920 -2.01607  1.000 87.29822  ? 766 VAL A CB  1 
ATOM   977  C CG1 . VAL A 1 171 ? -9.06217  -36.24170 -0.90190  1.000 88.80178  ? 766 VAL A CG1 1 
ATOM   978  C CG2 . VAL A 1 171 ? -7.62141  -34.75640 -2.30762  1.000 87.06161  ? 766 VAL A CG2 1 
ATOM   979  N N   . ARG A 1 172 ? -7.16478  -39.09373 -2.99042  1.000 91.93631  ? 767 ARG A N   1 
ATOM   980  C CA  . ARG A 1 172 ? -7.49065  -40.50351 -3.17469  1.000 90.59072  ? 767 ARG A CA  1 
ATOM   981  C C   . ARG A 1 172 ? -6.50019  -41.39610 -2.44112  1.000 90.05224  ? 767 ARG A C   1 
ATOM   982  O O   . ARG A 1 172 ? -6.88887  -42.23005 -1.61599  1.000 94.06681  ? 767 ARG A O   1 
ATOM   983  C CB  . ARG A 1 172 ? -7.52879  -40.84321 -4.66433  1.000 85.09049  ? 767 ARG A CB  1 
ATOM   984  C CG  . ARG A 1 172 ? -8.78153  -40.37275 -5.36451  1.000 87.35347  ? 767 ARG A CG  1 
ATOM   985  C CD  . ARG A 1 172 ? -9.42540  -41.50740 -6.15950  1.000 87.80651  ? 767 ARG A CD  1 
ATOM   986  N NE  . ARG A 1 172 ? -8.52182  -42.06523 -7.16120  1.000 77.84900  ? 767 ARG A NE  1 
ATOM   987  C CZ  . ARG A 1 172 ? -8.73002  -42.02210 -8.46879  1.000 77.71328  ? 767 ARG A CZ  1 
ATOM   988  N NH1 . ARG A 1 172 ? -9.81060  -41.45825 -8.97842  1.000 79.93462  ? 767 ARG A NH1 1 
ATOM   989  N NH2 . ARG A 1 172 ? -7.83381  -42.56515 -9.28685  1.000 72.59761  ? 767 ARG A NH2 1 
ATOM   990  N N   . ILE A 1 173 ? -5.20977  -41.24494 -2.74018  1.000 80.89547  ? 768 ILE A N   1 
ATOM   991  C CA  . ILE A 1 173 ? -4.19601  -42.01700 -2.02653  1.000 81.57909  ? 768 ILE A CA  1 
ATOM   992  C C   . ILE A 1 173 ? -4.24461  -41.71029 -0.53542  1.000 86.57361  ? 768 ILE A C   1 
ATOM   993  O O   . ILE A 1 173 ? -4.02723  -42.59332 0.30515   1.000 88.85276  ? 768 ILE A O   1 
ATOM   994  C CB  . ILE A 1 173 ? -2.80062  -41.74154 -2.61443  1.000 78.25829  ? 768 ILE A CB  1 
ATOM   995  C CG1 . ILE A 1 173 ? -1.75314  -41.63788 -1.49789  1.000 76.69921  ? 768 ILE A CG1 1 
ATOM   996  C CG2 . ILE A 1 173 ? -2.82872  -40.48846 -3.48316  1.000 78.98475  ? 768 ILE A CG2 1 
ATOM   997  C CD1 . ILE A 1 173 ? -1.43826  -42.96102 -0.81626  1.000 76.78823  ? 768 ILE A CD1 1 
ATOM   998  N N   . LEU A 1 174 ? -4.51300  -40.45463 -0.17736  1.000 89.73168  ? 769 LEU A N   1 
ATOM   999  C CA  . LEU A 1 174 ? -4.61670  -40.12916 1.23917   1.000 94.72913  ? 769 LEU A CA  1 
ATOM   1000 C C   . LEU A 1 174 ? -5.87488  -40.74643 1.84736   1.000 98.73894  ? 769 LEU A C   1 
ATOM   1001 O O   . LEU A 1 174 ? -5.82609  -41.31961 2.94386   1.000 96.29725  ? 769 LEU A O   1 
ATOM   1002 C CB  . LEU A 1 174 ? -4.58775  -38.61040 1.43457   1.000 92.68118  ? 769 LEU A CB  1 
ATOM   1003 N N   . LYS A 1 175 ? -7.00409  -40.67292 1.13170   1.000 108.41324 ? 770 LYS A N   1 
ATOM   1004 C CA  . LYS A 1 175 ? -8.28819  -41.15967 1.63244   1.000 110.60891 ? 770 LYS A CA  1 
ATOM   1005 C C   . LYS A 1 175 ? -8.34582  -42.67725 1.77499   1.000 111.03508 ? 770 LYS A C   1 
ATOM   1006 O O   . LYS A 1 175 ? -9.40219  -43.19880 2.15668   1.000 112.98844 ? 770 LYS A O   1 
ATOM   1007 C CB  . LYS A 1 175 ? -9.42173  -40.68175 0.72045   1.000 109.04099 ? 770 LYS A CB  1 
ATOM   1008 N N   . ASN A 1 176 ? -7.25551  -43.38926 1.49161   1.000 116.52291 ? 771 ASN A N   1 
ATOM   1009 C CA  . ASN A 1 176 ? -7.18975  -44.83545 1.70093   1.000 115.57821 ? 771 ASN A CA  1 
ATOM   1010 C C   . ASN A 1 176 ? -5.77298  -45.27373 2.07731   1.000 114.88771 ? 771 ASN A C   1 
ATOM   1011 O O   . ASN A 1 176 ? -5.13082  -44.67157 2.93989   1.000 118.32498 ? 771 ASN A O   1 
ATOM   1012 C CB  . ASN A 1 176 ? -7.66317  -45.58523 0.44957   1.000 114.18455 ? 771 ASN A CB  1 
HETATM 1013 C C5  . 0PY B 2 .   ? 2.20993   -17.99056 -31.71459 1.000 59.34561  ? 801 0PY A C5  1 
HETATM 1014 N N1  . 0PY B 2 .   ? 1.99778   -17.46117 -32.96267 1.000 64.93561  ? 801 0PY A N1  1 
HETATM 1015 C C4  . 0PY B 2 .   ? 3.48452   -17.99615 -31.08700 1.000 57.38561  ? 801 0PY A C4  1 
HETATM 1016 C C3  . 0PY B 2 .   ? 4.55190   -17.42814 -31.79301 1.000 60.16561  ? 801 0PY A C3  1 
HETATM 1017 C C2  . 0PY B 2 .   ? 4.37213   -16.86362 -33.05277 1.000 61.27561  ? 801 0PY A C2  1 
HETATM 1018 C C1  . 0PY B 2 .   ? 3.06502   -16.90457 -33.61288 1.000 65.95561  ? 801 0PY A C1  1 
HETATM 1019 C C5  . 0PY C 2 .   ? -5.62790  -15.20205 -17.31170 1.000 64.63561  ? 802 0PY A C5  1 
HETATM 1020 N N1  . 0PY C 2 .   ? -5.82349  -15.72045 -18.55133 1.000 66.14561  ? 802 0PY A N1  1 
HETATM 1021 C C4  . 0PY C 2 .   ? -5.83201  -15.94735 -16.12382 1.000 63.15561  ? 802 0PY A C4  1 
HETATM 1022 C C3  . 0PY C 2 .   ? -6.25616  -17.27336 -16.23626 1.000 59.76561  ? 802 0PY A C3  1 
HETATM 1023 C C2  . 0PY C 2 .   ? -6.47831  -17.83111 -17.48606 1.000 61.46561  ? 802 0PY A C2  1 
HETATM 1024 C C1  . 0PY C 2 .   ? -6.24512  -17.01367 -18.62627 1.000 65.41561  ? 802 0PY A C1  1 
HETATM 1025 H H5  . 0PY C 2 .   ? -5.30664  -14.18481 -17.28891 1.000 77.91561  ? 802 0PY A H5  1 
HETATM 1026 H H4  . 0PY C 2 .   ? -5.66033  -15.48808 -15.18065 1.000 76.13561  ? 802 0PY A H4  1 
HETATM 1027 H H3  . 0PY C 2 .   ? -6.40951  -17.85930 -15.34933 1.000 72.07561  ? 802 0PY A H3  1 
HETATM 1028 H H2  . 0PY C 2 .   ? -6.81293  -18.83712 -17.61491 1.000 74.11561  ? 802 0PY A H2  1 
HETATM 1029 H H1  . 0PY C 2 .   ? -6.39239  -17.38179 -19.61903 1.000 78.85561  ? 802 0PY A H1  1 
HETATM 1030 O O   . HOH D 3 .   ? -7.18312  -23.87129 -21.75780 1.000 50.66561  ? 901 HOH A O   1 
HETATM 1031 O O   . HOH D 3 .   ? 2.12117   -29.13809 -15.65153 1.000 52.41561  ? 902 HOH A O   1 
HETATM 1032 O O   . HOH D 3 .   ? -17.77602 -23.32011 -27.30244 1.000 58.09561  ? 903 HOH A O   1 
HETATM 1033 O O   . HOH D 3 .   ? 1.12109   -27.45268 -17.81539 1.000 48.21561  ? 904 HOH A O   1 
HETATM 1034 O O   . HOH D 3 .   ? -3.81417  -13.97932 -22.23894 1.000 54.75561  ? 905 HOH A O   1 
HETATM 1035 O O   . HOH D 3 .   ? -18.18647 -15.10633 -29.54415 1.000 48.43561  ? 906 HOH A O   1 
HETATM 1036 O O   . HOH D 3 .   ? 9.69079   -24.80876 -20.72482 1.000 47.98561  ? 907 HOH A O   1 
HETATM 1037 O O   . HOH D 3 .   ? -11.499   -36.722   -24.609   1.000 56.94561  ? 908 HOH A O   1 
HETATM 1038 O O   . HOH D 3 .   ? -10.50093 -12.55606 -37.84027 1.000 59.15561  ? 909 HOH A O   1 
HETATM 1039 O O   . HOH D 3 .   ? -3.15029  -9.39426  -24.21920 1.000 56.86561  ? 910 HOH A O   1 
HETATM 1040 O O   . HOH D 3 .   ? -16.60106 -29.00354 -32.24712 1.000 58.92561  ? 911 HOH A O   1 
HETATM 1041 O O   . HOH D 3 .   ? -2.45603  -30.49800 -32.97477 1.000 52.61561  ? 912 HOH A O   1 
HETATM 1042 O O   . HOH D 3 .   ? -6.25121  -36.61634 -14.22197 1.000 58.99561  ? 913 HOH A O   1 
HETATM 1043 O O   . HOH D 3 .   ? -9.10164  -37.55843 -31.69802 1.000 58.81561  ? 914 HOH A O   1 
HETATM 1044 O O   . HOH D 3 .   ? 2.81223   -11.66199 -25.97985 1.000 57.42561  ? 915 HOH A O   1 
HETATM 1045 O O   . HOH D 3 .   ? 10.53686  -32.28028 -22.56890 1.000 55.65561  ? 916 HOH A O   1 
HETATM 1046 O O   . HOH D 3 .   ? -12.75175 -32.91512 -24.76662 1.000 46.28561  ? 917 HOH A O   1 
HETATM 1047 O O   . HOH D 3 .   ? 13.92455  -31.25798 -19.61720 1.000 65.76561  ? 918 HOH A O   1 
HETATM 1048 O O   . HOH D 3 .   ? 2.26159   -9.11087  -26.79735 1.000 50.47561  ? 919 HOH A O   1 
HETATM 1049 O O   . HOH D 3 .   ? -7.13917  -29.07521 -37.13867 1.000 49.32561  ? 920 HOH A O   1 
HETATM 1050 O O   . HOH D 3 .   ? -9.30221  -29.69573 -35.43288 1.000 53.26561  ? 921 HOH A O   1 
HETATM 1051 O O   . HOH D 3 .   ? -19.53585 -20.56469 -27.35810 1.000 56.52561  ? 922 HOH A O   1 
HETATM 1052 O O   . HOH D 3 .   ? -1.17251  -7.70445  -24.85148 1.000 57.30561  ? 923 HOH A O   1 
HETATM 1053 O O   . HOH D 3 .   ? -0.74258  -31.34225 -35.02661 1.000 56.01561  ? 924 HOH A O   1 
HETATM 1054 O O   . HOH D 3 .   ? -8.81122  -31.62853 -34.91587 1.000 53.70561  ? 925 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  ? 1.05883 1.11077 0.86508 0.05023  -0.06768 0.07826  616 LYS A N   
2    C CA  . LYS A 39  ? 1.06672 1.11090 0.88677 0.04298  -0.07570 0.05135  616 LYS A CA  
3    C C   . LYS A 39  ? 1.02217 1.03664 0.86581 0.03593  -0.06235 0.04103  616 LYS A C   
4    O O   . LYS A 39  ? 1.01225 1.02008 0.87989 0.02981  -0.06629 0.02975  616 LYS A O   
5    C CB  . LYS A 39  ? 1.07188 1.12581 0.85824 0.04126  -0.08523 0.02625  616 LYS A CB  
6    C CG  . LYS A 39  ? 1.05858 1.11240 0.85809 0.03089  -0.10202 0.00486  616 LYS A CG  
7    C CD  . LYS A 39  ? 1.07818 1.16306 0.88951 0.03273  -0.11968 0.01792  616 LYS A CD  
8    C CE  . LYS A 39  ? 1.09530 1.18455 0.94295 0.02101  -0.13024 0.00885  616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.08461 1.20833 0.95383 0.02711  -0.14317 0.02755  616 LYS A NZ  
10   N N   . ASN A 40  ? 0.90399 0.90576 0.74165 0.03634  -0.04683 0.04674  617 ASN A N   
11   C CA  . ASN A 40  ? 0.89336 0.87078 0.74857 0.03009  -0.03558 0.03599  617 ASN A CA  
12   C C   . ASN A 40  ? 0.87021 0.83265 0.75777 0.02912  -0.03207 0.04811  617 ASN A C   
13   O O   . ASN A 40  ? 0.88824 0.84748 0.78050 0.03255  -0.02978 0.06955  617 ASN A O   
14   C CB  . ASN A 40  ? 0.86387 0.83947 0.70224 0.03130  -0.02168 0.03680  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.87401 0.82809 0.72783 0.02570  -0.01208 0.02454  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.85177 0.79381 0.72685 0.02171  -0.00555 0.03456  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.86937 0.81646 0.71110 0.02586  -0.01274 0.00271  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.72080 0.67280 0.62924 0.02465  -0.03185 0.03426  618 VAL A N   
19   C CA  . VAL A 41  ? 0.67901 0.61986 0.61564 0.02706  -0.02940 0.03940  618 VAL A CA  
20   C C   . VAL A 41  ? 0.66381 0.58298 0.60651 0.02187  -0.01707 0.03345  618 VAL A C   
21   O O   . VAL A 41  ? 0.65193 0.56817 0.58865 0.01562  -0.01279 0.01934  618 VAL A O   
22   C CB  . VAL A 41  ? 0.66887 0.62435 0.62476 0.02667  -0.03704 0.02975  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.62607 0.57630 0.60837 0.03471  -0.03374 0.03391  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.68120 0.66325 0.63029 0.02909  -0.05184 0.03351  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.63382 0.53576 0.58811 0.02447  -0.01313 0.04394  619 VAL A N   
26   C CA  . VAL A 42  ? 0.62123 0.50428 0.58118 0.01856  -0.00396 0.03832  619 VAL A CA  
27   C C   . VAL A 42  ? 0.58043 0.45573 0.55904 0.02213  -0.00296 0.02669  619 VAL A C   
28   O O   . VAL A 42  ? 0.57865 0.44750 0.56993 0.03180  -0.00699 0.03091  619 VAL A O   
29   C CB  . VAL A 42  ? 0.59628 0.46375 0.55612 0.01555  -0.00192 0.05552  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.55223 0.40379 0.51888 0.00755  0.00473  0.04817  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.62511 0.51041 0.56605 0.01291  -0.00049 0.06930  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.63022 0.50747 0.60951 0.01637  0.00266  0.01273  620 ILE A N   
33   C CA  . ILE A 43  ? 0.59523 0.47343 0.58877 0.01937  0.00566  0.00216  620 ILE A CA  
34   C C   . ILE A 43  ? 0.60618 0.46668 0.59833 0.01538  0.01213  -0.00341 620 ILE A C   
35   O O   . ILE A 43  ? 0.58477 0.44247 0.56709 0.00710  0.01561  -0.00331 620 ILE A O   
36   C CB  . ILE A 43  ? 0.59489 0.49258 0.59078 0.01364  0.00571  -0.00605 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.64943 0.56492 0.64381 0.01315  -0.00383 -0.00215 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.57372 0.48240 0.58536 0.01725  0.01038  -0.01280 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.64769 0.58062 0.65922 0.02365  -0.00945 0.00346  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.62411 0.47507 0.62548 0.02285  0.01307  -0.00960 621 TYR A N   
41   C CA  . TYR A 44  ? 0.65133 0.48494 0.65019 0.01943  0.01625  -0.01738 621 TYR A CA  
42   C C   . TYR A 44  ? 0.63414 0.48074 0.63622 0.02427  0.02173  -0.03091 621 TYR A C   
43   O O   . TYR A 44  ? 0.62287 0.47709 0.63354 0.03737  0.02200  -0.03591 621 TYR A O   
44   C CB  . TYR A 44  ? 0.62516 0.42887 0.62728 0.02401  0.01036  -0.01448 621 TYR A CB  
45   C CG  . TYR A 44  ? 0.65920 0.44435 0.65819 0.01875  0.01045  -0.02528 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.66510 0.45325 0.65867 0.00360  0.01227  -0.02239 621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.66709 0.43468 0.66768 0.03040  0.00808  -0.03999 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.63715 0.41279 0.62845 -0.00279 0.01016  -0.03229 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.69330 0.44393 0.68769 0.02474  0.00587  -0.05275 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.66640 0.42225 0.65686 0.00655  0.00623  -0.04807 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.68273 0.42626 0.66776 -0.00054 0.00189  -0.06051 621 TYR A OH  
52   N N   . ALA A 45  ? 0.59728 0.44997 0.59249 0.01541  0.02649  -0.03529 622 ALA A N   
53   C CA  . ALA A 45  ? 0.62190 0.49115 0.61720 0.01802  0.03253  -0.04434 622 ALA A CA  
54   C C   . ALA A 45  ? 0.63084 0.48823 0.61670 0.01485  0.03324  -0.05275 622 ALA A C   
55   O O   . ALA A 45  ? 0.63172 0.48819 0.61148 0.00460  0.03346  -0.04900 622 ALA A O   
56   C CB  . ALA A 45  ? 0.62234 0.51158 0.61781 0.00940  0.03569  -0.03884 622 ALA A CB  
57   N N   . ASP A 46  ? 0.67544 0.52480 0.65947 0.02494  0.03257  -0.06521 623 ASP A N   
58   C CA  . ASP A 46  ? 0.70050 0.53876 0.67359 0.02136  0.03041  -0.07606 623 ASP A CA  
59   C C   . ASP A 46  ? 0.71953 0.58406 0.68437 0.02697  0.03779  -0.08467 623 ASP A C   
60   O O   . ASP A 46  ? 0.72636 0.61586 0.69634 0.03580  0.04489  -0.08360 623 ASP A O   
61   C CB  . ASP A 46  ? 0.74734 0.55167 0.71929 0.02781  0.02177  -0.08710 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.76762 0.57184 0.74287 0.04925  0.02357  -0.09714 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.81209 0.64709 0.79547 0.05629  0.03116  -0.09080 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.75016 0.52480 0.72067 0.05964  0.01682  -0.11185 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.80185 0.66545 0.75455 0.02094  0.03577  -0.09118 624 GLY A N   
66   C CA  . GLY A 47  ? 0.76963 0.66045 0.71065 0.02546  0.04231  -0.09687 624 GLY A CA  
67   C C   . GLY A 47  ? 0.80272 0.69261 0.73140 0.01558  0.03717  -0.09944 624 GLY A C   
68   O O   . GLY A 47  ? 0.78823 0.66013 0.72082 0.00438  0.02923  -0.09585 624 GLY A O   
69   N N   . VAL A 48  ? 0.68250 0.59773 0.59682 0.02005  0.04185  -0.10400 625 VAL A N   
70   C CA  . VAL A 48  ? 0.68005 0.60150 0.58161 0.01198  0.03617  -0.10512 625 VAL A CA  
71   C C   . VAL A 48  ? 0.69207 0.62498 0.60070 0.00170  0.03858  -0.08322 625 VAL A C   
72   O O   . VAL A 48  ? 0.68116 0.61176 0.58955 -0.00669 0.03160  -0.07929 625 VAL A O   
73   C CB  . VAL A 48  ? 0.67588 0.62288 0.55555 0.02228  0.03979  -0.11734 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.69260 0.64635 0.55711 0.01432  0.03041  -0.12080 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.65152 0.58642 0.52286 0.03815  0.03885  -0.14160 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.67186 0.61740 0.58777 0.00270  0.04744  -0.06907 626 TYR A N   
77   C CA  . TYR A 49  ? 0.66955 0.61963 0.59016 -0.00460 0.04908  -0.04976 626 TYR A CA  
78   C C   . TYR A 49  ? 0.69739 0.66213 0.60524 -0.00643 0.04632  -0.04436 626 TYR A C   
79   O O   . TYR A 49  ? 0.69260 0.65283 0.60394 -0.01032 0.04284  -0.03326 626 TYR A O   
80   C CB  . TYR A 49  ? 0.66870 0.59661 0.60169 -0.00970 0.04491  -0.04483 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.65965 0.57618 0.60362 -0.00774 0.04642  -0.04723 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.66778 0.59088 0.61911 -0.00862 0.05087  -0.03846 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.64991 0.54939 0.59786 -0.00618 0.04173  -0.05658 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.63872 0.55657 0.60055 -0.00656 0.05051  -0.04007 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.63863 0.52958 0.59609 -0.00259 0.04216  -0.05644 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.63659 0.53926 0.60071 -0.00214 0.04653  -0.04866 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.63699 0.53618 0.61103 0.00150  0.04530  -0.04786 626 TYR A OH  
88   N N   . ASP A 50  ? 0.64693 0.63214 0.53864 -0.00123 0.04779  -0.05246 627 ASP A N   
89   C CA  . ASP A 50  ? 0.69727 0.70293 0.57407 -0.00184 0.04502  -0.04540 627 ASP A CA  
90   C C   . ASP A 50  ? 0.70310 0.72130 0.58171 -0.00409 0.05165  -0.02032 627 ASP A C   
91   O O   . ASP A 50  ? 0.67696 0.70454 0.56016 -0.00422 0.06047  -0.01263 627 ASP A O   
92   C CB  . ASP A 50  ? 0.70768 0.73440 0.56213 0.00588  0.04498  -0.06242 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.73655 0.78306 0.57302 0.00473  0.03722  -0.06048 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.73448 0.77439 0.57953 -0.00181 0.02932  -0.05112 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.77219 0.84492 0.58531 0.01192  0.03900  -0.06846 627 ASP A OD2 
96   N N   . MET A 51  ? 0.68188 0.70050 0.55873 -0.00615 0.04645  -0.00620 628 MET A N   
97   C CA  . MET A 51  ? 0.70697 0.73023 0.58394 -0.00812 0.04983  0.01935  628 MET A CA  
98   C C   . MET A 51  ? 0.70876 0.71399 0.60185 -0.01384 0.05531  0.02844  628 MET A C   
99   O O   . MET A 51  ? 0.69372 0.71282 0.58765 -0.01840 0.06196  0.04249  628 MET A O   
100  C CB  . MET A 51  ? 0.72672 0.78523 0.58434 -0.00580 0.05422  0.02810  628 MET A CB  
101  C CG  . MET A 51  ? 0.73202 0.80974 0.57110 -0.00091 0.04591  0.01999  628 MET A CG  
102  S SD  . MET A 51  ? 0.87229 0.99631 0.68375 0.00326  0.05183  0.03332  628 MET A SD  
103  C CE  . MET A 51  ? 0.74040 0.88281 0.54242 0.00960  0.06230  0.00800  628 MET A CE  
104  N N   . LEU A 52  ? 0.68123 0.65827 0.58731 -0.01463 0.05152  0.02141  629 LEU A N   
105  C CA  . LEU A 52  ? 0.67126 0.62918 0.59144 -0.02004 0.05345  0.02400  629 LEU A CA  
106  C C   . LEU A 52  ? 0.65439 0.60896 0.57804 -0.02786 0.05475  0.04602  629 LEU A C   
107  O O   . LEU A 52  ? 0.69478 0.63499 0.61492 -0.02713 0.05019  0.05998  629 LEU A O   
108  C CB  . LEU A 52  ? 0.66329 0.59325 0.59045 -0.01761 0.04778  0.01758  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.64182 0.55580 0.57982 -0.02089 0.04790  0.01036  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.63156 0.55457 0.57168 -0.01846 0.04968  -0.00516 629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.62265 0.51089 0.56251 -0.01739 0.04291  0.00902  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.77252 0.73869 0.70561 -0.03572 0.05980  0.05024  630 HIS A N   
113  C CA  . HIS A 53  ? 0.79641 0.76007 0.73703 -0.04838 0.05973  0.07341  630 HIS A CA  
114  C C   . HIS A 53  ? 0.75959 0.70795 0.71798 -0.05859 0.05654  0.07100  630 HIS A C   
115  O O   . HIS A 53  ? 0.75009 0.69373 0.71334 -0.05384 0.05560  0.05269  630 HIS A O   
116  C CB  . HIS A 53  ? 0.77891 0.78680 0.71504 -0.05183 0.06921  0.08852  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.81166 0.85565 0.74883 -0.04507 0.07831  0.07264  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.81477 0.87741 0.77025 -0.05154 0.08311  0.07454  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.81582 0.87987 0.73797 -0.03100 0.08232  0.05379  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.79364 0.88664 0.74536 -0.03857 0.09099  0.05786  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.81591 0.90662 0.74608 -0.02625 0.09019  0.04391  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.65713 0.59826 0.62545 -0.07425 0.05344  0.09155  631 LEU A N   
123  C CA  . LEU A 54  ? 0.64134 0.56743 0.62682 -0.08757 0.04687  0.09063  631 LEU A CA  
124  C C   . LEU A 54  ? 0.63743 0.60013 0.63560 -0.08663 0.05324  0.07974  631 LEU A C   
125  O O   . LEU A 54  ? 0.61060 0.56147 0.61912 -0.09030 0.04670  0.06950  631 LEU A O   
126  C CB  . LEU A 54  ? 0.63239 0.55189 0.62878 -0.10863 0.04225  0.11780  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.66481 0.56998 0.68086 -0.12803 0.03219  0.11963  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.63818 0.48772 0.64592 -0.12253 0.01866  0.10034  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.65198 0.55738 0.68187 -0.15320 0.02804  0.15134  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.63125 0.63892 0.62713 -0.07928 0.06533  0.08078  632 GLY A N   
131  C CA  . GLY A 55  ? 0.61574 0.65703 0.62274 -0.07248 0.07166  0.06875  632 GLY A CA  
132  C C   . GLY A 55  ? 0.63201 0.65084 0.63321 -0.05783 0.06778  0.04354  632 GLY A C   
133  O O   . GLY A 55  ? 0.61241 0.63724 0.62687 -0.05643 0.06574  0.03562  632 GLY A O   
134  N N   . HIS A 56  ? 0.71095 0.70730 0.69368 -0.04745 0.06623  0.03299  633 HIS A N   
135  C CA  . HIS A 56  ? 0.70216 0.67491 0.68085 -0.03757 0.06152  0.01393  633 HIS A CA  
136  C C   . HIS A 56  ? 0.71862 0.66163 0.70368 -0.04444 0.05221  0.01355  633 HIS A C   
137  O O   . HIS A 56  ? 0.71887 0.65723 0.70935 -0.04069 0.04912  0.00361  633 HIS A O   
138  C CB  . HIS A 56  ? 0.70001 0.65856 0.66171 -0.02969 0.06019  0.00686  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.72191 0.70520 0.67238 -0.02123 0.06620  0.00044  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.71547 0.71822 0.65509 -0.02253 0.07000  0.01180  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.72983 0.71880 0.67552 -0.01055 0.06762  -0.01731 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.72016 0.74312 0.64688 -0.01254 0.07379  -0.00074 633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.71821 0.72985 0.64849 -0.00510 0.07183  -0.01977 633 HIS A NE2 
144  N N   . MET A 57  ? 0.69244 0.61268 0.67418 -0.05262 0.04673  0.02354  634 MET A N   
145  C CA  . MET A 57  ? 0.67773 0.56568 0.65924 -0.05563 0.03696  0.01839  634 MET A CA  
146  C C   . MET A 57  ? 0.64642 0.54312 0.64339 -0.06637 0.03196  0.01896  634 MET A C   
147  O O   . MET A 57  ? 0.67348 0.55883 0.66957 -0.06347 0.02589  0.00807  634 MET A O   
148  C CB  . MET A 57  ? 0.68030 0.53777 0.65413 -0.05941 0.03110  0.02740  634 MET A CB  
149  C CG  . MET A 57  ? 0.69039 0.54967 0.65231 -0.04924 0.03575  0.03138  634 MET A CG  
150  S SD  . MET A 57  ? 0.72004 0.54441 0.67496 -0.05074 0.02852  0.04644  634 MET A SD  
151  C CE  . MET A 57  ? 0.75485 0.59989 0.69841 -0.03767 0.03465  0.05197  634 MET A CE  
152  N N   . LYS A 58  ? 0.61176 0.53434 0.62373 -0.07907 0.03425  0.03300  635 LYS A N   
153  C CA  . LYS A 58  ? 0.61996 0.55958 0.65103 -0.09034 0.02852  0.03470  635 LYS A CA  
154  C C   . LYS A 58  ? 0.62806 0.59082 0.66391 -0.07636 0.03243  0.02235  635 LYS A C   
155  O O   . LYS A 58  ? 0.63116 0.59055 0.67261 -0.07763 0.02385  0.01569  635 LYS A O   
156  C CB  . LYS A 58  ? 0.61201 0.58633 0.66227 -0.10699 0.03225  0.05543  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.64483 0.59114 0.69381 -0.12488 0.02520  0.07201  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.67053 0.65765 0.73291 -0.13722 0.03442  0.09698  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.67686 0.70640 0.76926 -0.15511 0.03254  0.10830  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.74264 0.73312 0.84345 -0.17598 0.01260  0.10768  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.70049 0.68421 0.73228 -0.06204 0.04394  0.01875  636 GLN A N   
162  C CA  . GLN A 59  ? 0.72000 0.71577 0.75399 -0.04597 0.04678  0.00643  636 GLN A CA  
163  C C   . GLN A 59  ? 0.71505 0.67684 0.73795 -0.04035 0.03889  -0.00452 636 GLN A C   
164  O O   . GLN A 59  ? 0.71350 0.67936 0.74362 -0.03693 0.03355  -0.00816 636 GLN A O   
165  C CB  . GLN A 59  ? 0.73688 0.74624 0.76140 -0.03153 0.05765  0.00049  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.77599 0.79562 0.80392 -0.01368 0.06032  -0.01198 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.81578 0.86574 0.84046 -0.00079 0.07160  -0.01640 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.76834 0.81934 0.77830 -0.00208 0.07632  -0.01548 636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.80741 0.88465 0.84446 0.01392  0.07570  -0.02163 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.63213 0.56524 0.63787 -0.03853 0.03832  -0.00801 637 LEU A N   
171  C CA  . LEU A 60  ? 0.63985 0.54844 0.63517 -0.03310 0.03286  -0.01583 637 LEU A CA  
172  C C   . LEU A 60  ? 0.63102 0.52977 0.62755 -0.04073 0.02257  -0.01607 637 LEU A C   
173  O O   . LEU A 60  ? 0.60566 0.50358 0.60065 -0.03591 0.01788  -0.02054 637 LEU A O   
174  C CB  . LEU A 60  ? 0.59642 0.48501 0.57665 -0.02993 0.03464  -0.01739 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.61228 0.50784 0.58830 -0.02295 0.04107  -0.02036 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.62195 0.50434 0.58677 -0.02129 0.04090  -0.01957 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.60960 0.50537 0.58802 -0.01538 0.04091  -0.02747 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.61082 0.50041 0.60883 -0.05317 0.01745  -0.01101 638 GLU A N   
179  C CA  . GLU A 61  ? 0.62989 0.50817 0.62838 -0.06247 0.00469  -0.01407 638 GLU A CA  
180  C C   . GLU A 61  ? 0.65209 0.56070 0.66749 -0.06490 0.00079  -0.01282 638 GLU A C   
181  O O   . GLU A 61  ? 0.63282 0.53743 0.64378 -0.06499 -0.00935 -0.01908 638 GLU A O   
182  C CB  . GLU A 61  ? 0.62994 0.49239 0.63235 -0.07921 -0.00221 -0.00686 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.64903 0.49335 0.64987 -0.09083 -0.01900 -0.01354 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.67091 0.50162 0.68306 -0.11338 -0.02887 -0.00359 638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.67336 0.52012 0.69905 -0.12155 -0.02107 0.01298  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.69387 0.49789 0.70076 -0.12403 -0.04556 -0.01193 638 GLU A OE2 
187  N N   . GLN A 62  ? 0.58123 0.52411 0.61541 -0.06507 0.00852  -0.00474 639 GLN A N   
188  C CA  . GLN A 62  ? 0.61797 0.59539 0.67174 -0.06453 0.00499  -0.00227 639 GLN A CA  
189  C C   . GLN A 62  ? 0.62693 0.60081 0.67290 -0.04697 0.00455  -0.00976 639 GLN A C   
190  O O   . GLN A 62  ? 0.60355 0.58329 0.65167 -0.04716 -0.00589 -0.01115 639 GLN A O   
191  C CB  . GLN A 62  ? 0.60434 0.62392 0.67885 -0.06342 0.01586  0.00725  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.61289 0.67596 0.71321 -0.06462 0.01166  0.01276  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.64496 0.75718 0.76489 -0.05726 0.02524  0.02079  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.62902 0.74626 0.74447 -0.05922 0.03616  0.02578  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.64826 0.80070 0.78907 -0.04636 0.02482  0.02233  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.59373 0.55656 0.62968 -0.03306 0.01424  -0.01354 640 ALA A N   
197  C CA  . ALA A 63  ? 0.61481 0.56773 0.64332 -0.01923 0.01297  -0.01732 640 ALA A CA  
198  C C   . ALA A 63  ? 0.61281 0.54561 0.62476 -0.02251 0.00385  -0.01982 640 ALA A C   
199  O O   . ALA A 63  ? 0.62470 0.56360 0.63609 -0.01725 -0.00300 -0.01827 640 ALA A O   
200  C CB  . ALA A 63  ? 0.58686 0.52426 0.60627 -0.00937 0.02212  -0.02124 640 ALA A CB  
201  N N   . LYS A 64  ? 0.58888 0.49936 0.58565 -0.02888 0.00366  -0.02360 641 LYS A N   
202  C CA  . LYS A 64  ? 0.58525 0.47879 0.56227 -0.02761 -0.00313 -0.02869 641 LYS A CA  
203  C C   . LYS A 64  ? 0.60658 0.51049 0.58517 -0.03379 -0.01675 -0.03072 641 LYS A C   
204  O O   . LYS A 64  ? 0.59445 0.49894 0.55942 -0.02778 -0.02256 -0.03259 641 LYS A O   
205  C CB  . LYS A 64  ? 0.55461 0.42367 0.51694 -0.03044 -0.00172 -0.03398 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.57367 0.42644 0.51361 -0.02722 -0.00943 -0.04310 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.58677 0.44380 0.51328 -0.01458 -0.00342 -0.04157 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.57740 0.42452 0.47828 -0.00730 -0.00776 -0.05124 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.63336 0.49788 0.52448 0.00139  -0.00477 -0.04487 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.68558 0.60141 0.68099 -0.04706 -0.02269 -0.02891 642 LYS A N   
211  C CA  . LYS A 65  ? 0.68004 0.60695 0.67971 -0.05773 -0.03874 -0.03140 642 LYS A CA  
212  C C   . LYS A 65  ? 0.70244 0.66887 0.72437 -0.05415 -0.04162 -0.02313 642 LYS A C   
213  O O   . LYS A 65  ? 0.65909 0.64627 0.69349 -0.06569 -0.05526 -0.02222 642 LYS A O   
214  C CB  . LYS A 65  ? 0.66900 0.58702 0.67794 -0.07823 -0.04630 -0.03162 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.69435 0.56701 0.67853 -0.08001 -0.04941 -0.04217 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.67954 0.53590 0.67442 -0.10104 -0.05755 -0.03895 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.72666 0.53140 0.69495 -0.09899 -0.06398 -0.05189 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.71023 0.48918 0.68862 -0.11934 -0.07229 -0.04573 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.62643 0.60306 0.65440 -0.03802 -0.03060 -0.01740 643 LEU A N   
220  C CA  . LEU A 66  ? 0.62760 0.63944 0.67646 -0.02959 -0.03372 -0.00980 643 LEU A CA  
221  C C   . LEU A 66  ? 0.61317 0.63332 0.65315 -0.02836 -0.04911 -0.00971 643 LEU A C   
222  O O   . LEU A 66  ? 0.60244 0.65797 0.66240 -0.02902 -0.05847 -0.00394 643 LEU A O   
223  C CB  . LEU A 66  ? 0.62305 0.63209 0.67503 -0.01005 -0.02139 -0.00632 643 LEU A CB  
224  C CG  . LEU A 66  ? 0.61668 0.63159 0.68057 -0.00882 -0.00790 -0.00706 643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.60564 0.61230 0.66969 0.01145  0.00098  -0.00799 643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.58301 0.64075 0.67419 -0.01711 -0.00906 -0.00140 643 LEU A CD2 
227  N N   . PHE A 67  ? 0.68041 0.67413 0.69056 -0.02569 -0.05191 -0.01531 644 PHE A N   
228  C CA  . PHE A 67  ? 0.69363 0.69618 0.68800 -0.02393 -0.06653 -0.01617 644 PHE A CA  
229  C C   . PHE A 67  ? 0.71667 0.69163 0.67933 -0.03063 -0.07176 -0.03036 644 PHE A C   
230  O O   . PHE A 67  ? 0.73259 0.68008 0.68531 -0.03166 -0.06183 -0.03643 644 PHE A O   
231  C CB  . PHE A 67  ? 0.69014 0.69632 0.67717 -0.00557 -0.06326 -0.00442 644 PHE A CB  
232  C CG  . PHE A 67  ? 0.70342 0.73047 0.71911 0.00630  -0.05972 0.00751  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.69130 0.75536 0.72550 0.00965  -0.07211 0.01453  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.68980 0.70020 0.71360 0.01572  -0.04505 0.01025  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.67282 0.75713 0.73367 0.02559  -0.06836 0.02449  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.65738 0.68268 0.70446 0.03058  -0.04223 0.01743  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.65824 0.72060 0.72424 0.03726  -0.05305 0.02476  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.70269 0.68668 0.64825 -0.03294 -0.08820 -0.03652 645 GLU A N   
239  C CA  . GLU A 68  ? 0.72680 0.68516 0.63927 -0.03674 -0.09585 -0.05461 645 GLU A CA  
240  C C   . GLU A 68  ? 0.73848 0.67493 0.62516 -0.02232 -0.08033 -0.05622 645 GLU A C   
241  O O   . GLU A 68  ? 0.74075 0.64880 0.61412 -0.02341 -0.07624 -0.06854 645 GLU A O   
242  C CB  . GLU A 68  ? 0.72091 0.69771 0.61444 -0.03751 -0.11610 -0.06121 645 GLU A CB  
243  N N   . ASN A 69  ? 0.81659 0.76717 0.69773 -0.00885 -0.07215 -0.04203 646 ASN A N   
244  C CA  . ASN A 69  ? 0.82596 0.76535 0.68714 0.00250  -0.05750 -0.03911 646 ASN A CA  
245  C C   . ASN A 69  ? 0.78952 0.72820 0.67363 0.00579  -0.04298 -0.02190 646 ASN A C   
246  O O   . ASN A 69  ? 0.78640 0.73922 0.68047 0.01094  -0.04369 -0.00590 646 ASN A O   
247  C CB  . ASN A 69  ? 0.85033 0.80730 0.68073 0.01311  -0.06169 -0.03570 646 ASN A CB  
248  C CG  . ASN A 69  ? 0.92305 0.87891 0.72571 0.01130  -0.07806 -0.05724 646 ASN A CG  
249  O OD1 . ASN A 69  ? 0.95303 0.93055 0.74748 0.01066  -0.09333 -0.05641 646 ASN A OD1 
250  N ND2 . ASN A 69  ? 0.91280 0.84148 0.69995 0.01122  -0.07677 -0.07775 646 ASN A ND2 
251  N N   . THR A 70  ? 0.70351 0.62363 0.59461 0.00355  -0.03145 -0.02561 647 THR A N   
252  C CA  . THR A 70  ? 0.69017 0.60593 0.59987 0.00533  -0.01954 -0.01374 647 THR A CA  
253  C C   . THR A 70  ? 0.72046 0.62671 0.61930 0.00863  -0.00742 -0.01242 647 THR A C   
254  O O   . THR A 70  ? 0.71009 0.61092 0.59090 0.01101  -0.00579 -0.02311 647 THR A O   
255  C CB  . THR A 70  ? 0.66541 0.57569 0.59937 -0.00153 -0.01729 -0.01764 647 THR A CB  
256  O OG1 . THR A 70  ? 0.63653 0.53052 0.56406 -0.00669 -0.01373 -0.02852 647 THR A OG1 
257  C CG2 . THR A 70  ? 0.66112 0.58895 0.61054 -0.00627 -0.02847 -0.01831 647 THR A CG2 
258  N N   . THR A 71  ? 0.65749 0.56168 0.56917 0.00920  0.00003  0.00036  648 THR A N   
259  C CA  . THR A 71  ? 0.65723 0.55379 0.57158 0.00764  0.01052  0.00177  648 THR A CA  
260  C C   . THR A 71  ? 0.62052 0.50583 0.55642 0.00345  0.01253  0.00020  648 THR A C   
261  O O   . THR A 71  ? 0.61584 0.49858 0.56407 0.00498  0.01009  0.00738  648 THR A O   
262  C CB  . THR A 71  ? 0.63642 0.54165 0.54639 0.00888  0.01558  0.01876  648 THR A CB  
263  O OG1 . THR A 71  ? 0.67280 0.59541 0.55933 0.01516  0.01490  0.02021  648 THR A OG1 
264  C CG2 . THR A 71  ? 0.60998 0.51313 0.52685 0.00478  0.02462  0.02105  648 THR A CG2 
265  N N   . LEU A 72  ? 0.60425 0.48289 0.54291 0.00027  0.01643  -0.00941 649 LEU A N   
266  C CA  . LEU A 72  ? 0.56558 0.43833 0.51994 -0.00253 0.01922  -0.01209 649 LEU A CA  
267  C C   . LEU A 72  ? 0.56675 0.43420 0.52307 -0.00450 0.02497  -0.00839 649 LEU A C   
268  O O   . LEU A 72  ? 0.56947 0.44007 0.51850 -0.00514 0.02896  -0.00887 649 LEU A O   
269  C CB  . LEU A 72  ? 0.53833 0.41015 0.49456 -0.00646 0.01919  -0.02088 649 LEU A CB  
270  C CG  . LEU A 72  ? 0.58680 0.45881 0.55457 -0.00829 0.02399  -0.02292 649 LEU A CG  
271  C CD1 . LEU A 72  ? 0.54639 0.42437 0.52712 -0.00368 0.02331  -0.02195 649 LEU A CD1 
272  C CD2 . LEU A 72  ? 0.55364 0.42699 0.52283 -0.01401 0.02413  -0.02613 649 LEU A CD2 
273  N N   . ILE A 73  ? 0.61753 0.47703 0.58410 -0.00482 0.02405  -0.00500 650 ILE A N   
274  C CA  . ILE A 73  ? 0.62226 0.47440 0.59297 -0.01005 0.02610  -0.00355 650 ILE A CA  
275  C C   . ILE A 73  ? 0.63220 0.47966 0.60800 -0.00933 0.02707  -0.01526 650 ILE A C   
276  O O   . ILE A 73  ? 0.63212 0.47724 0.61331 -0.00322 0.02567  -0.02049 650 ILE A O   
277  C CB  . ILE A 73  ? 0.62950 0.46917 0.60596 -0.01264 0.02190  0.00768  650 ILE A CB  
278  C CG1 . ILE A 73  ? 0.61540 0.46567 0.58474 -0.01197 0.02146  0.02253  650 ILE A CG1 
279  C CG2 . ILE A 73  ? 0.62840 0.46220 0.61001 -0.02257 0.02176  0.00929  650 ILE A CG2 
280  C CD1 . ILE A 73  ? 0.63307 0.47057 0.60862 -0.01666 0.01690  0.03982  650 ILE A CD1 
281  N N   . VAL A 74  ? 0.62055 0.47188 0.59410 -0.01379 0.02980  -0.01874 651 VAL A N   
282  C CA  . VAL A 74  ? 0.63678 0.48851 0.61079 -0.01312 0.03094  -0.02876 651 VAL A CA  
283  C C   . VAL A 74  ? 0.66167 0.50255 0.63812 -0.01842 0.02672  -0.03162 651 VAL A C   
284  O O   . VAL A 74  ? 0.65981 0.50296 0.63858 -0.02648 0.02508  -0.02385 651 VAL A O   
285  C CB  . VAL A 74  ? 0.63923 0.50298 0.60757 -0.01422 0.03482  -0.02926 651 VAL A CB  
286  C CG1 . VAL A 74  ? 0.61984 0.48904 0.58619 -0.01347 0.03635  -0.03650 651 VAL A CG1 
287  C CG2 . VAL A 74  ? 0.65490 0.52148 0.62075 -0.01201 0.03573  -0.02687 651 VAL A CG2 
288  N N   . GLY A 75  ? 0.58401 0.41430 0.56036 -0.01387 0.02424  -0.04301 652 GLY A N   
289  C CA  . GLY A 75  ? 0.55956 0.37361 0.53556 -0.01925 0.01720  -0.05071 652 GLY A CA  
290  C C   . GLY A 75  ? 0.59717 0.42413 0.56396 -0.01781 0.01872  -0.06283 652 GLY A C   
291  O O   . GLY A 75  ? 0.58851 0.42804 0.55026 -0.00823 0.02471  -0.06861 652 GLY A O   
292  N N   . VAL A 76  ? 0.67559 0.50434 0.64102 -0.02826 0.01301  -0.06438 653 VAL A N   
293  C CA  . VAL A 76  ? 0.69127 0.53618 0.64607 -0.02790 0.01266  -0.07357 653 VAL A CA  
294  C C   . VAL A 76  ? 0.72612 0.55192 0.67508 -0.03171 0.00127  -0.09050 653 VAL A C   
295  O O   . VAL A 76  ? 0.72656 0.53692 0.68420 -0.04536 -0.00878 -0.08777 653 VAL A O   
296  C CB  . VAL A 76  ? 0.67456 0.54293 0.63218 -0.03533 0.01375  -0.06138 653 VAL A CB  
297  C CG1 . VAL A 76  ? 0.69633 0.58422 0.64146 -0.03182 0.01441  -0.06704 653 VAL A CG1 
298  C CG2 . VAL A 76  ? 0.63475 0.51088 0.59726 -0.03112 0.02227  -0.04730 653 VAL A CG2 
299  N N   . THR A 77  ? 0.72283 0.55025 0.65671 -0.02021 0.00224  -0.10803 654 THR A N   
300  C CA  . THR A 77  ? 0.76101 0.56300 0.68521 -0.02020 -0.00992 -0.12956 654 THR A CA  
301  C C   . THR A 77  ? 0.76344 0.57447 0.68319 -0.03570 -0.02135 -0.13336 654 THR A C   
302  O O   . THR A 77  ? 0.75668 0.60055 0.67656 -0.04021 -0.01748 -0.12179 654 THR A O   
303  C CB  . THR A 77  ? 0.79419 0.59994 0.70063 0.00053  -0.00458 -0.14955 654 THR A CB  
304  O OG1 . THR A 77  ? 0.77278 0.61976 0.67145 0.00596  0.00748  -0.14210 654 THR A OG1 
305  C CG2 . THR A 77  ? 0.76543 0.55405 0.68057 0.01525  0.00079  -0.14949 654 THR A CG2 
306  N N   . SER A 78  ? 0.75932 0.53909 0.67633 -0.04415 -0.03739 -0.14932 655 SER A N   
307  C CA  . SER A 78  ? 0.77448 0.56200 0.68987 -0.06225 -0.05228 -0.15426 655 SER A CA  
308  C C   . SER A 78  ? 0.78926 0.59856 0.67770 -0.05189 -0.05355 -0.17400 655 SER A C   
309  O O   . SER A 78  ? 0.77156 0.57770 0.64095 -0.03146 -0.04641 -0.19039 655 SER A O   
310  C CB  . SER A 78  ? 0.80489 0.54669 0.72725 -0.07834 -0.07195 -0.16469 655 SER A CB  
311  O OG  . SER A 78  ? 0.82795 0.53513 0.72770 -0.06561 -0.08115 -0.19673 655 SER A OG  
312  N N   . ASP A 79  ? 0.97150 0.80902 0.85857 -0.06515 -0.06238 -0.17079 656 ASP A N   
313  C CA  . ASP A 79  ? 0.98867 0.85222 0.84778 -0.05611 -0.06478 -0.18673 656 ASP A CA  
314  C C   . ASP A 79  ? 1.00367 0.83435 0.83814 -0.04910 -0.07743 -0.22227 656 ASP A C   
315  O O   . ASP A 79  ? 1.02171 0.86276 0.82958 -0.02779 -0.06944 -0.23878 656 ASP A O   
316  C CB  . ASP A 79  ? 1.00331 0.90253 0.86696 -0.07220 -0.07581 -0.17686 656 ASP A CB  
317  C CG  . ASP A 79  ? 1.01984 0.95768 0.89749 -0.06877 -0.06113 -0.14616 656 ASP A CG  
318  O OD1 . ASP A 79  ? 0.99887 0.94239 0.87117 -0.05256 -0.04353 -0.13762 656 ASP A OD1 
319  O OD2 . ASP A 79  ? 1.02367 0.98612 0.91871 -0.08191 -0.06788 -0.13060 656 ASP A OD2 
320  N N   . ASN A 80  ? 0.89329 0.68370 0.73618 -0.06654 -0.09746 -0.23425 657 ASN A N   
321  C CA  . ASN A 80  ? 0.93040 0.68168 0.74759 -0.06044 -0.11377 -0.27200 657 ASN A CA  
322  C C   . ASN A 80  ? 0.94818 0.67447 0.75192 -0.03077 -0.10041 -0.28713 657 ASN A C   
323  O O   . ASN A 80  ? 0.99100 0.71522 0.76238 -0.00996 -0.10135 -0.31729 657 ASN A O   
324  C CB  . ASN A 80  ? 0.93942 0.64355 0.77357 -0.08801 -0.13896 -0.27773 657 ASN A CB  
325  N N   . GLU A 81  ? 1.00730 0.72028 0.83490 -0.02664 -0.08751 -0.26636 658 GLU A N   
326  C CA  . GLU A 81  ? 1.02240 0.71381 0.84288 0.00135  -0.07650 -0.27843 658 GLU A CA  
327  C C   . GLU A 81  ? 1.00303 0.74666 0.81047 0.02487  -0.05341 -0.27425 658 GLU A C   
328  O O   . GLU A 81  ? 1.03233 0.77470 0.82107 0.05167  -0.04659 -0.29552 658 GLU A O   
329  C CB  . GLU A 81  ? 0.99987 0.66206 0.85054 -0.00353 -0.07302 -0.25589 658 GLU A CB  
330  C CG  . GLU A 81  ? 1.01385 0.61442 0.87516 -0.02151 -0.09550 -0.26194 658 GLU A CG  
331  C CD  . GLU A 81  ? 0.95283 0.53643 0.84492 -0.03248 -0.09211 -0.23084 658 GLU A CD  
332  O OE1 . GLU A 81  ? 0.95377 0.57666 0.86341 -0.04498 -0.08126 -0.20154 658 GLU A OE1 
333  O OE2 . GLU A 81  ? 1.01272 0.54282 0.90980 -0.02714 -0.10087 -0.23580 658 GLU A OE2 
334  N N   . THR A 82  ? 0.94215 0.73209 0.76039 0.01607  -0.04103 -0.24603 659 THR A N   
335  C CA  . THR A 82  ? 0.92231 0.76103 0.72806 0.03374  -0.02166 -0.23994 659 THR A CA  
336  C C   . THR A 82  ? 0.97566 0.83527 0.74500 0.04566  -0.02539 -0.26573 659 THR A C   
337  O O   . THR A 82  ? 0.98697 0.86174 0.73763 0.07049  -0.01457 -0.28123 659 THR A O   
338  C CB  . THR A 82  ? 0.87624 0.75158 0.69806 0.02033  -0.01200 -0.20626 659 THR A CB  
339  O OG1 . THR A 82  ? 0.86984 0.72813 0.72068 0.01276  -0.00770 -0.18551 659 THR A OG1 
340  C CG2 . THR A 82  ? 0.89630 0.81864 0.70655 0.03479  0.00615  -0.19674 659 THR A CG2 
341  N N   . LYS A 83  ? 1.02678 0.89178 0.78507 0.02917  -0.04107 -0.27099 660 LYS A N   
342  C CA  . LYS A 83  ? 1.06694 0.95353 0.78651 0.03985  -0.04711 -0.29677 660 LYS A CA  
343  C C   . LYS A 83  ? 1.09171 0.94238 0.78752 0.06168  -0.05314 -0.33688 660 LYS A C   
344  O O   . LYS A 83  ? 1.10012 0.97806 0.76268 0.08521  -0.04576 -0.35715 660 LYS A O   
345  C CB  . LYS A 83  ? 1.04002 0.93004 0.75494 0.01622  -0.06883 -0.29925 660 LYS A CB  
346  N N   . LEU A 84  ? 1.16739 0.95697 0.87922 0.05605  -0.06612 -0.34790 661 LEU A N   
347  C CA  . LEU A 84  ? 1.17522 0.91837 0.86492 0.07746  -0.07581 -0.38800 661 LEU A CA  
348  C C   . LEU A 84  ? 1.16889 0.92280 0.85928 0.11084  -0.05343 -0.38896 661 LEU A C   
349  O O   . LEU A 84  ? 1.21951 0.96512 0.89158 0.13182  -0.05055 -0.40880 661 LEU A O   
350  C CB  . LEU A 84  ? 1.19642 0.86832 0.90747 0.05630  -0.09766 -0.39112 661 LEU A CB  
351  C CG  . LEU A 84  ? 1.30424 0.92904 0.99891 0.06189  -0.10973 -0.41742 661 LEU A CG  
352  C CD1 . LEU A 84  ? 1.36718 0.93644 1.08316 0.02825  -0.13405 -0.41355 661 LEU A CD1 
353  C CD2 . LEU A 84  ? 1.31625 0.92370 1.01205 0.09462  -0.09449 -0.42371 661 LEU A CD2 
354  N N   . PHE A 85  ? 1.14347 0.92300 0.86288 0.11076  -0.03473 -0.35607 662 PHE A N   
355  C CA  . PHE A 85  ? 1.13485 0.92646 0.86127 0.14027  -0.01606 -0.35558 662 PHE A CA  
356  C C   . PHE A 85  ? 1.10774 0.97541 0.83486 0.14875  0.00915  -0.33244 662 PHE A C   
357  O O   . PHE A 85  ? 1.11952 1.02125 0.82861 0.17793  0.02298  -0.34699 662 PHE A O   
358  C CB  . PHE A 85  ? 1.09802 0.84900 0.86122 0.13279  -0.01813 -0.33623 662 PHE A CB  
359  C CG  . PHE A 85  ? 1.10631 0.77913 0.86999 0.12784  -0.04190 -0.35693 662 PHE A CG  
360  C CD1 . PHE A 85  ? 1.17552 0.82205 0.92471 0.14713  -0.04490 -0.37924 662 PHE A CD1 
361  C CD2 . PHE A 85  ? 1.11687 0.75501 0.90451 0.09531  -0.05610 -0.33689 662 PHE A CD2 
362  C CE1 . PHE A 85  ? 1.22129 0.80020 0.97661 0.13576  -0.06417 -0.38688 662 PHE A CE1 
363  C CE2 . PHE A 85  ? 1.13796 0.70923 0.93079 0.08470  -0.07650 -0.34656 662 PHE A CE2 
364  C CZ  . PHE A 85  ? 1.19370 0.73620 0.97137 0.10344  -0.07956 -0.36913 662 PHE A CZ  
365  N N   . LYS A 86  ? 1.13552 1.03133 0.88332 0.12471  0.01551  -0.29630 663 LYS A N   
366  C CA  . LYS A 86  ? 1.10676 1.06862 0.85579 0.12866  0.03663  -0.27214 663 LYS A CA  
367  C C   . LYS A 86  ? 1.14238 1.14388 0.85720 0.12942  0.03681  -0.27916 663 LYS A C   
368  O O   . LYS A 86  ? 1.16743 1.21370 0.85981 0.15143  0.05043  -0.28793 663 LYS A O   
369  C CB  . LYS A 86  ? 1.05682 1.02547 0.83885 0.10462  0.04131  -0.23309 663 LYS A CB  
370  N N   . GLY A 87  ? 1.16111 1.15080 0.87104 0.10689  0.02151  -0.27527 664 GLY A N   
371  C CA  . GLY A 87  ? 1.14521 1.17249 0.82342 0.10554  0.01852  -0.27901 664 GLY A CA  
372  C C   . GLY A 87  ? 1.16474 1.19764 0.85767 0.07809  0.01049  -0.25089 664 GLY A C   
373  O O   . GLY A 87  ? 1.15983 1.16307 0.88429 0.06084  0.00545  -0.23487 664 GLY A O   
374  N N   . GLN A 88  ? 1.26262 1.33766 0.93087 0.07677  0.00979  -0.24468 665 GLN A N   
375  C CA  . GLN A 88  ? 1.23685 1.32380 0.91575 0.05570  0.00174  -0.21847 665 GLN A CA  
376  C C   . GLN A 88  ? 1.19252 1.26812 0.91161 0.04319  0.01054  -0.18477 665 GLN A C   
377  O O   . GLN A 88  ? 1.18352 1.26903 0.91553 0.05024  0.02792  -0.16955 665 GLN A O   
378  C CB  . GLN A 88  ? 1.20729 1.35159 0.85800 0.06146  0.00813  -0.20412 665 GLN A CB  
379  N N   . VAL A 89  ? 0.91951 0.97618 0.65848 0.02482  -0.00232 -0.17450 666 VAL A N   
380  C CA  . VAL A 89  ? 0.89231 0.94423 0.66293 0.01449  0.00438  -0.14297 666 VAL A CA  
381  C C   . VAL A 89  ? 0.86930 0.94884 0.63783 0.00675  -0.00137 -0.12155 666 VAL A C   
382  O O   . VAL A 89  ? 0.90637 0.99730 0.66016 0.00216  -0.01668 -0.13283 666 VAL A O   
383  C CB  . VAL A 89  ? 0.87809 0.88773 0.67670 0.00317  -0.00317 -0.14637 666 VAL A CB  
384  C CG1 . VAL A 89  ? 0.87441 0.88038 0.67774 -0.01252 -0.02198 -0.14946 666 VAL A CG1 
385  C CG2 . VAL A 89  ? 0.82781 0.83239 0.65287 0.00003  0.00847  -0.11991 666 VAL A CG2 
386  N N   . VAL A 90  ? 0.81300 0.90195 0.59645 0.00575  0.00924  -0.09107 667 VAL A N   
387  C CA  . VAL A 90  ? 0.80518 0.91816 0.58733 0.00281  0.00505  -0.06726 667 VAL A CA  
388  C C   . VAL A 90  ? 0.79933 0.89708 0.60717 -0.00681 -0.00459 -0.05950 667 VAL A C   
389  O O   . VAL A 90  ? 0.81204 0.92801 0.61790 -0.01094 -0.01774 -0.05776 667 VAL A O   
390  C CB  . VAL A 90  ? 0.81202 0.93808 0.59624 0.00723  0.01995  -0.03746 667 VAL A CB  
391  C CG1 . VAL A 90  ? 0.80095 0.94404 0.58508 0.00652  0.01448  -0.01083 667 VAL A CG1 
392  C CG2 . VAL A 90  ? 0.79016 0.94286 0.55108 0.01610  0.03126  -0.04128 667 VAL A CG2 
393  N N   . GLN A 91  ? 0.78502 0.85501 0.61717 -0.00959 0.00205  -0.05376 668 GLN A N   
394  C CA  . GLN A 91  ? 0.78092 0.84041 0.63733 -0.01663 -0.00424 -0.04681 668 GLN A CA  
395  C C   . GLN A 91  ? 0.78757 0.82845 0.65223 -0.02679 -0.01384 -0.06828 668 GLN A C   
396  O O   . GLN A 91  ? 0.78242 0.80397 0.63891 -0.02564 -0.01238 -0.08717 668 GLN A O   
397  C CB  . GLN A 91  ? 0.77248 0.81258 0.64695 -0.01361 0.00705  -0.03023 668 GLN A CB  
398  C CG  . GLN A 91  ? 0.77480 0.82335 0.64280 -0.00626 0.01478  -0.00813 668 GLN A CG  
399  C CD  . GLN A 91  ? 0.79257 0.81581 0.67659 -0.00476 0.02264  0.00387  668 GLN A CD  
400  O OE1 . GLN A 91  ? 0.77078 0.77961 0.65710 -0.00628 0.03052  0.00077  668 GLN A OE1 
401  N NE2 . GLN A 91  ? 0.81656 0.83580 0.71166 -0.00052 0.01967  0.01631  668 GLN A NE2 
402  N N   . THR A 92  ? 0.62500 0.67309 0.50714 -0.03641 -0.02415 -0.06384 669 THR A N   
403  C CA  . THR A 92  ? 0.65112 0.68047 0.54628 -0.05040 -0.03415 -0.07793 669 THR A CA  
404  C C   . THR A 92  ? 0.62575 0.62675 0.53884 -0.05072 -0.02405 -0.07248 669 THR A C   
405  O O   . THR A 92  ? 0.62265 0.62022 0.53899 -0.04091 -0.01086 -0.05939 669 THR A O   
406  C CB  . THR A 92  ? 0.66023 0.71534 0.57261 -0.06321 -0.04805 -0.07082 669 THR A CB  
407  O OG1 . THR A 92  ? 0.58785 0.65620 0.52166 -0.05827 -0.03924 -0.04778 669 THR A OG1 
408  C CG2 . THR A 92  ? 0.65051 0.74048 0.54511 -0.06214 -0.05995 -0.07360 669 THR A CG2 
409  N N   . LEU A 93  ? 0.68764 0.66681 0.61186 -0.06325 -0.03203 -0.08206 670 LEU A N   
410  C CA  . LEU A 93  ? 0.68976 0.64657 0.63087 -0.06455 -0.02409 -0.07387 670 LEU A CA  
411  C C   . LEU A 93  ? 0.66375 0.64195 0.62076 -0.06105 -0.01569 -0.05151 670 LEU A C   
412  O O   . LEU A 93  ? 0.64556 0.61433 0.60321 -0.05096 -0.00361 -0.04382 670 LEU A O   
413  C CB  . LEU A 93  ? 0.68997 0.62368 0.64360 -0.08177 -0.03634 -0.08110 670 LEU A CB  
414  C CG  . LEU A 93  ? 0.66842 0.57776 0.63661 -0.08336 -0.02947 -0.07165 670 LEU A CG  
415  C CD1 . LEU A 93  ? 0.64041 0.53054 0.59672 -0.06605 -0.01728 -0.07676 670 LEU A CD1 
416  C CD2 . LEU A 93  ? 0.62041 0.50035 0.59908 -0.10100 -0.04307 -0.07699 670 LEU A CD2 
417  N N   . GLU A 94  ? 0.79651 0.80556 0.76605 -0.06801 -0.02280 -0.04207 671 GLU A N   
418  C CA  . GLU A 94  ? 0.78632 0.81849 0.77144 -0.06110 -0.01490 -0.02273 671 GLU A CA  
419  C C   . GLU A 94  ? 0.76010 0.79166 0.73285 -0.04158 -0.00419 -0.01602 671 GLU A C   
420  O O   . GLU A 94  ? 0.76005 0.78390 0.73693 -0.03188 0.00580  -0.00782 671 GLU A O   
421  C CB  . GLU A 94  ? 0.77480 0.84871 0.77668 -0.06971 -0.02512 -0.01395 671 GLU A CB  
422  C CG  . GLU A 94  ? 0.82843 0.90397 0.84650 -0.09486 -0.03899 -0.01812 671 GLU A CG  
423  C CD  . GLU A 94  ? 0.85672 0.90512 0.85756 -0.10636 -0.05340 -0.04117 671 GLU A CD  
424  O OE1 . GLU A 94  ? 0.82880 0.87228 0.80503 -0.09477 -0.05324 -0.05308 671 GLU A OE1 
425  O OE2 . GLU A 94  ? 0.85407 0.88530 0.86527 -0.12676 -0.06523 -0.04721 671 GLU A OE2 
426  N N   . GLU A 95  ? 0.63727 0.67577 0.59348 -0.03632 -0.00715 -0.01900 672 GLU A N   
427  C CA  . GLU A 95  ? 0.65860 0.69238 0.60409 -0.02116 0.00159  -0.00933 672 GLU A CA  
428  C C   . GLU A 95  ? 0.63807 0.64018 0.57713 -0.01849 0.01146  -0.01374 672 GLU A C   
429  O O   . GLU A 95  ? 0.61908 0.60899 0.55969 -0.00996 0.01873  -0.00475 672 GLU A O   
430  C CB  . GLU A 95  ? 0.65316 0.70461 0.58130 -0.01797 -0.00362 -0.00823 672 GLU A CB  
431  C CG  . GLU A 95  ? 0.67585 0.76376 0.61022 -0.01874 -0.01486 -0.00147 672 GLU A CG  
432  C CD  . GLU A 95  ? 0.70385 0.81104 0.61661 -0.01771 -0.02226 -0.00346 672 GLU A CD  
433  O OE1 . GLU A 95  ? 0.71953 0.81277 0.61289 -0.01780 -0.01798 -0.01310 672 GLU A OE1 
434  O OE2 . GLU A 95  ? 0.72941 0.86997 0.64414 -0.01554 -0.03206 0.00521  672 GLU A OE2 
435  N N   . ARG A 96  ? 0.69849 0.68695 0.63056 -0.02483 0.01062  -0.02835 673 ARG A N   
436  C CA  . ARG A 96  ? 0.67612 0.64194 0.60567 -0.02155 0.01934  -0.03133 673 ARG A CA  
437  C C   . ARG A 96  ? 0.68223 0.63323 0.62555 -0.02179 0.02315  -0.02667 673 ARG A C   
438  O O   . ARG A 96  ? 0.64585 0.58376 0.58891 -0.01688 0.02970  -0.02246 673 ARG A O   
439  C CB  . ARG A 96  ? 0.67784 0.63404 0.59899 -0.02420 0.01742  -0.04889 673 ARG A CB  
440  C CG  . ARG A 96  ? 0.71319 0.68715 0.61521 -0.02096 0.01522  -0.05580 673 ARG A CG  
441  C CD  . ARG A 96  ? 0.71214 0.67585 0.60298 -0.01803 0.01473  -0.07647 673 ARG A CD  
442  N NE  . ARG A 96  ? 0.75507 0.70854 0.64382 -0.02569 0.00121  -0.09365 673 ARG A NE  
443  C CZ  . ARG A 96  ? 0.76087 0.68510 0.65536 -0.02841 -0.00333 -0.10697 673 ARG A CZ  
444  N NH1 . ARG A 96  ? 0.72035 0.62721 0.62217 -0.02168 0.00512  -0.10575 673 ARG A NH1 
445  N NH2 . ARG A 96  ? 0.74457 0.65584 0.63820 -0.03884 -0.01834 -0.12081 673 ARG A NH2 
446  N N   . THR A 97  ? 0.60264 0.55853 0.55783 -0.02861 0.01844  -0.02632 674 THR A N   
447  C CA  . THR A 97  ? 0.59526 0.54295 0.56083 -0.02849 0.02272  -0.02072 674 THR A CA  
448  C C   . THR A 97  ? 0.62414 0.58211 0.59188 -0.01745 0.02796  -0.00973 674 THR A C   
449  O O   . THR A 97  ? 0.59631 0.54137 0.56268 -0.01147 0.03345  -0.00812 674 THR A O   
450  C CB  . THR A 97  ? 0.61626 0.56948 0.59500 -0.04129 0.01647  -0.02003 674 THR A CB  
451  O OG1 . THR A 97  ? 0.58791 0.52174 0.56291 -0.04983 0.00947  -0.03290 674 THR A OG1 
452  C CG2 . THR A 97  ? 0.57942 0.52932 0.56629 -0.04065 0.02213  -0.01138 674 THR A CG2 
453  N N   . GLU A 98  ? 0.70743 0.68812 0.67747 -0.01276 0.02530  -0.00320 675 GLU A N   
454  C CA  . GLU A 98  ? 0.70802 0.69482 0.67941 0.00237  0.02991  0.00547  675 GLU A CA  
455  C C   . GLU A 98  ? 0.70001 0.65777 0.65878 0.01102  0.03366  0.00485  675 GLU A C   
456  O O   . GLU A 98  ? 0.70351 0.64806 0.65992 0.02090  0.03746  0.00511  675 GLU A O   
457  C CB  . GLU A 98  ? 0.69241 0.70989 0.66951 0.00885  0.02540  0.01390  675 GLU A CB  
458  C CG  . GLU A 98  ? 0.71912 0.75104 0.70304 0.02713  0.03025  0.02184  675 GLU A CG  
459  C CD  . GLU A 98  ? 0.74840 0.82294 0.74543 0.03336  0.02551  0.03166  675 GLU A CD  
460  O OE1 . GLU A 98  ? 0.75147 0.84015 0.74849 0.02400  0.01694  0.03265  675 GLU A OE1 
461  O OE2 . GLU A 98  ? 0.80075 0.89880 0.80782 0.04885  0.03008  0.03793  675 GLU A OE2 
462  N N   . THR A 99  ? 0.70097 0.64999 0.65107 0.00678  0.03206  0.00413  676 THR A N   
463  C CA  . THR A 99  ? 0.70672 0.63084 0.64881 0.01032  0.03456  0.00703  676 THR A CA  
464  C C   . THR A 99  ? 0.67166 0.57596 0.61467 0.00711  0.03752  -0.00021 676 THR A C   
465  O O   . THR A 99  ? 0.67239 0.55718 0.61216 0.01342  0.03786  0.00022  676 THR A O   
466  C CB  . THR A 99  ? 0.69412 0.62184 0.62850 0.00411  0.03409  0.00997  676 THR A CB  
467  O OG1 . THR A 99  ? 0.69161 0.64359 0.62307 0.00598  0.02977  0.01467  676 THR A OG1 
468  C CG2 . THR A 99  ? 0.72722 0.63485 0.65684 0.00589  0.03514  0.02023  676 THR A CG2 
469  N N   . LEU A 100 ? 0.66642 0.57399 0.61292 -0.00162 0.03810  -0.00764 677 LEU A N   
470  C CA  . LEU A 100 ? 0.67276 0.56543 0.62043 -0.00391 0.03973  -0.01261 677 LEU A CA  
471  C C   . LEU A 100 ? 0.65121 0.53921 0.59801 0.00350  0.04071  -0.01238 677 LEU A C   
472  O O   . LEU A 100 ? 0.66495 0.53722 0.60740 0.00482  0.04034  -0.01562 677 LEU A O   
473  C CB  . LEU A 100 ? 0.67543 0.57145 0.62795 -0.01102 0.03908  -0.01896 677 LEU A CB  
474  C CG  . LEU A 100 ? 0.67046 0.56613 0.62094 -0.01400 0.03982  -0.02369 677 LEU A CG  
475  C CD1 . LEU A 100 ? 0.69022 0.58520 0.64357 -0.01727 0.03720  -0.03242 677 LEU A CD1 
476  C CD2 . LEU A 100 ? 0.64585 0.53283 0.59795 -0.01413 0.04178  -0.02272 677 LEU A CD2 
477  N N   . LYS A 101 ? 0.65171 0.55733 0.60218 0.00894  0.04170  -0.00887 678 LYS A N   
478  C CA  . LYS A 101 ? 0.68210 0.59016 0.62960 0.01894  0.04471  -0.00918 678 LYS A CA  
479  C C   . LYS A 101 ? 0.68232 0.56902 0.61852 0.03218  0.04381  -0.01250 678 LYS A C   
480  O O   . LYS A 101 ? 0.67408 0.55567 0.60182 0.04201  0.04532  -0.01780 678 LYS A O   
481  C CB  . LYS A 101 ? 0.69337 0.63423 0.65047 0.02248  0.04734  -0.00241 678 LYS A CB  
482  C CG  . LYS A 101 ? 0.70311 0.65801 0.66184 0.03634  0.04747  0.00200  678 LYS A CG  
483  C CD  . LYS A 101 ? 0.71663 0.70898 0.68459 0.04554  0.05256  0.00830  678 LYS A CD  
484  C CE  . LYS A 101 ? 0.66929 0.68443 0.64387 0.06042  0.05177  0.01448  678 LYS A CE  
485  N NZ  . LYS A 101 ? 0.72025 0.77091 0.70067 0.07863  0.05913  0.01866  678 LYS A NZ  
486  N N   . HIS A 102 ? 0.68006 0.55202 0.61419 0.03237  0.04049  -0.00951 679 HIS A N   
487  C CA  . HIS A 102 ? 0.67437 0.51614 0.59863 0.04209  0.03683  -0.01151 679 HIS A CA  
488  C C   . HIS A 102 ? 0.66671 0.48114 0.58691 0.03056  0.03229  -0.01579 679 HIS A C   
489  O O   . HIS A 102 ? 0.71545 0.49895 0.62864 0.03376  0.02648  -0.01704 679 HIS A O   
490  C CB  . HIS A 102 ? 0.70459 0.54380 0.62995 0.04764  0.03435  -0.00122 679 HIS A CB  
491  C CG  . HIS A 102 ? 0.72224 0.58766 0.65203 0.06351  0.03672  0.00280  679 HIS A CG  
492  N ND1 . HIS A 102 ? 0.72725 0.63034 0.66799 0.05749  0.03835  0.00841  679 HIS A ND1 
493  C CD2 . HIS A 102 ? 0.71159 0.57411 0.63751 0.08592  0.03719  0.00119  679 HIS A CD2 
494  C CE1 . HIS A 102 ? 0.72096 0.64819 0.66741 0.07340  0.03969  0.01259  679 HIS A CE1 
495  N NE2 . HIS A 102 ? 0.73118 0.63593 0.66874 0.09288  0.04015  0.00830  679 HIS A NE2 
496  N N   . ILE A 103 ? 0.66458 0.48900 0.59039 0.01731  0.03349  -0.01758 680 ILE A N   
497  C CA  . ILE A 103 ? 0.64412 0.45261 0.57080 0.00566  0.02892  -0.01953 680 ILE A CA  
498  C C   . ILE A 103 ? 0.67973 0.47941 0.59864 0.00867  0.02560  -0.03011 680 ILE A C   
499  O O   . ILE A 103 ? 0.64275 0.45982 0.56051 0.01294  0.02951  -0.03273 680 ILE A O   
500  C CB  . ILE A 103 ? 0.65044 0.47845 0.58788 -0.00637 0.03199  -0.01570 680 ILE A CB  
501  C CG1 . ILE A 103 ? 0.64608 0.48404 0.58614 -0.00909 0.03450  -0.00621 680 ILE A CG1 
502  C CG2 . ILE A 103 ? 0.66098 0.48382 0.60343 -0.01678 0.02796  -0.01733 680 ILE A CG2 
503  C CD1 . ILE A 103 ? 0.65039 0.46828 0.58646 -0.00866 0.03054  0.00311  680 ILE A CD1 
504  N N   . ARG A 104 ? 0.72954 0.50190 0.64231 0.00534  0.01710  -0.03519 681 ARG A N   
505  C CA  . ARG A 104 ? 0.73905 0.50044 0.63946 0.00907  0.01110  -0.04789 681 ARG A CA  
506  C C   . ARG A 104 ? 0.74065 0.52631 0.64653 0.00255  0.01274  -0.04783 681 ARG A C   
507  O O   . ARG A 104 ? 0.74353 0.53665 0.63805 0.01052  0.01287  -0.05424 681 ARG A O   
508  C CB  . ARG A 104 ? 0.75635 0.48316 0.65302 -0.00029 -0.00182 -0.05296 681 ARG A CB  
509  C CG  . ARG A 104 ? 0.77365 0.48619 0.65351 0.00340  -0.01127 -0.06960 681 ARG A CG  
510  C CD  . ARG A 104 ? 0.81208 0.48946 0.69137 -0.01187 -0.02776 -0.07501 681 ARG A CD  
511  N NE  . ARG A 104 ? 0.85704 0.49932 0.73776 -0.01302 -0.03192 -0.06931 681 ARG A NE  
512  C CZ  . ARG A 104 ? 0.87845 0.48546 0.74122 0.00542  -0.03554 -0.07961 681 ARG A CZ  
513  N NH1 . ARG A 104 ? 0.84098 0.44625 0.68138 0.02722  -0.03460 -0.09827 681 ARG A NH1 
514  N NH2 . ARG A 104 ? 0.87645 0.45142 0.74339 0.00396  -0.03962 -0.06974 681 ARG A NH2 
515  N N   . TRP A 105 ? 0.59759 0.39711 0.51982 -0.00998 0.01406  -0.03988 682 TRP A N   
516  C CA  . TRP A 105 ? 0.59402 0.41146 0.52273 -0.01447 0.01312  -0.03968 682 TRP A CA  
517  C C   . TRP A 105 ? 0.59509 0.43078 0.52522 -0.00777 0.02087  -0.03592 682 TRP A C   
518  O O   . TRP A 105 ? 0.57457 0.42056 0.50631 -0.00783 0.01931  -0.03480 682 TRP A O   
519  C CB  . TRP A 105 ? 0.57846 0.40697 0.52525 -0.02708 0.01201  -0.03321 682 TRP A CB  
520  C CG  . TRP A 105 ? 0.59798 0.41078 0.54830 -0.03813 0.00579  -0.03045 682 TRP A CG  
521  C CD1 . TRP A 105 ? 0.59090 0.40634 0.54975 -0.04439 0.00992  -0.02028 682 TRP A CD1 
522  C CD2 . TRP A 105 ? 0.62876 0.41867 0.57321 -0.04569 -0.00722 -0.03682 682 TRP A CD2 
523  N NE1 . TRP A 105 ? 0.61979 0.41494 0.58101 -0.05683 0.00086  -0.01640 682 TRP A NE1 
524  C CE2 . TRP A 105 ? 0.63282 0.40921 0.58578 -0.05851 -0.01074 -0.02785 682 TRP A CE2 
525  C CE3 . TRP A 105 ? 0.61770 0.39719 0.54911 -0.04352 -0.01735 -0.04925 682 TRP A CE3 
526  C CZ2 . TRP A 105 ? 0.63983 0.38737 0.59118 -0.07122 -0.02533 -0.03096 682 TRP A CZ2 
527  C CZ3 . TRP A 105 ? 0.67761 0.42952 0.60419 -0.05402 -0.03204 -0.05610 682 TRP A CZ3 
528  C CH2 . TRP A 105 ? 0.68239 0.41577 0.62011 -0.06874 -0.03664 -0.04706 682 TRP A CH2 
529  N N   . VAL A 106 ? 0.68735 0.52688 0.61736 -0.00275 0.02751  -0.03266 683 VAL A N   
530  C CA  . VAL A 106 ? 0.70079 0.55595 0.63668 -0.00183 0.03286  -0.02733 683 VAL A CA  
531  C C   . VAL A 106 ? 0.71394 0.57764 0.64018 0.00569  0.03501  -0.02594 683 VAL A C   
532  O O   . VAL A 106 ? 0.74620 0.61145 0.66380 0.01466  0.03759  -0.02809 683 VAL A O   
533  C CB  . VAL A 106 ? 0.68257 0.54315 0.62442 -0.00276 0.03686  -0.02411 683 VAL A CB  
534  C CG1 . VAL A 106 ? 0.71290 0.58635 0.66104 -0.00474 0.03934  -0.01958 683 VAL A CG1 
535  C CG2 . VAL A 106 ? 0.65520 0.51435 0.60381 -0.00906 0.03637  -0.02411 683 VAL A CG2 
536  N N   . ASP A 107 ? 0.65941 0.53091 0.58677 0.00378  0.03426  -0.02108 684 ASP A N   
537  C CA  . ASP A 107 ? 0.66199 0.54803 0.57959 0.00969  0.03725  -0.01572 684 ASP A CA  
538  C C   . ASP A 107 ? 0.65968 0.56144 0.58828 0.00525  0.04259  -0.00337 684 ASP A C   
539  O O   . ASP A 107 ? 0.66270 0.58421 0.58759 0.01051  0.04837  0.00188  684 ASP A O   
540  C CB  . ASP A 107 ? 0.66093 0.54866 0.57238 0.00932  0.03210  -0.01325 684 ASP A CB  
541  C CG  . ASP A 107 ? 0.67781 0.55454 0.57769 0.01167  0.02433  -0.02571 684 ASP A CG  
542  O OD1 . ASP A 107 ? 0.67508 0.54481 0.56144 0.01865  0.02423  -0.03565 684 ASP A OD1 
543  O OD2 . ASP A 107 ? 0.67899 0.55366 0.58434 0.00673  0.01719  -0.02590 684 ASP A OD2 
544  N N   . GLU A 108 ? 0.66603 0.56038 0.60868 -0.00425 0.04011  0.00090  685 GLU A N   
545  C CA  . GLU A 108 ? 0.67952 0.58266 0.63405 -0.01260 0.04155  0.01169  685 GLU A CA  
546  C C   . GLU A 108 ? 0.65474 0.54400 0.61966 -0.01912 0.03800  0.00497  685 GLU A C   
547  O O   . GLU A 108 ? 0.61426 0.48969 0.57838 -0.01684 0.03556  -0.00412 685 GLU A O   
548  C CB  . GLU A 108 ? 0.68195 0.58573 0.63912 -0.01770 0.03953  0.02593  685 GLU A CB  
549  C CG  . GLU A 108 ? 0.70937 0.62606 0.65088 -0.00933 0.04147  0.03064  685 GLU A CG  
550  C CD  . GLU A 108 ? 0.76314 0.68727 0.70687 -0.01504 0.04062  0.05113  685 GLU A CD  
551  O OE1 . GLU A 108 ? 0.81541 0.76268 0.76296 -0.02027 0.04608  0.06622  685 GLU A OE1 
552  O OE2 . GLU A 108 ? 0.76140 0.67108 0.70445 -0.01432 0.03435  0.05466  685 GLU A OE2 
553  N N   . ILE A 109 ? 0.58337 0.48087 0.55780 -0.02721 0.03749  0.00940  686 ILE A N   
554  C CA  . ILE A 109 ? 0.57368 0.45939 0.55419 -0.03328 0.03259  0.00101  686 ILE A CA  
555  C C   . ILE A 109 ? 0.59827 0.47636 0.59018 -0.04669 0.02619  0.00797  686 ILE A C   
556  O O   . ILE A 109 ? 0.58712 0.48268 0.58707 -0.05502 0.02695  0.02218  686 ILE A O   
557  C CB  . ILE A 109 ? 0.58853 0.48907 0.56820 -0.03150 0.03414  -0.00359 686 ILE A CB  
558  C CG1 . ILE A 109 ? 0.59427 0.49148 0.56331 -0.02034 0.03787  -0.01017 686 ILE A CG1 
559  C CG2 . ILE A 109 ? 0.58075 0.47409 0.56405 -0.03905 0.02773  -0.01160 686 ILE A CG2 
560  C CD1 . ILE A 109 ? 0.55636 0.46497 0.52366 -0.01661 0.03872  -0.01129 686 ILE A CD1 
561  N N   . ILE A 110 ? 0.62473 0.47699 0.61770 -0.04857 0.01956  -0.00182 687 ILE A N   
562  C CA  . ILE A 110 ? 0.63785 0.47185 0.63998 -0.06192 0.00978  -0.00092 687 ILE A CA  
563  C C   . ILE A 110 ? 0.65586 0.48850 0.65459 -0.06382 0.00497  -0.01766 687 ILE A C   
564  O O   . ILE A 110 ? 0.64712 0.46982 0.63597 -0.05285 0.00587  -0.03322 687 ILE A O   
565  C CB  . ILE A 110 ? 0.65610 0.45580 0.65902 -0.05882 0.00399  -0.00165 687 ILE A CB  
566  C CG1 . ILE A 110 ? 0.64861 0.45354 0.65288 -0.05697 0.00761  0.01742  687 ILE A CG1 
567  C CG2 . ILE A 110 ? 0.67596 0.44678 0.68701 -0.07281 -0.00875 -0.00313 687 ILE A CG2 
568  C CD1 . ILE A 110 ? 0.66607 0.44170 0.66967 -0.04744 0.00278  0.01651  687 ILE A CD1 
569  N N   . SER A 111 ? 0.58850 0.43585 0.59570 -0.07801 -0.00048 -0.01345 688 SER A N   
570  C CA  . SER A 111 ? 0.60207 0.45821 0.60459 -0.08033 -0.00579 -0.02707 688 SER A CA  
571  C C   . SER A 111 ? 0.62179 0.47715 0.63728 -0.10186 -0.01932 -0.02442 688 SER A C   
572  O O   . SER A 111 ? 0.54669 0.43054 0.57788 -0.11357 -0.01869 -0.00653 688 SER A O   
573  C CB  . SER A 111 ? 0.60162 0.49323 0.60080 -0.07157 0.00315  -0.02245 688 SER A CB  
574  O OG  . SER A 111 ? 0.61434 0.51722 0.60641 -0.07127 -0.00161 -0.03328 688 SER A OG  
575  N N   . PRO A 112 ? 0.65961 0.48416 0.66946 -0.10775 -0.03241 -0.04222 689 PRO A N   
576  C CA  . PRO A 112 ? 0.65956 0.45677 0.65086 -0.09047 -0.03144 -0.06365 689 PRO A CA  
577  C C   . PRO A 112 ? 0.67290 0.43418 0.66624 -0.08394 -0.03092 -0.06127 689 PRO A C   
578  O O   . PRO A 112 ? 0.68463 0.43222 0.69207 -0.09766 -0.03631 -0.04530 689 PRO A O   
579  C CB  . PRO A 112 ? 0.69212 0.47236 0.67534 -0.09903 -0.04751 -0.08495 689 PRO A CB  
580  C CG  . PRO A 112 ? 0.65398 0.42659 0.65750 -0.12578 -0.06121 -0.07212 689 PRO A CG  
581  C CD  . PRO A 112 ? 0.64884 0.46655 0.66907 -0.13091 -0.04988 -0.04482 689 PRO A CD  
582  N N   . CYS A 113 ? 0.73044 0.47984 0.71129 -0.06359 -0.02506 -0.07484 690 CYS A N   
583  C CA  . CYS A 113 ? 0.74323 0.46050 0.72629 -0.05343 -0.02582 -0.07402 690 CYS A CA  
584  C C   . CYS A 113 ? 0.75762 0.43440 0.73101 -0.04551 -0.03713 -0.09849 690 CYS A C   
585  O O   . CYS A 113 ? 0.77170 0.45144 0.73173 -0.04398 -0.04149 -0.11927 690 CYS A O   
586  C CB  . CYS A 113 ? 0.71116 0.44820 0.69062 -0.03441 -0.01176 -0.07089 690 CYS A CB  
587  S SG  . CYS A 113 ? 0.74825 0.50183 0.71141 -0.01505 -0.00457 -0.09395 690 CYS A SG  
588  N N   . PRO A 114 ? 0.76341 0.40107 0.74106 -0.03809 -0.04281 -0.09767 691 PRO A N   
589  C CA  . PRO A 114 ? 0.75944 0.35425 0.72574 -0.02480 -0.05353 -0.12430 691 PRO A CA  
590  C C   . PRO A 114 ? 0.78006 0.39787 0.73164 0.00300  -0.04148 -0.14365 691 PRO A C   
591  O O   . PRO A 114 ? 0.78124 0.43866 0.73594 0.01165  -0.02644 -0.13262 691 PRO A O   
592  C CB  . PRO A 114 ? 0.78723 0.33670 0.76457 -0.02145 -0.06138 -0.11235 691 PRO A CB  
593  C CG  . PRO A 114 ? 0.80132 0.37234 0.79545 -0.04069 -0.05687 -0.07737 691 PRO A CG  
594  C CD  . PRO A 114 ? 0.73308 0.36242 0.72434 -0.03975 -0.04091 -0.07252 691 PRO A CD  
595  N N   . TRP A 115 ? 0.84673 0.44084 0.78151 0.01614  -0.04892 -0.17332 692 TRP A N   
596  C CA  . TRP A 115 ? 0.86379 0.48792 0.78301 0.04242  -0.03649 -0.19201 692 TRP A CA  
597  C C   . TRP A 115 ? 0.87024 0.49214 0.79701 0.06916  -0.02840 -0.18997 692 TRP A C   
598  O O   . TRP A 115 ? 0.86777 0.53606 0.79691 0.08227  -0.01254 -0.18425 692 TRP A O   
599  C CB  . TRP A 115 ? 0.92418 0.52777 0.81898 0.05039  -0.04689 -0.22661 692 TRP A CB  
600  C CG  . TRP A 115 ? 0.92778 0.57448 0.80407 0.07413  -0.03253 -0.24299 692 TRP A CG  
601  C CD1 . TRP A 115 ? 0.93899 0.58166 0.80245 0.10683  -0.02779 -0.26612 692 TRP A CD1 
602  C CD2 . TRP A 115 ? 0.89226 0.59659 0.76113 0.06822  -0.02020 -0.23522 692 TRP A CD2 
603  N NE1 . TRP A 115 ? 0.96124 0.66122 0.81002 0.11985  -0.01205 -0.27193 692 TRP A NE1 
604  C CE2 . TRP A 115 ? 0.90913 0.64468 0.76085 0.09546  -0.00788 -0.25208 692 TRP A CE2 
605  C CE3 . TRP A 115 ? 0.87814 0.61110 0.75348 0.04416  -0.01844 -0.21460 692 TRP A CE3 
606  C CZ2 . TRP A 115 ? 0.91788 0.71076 0.75875 0.09593  0.00556  -0.24602 692 TRP A CZ2 
607  C CZ3 . TRP A 115 ? 0.85953 0.64358 0.72391 0.04704  -0.00624 -0.21031 692 TRP A CZ3 
608  C CH2 . TRP A 115 ? 0.88369 0.69637 0.73110 0.07097  0.00531  -0.22445 692 TRP A CH2 
609  N N   . VAL A 116 ? 0.89321 0.46225 0.82556 0.07698  -0.04028 -0.19292 693 VAL A N   
610  C CA  . VAL A 116 ? 0.87988 0.44550 0.82219 0.10338  -0.03511 -0.18830 693 VAL A CA  
611  C C   . VAL A 116 ? 0.87714 0.42963 0.83987 0.08824  -0.03897 -0.15567 693 VAL A C   
612  O O   . VAL A 116 ? 0.86295 0.37373 0.83024 0.06715  -0.05288 -0.14589 693 VAL A O   
613  C CB  . VAL A 116 ? 0.93323 0.44723 0.86457 0.13092  -0.04584 -0.21661 693 VAL A CB  
614  C CG1 . VAL A 116 ? 0.89707 0.42536 0.83925 0.16513  -0.03698 -0.21339 693 VAL A CG1 
615  C CG2 . VAL A 116 ? 0.91835 0.43882 0.82318 0.14129  -0.04569 -0.25175 693 VAL A CG2 
616  N N   . VAL A 117 ? 0.86623 0.45850 0.84097 0.09745  -0.02705 -0.13787 694 VAL A N   
617  C CA  . VAL A 117 ? 0.84738 0.43307 0.83767 0.08895  -0.03012 -0.10833 694 VAL A CA  
618  C C   . VAL A 117 ? 0.90991 0.44153 0.90535 0.10627  -0.04286 -0.10789 694 VAL A C   
619  O O   . VAL A 117 ? 0.91075 0.43096 0.90300 0.13679  -0.04310 -0.12770 694 VAL A O   
620  C CB  . VAL A 117 ? 0.86912 0.51210 0.86829 0.09572  -0.01646 -0.09439 694 VAL A CB  
621  C CG1 . VAL A 117 ? 0.84018 0.47970 0.85149 0.09068  -0.02063 -0.06581 694 VAL A CG1 
622  C CG2 . VAL A 117 ? 0.80071 0.48671 0.79453 0.07765  -0.00614 -0.09321 694 VAL A CG2 
623  N N   . THR A 118 ? 0.95399 0.45339 0.95757 0.08828  -0.05324 -0.08373 695 THR A N   
624  C CA  . THR A 118 ? 0.96716 0.41037 0.97700 0.10117  -0.06711 -0.07593 695 THR A CA  
625  C C   . THR A 118 ? 0.96162 0.42249 0.98407 0.09857  -0.06578 -0.04021 695 THR A C   
626  O O   . THR A 118 ? 0.94341 0.44677 0.96764 0.07820  -0.05762 -0.02136 695 THR A O   
627  C CB  . THR A 118 ? 1.00317 0.38150 1.01056 0.07860  -0.08499 -0.07717 695 THR A CB  
628  O OG1 . THR A 118 ? 0.99868 0.39913 1.01143 0.04169  -0.08344 -0.05365 695 THR A OG1 
629  C CG2 . THR A 118 ? 1.00499 0.36587 0.99621 0.08401  -0.08826 -0.11597 695 THR A CG2 
630  N N   . PRO A 119 ? 0.97748 0.40764 1.00709 0.12135  -0.07414 -0.03090 696 PRO A N   
631  C CA  . PRO A 119 ? 0.96599 0.40888 1.00495 0.11703  -0.07598 0.00599  696 PRO A CA  
632  C C   . PRO A 119 ? 0.99433 0.42475 1.03374 0.08031  -0.08087 0.03378  696 PRO A C   
633  O O   . PRO A 119 ? 0.97820 0.44930 1.01882 0.06851  -0.07474 0.05978  696 PRO A O   
634  C CB  . PRO A 119 ? 1.00469 0.39826 1.05018 0.14730  -0.08869 0.00932  696 PRO A CB  
635  C CG  . PRO A 119 ? 1.00529 0.38980 1.04595 0.17754  -0.08625 -0.02983 696 PRO A CG  
636  C CD  . PRO A 119 ? 1.00316 0.38787 1.03113 0.15516  -0.08238 -0.05392 696 PRO A CD  
637  N N   . GLU A 120 ? 1.00672 0.38414 1.04514 0.06180  -0.09238 0.02864  697 GLU A N   
638  C CA  . GLU A 120 ? 0.98701 0.36109 1.02980 0.02440  -0.09621 0.05631  697 GLU A CA  
639  C C   . GLU A 120 ? 0.96391 0.40495 1.00271 0.00600  -0.08043 0.05621  697 GLU A C   
640  O O   . GLU A 120 ? 0.96232 0.43317 1.00397 -0.01396 -0.07584 0.08510  697 GLU A O   
641  C CB  . GLU A 120 ? 1.02932 0.34871 1.07260 0.00548  -0.10928 0.04607  697 GLU A CB  
642  C CG  . GLU A 120 ? 1.08375 0.35204 1.12856 0.01564  -0.11886 0.05313  697 GLU A CG  
643  C CD  . GLU A 120 ? 1.13481 0.38582 1.17386 0.05803  -0.11814 0.02670  697 GLU A CD  
644  O OE1 . GLU A 120 ? 1.09420 0.37271 1.12696 0.07659  -0.11025 -0.00223 697 GLU A OE1 
645  O OE2 . GLU A 120 ? 1.19394 0.40720 1.23543 0.07353  -0.12476 0.03616  697 GLU A OE2 
646  N N   . PHE A 121 ? 0.80037 0.26648 0.83153 0.01422  -0.07178 0.02456  698 PHE A N   
647  C CA  . PHE A 121 ? 0.77112 0.29542 0.79829 -0.00016 -0.05792 0.02392  698 PHE A CA  
648  C C   . PHE A 121 ? 0.76188 0.33522 0.78804 0.00722  -0.04691 0.04168  698 PHE A C   
649  O O   . PHE A 121 ? 0.73227 0.34282 0.75639 -0.00899 -0.03924 0.05617  698 PHE A O   
650  C CB  . PHE A 121 ? 0.75213 0.29145 0.77050 0.00975  -0.05172 -0.01067 698 PHE A CB  
651  C CG  . PHE A 121 ? 0.68004 0.27149 0.69430 -0.00385 -0.03942 -0.01177 698 PHE A CG  
652  C CD1 . PHE A 121 ? 0.67399 0.26766 0.68935 -0.02845 -0.04226 -0.01033 698 PHE A CD1 
653  C CD2 . PHE A 121 ? 0.68920 0.32659 0.69984 0.00812  -0.02648 -0.01422 698 PHE A CD2 
654  C CE1 . PHE A 121 ? 0.67398 0.31489 0.68584 -0.03686 -0.03131 -0.01142 698 PHE A CE1 
655  C CE2 . PHE A 121 ? 0.62264 0.30025 0.62879 -0.00272 -0.01667 -0.01548 698 PHE A CE2 
656  C CZ  . PHE A 121 ? 0.61728 0.29578 0.62359 -0.02325 -0.01879 -0.01414 698 PHE A CZ  
657  N N   . LEU A 122 ? 0.84911 0.42565 0.87627 0.03293  -0.04661 0.03885  699 LEU A N   
658  C CA  . LEU A 122 ? 0.84258 0.46429 0.86842 0.03971  -0.03972 0.05365  699 LEU A CA  
659  C C   . LEU A 122 ? 0.84712 0.47046 0.87225 0.02551  -0.04324 0.08804  699 LEU A C   
660  O O   . LEU A 122 ? 0.83619 0.50045 0.85412 0.01487  -0.03538 0.09884  699 LEU A O   
661  C CB  . LEU A 122 ? 0.86270 0.48641 0.89419 0.06946  -0.04207 0.04694  699 LEU A CB  
662  C CG  . LEU A 122 ? 0.86528 0.49457 0.89761 0.08602  -0.03680 0.01493  699 LEU A CG  
663  C CD1 . LEU A 122 ? 0.85590 0.49880 0.89764 0.11654  -0.03778 0.01152  699 LEU A CD1 
664  C CD2 . LEU A 122 ? 0.79672 0.47137 0.82297 0.07288  -0.02439 0.00369  699 LEU A CD2 
665  N N   . GLU A 123 ? 0.92751 0.50611 0.95875 0.02670  -0.05526 0.10608  700 GLU A N   
666  C CA  . GLU A 123 ? 0.96081 0.54277 0.99122 0.01262  -0.05847 0.14349  700 GLU A CA  
667  C C   . GLU A 123 ? 0.96301 0.56221 0.99231 -0.01733 -0.05270 0.15377  700 GLU A C   
668  O O   . GLU A 123 ? 0.97111 0.60832 0.99405 -0.02734 -0.04636 0.17753  700 GLU A O   
669  C CB  . GLU A 123 ? 0.96243 0.48482 1.00139 0.01716  -0.07412 0.16287  700 GLU A CB  
670  C CG  . GLU A 123 ? 1.05673 0.59103 1.09314 0.01671  -0.07772 0.20335  700 GLU A CG  
671  C CD  . GLU A 123 ? 1.09940 0.65047 1.13397 0.04787  -0.08020 0.20348  700 GLU A CD  
672  O OE1 . GLU A 123 ? 1.12028 0.62575 1.16334 0.06758  -0.09223 0.20620  700 GLU A OE1 
673  O OE2 . GLU A 123 ? 1.04948 0.65829 1.07485 0.05306  -0.07152 0.20040  700 GLU A OE2 
674  N N   . LYS A 124 ? 0.89619 0.47193 0.93120 -0.03072 -0.05510 0.13601  701 LYS A N   
675  C CA  . LYS A 124 ? 0.87205 0.47022 0.91019 -0.05877 -0.05041 0.14656  701 LYS A CA  
676  C C   . LYS A 124 ? 0.84002 0.50302 0.86740 -0.05726 -0.03441 0.14526  701 LYS A C   
677  O O   . LYS A 124 ? 0.82968 0.52607 0.85533 -0.07045 -0.02835 0.17002  701 LYS A O   
678  C CB  . LYS A 124 ? 0.86393 0.43546 0.90813 -0.07046 -0.05612 0.12159  701 LYS A CB  
679  C CG  . LYS A 124 ? 0.86274 0.46293 0.91444 -0.09953 -0.05268 0.13328  701 LYS A CG  
680  C CD  . LYS A 124 ? 0.85194 0.42622 0.90954 -0.11259 -0.06181 0.10940  701 LYS A CD  
681  C CE  . LYS A 124 ? 0.82743 0.43164 0.89839 -0.14392 -0.06143 0.12704  701 LYS A CE  
682  N NZ  . LYS A 124 ? 0.87884 0.47918 0.95201 -0.15373 -0.06747 0.09962  701 LYS A NZ  
683  N N   . TYR A 125 ? 0.76082 0.44207 0.78034 -0.04014 -0.02769 0.11726  702 TYR A N   
684  C CA  . TYR A 125 ? 0.74971 0.48139 0.75860 -0.03810 -0.01489 0.10968  702 TYR A CA  
685  C C   . TYR A 125 ? 0.74074 0.49808 0.73820 -0.02155 -0.01191 0.11346  702 TYR A C   
686  O O   . TYR A 125 ? 0.69447 0.48540 0.68160 -0.01761 -0.00392 0.10261  702 TYR A O   
687  C CB  . TYR A 125 ? 0.72582 0.46075 0.73407 -0.03442 -0.01077 0.07871  702 TYR A CB  
688  C CG  . TYR A 125 ? 0.74395 0.46773 0.75999 -0.05222 -0.01332 0.07355  702 TYR A CG  
689  C CD1 . TYR A 125 ? 0.75846 0.51667 0.77514 -0.06588 -0.00615 0.08039  702 TYR A CD1 
690  C CD2 . TYR A 125 ? 0.74392 0.42485 0.76628 -0.05408 -0.02389 0.06062  702 TYR A CD2 
691  C CE1 . TYR A 125 ? 0.73926 0.49368 0.76577 -0.08325 -0.01020 0.07707  702 TYR A CE1 
692  C CE2 . TYR A 125 ? 0.74208 0.41418 0.77076 -0.07230 -0.02906 0.05458  702 TYR A CE2 
693  C CZ  . TYR A 125 ? 0.73749 0.44859 0.76973 -0.08800 -0.02253 0.06412  702 TYR A CZ  
694  O OH  . TYR A 125 ? 0.76423 0.47189 0.80546 -0.10714 -0.02949 0.05942  702 TYR A OH  
695  N N   . LYS A 126 ? 0.54508 0.58065 0.97793 0.10052  -0.10062 0.13283  703 LYS A N   
696  C CA  . LYS A 126 ? 0.58439 0.62453 0.95083 0.11839  -0.08037 0.13908  703 LYS A CA  
697  C C   . LYS A 126 ? 0.58019 0.57849 0.87947 0.11886  -0.09905 0.11198  703 LYS A C   
698  O O   . LYS A 126 ? 0.58484 0.57905 0.81659 0.13715  -0.09754 0.11036  703 LYS A O   
699  C CB  . LYS A 126 ? 0.58242 0.65424 0.90873 0.14547  -0.06527 0.15802  703 LYS A CB  
700  N N   . ILE A 127 ? 0.57295 0.53688 0.87614 0.09516  -0.11518 0.08282  704 ILE A N   
701  C CA  . ILE A 127 ? 0.60608 0.53021 0.82486 0.08327  -0.12239 0.05301  704 ILE A CA  
702  C C   . ILE A 127 ? 0.59585 0.51716 0.80789 0.07778  -0.10574 0.04790  704 ILE A C   
703  O O   . ILE A 127 ? 0.63003 0.56020 0.89376 0.06978  -0.09671 0.04541  704 ILE A O   
704  C CB  . ILE A 127 ? 0.64279 0.54024 0.84764 0.06578  -0.14033 0.02276  704 ILE A CB  
705  C CG1 . ILE A 127 ? 0.66033 0.55811 0.85959 0.07382  -0.16197 0.02436  704 ILE A CG1 
706  C CG2 . ILE A 127 ? 0.66312 0.52779 0.78965 0.05531  -0.13775 0.00231  704 ILE A CG2 
707  C CD1 . ILE A 127 ? 0.69315 0.57606 0.90304 0.06479  -0.18618 -0.00571 704 ILE A CD1 
708  N N   . ASP A 128 ? 0.56721 0.47548 0.72365 0.08279  -0.10505 0.04498  705 ASP A N   
709  C CA  . ASP A 128 ? 0.56018 0.46901 0.71600 0.07843  -0.09323 0.03894  705 ASP A CA  
710  C C   . ASP A 128 ? 0.62041 0.50241 0.74651 0.05353  -0.09054 0.01693  705 ASP A C   
711  O O   . ASP A 128 ? 0.59108 0.48033 0.73958 0.04452  -0.07722 0.00890  705 ASP A O   
712  C CB  . ASP A 128 ? 0.56562 0.47760 0.69126 0.10037  -0.09972 0.04498  705 ASP A CB  
713  C CG  . ASP A 128 ? 0.52425 0.47356 0.67131 0.13582  -0.09591 0.07015  705 ASP A CG  
714  O OD1 . ASP A 128 ? 0.53168 0.51098 0.72416 0.14596  -0.07980 0.08635  705 ASP A OD1 
715  O OD2 . ASP A 128 ? 0.54643 0.49813 0.66571 0.15703  -0.10694 0.07738  705 ASP A OD2 
716  N N   . TYR A 129 ? 0.58340 0.43798 0.65953 0.04567  -0.10066 0.01064  706 TYR A N   
717  C CA  . TYR A 129 ? 0.63990 0.47524 0.68384 0.02758  -0.09239 -0.00043 706 TYR A CA  
718  C C   . TYR A 129 ? 0.68298 0.49970 0.68553 0.02660  -0.10219 -0.00762 706 TYR A C   
719  O O   . TYR A 129 ? 0.65169 0.45735 0.63297 0.03558  -0.11936 -0.00150 706 TYR A O   
720  C CB  . TYR A 129 ? 0.64580 0.46373 0.66696 0.02071  -0.09268 0.00689  706 TYR A CB  
721  C CG  . TYR A 129 ? 0.61293 0.44778 0.67081 0.02557  -0.09093 0.00757  706 TYR A CG  
722  C CD1 . TYR A 129 ? 0.62927 0.47897 0.71677 0.01331  -0.07376 0.00235  706 TYR A CD1 
723  C CD2 . TYR A 129 ? 0.62558 0.46390 0.68433 0.04793  -0.10853 0.01155  706 TYR A CD2 
724  C CE1 . TYR A 129 ? 0.60075 0.46669 0.72197 0.02041  -0.07694 0.00022  706 TYR A CE1 
725  C CE2 . TYR A 129 ? 0.57983 0.43451 0.66423 0.06008  -0.11239 0.00777  706 TYR A CE2 
726  C CZ  . TYR A 129 ? 0.57910 0.44670 0.69681 0.04478  -0.09791 0.00169  706 TYR A CZ  
727  O OH  . TYR A 129 ? 0.54745 0.43290 0.69197 0.05937  -0.10593 -0.00479 706 TYR A OH  
728  N N   . VAL A 130 ? 0.63849 0.45414 0.62526 0.02096  -0.09230 -0.02210 707 VAL A N   
729  C CA  . VAL A 130 ? 0.68850 0.48724 0.61946 0.02644  -0.10079 -0.03077 707 VAL A CA  
730  C C   . VAL A 130 ? 0.76220 0.54488 0.64236 0.01908  -0.08419 -0.01302 707 VAL A C   
731  O O   . VAL A 130 ? 0.81184 0.60562 0.70775 0.00865  -0.06110 -0.00634 707 VAL A O   
732  C CB  . VAL A 130 ? 0.69924 0.50853 0.63722 0.03450  -0.10286 -0.05987 707 VAL A CB  
733  C CG1 . VAL A 130 ? 0.75170 0.54657 0.61915 0.04918  -0.11386 -0.07237 707 VAL A CG1 
734  C CG2 . VAL A 130 ? 0.67795 0.49951 0.68717 0.03769  -0.12173 -0.07163 707 VAL A CG2 
735  N N   . ALA A 131 ? 0.72457 0.48266 0.55284 0.02434  -0.09558 -0.00141 708 ALA A N   
736  C CA  . ALA A 131 ? 0.80595 0.54488 0.59351 0.01738  -0.08023 0.02488  708 ALA A CA  
737  C C   . ALA A 131 ? 0.84612 0.57884 0.56304 0.03481  -0.07892 0.02364  708 ALA A C   
738  O O   . ALA A 131 ? 0.85327 0.57239 0.53903 0.04950  -0.10475 0.01463  708 ALA A O   
739  C CB  . ALA A 131 ? 0.76703 0.47600 0.55459 0.01252  -0.09715 0.04435  708 ALA A CB  
740  N N   . HIS A 132 ? 0.84457 0.59193 0.53576 0.03773  -0.04893 0.03296  709 HIS A N   
741  C CA  . HIS A 132 ? 0.94492 0.69572 0.55837 0.06469  -0.04298 0.03062  709 HIS A CA  
742  C C   . HIS A 132 ? 0.97473 0.74196 0.56702 0.06388  0.00157  0.06627  709 HIS A C   
743  O O   . HIS A 132 ? 0.93668 0.72164 0.58684 0.04291  0.02536  0.07817  709 HIS A O   
744  C CB  . HIS A 132 ? 0.92043 0.69107 0.52988 0.08700  -0.05984 -0.01824 709 HIS A CB  
745  C CG  . HIS A 132 ? 0.97163 0.73860 0.49768 0.12340  -0.07587 -0.03476 709 HIS A CG  
746  N ND1 . HIS A 132 ? 1.03582 0.82303 0.49469 0.15332  -0.05234 -0.03529 709 HIS A ND1 
747  C CD2 . HIS A 132 ? 0.95604 0.70499 0.45238 0.13980  -0.11435 -0.05165 709 HIS A CD2 
748  C CE1 . HIS A 132 ? 1.07628 0.85595 0.46044 0.18960  -0.07816 -0.05445 709 HIS A CE1 
749  N NE2 . HIS A 132 ? 1.04404 0.79953 0.45338 0.17985  -0.11750 -0.06541 709 HIS A NE2 
750  N N   . ASP A 133 ? 1.23398 0.99957 0.74613 0.08940  0.01382  0.08656  710 ASP A N   
751  C CA  . ASP A 133 ? 1.28672 1.07808 0.78166 0.09357  0.06319  0.12847  710 ASP A CA  
752  C C   . ASP A 133 ? 1.30096 1.13767 0.80358 0.10925  0.08413  0.09895  710 ASP A C   
753  O O   . ASP A 133 ? 1.27773 1.11941 0.78039 0.12428  0.05647  0.04443  710 ASP A O   
754  C CB  . ASP A 133 ? 1.31490 1.10000 0.71375 0.12601  0.07595  0.16277  710 ASP A CB  
755  C CG  . ASP A 133 ? 1.38801 1.17000 0.70437 0.16947  0.04046  0.11602  710 ASP A CG  
756  O OD1 . ASP A 133 ? 1.40928 1.21513 0.72249 0.18915  0.02885  0.06440  710 ASP A OD1 
757  O OD2 . ASP A 133 ? 1.43779 1.19228 0.69642 0.18573  0.02058  0.12903  710 ASP A OD2 
758  N N   . ASP A 134 ? 1.44575 1.31608 0.96642 0.10491  0.13260  0.13685  711 ASP A N   
759  C CA  . ASP A 134 ? 1.44484 1.36262 0.97419 0.12278  0.15724  0.11282  711 ASP A CA  
760  C C   . ASP A 134 ? 1.49660 1.45582 0.94956 0.16409  0.20425  0.14538  711 ASP A C   
761  O O   . ASP A 134 ? 1.59185 1.56510 0.95851 0.21447  0.19603  0.11084  711 ASP A O   
762  C CB  . ASP A 134 ? 1.41105 1.34584 1.04843 0.08303  0.17444  0.12368  711 ASP A CB  
763  C CG  . ASP A 134 ? 1.39204 1.36154 1.05534 0.09690  0.17821  0.07801  711 ASP A CG  
764  O OD1 . ASP A 134 ? 1.41766 1.38740 1.02904 0.13170  0.15628  0.02924  711 ASP A OD1 
765  O OD2 . ASP A 134 ? 1.34697 1.34184 1.08805 0.07402  0.19929  0.08898  711 ASP A OD2 
766  N N   . ASP A 144 ? 1.30985 1.33692 0.93402 0.30417  0.05996  -0.28800 739 ASP A N   
767  C CA  . ASP A 144 ? 1.32448 1.32364 0.88904 0.30709  0.03476  -0.28129 739 ASP A CA  
768  C C   . ASP A 144 ? 1.28331 1.23352 0.91634 0.27894  -0.02338 -0.30965 739 ASP A C   
769  O O   . ASP A 144 ? 1.21518 1.15345 0.93803 0.26072  -0.04219 -0.33236 739 ASP A O   
770  C CB  . ASP A 144 ? 1.35105 1.36010 0.89425 0.27690  0.07765  -0.20552 739 ASP A CB  
771  C CG  . ASP A 144 ? 1.30275 1.30629 0.94695 0.21617  0.09349  -0.16555 739 ASP A CG  
772  O OD1 . ASP A 144 ? 1.26609 1.29431 0.97073 0.20659  0.11442  -0.16657 739 ASP A OD1 
773  O OD2 . ASP A 144 ? 1.29662 1.27208 0.95655 0.18232  0.08294  -0.13484 739 ASP A OD2 
774  N N   . ILE A 145 ? 1.24255 1.16782 0.83488 0.27885  -0.05043 -0.30525 740 ILE A N   
775  C CA  . ILE A 145 ? 1.20004 1.08718 0.86038 0.25302  -0.10123 -0.32329 740 ILE A CA  
776  C C   . ILE A 145 ? 1.15731 1.03750 0.91138 0.19700  -0.08607 -0.28012 740 ILE A C   
777  O O   . ILE A 145 ? 1.07749 0.93721 0.91332 0.17637  -0.11881 -0.29204 740 ILE A O   
778  C CB  . ILE A 145 ? 1.22410 1.09363 0.81368 0.26731  -0.12693 -0.32058 740 ILE A CB  
779  C CG1 . ILE A 145 ? 1.28536 1.15934 0.78575 0.33141  -0.15677 -0.37638 740 ILE A CG1 
780  C CG2 . ILE A 145 ? 1.17737 1.01655 0.84513 0.23414  -0.16868 -0.32199 740 ILE A CG2 
781  C CD1 . ILE A 145 ? 1.38657 1.29950 0.77970 0.37500  -0.10739 -0.35969 740 ILE A CD1 
782  N N   . TYR A 146 ? 1.04840 0.94768 0.79584 0.17505  -0.03815 -0.22899 741 TYR A N   
783  C CA  . TYR A 146 ? 1.00245 0.89558 0.82148 0.13031  -0.02773 -0.19041 741 TYR A CA  
784  C C   . TYR A 146 ? 0.94437 0.86002 0.82829 0.11669  -0.00199 -0.18461 741 TYR A C   
785  O O   . TYR A 146 ? 0.87141 0.78525 0.81340 0.08615  0.00406  -0.15729 741 TYR A O   
786  C CB  . TYR A 146 ? 1.03828 0.92827 0.81422 0.11377  -0.00477 -0.13968 741 TYR A CB  
787  C CG  . TYR A 146 ? 1.10930 0.97652 0.81927 0.12954  -0.03071 -0.14317 741 TYR A CG  
788  C CD1 . TYR A 146 ? 1.06654 0.90805 0.80910 0.11565  -0.06713 -0.14776 741 TYR A CD1 
789  C CD2 . TYR A 146 ? 1.17711 1.05335 0.79149 0.16361  -0.01829 -0.14093 741 TYR A CD2 
790  C CE1 . TYR A 146 ? 1.08173 0.90486 0.76859 0.13185  -0.09382 -0.15332 741 TYR A CE1 
791  C CE2 . TYR A 146 ? 1.17911 1.03486 0.72964 0.18256  -0.04526 -0.14555 741 TYR A CE2 
792  C CZ  . TYR A 146 ? 1.14203 0.97007 0.73196 0.16498  -0.08494 -0.15384 741 TYR A CZ  
793  O OH  . TYR A 146 ? 1.16233 0.97218 0.69414 0.18471  -0.11449 -0.15995 741 TYR A OH  
794  N N   . ALA A 147 ? 0.83017 0.76854 0.70265 0.14388  0.01087  -0.21226 742 ALA A N   
795  C CA  . ALA A 147 ? 0.80071 0.76083 0.73928 0.13516  0.03072  -0.21231 742 ALA A CA  
796  C C   . ALA A 147 ? 0.70284 0.64315 0.73196 0.10848  0.00745  -0.21049 742 ALA A C   
797  O O   . ALA A 147 ? 0.64123 0.59275 0.71667 0.08428  0.02515  -0.18008 742 ALA A O   
798  C CB  . ALA A 147 ? 0.80362 0.78030 0.72553 0.17608  0.02965  -0.25932 742 ALA A CB  
799  N N   . TRP A 148 ? 0.80647 0.71951 0.86504 0.11517  -0.03342 -0.24076 743 TRP A N   
800  C CA  . TRP A 148 ? 0.74884 0.64898 0.89937 0.09463  -0.05052 -0.23119 743 TRP A CA  
801  C C   . TRP A 148 ? 0.73954 0.63931 0.89820 0.06728  -0.04113 -0.18445 743 TRP A C   
802  O O   . TRP A 148 ? 0.70993 0.61687 0.92742 0.05395  -0.03443 -0.16229 743 TRP A O   
803  C CB  . TRP A 148 ? 0.75096 0.62366 0.94326 0.10402  -0.09642 -0.26474 743 TRP A CB  
804  C CG  . TRP A 148 ? 0.77852 0.63432 0.94236 0.10001  -0.12130 -0.26026 743 TRP A CG  
805  C CD1 . TRP A 148 ? 0.84439 0.69213 0.93073 0.12224  -0.13876 -0.28672 743 TRP A CD1 
806  C CD2 . TRP A 148 ? 0.72580 0.57451 0.93894 0.07786  -0.13244 -0.22802 743 TRP A CD2 
807  N NE1 . TRP A 148 ? 0.82933 0.66310 0.91787 0.11192  -0.16205 -0.27397 743 TRP A NE1 
808  C CE2 . TRP A 148 ? 0.73355 0.56926 0.90118 0.08471  -0.15741 -0.23802 743 TRP A CE2 
809  C CE3 . TRP A 148 ? 0.66542 0.52201 0.95225 0.05860  -0.12238 -0.19026 743 TRP A CE3 
810  C CZ2 . TRP A 148 ? 0.73140 0.56291 0.93127 0.07053  -0.17185 -0.21248 743 TRP A CZ2 
811  C CZ3 . TRP A 148 ? 0.65808 0.51295 0.97114 0.04816  -0.13426 -0.16307 743 TRP A CZ3 
812  C CH2 . TRP A 148 ? 0.66761 0.51045 0.94083 0.05287  -0.15864 -0.17482 743 TRP A CH2 
813  N N   . LEU A 149 ? 0.71117 0.60227 0.80785 0.06382  -0.04260 -0.17018 744 LEU A N   
814  C CA  . LEU A 149 ? 0.68740 0.57545 0.78517 0.04314  -0.03678 -0.13096 744 LEU A CA  
815  C C   . LEU A 149 ? 0.67458 0.58231 0.77640 0.03089  -0.00592 -0.10653 744 LEU A C   
816  O O   . LEU A 149 ? 0.62593 0.53754 0.76619 0.01926  -0.00537 -0.08582 744 LEU A O   
817  C CB  . LEU A 149 ? 0.74750 0.61839 0.77772 0.04497  -0.04685 -0.12314 744 LEU A CB  
818  C CG  . LEU A 149 ? 0.75016 0.60246 0.78635 0.05142  -0.08279 -0.13700 744 LEU A CG  
819  C CD1 . LEU A 149 ? 0.78836 0.62648 0.74337 0.05927  -0.08914 -0.13215 744 LEU A CD1 
820  C CD2 . LEU A 149 ? 0.65097 0.50408 0.74952 0.03804  -0.09127 -0.11254 744 LEU A CD2 
821  N N   . LYS A 150 ? 0.64509 0.56905 0.70967 0.03659  0.01911  -0.10782 745 LYS A N   
822  C CA  . LYS A 150 ? 0.62525 0.57201 0.71298 0.02250  0.04634  -0.08397 745 LYS A CA  
823  C C   . LYS A 150 ? 0.55725 0.52248 0.71346 0.02294  0.04893  -0.09382 745 LYS A C   
824  O O   . LYS A 150 ? 0.52914 0.50541 0.72484 0.01018  0.05347  -0.07612 745 LYS A O   
825  C CB  . LYS A 150 ? 0.69151 0.66089 0.73621 0.03059  0.07835  -0.07596 745 LYS A CB  
826  C CG  . LYS A 150 ? 0.78730 0.74098 0.75649 0.03669  0.07998  -0.06112 745 LYS A CG  
827  C CD  . LYS A 150 ? 0.83044 0.81731 0.75549 0.05642  0.11775  -0.05210 745 LYS A CD  
828  C CE  . LYS A 150 ? 0.92001 0.89603 0.76341 0.06935  0.12449  -0.03084 745 LYS A CE  
829  N NZ  . LYS A 150 ? 0.97837 0.99681 0.78072 0.09340  0.16962  -0.01134 745 LYS A NZ  
830  N N   . ARG A 151 ? 0.70404 0.67071 0.87694 0.04050  0.04187  -0.12415 746 ARG A N   
831  C CA  . ARG A 151 ? 0.66900 0.64937 0.90864 0.04350  0.04314  -0.13124 746 ARG A CA  
832  C C   . ARG A 151 ? 0.63781 0.60885 0.92224 0.03354  0.02748  -0.11010 746 ARG A C   
833  O O   . ARG A 151 ? 0.60388 0.59270 0.92966 0.03216  0.03442  -0.09877 746 ARG A O   
834  C CB  . ARG A 151 ? 0.65603 0.62873 0.91136 0.06524  0.03003  -0.16914 746 ARG A CB  
835  C CG  . ARG A 151 ? 0.69913 0.69459 0.99938 0.07720  0.04368  -0.18334 746 ARG A CG  
836  C CD  . ARG A 151 ? 0.69787 0.68729 0.98556 0.10669  0.03335  -0.22968 746 ARG A CD  
837  N NE  . ARG A 151 ? 0.78162 0.73359 1.07049 0.11090  -0.00401 -0.25010 746 ARG A NE  
838  C CZ  . ARG A 151 ? 0.80611 0.74561 1.04664 0.13480  -0.02232 -0.28843 746 ARG A CZ  
839  N NH1 . ARG A 151 ? 0.82125 0.78439 1.00053 0.16308  -0.00348 -0.31085 746 ARG A NH1 
840  N NH2 . ARG A 151 ? 0.78544 0.69234 1.03918 0.13401  -0.06077 -0.30381 746 ARG A NH2 
841  N N   . ALA A 152 ? 0.45844 0.74915 0.77844 0.10040  -0.00598 -0.23721 747 ALA A N   
842  C CA  . ALA A 152 ? 0.44398 0.70910 0.79679 0.09530  0.01528  -0.20855 747 ALA A CA  
843  C C   . ALA A 152 ? 0.50189 0.74340 0.79361 0.07625  0.05086  -0.19367 747 ALA A C   
844  O O   . ALA A 152 ? 0.51516 0.72265 0.80764 0.08502  0.07357  -0.16847 747 ALA A O   
845  C CB  . ALA A 152 ? 0.42788 0.66039 0.85822 0.10721  0.00018  -0.17945 747 ALA A CB  
846  N N   . GLY A 153 ? 0.53671 0.78980 0.77141 0.05568  0.05304  -0.20424 748 GLY A N   
847  C CA  . GLY A 153 ? 0.57377 0.78657 0.74399 0.03530  0.06990  -0.19103 748 GLY A CA  
848  C C   . GLY A 153 ? 0.60543 0.76376 0.76136 0.03959  0.08310  -0.17358 748 GLY A C   
849  O O   . GLY A 153 ? 0.67227 0.77426 0.76197 0.03378  0.09431  -0.16266 748 GLY A O   
850  N N   . LYS A 154 ? 0.58274 0.74755 0.79327 0.05177  0.07592  -0.16981 749 LYS A N   
851  C CA  . LYS A 154 ? 0.61393 0.73407 0.83274 0.06110  0.09059  -0.14373 749 LYS A CA  
852  C C   . LYS A 154 ? 0.63858 0.75660 0.83790 0.04462  0.07953  -0.15243 749 LYS A C   
853  O O   . LYS A 154 ? 0.64842 0.73938 0.87370 0.05239  0.08382  -0.13212 749 LYS A O   
854  C CB  . LYS A 154 ? 0.57821 0.70353 0.89534 0.08560  0.08582  -0.11591 749 LYS A CB  
855  C CG  . LYS A 154 ? 0.56340 0.70321 0.91617 0.10288  0.09323  -0.10353 749 LYS A CG  
856  C CD  . LYS A 154 ? 0.55619 0.69388 1.00495 0.12887  0.10335  -0.04796 749 LYS A CD  
857  C CE  . LYS A 154 ? 0.52807 0.69032 1.03390 0.14650  0.10572  -0.02793 749 LYS A CE  
858  N NZ  . LYS A 154 ? 0.58315 0.73977 1.14398 0.15651  0.10863  0.04189  749 LYS A NZ  
859  N N   . PHE A 155 ? 0.60747 0.75917 0.76727 0.02427  0.06739  -0.17469 750 PHE A N   
860  C CA  . PHE A 155 ? 0.61544 0.77086 0.75366 0.01185  0.05974  -0.17867 750 PHE A CA  
861  C C   . PHE A 155 ? 0.67758 0.81449 0.74920 -0.01763 0.06792  -0.16962 750 PHE A C   
862  O O   . PHE A 155 ? 0.70590 0.87105 0.75392 -0.03605 0.06262  -0.16956 750 PHE A O   
863  C CB  . PHE A 155 ? 0.59033 0.80151 0.73490 0.02189  0.03925  -0.20016 750 PHE A CB  
864  C CG  . PHE A 155 ? 0.64228 0.85612 0.76071 0.01810  0.03323  -0.20143 750 PHE A CG  
865  C CD1 . PHE A 155 ? 0.68881 0.85785 0.82984 0.02688  0.02009  -0.19908 750 PHE A CD1 
866  C CD2 . PHE A 155 ? 0.66019 0.92502 0.73953 0.00538  0.03996  -0.19646 750 PHE A CD2 
867  C CE1 . PHE A 155 ? 0.72015 0.88679 0.83135 0.02459  0.01319  -0.20133 750 PHE A CE1 
868  C CE2 . PHE A 155 ? 0.67238 0.94323 0.72686 0.00524  0.03761  -0.19271 750 PHE A CE2 
869  C CZ  . PHE A 155 ? 0.72016 0.93752 0.78348 0.01542  0.02418  -0.19973 750 PHE A CZ  
870  N N   . LYS A 156 ? 0.59843 0.68516 0.64513 -0.02300 0.07426  -0.15770 751 LYS A N   
871  C CA  . LYS A 156 ? 0.64833 0.70251 0.63056 -0.05183 0.06951  -0.14842 751 LYS A CA  
872  C C   . LYS A 156 ? 0.67417 0.75794 0.66183 -0.06517 0.06218  -0.14780 751 LYS A C   
873  O O   . LYS A 156 ? 0.66514 0.72841 0.67304 -0.05078 0.06623  -0.14795 751 LYS A O   
874  C CB  . LYS A 156 ? 0.71063 0.66964 0.64017 -0.03791 0.08226  -0.13537 751 LYS A CB  
875  C CG  . LYS A 156 ? 0.74494 0.65998 0.63219 -0.02322 0.08550  -0.13413 751 LYS A CG  
876  C CD  . LYS A 156 ? 0.72380 0.69368 0.61844 -0.05395 0.06135  -0.14310 751 LYS A CD  
877  C CE  . LYS A 156 ? 0.78061 0.69511 0.61970 -0.04911 0.05091  -0.14290 751 LYS A CE  
878  N NZ  . LYS A 156 ? 0.85129 0.65713 0.58786 -0.05855 0.02582  -0.13586 751 LYS A NZ  
879  N N   . ALA A 157 ? 0.64540 0.78185 0.62158 -0.09079 0.05087  -0.14009 752 ALA A N   
880  C CA  . ALA A 157 ? 0.67250 0.84479 0.64915 -0.09766 0.04816  -0.13348 752 ALA A CA  
881  C C   . ALA A 157 ? 0.70519 0.81464 0.64145 -0.12441 0.04148  -0.11786 752 ALA A C   
882  O O   . ALA A 157 ? 0.75583 0.82129 0.65472 -0.15118 0.02606  -0.10354 752 ALA A O   
883  C CB  . ALA A 157 ? 0.62079 0.89006 0.61014 -0.10647 0.04572  -0.11611 752 ALA A CB  
884  N N   . THR A 158 ? 0.69247 0.78570 0.63063 -0.11547 0.04572  -0.12143 753 THR A N   
885  C CA  . THR A 158 ? 0.74835 0.79272 0.65011 -0.13913 0.03861  -0.10659 753 THR A CA  
886  C C   . THR A 158 ? 0.75640 0.86070 0.66826 -0.14540 0.03629  -0.09754 753 THR A C   
887  O O   . THR A 158 ? 0.69834 0.85022 0.63231 -0.11577 0.04171  -0.11140 753 THR A O   
888  C CB  . THR A 158 ? 0.76595 0.72698 0.65662 -0.11855 0.04988  -0.11157 753 THR A CB  
889  O OG1 . THR A 158 ? 0.74892 0.73305 0.68523 -0.09688 0.05376  -0.12028 753 THR A OG1 
890  C CG2 . THR A 158 ? 0.74951 0.66513 0.63491 -0.09357 0.06296  -0.11435 753 THR A CG2 
891  N N   . GLN A 159 ? 0.94895 1.04029 0.83588 -0.17968 0.02355  -0.07302 754 GLN A N   
892  C CA  . GLN A 159 ? 0.92392 1.08254 0.81942 -0.18894 0.02316  -0.05093 754 GLN A CA  
893  C C   . GLN A 159 ? 0.95900 1.06584 0.83468 -0.18866 0.02247  -0.05596 754 GLN A C   
894  O O   . GLN A 159 ? 0.99977 1.01672 0.85133 -0.19358 0.01838  -0.06420 754 GLN A O   
895  C CB  . GLN A 159 ? 0.90666 1.10685 0.81004 -0.23431 0.00312  -0.00416 754 GLN A CB  
896  C CG  . GLN A 159 ? 0.88578 1.15929 0.82338 -0.23614 0.00283  0.01259  754 GLN A CG  
897  C CD  . GLN A 159 ? 0.88247 1.07970 0.80059 -0.24021 -0.01030 -0.01019 754 GLN A CD  
898  O OE1 . GLN A 159 ? 0.94267 1.04433 0.81939 -0.26699 -0.03931 -0.00657 754 GLN A OE1 
899  N NE2 . GLN A 159 ? 0.83287 1.06463 0.77068 -0.20813 0.00809  -0.03334 754 GLN A NE2 
900  N N   . ARG A 160 ? 0.93821 1.10239 0.81819 -0.17524 0.02854  -0.04858 755 ARG A N   
901  C CA  . ARG A 160 ? 0.93634 1.06458 0.79872 -0.17826 0.02504  -0.04779 755 ARG A CA  
902  C C   . ARG A 160 ? 0.95664 1.09530 0.80981 -0.22423 0.01203  -0.00613 755 ARG A C   
903  O O   . ARG A 160 ? 0.90647 1.09163 0.77641 -0.25333 0.00164  0.02857  755 ARG A O   
904  C CB  . ARG A 160 ? 0.92982 1.10092 0.78613 -0.13522 0.03123  -0.06063 755 ARG A CB  
905  N N   . THR A 161 ? 0.98166 1.07438 0.81555 -0.23348 0.00625  -0.00462 756 THR A N   
906  C CA  . THR A 161 ? 0.99636 1.10001 0.82536 -0.27508 -0.01077 0.03718  756 THR A CA  
907  C C   . THR A 161 ? 1.03498 1.18159 0.85992 -0.25423 0.00221  0.04280  756 THR A C   
908  O O   . THR A 161 ? 1.05864 1.14238 0.86452 -0.23805 0.00267  0.01453  756 THR A O   
909  C CB  . THR A 161 ? 1.00875 0.99447 0.80074 -0.30403 -0.03551 0.03302  756 THR A CB  
910  O OG1 . THR A 161 ? 1.02260 0.94910 0.79580 -0.30464 -0.04546 0.01887  756 THR A OG1 
911  C CG2 . THR A 161 ? 0.98125 0.97029 0.77179 -0.35391 -0.06779 0.08041  756 THR A CG2 
912  N N   . GLU A 162 ? 1.15672 1.41151 0.99967 -0.24910 0.01345  0.08427  757 GLU A N   
913  C CA  . GLU A 162 ? 1.17736 1.47263 0.99851 -0.21311 0.02936  0.08883  757 GLU A CA  
914  C C   . GLU A 162 ? 1.20303 1.45156 1.01320 -0.24721 0.01389  0.10503  757 GLU A C   
915  O O   . GLU A 162 ? 1.20769 1.42460 1.03301 -0.30160 -0.01016 0.13286  757 GLU A O   
916  C CB  . GLU A 162 ? 1.13408 1.56574 0.97161 -0.18695 0.05419  0.14168  757 GLU A CB  
917  N N   . GLY A 163 ? 1.08691 1.31753 0.86337 -0.21279 0.02032  0.08489  758 GLY A N   
918  C CA  . GLY A 163 ? 1.10754 1.31350 0.87224 -0.23678 0.01044  0.10496  758 GLY A CA  
919  C C   . GLY A 163 ? 1.13347 1.22204 0.89128 -0.27088 -0.01206 0.08022  758 GLY A C   
920  O O   . GLY A 163 ? 1.16224 1.22540 0.91069 -0.29567 -0.02350 0.09879  758 GLY A O   
921  N N   . VAL A 164 ? 1.21848 1.23714 0.97871 -0.26682 -0.01575 0.04357  759 VAL A N   
922  C CA  . VAL A 164 ? 1.23029 1.14089 0.97759 -0.28227 -0.02783 0.02650  759 VAL A CA  
923  C C   . VAL A 164 ? 1.24051 1.10789 0.99213 -0.24634 -0.02364 -0.00521 759 VAL A C   
924  O O   . VAL A 164 ? 1.25021 1.03939 1.00357 -0.24645 -0.02597 -0.01380 759 VAL A O   
925  C CB  . VAL A 164 ? 1.19450 1.05437 0.93806 -0.29038 -0.03149 0.01710  759 VAL A CB  
926  C CG1 . VAL A 164 ? 1.20155 1.08772 0.94285 -0.33259 -0.05311 0.05310  759 VAL A CG1 
927  C CG2 . VAL A 164 ? 1.16280 1.05093 0.93074 -0.25355 -0.01435 -0.00965 759 VAL A CG2 
928  N N   . SER A 165 ? 1.04100 0.95476 0.79190 -0.21129 -0.02170 -0.01739 760 SER A N   
929  C CA  . SER A 165 ? 1.06009 0.92671 0.82160 -0.17674 -0.03477 -0.04626 760 SER A CA  
930  C C   . SER A 165 ? 1.09487 0.90553 0.85244 -0.18683 -0.04788 -0.04154 760 SER A C   
931  O O   . SER A 165 ? 1.11396 0.94118 0.84406 -0.20616 -0.04701 -0.02187 760 SER A O   
932  C CB  . SER A 165 ? 1.07312 0.98234 0.80732 -0.13025 -0.04232 -0.06240 760 SER A CB  
933  O OG  . SER A 165 ? 1.07035 0.91840 0.81495 -0.09835 -0.07311 -0.09037 760 SER A OG  
934  N N   . THR A 166 ? 1.33586 1.08472 1.13149 -0.17423 -0.06129 -0.05254 761 THR A N   
935  C CA  . THR A 166 ? 1.36409 1.06203 1.16645 -0.17694 -0.07934 -0.04724 761 THR A CA  
936  C C   . THR A 166 ? 1.37419 1.09080 1.12648 -0.16014 -0.09810 -0.05491 761 THR A C   
937  O O   . THR A 166 ? 1.40052 1.11311 1.12605 -0.17713 -0.09766 -0.04080 761 THR A O   
938  C CB  . THR A 166 ? 1.35207 0.99943 1.22289 -0.15893 -0.09928 -0.04796 761 THR A CB  
939  O OG1 . THR A 166 ? 1.26483 0.89333 1.17407 -0.16647 -0.07158 -0.02837 761 THR A OG1 
940  C CG2 . THR A 166 ? 1.34283 0.94193 1.22726 -0.15770 -0.13078 -0.04168 761 THR A CG2 
941  N N   . THR A 167 ? 1.14554 0.87622 0.87495 -0.11987 -0.11601 -0.07680 762 THR A N   
942  C CA  . THR A 167 ? 1.18818 0.93802 0.84216 -0.08455 -0.12740 -0.08383 762 THR A CA  
943  C C   . THR A 167 ? 1.16791 0.98768 0.78930 -0.10620 -0.09308 -0.05125 762 THR A C   
944  O O   . THR A 167 ? 1.20224 1.01589 0.78605 -0.10272 -0.09882 -0.04020 762 THR A O   
945  C CB  . THR A 167 ? 1.24763 1.02438 0.86278 -0.03361 -0.13334 -0.10566 762 THR A CB  
946  O OG1 . THR A 167 ? 1.18790 0.91718 0.85882 -0.02910 -0.16018 -0.12571 762 THR A OG1 
947  C CG2 . THR A 167 ? 1.26394 1.01738 0.78207 0.02765  -0.16017 -0.12158 762 THR A CG2 
948  N N   . ASP A 168 ? 1.21015 1.09777 0.85105 -0.12906 -0.06227 -0.03061 763 ASP A N   
949  C CA  . ASP A 168 ? 1.18275 1.15128 0.81180 -0.15160 -0.03758 0.01395  763 ASP A CA  
950  C C   . ASP A 168 ? 1.18310 1.11653 0.82418 -0.20003 -0.04441 0.03584  763 ASP A C   
951  O O   . ASP A 168 ? 1.20109 1.18668 0.82823 -0.21293 -0.03630 0.07494  763 ASP A O   
952  C CB  . ASP A 168 ? 1.14739 1.17767 0.81089 -0.17460 -0.01846 0.03413  763 ASP A CB  
953  C CG  . ASP A 168 ? 1.14321 1.19752 0.79949 -0.12814 -0.01293 0.00779  763 ASP A CG  
954  O OD1 . ASP A 168 ? 1.17268 1.21685 0.78015 -0.07010 -0.02190 -0.01571 763 ASP A OD1 
955  O OD2 . ASP A 168 ? 1.10186 1.17536 0.79255 -0.14641 -0.00487 0.00921  763 ASP A OD2 
956  N N   . LEU A 169 ? 1.25313 1.10087 0.92104 -0.22211 -0.05833 0.01675  764 LEU A N   
957  C CA  . LEU A 169 ? 1.24337 1.04527 0.91359 -0.26150 -0.06595 0.03457  764 LEU A CA  
958  C C   . LEU A 169 ? 1.26419 1.03245 0.91305 -0.24558 -0.08156 0.02822  764 LEU A C   
959  O O   . LEU A 169 ? 1.29553 1.06347 0.93082 -0.27128 -0.08450 0.05262  764 LEU A O   
960  C CB  . LEU A 169 ? 1.24951 0.97472 0.94527 -0.27855 -0.06745 0.02390  764 LEU A CB  
961  C CG  . LEU A 169 ? 1.23917 0.97376 0.93906 -0.29597 -0.05900 0.03024  764 LEU A CG  
962  C CD1 . LEU A 169 ? 1.21279 0.85585 0.90688 -0.30301 -0.05962 0.02632  764 LEU A CD1 
963  C CD2 . LEU A 169 ? 1.21572 1.01222 0.90526 -0.33085 -0.06419 0.06705  764 LEU A CD2 
964  N N   . ILE A 170 ? 1.02827 0.76116 0.67346 -0.20484 -0.09967 -0.00217 765 ILE A N   
965  C CA  . ILE A 170 ? 1.07985 0.77601 0.69217 -0.18514 -0.12403 -0.00819 765 ILE A CA  
966  C C   . ILE A 170 ? 1.11960 0.88618 0.66828 -0.16429 -0.10994 0.01266  765 ILE A C   
967  O O   . ILE A 170 ? 1.12349 0.88445 0.64542 -0.17091 -0.11448 0.02963  765 ILE A O   
968  C CB  . ILE A 170 ? 1.07466 0.70729 0.69092 -0.14392 -0.16336 -0.04183 765 ILE A CB  
969  C CG1 . ILE A 170 ? 1.05349 0.64430 0.75297 -0.16060 -0.16888 -0.04516 765 ILE A CG1 
970  C CG2 . ILE A 170 ? 1.06586 0.63591 0.65364 -0.13131 -0.20070 -0.04689 765 ILE A CG2 
971  C CD1 . ILE A 170 ? 0.99409 0.55046 0.73716 -0.19855 -0.15747 -0.02211 765 ILE A CD1 
972  N N   . VAL A 171 ? 1.29042 1.13024 0.81625 -0.13388 -0.08923 0.01790  766 VAL A N   
973  C CA  . VAL A 171 ? 1.28874 1.22111 0.76734 -0.10886 -0.06262 0.05692  766 VAL A CA  
974  C C   . VAL A 171 ? 1.26518 1.24142 0.78147 -0.16986 -0.04908 0.10929  766 VAL A C   
975  O O   . VAL A 171 ? 1.26981 1.28610 0.75638 -0.16091 -0.04059 0.14453  766 VAL A O   
976  C CB  . VAL A 171 ? 1.27570 1.29296 0.74827 -0.07528 -0.03539 0.06713  766 VAL A CB  
977  C CG1 . VAL A 171 ? 1.28196 1.39596 0.69614 -0.02190 -0.00424 0.11124  766 VAL A CG1 
978  C CG2 . VAL A 171 ? 1.30050 1.25424 0.75321 -0.03121 -0.05914 0.01090  766 VAL A CG2 
979  N N   . ARG A 172 ? 1.31913 1.27909 0.89494 -0.22927 -0.05213 0.11651  767 ARG A N   
980  C CA  . ARG A 172 ? 1.28568 1.26450 0.89186 -0.28954 -0.05566 0.16449  767 ARG A CA  
981  C C   . ARG A 172 ? 1.30566 1.22276 0.89316 -0.30293 -0.07297 0.16241  767 ARG A C   
982  O O   . ARG A 172 ? 1.34226 1.30838 0.92347 -0.31501 -0.06979 0.20767  767 ARG A O   
983  C CB  . ARG A 172 ? 1.21812 1.15183 0.86311 -0.33766 -0.06811 0.16000  767 ARG A CB  
984  C CG  . ARG A 172 ? 1.21223 1.22143 0.88537 -0.34328 -0.05674 0.18335  767 ARG A CG  
985  C CD  . ARG A 172 ? 1.20854 1.21307 0.91463 -0.40854 -0.08218 0.22793  767 ARG A CD  
986  N NE  . ARG A 172 ? 1.13132 1.00756 0.81903 -0.43331 -0.10780 0.19440  767 ARG A NE  
987  C CZ  . ARG A 172 ? 1.14764 0.97154 0.83357 -0.44900 -0.12281 0.18265  767 ARG A CZ  
988  N NH1 . ARG A 172 ? 1.14548 1.03341 0.85826 -0.45319 -0.12000 0.20022  767 ARG A NH1 
989  N NH2 . ARG A 172 ? 1.13545 0.83742 0.78551 -0.45447 -0.14027 0.15521  767 ARG A NH2 
990  N N   . ILE A 173 ? 1.22365 1.03905 0.81096 -0.30094 -0.09081 0.11784  768 ILE A N   
991  C CA  . ILE A 173 ? 1.25707 1.01201 0.83055 -0.31027 -0.10832 0.11551  768 ILE A CA  
992  C C   . ILE A 173 ? 1.32806 1.11232 0.84903 -0.26458 -0.10847 0.11798  768 ILE A C   
993  O O   . ILE A 173 ? 1.36378 1.14613 0.86609 -0.27570 -0.11417 0.14054  768 ILE A O   
994  C CB  . ILE A 173 ? 1.24068 0.89495 0.83783 -0.30756 -0.12464 0.07788  768 ILE A CB  
995  C CG1 . ILE A 173 ? 1.24384 0.84763 0.82275 -0.28357 -0.14790 0.06248  768 ILE A CG1 
996  C CG2 . ILE A 173 ? 1.24285 0.89419 0.86402 -0.28285 -0.11910 0.05043  768 ILE A CG2 
997  C CD1 . ILE A 173 ? 1.25517 0.84295 0.81948 -0.31258 -0.15499 0.08710  768 ILE A CD1 
998  N N   . LEU A 174 ? 1.37435 1.17581 0.85923 -0.20651 -0.10544 0.09370  769 LEU A N   
999  C CA  . LEU A 174 ? 1.45998 1.27336 0.86593 -0.14675 -0.10840 0.09380  769 LEU A CA  
1000 C C   . LEU A 174 ? 1.47676 1.40999 0.86489 -0.13976 -0.07084 0.15704  769 LEU A C   
1001 O O   . LEU A 174 ? 1.45607 1.40307 0.79972 -0.12129 -0.06812 0.18217  769 LEU A O   
1002 C CB  . LEU A 174 ? 1.46191 1.24290 0.81665 -0.07791 -0.12417 0.04948  769 LEU A CB  
1003 N N   . LYS A 175 ? 1.55401 1.57924 0.98596 -0.15611 -0.04281 0.19194  770 LYS A N   
1004 C CA  . LYS A 175 ? 1.53403 1.69356 0.97504 -0.14911 -0.00667 0.26985  770 LYS A CA  
1005 C C   . LYS A 175 ? 1.51370 1.69935 1.00578 -0.21624 -0.01342 0.32827  770 LYS A C   
1006 O O   . LYS A 175 ? 1.48759 1.79340 1.01206 -0.22122 0.01126  0.40956  770 LYS A O   
1007 C CB  . LYS A 175 ? 1.46803 1.71345 0.96158 -0.15807 0.01528  0.29662  770 LYS A CB  
1008 N N   . ASN A 176 ? 1.61406 1.69452 1.11875 -0.26488 -0.04717 0.29649  771 ASN A N   
1009 C CA  . ASN A 176 ? 1.58931 1.67339 1.12875 -0.32418 -0.06212 0.34485  771 ASN A CA  
1010 C C   . ASN A 176 ? 1.63032 1.59719 1.13770 -0.33149 -0.08948 0.29944  771 ASN A C   
1011 O O   . ASN A 176 ? 1.70751 1.63534 1.15296 -0.27669 -0.09096 0.26354  771 ASN A O   
1012 C CB  . ASN A 176 ? 1.54816 1.62922 1.16111 -0.40080 -0.08378 0.37312  771 ASN A CB  
# 
