data_9HSB
# 
_entry.id   9HSB 
# 
_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   9HSB         pdb_00009hsb 10.2210/pdb9hsb/pdb 
WWPDB D_1292144091 ?            ?                   
# 
_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                        9HSB 
_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           N 
# 
_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 (5-methyl-3-isoxazolyl)methylamine
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Cholinephosphate cytidylyltransferase' 20810.123 1   2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn '(5-methyl-1,2-oxazol-3-yl)methanamine' 112.130   2   ?        ? ? ?                                            
3 water       nat water                                   18.015    125 ?        ? ? ?                                            
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYEDY
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYEDY
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(5-methyl-1,2-oxazol-3-yl)methanamine' A1IWR 
3 water                                   HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
1 180 TYR n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   180 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'ctP, MAL13P1.86' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IWR non-polymer         . '(5-methyl-1,2-oxazol-3-yl)methanamine' ? 'C5 H8 N2 O'     112.130 
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  615 615 SER SER 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 143 738 738 GLU GLU A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 773 GLU GLU A . n 
A 1 179 ASP 179 774 774 ASP ASP A . n 
A 1 180 TYR 180 775 775 TYR TYR A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IWR 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IWR 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1IWR 1   801  801 A1IWR LIG A . 
C 2 A1IWR 1   802  802 A1IWR LIG A . 
D 3 HOH   1   901  27  HOH   HOH A . 
D 3 HOH   2   902  119 HOH   HOH A . 
D 3 HOH   3   903  111 HOH   HOH A . 
D 3 HOH   4   904  82  HOH   HOH A . 
D 3 HOH   5   905  84  HOH   HOH A . 
D 3 HOH   6   906  81  HOH   HOH A . 
D 3 HOH   7   907  110 HOH   HOH A . 
D 3 HOH   8   908  62  HOH   HOH A . 
D 3 HOH   9   909  98  HOH   HOH A . 
D 3 HOH   10  910  46  HOH   HOH A . 
D 3 HOH   11  911  10  HOH   HOH A . 
D 3 HOH   12  912  57  HOH   HOH A . 
D 3 HOH   13  913  131 HOH   HOH A . 
D 3 HOH   14  914  43  HOH   HOH A . 
D 3 HOH   15  915  58  HOH   HOH A . 
D 3 HOH   16  916  30  HOH   HOH A . 
D 3 HOH   17  917  140 HOH   HOH A . 
D 3 HOH   18  918  14  HOH   HOH A . 
D 3 HOH   19  919  19  HOH   HOH A . 
D 3 HOH   20  920  32  HOH   HOH A . 
D 3 HOH   21  921  92  HOH   HOH A . 
D 3 HOH   22  922  12  HOH   HOH A . 
D 3 HOH   23  923  15  HOH   HOH A . 
D 3 HOH   24  924  105 HOH   HOH A . 
D 3 HOH   25  925  49  HOH   HOH A . 
D 3 HOH   26  926  24  HOH   HOH A . 
D 3 HOH   27  927  4   HOH   HOH A . 
D 3 HOH   28  928  60  HOH   HOH A . 
D 3 HOH   29  929  99  HOH   HOH A . 
D 3 HOH   30  930  7   HOH   HOH A . 
D 3 HOH   31  931  114 HOH   HOH A . 
D 3 HOH   32  932  6   HOH   HOH A . 
D 3 HOH   33  933  56  HOH   HOH A . 
D 3 HOH   34  934  35  HOH   HOH A . 
D 3 HOH   35  935  112 HOH   HOH A . 
D 3 HOH   36  936  16  HOH   HOH A . 
D 3 HOH   37  937  36  HOH   HOH A . 
D 3 HOH   38  938  109 HOH   HOH A . 
D 3 HOH   39  939  2   HOH   HOH A . 
D 3 HOH   40  940  90  HOH   HOH A . 
D 3 HOH   41  941  103 HOH   HOH A . 
D 3 HOH   42  942  11  HOH   HOH A . 
D 3 HOH   43  943  39  HOH   HOH A . 
D 3 HOH   44  944  9   HOH   HOH A . 
D 3 HOH   45  945  69  HOH   HOH A . 
D 3 HOH   46  946  18  HOH   HOH A . 
D 3 HOH   47  947  28  HOH   HOH A . 
D 3 HOH   48  948  34  HOH   HOH A . 
D 3 HOH   49  949  102 HOH   HOH A . 
D 3 HOH   50  950  21  HOH   HOH A . 
D 3 HOH   51  951  41  HOH   HOH A . 
D 3 HOH   52  952  113 HOH   HOH A . 
D 3 HOH   53  953  116 HOH   HOH A . 
D 3 HOH   54  954  33  HOH   HOH A . 
D 3 HOH   55  955  38  HOH   HOH A . 
D 3 HOH   56  956  25  HOH   HOH A . 
D 3 HOH   57  957  128 HOH   HOH A . 
D 3 HOH   58  958  95  HOH   HOH A . 
D 3 HOH   59  959  29  HOH   HOH A . 
D 3 HOH   60  960  17  HOH   HOH A . 
D 3 HOH   61  961  93  HOH   HOH A . 
D 3 HOH   62  962  67  HOH   HOH A . 
D 3 HOH   63  963  20  HOH   HOH A . 
D 3 HOH   64  964  63  HOH   HOH A . 
D 3 HOH   65  965  1   HOH   HOH A . 
D 3 HOH   66  966  3   HOH   HOH A . 
D 3 HOH   67  967  107 HOH   HOH A . 
D 3 HOH   68  968  48  HOH   HOH A . 
D 3 HOH   69  969  13  HOH   HOH A . 
D 3 HOH   70  970  26  HOH   HOH A . 
D 3 HOH   71  971  31  HOH   HOH A . 
D 3 HOH   72  972  61  HOH   HOH A . 
D 3 HOH   73  973  40  HOH   HOH A . 
D 3 HOH   74  974  37  HOH   HOH A . 
D 3 HOH   75  975  55  HOH   HOH A . 
D 3 HOH   76  976  74  HOH   HOH A . 
D 3 HOH   77  977  75  HOH   HOH A . 
D 3 HOH   78  978  5   HOH   HOH A . 
D 3 HOH   79  979  54  HOH   HOH A . 
D 3 HOH   80  980  79  HOH   HOH A . 
D 3 HOH   81  981  80  HOH   HOH A . 
D 3 HOH   82  982  77  HOH   HOH A . 
D 3 HOH   83  983  8   HOH   HOH A . 
D 3 HOH   84  984  51  HOH   HOH A . 
D 3 HOH   85  985  89  HOH   HOH A . 
D 3 HOH   86  986  45  HOH   HOH A . 
D 3 HOH   87  987  64  HOH   HOH A . 
D 3 HOH   88  988  87  HOH   HOH A . 
D 3 HOH   89  989  83  HOH   HOH A . 
D 3 HOH   90  990  23  HOH   HOH A . 
D 3 HOH   91  991  68  HOH   HOH A . 
D 3 HOH   92  992  59  HOH   HOH A . 
D 3 HOH   93  993  86  HOH   HOH A . 
D 3 HOH   94  994  85  HOH   HOH A . 
D 3 HOH   95  995  76  HOH   HOH A . 
D 3 HOH   96  996  22  HOH   HOH A . 
D 3 HOH   97  997  133 HOH   HOH A . 
D 3 HOH   98  998  78  HOH   HOH A . 
D 3 HOH   99  999  52  HOH   HOH A . 
D 3 HOH   100 1000 115 HOH   HOH A . 
D 3 HOH   101 1001 65  HOH   HOH A . 
D 3 HOH   102 1002 70  HOH   HOH A . 
D 3 HOH   103 1003 129 HOH   HOH A . 
D 3 HOH   104 1004 88  HOH   HOH A . 
D 3 HOH   105 1005 135 HOH   HOH A . 
D 3 HOH   106 1006 47  HOH   HOH A . 
D 3 HOH   107 1007 73  HOH   HOH A . 
D 3 HOH   108 1008 53  HOH   HOH A . 
D 3 HOH   109 1009 44  HOH   HOH A . 
D 3 HOH   110 1010 120 HOH   HOH A . 
D 3 HOH   111 1011 130 HOH   HOH A . 
D 3 HOH   112 1012 132 HOH   HOH A . 
D 3 HOH   113 1013 72  HOH   HOH A . 
D 3 HOH   114 1014 50  HOH   HOH A . 
D 3 HOH   115 1015 66  HOH   HOH A . 
D 3 HOH   116 1016 104 HOH   HOH A . 
D 3 HOH   117 1017 136 HOH   HOH A . 
D 3 HOH   118 1018 91  HOH   HOH A . 
D 3 HOH   119 1019 96  HOH   HOH A . 
D 3 HOH   120 1020 127 HOH   HOH A . 
D 3 HOH   121 1021 101 HOH   HOH A . 
D 3 HOH   122 1022 138 HOH   HOH A . 
D 3 HOH   123 1023 100 HOH   HOH A . 
D 3 HOH   124 1024 71  HOH   HOH A . 
D 3 HOH   125 1025 108 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 SER 615 ? OG  ? A SER 38  OG  
2  1 Y 1 A LYS 616 ? CG  ? A LYS 39  CG  
3  1 Y 1 A LYS 616 ? CD  ? A LYS 39  CD  
4  1 Y 1 A LYS 616 ? CE  ? A LYS 39  CE  
5  1 Y 1 A LYS 616 ? NZ  ? A LYS 39  NZ  
6  1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
7  1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
8  1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
9  1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
10 1 Y 1 A GLN 665 ? CG  ? A GLN 88  CG  
11 1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
12 1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
13 1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
14 1 Y 1 A LYS 703 ? CG  ? A LYS 126 CG  
15 1 Y 1 A LYS 703 ? CD  ? A LYS 126 CD  
16 1 Y 1 A LYS 703 ? CE  ? A LYS 126 CE  
17 1 Y 1 A LYS 703 ? NZ  ? A LYS 126 NZ  
18 1 Y 1 A HIS 709 ? CG  ? A HIS 132 CG  
19 1 Y 1 A HIS 709 ? ND1 ? A HIS 132 ND1 
20 1 Y 1 A HIS 709 ? CD2 ? A HIS 132 CD2 
21 1 Y 1 A HIS 709 ? CE1 ? A HIS 132 CE1 
22 1 Y 1 A HIS 709 ? NE2 ? A HIS 132 NE2 
23 1 Y 1 A GLU 738 ? CG  ? A GLU 143 CG  
24 1 Y 1 A GLU 738 ? CD  ? A GLU 143 CD  
25 1 Y 1 A GLU 738 ? OE1 ? A GLU 143 OE1 
26 1 Y 1 A GLU 738 ? OE2 ? A GLU 143 OE2 
27 1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
28 1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
29 1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
# 
_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                     9HSB 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.441 
_cell.length_a_esd                 ? 
_cell.length_b                     68.195 
_cell.length_b_esd                 ? 
_cell.length_c                     117.016 
_cell.length_c_esd                 ? 
_cell.volume                       402514.445 
_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                         9HSB 
_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                   9HSB 
_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             2.42 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.13 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% guanidine HCL 5-6-7% Glycerol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-02-20 
_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   0.9655 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9655 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          28.69 
_reflns.entry_id                                       9HSB 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.547 
_reflns.d_resolution_low                               58.51 
_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                                     33059 
_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                           71.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.050 
_reflns.pdbx_Rpim_I_all                                0.025 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.044 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.547 
_reflns_shell.d_res_low                                     1.663 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           4897 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1076 
_reflns_shell.percent_possible_obs                          18.6 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               4.6 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.7 
_reflns_shell.pdbx_Rrim_I_all                               0.947 
_reflns_shell.pdbx_Rpim_I_all                               0.431 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.839 
_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                               37.70 
_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                                 9HSB 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.81 
_refine.ls_d_res_low                             58.51 
_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                     33059 
_refine.ls_number_reflns_R_free                  1614 
_refine.ls_number_reflns_R_work                  31445 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.81 
_refine.ls_percent_reflns_R_free                 4.88 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1880 
_refine.ls_R_factor_R_free                       0.2140 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1866 
_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                 26.5921 
_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                            0.2644 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.81 
_refine_hist.d_res_low                        58.51 
_refine_hist.number_atoms_solvent             125 
_refine_hist.number_atoms_total               1224 
_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        1083 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         16 
_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' ? 0.0062  ? 1120 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7205  ? 1520 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0553  ? 174  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0063  ? 190  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.8288 ? 399  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.81 1.86  . . 158 2717 97.66 . . . . 0.3515 . . . . . . . . . . . 0.4230 
'X-RAY DIFFRACTION' 1.86 1.92  . . 136 2653 94.32 . . . . 0.2971 . . . . . . . . . . . 0.3688 
'X-RAY DIFFRACTION' 1.92 1.99  . . 144 2728 96.02 . . . . 0.2628 . . . . . . . . . . . 0.2775 
'X-RAY DIFFRACTION' 1.99 2.07  . . 150 2668 94.66 . . . . 0.2330 . . . . . . . . . . . 0.2236 
'X-RAY DIFFRACTION' 2.07 2.16  . . 128 2697 95.70 . . . . 0.2153 . . . . . . . . . . . 0.2707 
'X-RAY DIFFRACTION' 2.17 2.28  . . 111 2643 92.39 . . . . 0.2068 . . . . . . . . . . . 0.2583 
'X-RAY DIFFRACTION' 2.28 2.42  . . 135 2641 93.22 . . . . 0.2115 . . . . . . . . . . . 0.2672 
'X-RAY DIFFRACTION' 2.42 2.61  . . 118 2700 95.95 . . . . 0.1860 . . . . . . . . . . . 0.2031 
'X-RAY DIFFRACTION' 2.61 2.87  . . 112 2122 74.79 . . . . 0.2073 . . . . . . . . . . . 0.1927 
'X-RAY DIFFRACTION' 2.87 3.29  . . 125 2689 94.78 . . . . 0.1845 . . . . . . . . . . . 0.2437 
'X-RAY DIFFRACTION' 3.29 4.14  . . 165 2537 91.47 . . . . 0.1530 . . . . . . . . . . . 0.1652 
'X-RAY DIFFRACTION' 4.14 58.51 . . 132 2650 93.04 . . . . 0.1507 . . . . . . . . . . . 0.1844 
# 
_struct.entry_id                     9HSB 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (5-methyl-3-isoxazolyl)methylamine
;
_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        9HSB 
_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
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSB 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 180 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  775 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       775 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSB GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSB HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSB MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSB ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSB ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSB ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSB ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSB ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSB ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSB ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSB ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSB ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSB ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSB ?   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)' 2210  ? 
1 MORE         -7    ? 
1 'SSA (A^2)'  15210 ? 
# 
_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_455 -x-1,-y,z -1.0000000000 0.0000000000 0.0000000000 -50.4410000000 0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       3.29 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O GLU A 108 ? O GLU A 685 N VAL A 74  ? N VAL A 651 
AA1 2 3 O THR A 71  ? O THR A 648 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                   9HSB 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 OD1 A ASP 774 ? ? O A HOH 901  ? ? 1.91 
2 1 O   A HOH 988 ? ? O A HOH 991  ? ? 2.05 
3 1 OE1 A GLU 672 ? ? O A HOH 902  ? ? 2.10 
4 1 O   A HOH 979 ? ? O A HOH 1012 ? ? 2.16 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     978 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     998 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   7_454 
_pdbx_validate_symm_contact.dist              2.13 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 663 ? ? -132.29 -52.50 
2 1 ASP A 739 ? ? 60.33   89.22  
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -18.379237882  -8.19968969274 -23.9012362111 0.206181059318 ? 0.0336447992266  ? -0.0274853605691  
? 0.195102834973 ? 0.047213579326    ? 0.200050268008 ? 3.89689416591 ? -1.2047315346   ? -1.37907756787 ? 6.07691101357 ? 
4.47712523508    ? 3.7484501945  ? 0.0897649904555  ? -0.0475282525302 ? -0.0194348628987 ? -0.0320229740682 ? -0.049114985761  ? 
-0.242808913696  ? -0.0280721228733 ? 0.00644168825693 ? -0.0359901108805  ? 
2 'X-RAY DIFFRACTION' ? refined -23.9526840568 -14.3723499612 -22.7243704021 0.22410782178  ? -0.0165641075329 ? -0.02739825041    
? 0.190669344387 ? -0.00780588121087 ? 0.184774466229 ? 3.55323038888 ? -0.818161816535 ? -1.2701114343  ? 4.37743694532 ? 
-0.0496197016271 ? 2.48659551423 ? -0.0935155684053 ? -0.0577377252141 ? -0.292376987243  ? 0.236476717143   ? -0.0339224554405 ? 
0.0307798893096  ? 0.34332825554    ? 0.0800180851247  ? 0.12085393647     ? 
3 'X-RAY DIFFRACTION' ? refined -14.1318075324 -17.7745942923 -27.5784155908 0.436758620173 ? 0.0472971104409  ? -0.0510123209508  
? 0.311746415094 ? -0.021649460462   ? 0.26985318167  ? 8.15240972098 ? 0.0576517081113 ? 1.24418092461  ? 4.51029171829 ? 
-0.644667864     ? 6.39572839293 ? 0.0617993556927  ? -0.768799744035  ? 0.0295115305676  ? 0.612573047828   ? -0.174647537494  ? 
-0.394037970143  ? -0.15549231467   ? -0.0191876443815 ? -0.00725170836188 ? 
4 'X-RAY DIFFRACTION' ? refined -8.00589582595 -24.3034527938 -23.4857296395 0.565421029496 ? 0.0380903226426  ? 0.0143037204948   
? 0.492554704553 ? 0.0189284288516   ? 0.358740343798 ? 2.93949364822 ? 1.18884948544   ? -3.38853962235 ? 2.47561429311 ? 
1.41003972637    ? 9.38794489584 ? 0.0385016313036  ? -1.80216136534   ? -0.549369825145  ? 1.86154333259    ? -0.325993476585  ? 
0.30516317164    ? 0.108805294609   ? 0.183939425019   ? 0.252508734582    ? 
5 'X-RAY DIFFRACTION' ? refined -10.4756677427 -9.93770286186 -20.8117148799 0.382562267858 ? 0.055271481678   ? -0.0619963207598  
? 0.390179683841 ? 0.00158598432524  ? 0.272314360813 ? 6.56476822682 ? -5.95948631334  ? -6.74070633157 ? 5.40278559376 ? 
6.11360411611    ? 6.9004642283  ? -0.284410214212  ? -0.710290806274  ? 0.447473510151   ? 0.602748123614   ? 0.793597637172   ? 
-0.552721179031  ? 0.522102370396   ? 1.14457655758    ? -0.41905153787    ? 
6 'X-RAY DIFFRACTION' ? refined -19.1075224315 5.61466278472  0.560831225946 0.535496609681 ? -0.111101929196  ? -0.00407694968032 
? 0.447132828367 ? 0.0349338722336   ? 0.291556796876 ? 3.0424407459  ? 1.49685566122   ? 3.23428117247  ? 3.41851617016 ? 
4.02054081269    ? 7.60657510329 ? -0.0969325252318 ? -0.231845289221  ? 0.321353694791   ? 0.339076835009   ? -0.206530059209  ? 
-0.0689834278351 ? -0.742487313765  ? 0.916849437414   ? 0.360595762346    ? 
# 
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 615 ? A 27  A 641 ? ? 
;chain 'A' and (resid 615 through 641 )
;
2 'X-RAY DIFFRACTION' 2 A 28  A 642 ? A 87  A 701 ? ? 
;chain 'A' and (resid 642 through 701 )
;
3 'X-RAY DIFFRACTION' 3 A 88  A 702 ? A 98  A 738 ? ? 
;chain 'A' and (resid 702 through 738 )
;
4 'X-RAY DIFFRACTION' 4 A 99  A 739 ? A 106 A 746 ? ? 
;chain 'A' and (resid 739 through 746 )
;
5 'X-RAY DIFFRACTION' 5 A 107 A 747 ? A 120 A 760 ? ? 
;chain 'A' and (resid 747 through 760 )
;
6 'X-RAY DIFFRACTION' 6 A 121 A 761 ? A 135 A 775 ? ? 
;chain 'A' and (resid 761 through 775 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A ILE 730 ? A ILE 135 
39 1 Y 1 A PRO 731 ? A PRO 136 
40 1 Y 1 A TYR 732 ? A TYR 137 
41 1 Y 1 A ALA 733 ? A ALA 138 
42 1 Y 1 A ASN 734 ? A ASN 139 
43 1 Y 1 A ASN 735 ? A ASN 140 
44 1 Y 1 A GLN 736 ? A GLN 141 
45 1 Y 1 A LYS 737 ? A LYS 142 
# 
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 
A1IWR C01  C N N 1   
A1IWR C02  C Y N 2   
A1IWR C03  C Y N 3   
A1IWR C04  C Y N 4   
A1IWR C07  C N N 5   
A1IWR N05  N Y N 6   
A1IWR N08  N N N 7   
A1IWR O06  O Y N 8   
A1IWR H011 H N N 9   
A1IWR H013 H N N 10  
A1IWR H012 H N N 11  
A1IWR H031 H N N 12  
A1IWR H071 H N N 13  
A1IWR H072 H N N 14  
A1IWR H1   H N N 15  
A1IWR H082 H N N 16  
ALA   N    N N N 17  
ALA   CA   C N S 18  
ALA   C    C N N 19  
ALA   O    O N N 20  
ALA   CB   C N N 21  
ALA   OXT  O N N 22  
ALA   H    H N N 23  
ALA   H2   H N N 24  
ALA   HA   H N N 25  
ALA   HB1  H N N 26  
ALA   HB2  H N N 27  
ALA   HB3  H N N 28  
ALA   HXT  H N N 29  
ARG   N    N N N 30  
ARG   CA   C N S 31  
ARG   C    C N N 32  
ARG   O    O N N 33  
ARG   CB   C N N 34  
ARG   CG   C N N 35  
ARG   CD   C N N 36  
ARG   NE   N N N 37  
ARG   CZ   C N N 38  
ARG   NH1  N N N 39  
ARG   NH2  N N N 40  
ARG   OXT  O N N 41  
ARG   H    H N N 42  
ARG   H2   H N N 43  
ARG   HA   H N N 44  
ARG   HB2  H N N 45  
ARG   HB3  H N N 46  
ARG   HG2  H N N 47  
ARG   HG3  H N N 48  
ARG   HD2  H N N 49  
ARG   HD3  H N N 50  
ARG   HE   H N N 51  
ARG   HH11 H N N 52  
ARG   HH12 H N N 53  
ARG   HH21 H N N 54  
ARG   HH22 H N N 55  
ARG   HXT  H N N 56  
ASN   N    N N N 57  
ASN   CA   C N S 58  
ASN   C    C N N 59  
ASN   O    O N N 60  
ASN   CB   C N N 61  
ASN   CG   C N N 62  
ASN   OD1  O N N 63  
ASN   ND2  N N N 64  
ASN   OXT  O N N 65  
ASN   H    H N N 66  
ASN   H2   H N N 67  
ASN   HA   H N N 68  
ASN   HB2  H N N 69  
ASN   HB3  H N N 70  
ASN   HD21 H N N 71  
ASN   HD22 H N N 72  
ASN   HXT  H N N 73  
ASP   N    N N N 74  
ASP   CA   C N S 75  
ASP   C    C N N 76  
ASP   O    O N N 77  
ASP   CB   C N N 78  
ASP   CG   C N N 79  
ASP   OD1  O N N 80  
ASP   OD2  O N N 81  
ASP   OXT  O N N 82  
ASP   H    H N N 83  
ASP   H2   H N N 84  
ASP   HA   H N N 85  
ASP   HB2  H N N 86  
ASP   HB3  H N N 87  
ASP   HD2  H N N 88  
ASP   HXT  H N N 89  
CYS   N    N N N 90  
CYS   CA   C N R 91  
CYS   C    C N N 92  
CYS   O    O N N 93  
CYS   CB   C N N 94  
CYS   SG   S N N 95  
CYS   OXT  O N N 96  
CYS   H    H N N 97  
CYS   H2   H N N 98  
CYS   HA   H N N 99  
CYS   HB2  H N N 100 
CYS   HB3  H N N 101 
CYS   HG   H N N 102 
CYS   HXT  H N N 103 
GLN   N    N N N 104 
GLN   CA   C N S 105 
GLN   C    C N N 106 
GLN   O    O N N 107 
GLN   CB   C N N 108 
GLN   CG   C N N 109 
GLN   CD   C N N 110 
GLN   OE1  O N N 111 
GLN   NE2  N N N 112 
GLN   OXT  O N N 113 
GLN   H    H N N 114 
GLN   H2   H N N 115 
GLN   HA   H N N 116 
GLN   HB2  H N N 117 
GLN   HB3  H N N 118 
GLN   HG2  H N N 119 
GLN   HG3  H N N 120 
GLN   HE21 H N N 121 
GLN   HE22 H N N 122 
GLN   HXT  H N N 123 
GLU   N    N N N 124 
GLU   CA   C N S 125 
GLU   C    C N N 126 
GLU   O    O N N 127 
GLU   CB   C N N 128 
GLU   CG   C N N 129 
GLU   CD   C N N 130 
GLU   OE1  O N N 131 
GLU   OE2  O N N 132 
GLU   OXT  O N N 133 
GLU   H    H N N 134 
GLU   H2   H N N 135 
GLU   HA   H N N 136 
GLU   HB2  H N N 137 
GLU   HB3  H N N 138 
GLU   HG2  H N N 139 
GLU   HG3  H N N 140 
GLU   HE2  H N N 141 
GLU   HXT  H N N 142 
GLY   N    N N N 143 
GLY   CA   C N N 144 
GLY   C    C N N 145 
GLY   O    O N N 146 
GLY   OXT  O N N 147 
GLY   H    H N N 148 
GLY   H2   H N N 149 
GLY   HA2  H N N 150 
GLY   HA3  H N N 151 
GLY   HXT  H N N 152 
HIS   N    N N N 153 
HIS   CA   C N S 154 
HIS   C    C N N 155 
HIS   O    O N N 156 
HIS   CB   C N N 157 
HIS   CG   C Y N 158 
HIS   ND1  N Y N 159 
HIS   CD2  C Y N 160 
HIS   CE1  C Y N 161 
HIS   NE2  N Y N 162 
HIS   OXT  O N N 163 
HIS   H    H N N 164 
HIS   H2   H N N 165 
HIS   HA   H N N 166 
HIS   HB2  H N N 167 
HIS   HB3  H N N 168 
HIS   HD1  H N N 169 
HIS   HD2  H N N 170 
HIS   HE1  H N N 171 
HIS   HE2  H N N 172 
HIS   HXT  H N N 173 
HOH   O    O N N 174 
HOH   H1   H N N 175 
HOH   H2   H N N 176 
ILE   N    N N N 177 
ILE   CA   C N S 178 
ILE   C    C N N 179 
ILE   O    O N N 180 
ILE   CB   C N S 181 
ILE   CG1  C N N 182 
ILE   CG2  C N N 183 
ILE   CD1  C N N 184 
ILE   OXT  O N N 185 
ILE   H    H N N 186 
ILE   H2   H N N 187 
ILE   HA   H N N 188 
ILE   HB   H N N 189 
ILE   HG12 H N N 190 
ILE   HG13 H N N 191 
ILE   HG21 H N N 192 
ILE   HG22 H N N 193 
ILE   HG23 H N N 194 
ILE   HD11 H N N 195 
ILE   HD12 H N N 196 
ILE   HD13 H N N 197 
ILE   HXT  H N N 198 
LEU   N    N N N 199 
LEU   CA   C N S 200 
LEU   C    C N N 201 
LEU   O    O N N 202 
LEU   CB   C N N 203 
LEU   CG   C N N 204 
LEU   CD1  C N N 205 
LEU   CD2  C N N 206 
LEU   OXT  O N N 207 
LEU   H    H N N 208 
LEU   H2   H N N 209 
LEU   HA   H N N 210 
LEU   HB2  H N N 211 
LEU   HB3  H N N 212 
LEU   HG   H N N 213 
LEU   HD11 H N N 214 
LEU   HD12 H N N 215 
LEU   HD13 H N N 216 
LEU   HD21 H N N 217 
LEU   HD22 H N N 218 
LEU   HD23 H N N 219 
LEU   HXT  H N N 220 
LYS   N    N N N 221 
LYS   CA   C N S 222 
LYS   C    C N N 223 
LYS   O    O N N 224 
LYS   CB   C N N 225 
LYS   CG   C N N 226 
LYS   CD   C N N 227 
LYS   CE   C N N 228 
LYS   NZ   N N N 229 
LYS   OXT  O N N 230 
LYS   H    H N N 231 
LYS   H2   H N N 232 
LYS   HA   H N N 233 
LYS   HB2  H N N 234 
LYS   HB3  H N N 235 
LYS   HG2  H N N 236 
LYS   HG3  H N N 237 
LYS   HD2  H N N 238 
LYS   HD3  H N N 239 
LYS   HE2  H N N 240 
LYS   HE3  H N N 241 
LYS   HZ1  H N N 242 
LYS   HZ2  H N N 243 
LYS   HZ3  H N N 244 
LYS   HXT  H N N 245 
MET   N    N N N 246 
MET   CA   C N S 247 
MET   C    C N N 248 
MET   O    O N N 249 
MET   CB   C N N 250 
MET   CG   C N N 251 
MET   SD   S N N 252 
MET   CE   C N N 253 
MET   OXT  O N N 254 
MET   H    H N N 255 
MET   H2   H N N 256 
MET   HA   H N N 257 
MET   HB2  H N N 258 
MET   HB3  H N N 259 
MET   HG2  H N N 260 
MET   HG3  H N N 261 
MET   HE1  H N N 262 
MET   HE2  H N N 263 
MET   HE3  H N N 264 
MET   HXT  H N N 265 
PHE   N    N N N 266 
PHE   CA   C N S 267 
PHE   C    C N N 268 
PHE   O    O N N 269 
PHE   CB   C N N 270 
PHE   CG   C Y N 271 
PHE   CD1  C Y N 272 
PHE   CD2  C Y N 273 
PHE   CE1  C Y N 274 
PHE   CE2  C Y N 275 
PHE   CZ   C Y N 276 
PHE   OXT  O N N 277 
PHE   H    H N N 278 
PHE   H2   H N N 279 
PHE   HA   H N N 280 
PHE   HB2  H N N 281 
PHE   HB3  H N N 282 
PHE   HD1  H N N 283 
PHE   HD2  H N N 284 
PHE   HE1  H N N 285 
PHE   HE2  H N N 286 
PHE   HZ   H N N 287 
PHE   HXT  H N N 288 
PRO   N    N N N 289 
PRO   CA   C N S 290 
PRO   C    C N N 291 
PRO   O    O N N 292 
PRO   CB   C N N 293 
PRO   CG   C N N 294 
PRO   CD   C N N 295 
PRO   OXT  O N N 296 
PRO   H    H N N 297 
PRO   HA   H N N 298 
PRO   HB2  H N N 299 
PRO   HB3  H N N 300 
PRO   HG2  H N N 301 
PRO   HG3  H N N 302 
PRO   HD2  H N N 303 
PRO   HD3  H N N 304 
PRO   HXT  H N N 305 
SER   N    N N N 306 
SER   CA   C N S 307 
SER   C    C N N 308 
SER   O    O N N 309 
SER   CB   C N N 310 
SER   OG   O N N 311 
SER   OXT  O N N 312 
SER   H    H N N 313 
SER   H2   H N N 314 
SER   HA   H N N 315 
SER   HB2  H N N 316 
SER   HB3  H N N 317 
SER   HG   H N N 318 
SER   HXT  H N N 319 
THR   N    N N N 320 
THR   CA   C N S 321 
THR   C    C N N 322 
THR   O    O N N 323 
THR   CB   C N R 324 
THR   OG1  O N N 325 
THR   CG2  C N N 326 
THR   OXT  O N N 327 
THR   H    H N N 328 
THR   H2   H N N 329 
THR   HA   H N N 330 
THR   HB   H N N 331 
THR   HG1  H N N 332 
THR   HG21 H N N 333 
THR   HG22 H N N 334 
THR   HG23 H N N 335 
THR   HXT  H N N 336 
TRP   N    N N N 337 
TRP   CA   C N S 338 
TRP   C    C N N 339 
TRP   O    O N N 340 
TRP   CB   C N N 341 
TRP   CG   C Y N 342 
TRP   CD1  C Y N 343 
TRP   CD2  C Y N 344 
TRP   NE1  N Y N 345 
TRP   CE2  C Y N 346 
TRP   CE3  C Y N 347 
TRP   CZ2  C Y N 348 
TRP   CZ3  C Y N 349 
TRP   CH2  C Y N 350 
TRP   OXT  O N N 351 
TRP   H    H N N 352 
TRP   H2   H N N 353 
TRP   HA   H N N 354 
TRP   HB2  H N N 355 
TRP   HB3  H N N 356 
TRP   HD1  H N N 357 
TRP   HE1  H N N 358 
TRP   HE3  H N N 359 
TRP   HZ2  H N N 360 
TRP   HZ3  H N N 361 
TRP   HH2  H N N 362 
TRP   HXT  H N N 363 
TYR   N    N N N 364 
TYR   CA   C N S 365 
TYR   C    C N N 366 
TYR   O    O N N 367 
TYR   CB   C N N 368 
TYR   CG   C Y N 369 
TYR   CD1  C Y N 370 
TYR   CD2  C Y N 371 
TYR   CE1  C Y N 372 
TYR   CE2  C Y N 373 
TYR   CZ   C Y N 374 
TYR   OH   O N N 375 
TYR   OXT  O N N 376 
TYR   H    H N N 377 
TYR   H2   H N N 378 
TYR   HA   H N N 379 
TYR   HB2  H N N 380 
TYR   HB3  H N N 381 
TYR   HD1  H N N 382 
TYR   HD2  H N N 383 
TYR   HE1  H N N 384 
TYR   HE2  H N N 385 
TYR   HH   H N N 386 
TYR   HXT  H N N 387 
VAL   N    N N N 388 
VAL   CA   C N S 389 
VAL   C    C N N 390 
VAL   O    O N N 391 
VAL   CB   C N N 392 
VAL   CG1  C N N 393 
VAL   CG2  C N N 394 
VAL   OXT  O N N 395 
VAL   H    H N N 396 
VAL   H2   H N N 397 
VAL   HA   H N N 398 
VAL   HB   H N N 399 
VAL   HG11 H N N 400 
VAL   HG12 H N N 401 
VAL   HG13 H N N 402 
VAL   HG21 H N N 403 
VAL   HG22 H N N 404 
VAL   HG23 H N N 405 
VAL   HXT  H N N 406 
# 
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 
A1IWR C02 C01  sing N N 1   
A1IWR C03 C02  doub Y N 2   
A1IWR C04 C03  sing Y N 3   
A1IWR O06 N05  sing Y N 4   
A1IWR N05 C04  doub Y N 5   
A1IWR C07 C04  sing N N 6   
A1IWR N08 C07  sing N N 7   
A1IWR C02 O06  sing Y N 8   
A1IWR C01 H011 sing N N 9   
A1IWR C01 H013 sing N N 10  
A1IWR C01 H012 sing N N 11  
A1IWR C03 H031 sing N N 12  
A1IWR C07 H071 sing N N 13  
A1IWR C07 H072 sing N N 14  
A1IWR N08 H1   sing N N 15  
A1IWR N08 H082 sing N N 16  
ALA   N   CA   sing N N 17  
ALA   N   H    sing N N 18  
ALA   N   H2   sing N N 19  
ALA   CA  C    sing N N 20  
ALA   CA  CB   sing N N 21  
ALA   CA  HA   sing N N 22  
ALA   C   O    doub N N 23  
ALA   C   OXT  sing N N 24  
ALA   CB  HB1  sing N N 25  
ALA   CB  HB2  sing N N 26  
ALA   CB  HB3  sing N N 27  
ALA   OXT HXT  sing N N 28  
ARG   N   CA   sing N N 29  
ARG   N   H    sing N N 30  
ARG   N   H2   sing N N 31  
ARG   CA  C    sing N N 32  
ARG   CA  CB   sing N N 33  
ARG   CA  HA   sing N N 34  
ARG   C   O    doub N N 35  
ARG   C   OXT  sing N N 36  
ARG   CB  CG   sing N N 37  
ARG   CB  HB2  sing N N 38  
ARG   CB  HB3  sing N N 39  
ARG   CG  CD   sing N N 40  
ARG   CG  HG2  sing N N 41  
ARG   CG  HG3  sing N N 42  
ARG   CD  NE   sing N N 43  
ARG   CD  HD2  sing N N 44  
ARG   CD  HD3  sing N N 45  
ARG   NE  CZ   sing N N 46  
ARG   NE  HE   sing N N 47  
ARG   CZ  NH1  sing N N 48  
ARG   CZ  NH2  doub N N 49  
ARG   NH1 HH11 sing N N 50  
ARG   NH1 HH12 sing N N 51  
ARG   NH2 HH21 sing N N 52  
ARG   NH2 HH22 sing N N 53  
ARG   OXT HXT  sing N N 54  
ASN   N   CA   sing N N 55  
ASN   N   H    sing N N 56  
ASN   N   H2   sing N N 57  
ASN   CA  C    sing N N 58  
ASN   CA  CB   sing N N 59  
ASN   CA  HA   sing N N 60  
ASN   C   O    doub N N 61  
ASN   C   OXT  sing N N 62  
ASN   CB  CG   sing N N 63  
ASN   CB  HB2  sing N N 64  
ASN   CB  HB3  sing N N 65  
ASN   CG  OD1  doub N N 66  
ASN   CG  ND2  sing N N 67  
ASN   ND2 HD21 sing N N 68  
ASN   ND2 HD22 sing N N 69  
ASN   OXT HXT  sing N N 70  
ASP   N   CA   sing N N 71  
ASP   N   H    sing N N 72  
ASP   N   H2   sing N N 73  
ASP   CA  C    sing N N 74  
ASP   CA  CB   sing N N 75  
ASP   CA  HA   sing N N 76  
ASP   C   O    doub N N 77  
ASP   C   OXT  sing N N 78  
ASP   CB  CG   sing N N 79  
ASP   CB  HB2  sing N N 80  
ASP   CB  HB3  sing N N 81  
ASP   CG  OD1  doub N N 82  
ASP   CG  OD2  sing N N 83  
ASP   OD2 HD2  sing N N 84  
ASP   OXT HXT  sing N N 85  
CYS   N   CA   sing N N 86  
CYS   N   H    sing N N 87  
CYS   N   H2   sing N N 88  
CYS   CA  C    sing N N 89  
CYS   CA  CB   sing N N 90  
CYS   CA  HA   sing N N 91  
CYS   C   O    doub N N 92  
CYS   C   OXT  sing N N 93  
CYS   CB  SG   sing N N 94  
CYS   CB  HB2  sing N N 95  
CYS   CB  HB3  sing N N 96  
CYS   SG  HG   sing N N 97  
CYS   OXT HXT  sing N N 98  
GLN   N   CA   sing N N 99  
GLN   N   H    sing N N 100 
GLN   N   H2   sing N N 101 
GLN   CA  C    sing N N 102 
GLN   CA  CB   sing N N 103 
GLN   CA  HA   sing N N 104 
GLN   C   O    doub N N 105 
GLN   C   OXT  sing N N 106 
GLN   CB  CG   sing N N 107 
GLN   CB  HB2  sing N N 108 
GLN   CB  HB3  sing N N 109 
GLN   CG  CD   sing N N 110 
GLN   CG  HG2  sing N N 111 
GLN   CG  HG3  sing N N 112 
GLN   CD  OE1  doub N N 113 
GLN   CD  NE2  sing N N 114 
GLN   NE2 HE21 sing N N 115 
GLN   NE2 HE22 sing N N 116 
GLN   OXT HXT  sing N N 117 
GLU   N   CA   sing N N 118 
GLU   N   H    sing N N 119 
GLU   N   H2   sing N N 120 
GLU   CA  C    sing N N 121 
GLU   CA  CB   sing N N 122 
GLU   CA  HA   sing N N 123 
GLU   C   O    doub N N 124 
GLU   C   OXT  sing N N 125 
GLU   CB  CG   sing N N 126 
GLU   CB  HB2  sing N N 127 
GLU   CB  HB3  sing N N 128 
GLU   CG  CD   sing N N 129 
GLU   CG  HG2  sing N N 130 
GLU   CG  HG3  sing N N 131 
GLU   CD  OE1  doub N N 132 
GLU   CD  OE2  sing N N 133 
GLU   OE2 HE2  sing N N 134 
GLU   OXT HXT  sing N N 135 
GLY   N   CA   sing N N 136 
GLY   N   H    sing N N 137 
GLY   N   H2   sing N N 138 
GLY   CA  C    sing N N 139 
GLY   CA  HA2  sing N N 140 
GLY   CA  HA3  sing N N 141 
GLY   C   O    doub N N 142 
GLY   C   OXT  sing N N 143 
GLY   OXT HXT  sing N N 144 
HIS   N   CA   sing N N 145 
HIS   N   H    sing N N 146 
HIS   N   H2   sing N N 147 
HIS   CA  C    sing N N 148 
HIS   CA  CB   sing N N 149 
HIS   CA  HA   sing N N 150 
HIS   C   O    doub N N 151 
HIS   C   OXT  sing N N 152 
HIS   CB  CG   sing N N 153 
HIS   CB  HB2  sing N N 154 
HIS   CB  HB3  sing N N 155 
HIS   CG  ND1  sing Y N 156 
HIS   CG  CD2  doub Y N 157 
HIS   ND1 CE1  doub Y N 158 
HIS   ND1 HD1  sing N N 159 
HIS   CD2 NE2  sing Y N 160 
HIS   CD2 HD2  sing N N 161 
HIS   CE1 NE2  sing Y N 162 
HIS   CE1 HE1  sing N N 163 
HIS   NE2 HE2  sing N N 164 
HIS   OXT HXT  sing N N 165 
HOH   O   H1   sing N N 166 
HOH   O   H2   sing N N 167 
ILE   N   CA   sing N N 168 
ILE   N   H    sing N N 169 
ILE   N   H2   sing N N 170 
ILE   CA  C    sing N N 171 
ILE   CA  CB   sing N N 172 
ILE   CA  HA   sing N N 173 
ILE   C   O    doub N N 174 
ILE   C   OXT  sing N N 175 
ILE   CB  CG1  sing N N 176 
ILE   CB  CG2  sing N N 177 
ILE   CB  HB   sing N N 178 
ILE   CG1 CD1  sing N N 179 
ILE   CG1 HG12 sing N N 180 
ILE   CG1 HG13 sing N N 181 
ILE   CG2 HG21 sing N N 182 
ILE   CG2 HG22 sing N N 183 
ILE   CG2 HG23 sing N N 184 
ILE   CD1 HD11 sing N N 185 
ILE   CD1 HD12 sing N N 186 
ILE   CD1 HD13 sing N N 187 
ILE   OXT HXT  sing N N 188 
LEU   N   CA   sing N N 189 
LEU   N   H    sing N N 190 
LEU   N   H2   sing N N 191 
LEU   CA  C    sing N N 192 
LEU   CA  CB   sing N N 193 
LEU   CA  HA   sing N N 194 
LEU   C   O    doub N N 195 
LEU   C   OXT  sing N N 196 
LEU   CB  CG   sing N N 197 
LEU   CB  HB2  sing N N 198 
LEU   CB  HB3  sing N N 199 
LEU   CG  CD1  sing N N 200 
LEU   CG  CD2  sing N N 201 
LEU   CG  HG   sing N N 202 
LEU   CD1 HD11 sing N N 203 
LEU   CD1 HD12 sing N N 204 
LEU   CD1 HD13 sing N N 205 
LEU   CD2 HD21 sing N N 206 
LEU   CD2 HD22 sing N N 207 
LEU   CD2 HD23 sing N N 208 
LEU   OXT HXT  sing N N 209 
LYS   N   CA   sing N N 210 
LYS   N   H    sing N N 211 
LYS   N   H2   sing N N 212 
LYS   CA  C    sing N N 213 
LYS   CA  CB   sing N N 214 
LYS   CA  HA   sing N N 215 
LYS   C   O    doub N N 216 
LYS   C   OXT  sing N N 217 
LYS   CB  CG   sing N N 218 
LYS   CB  HB2  sing N N 219 
LYS   CB  HB3  sing N N 220 
LYS   CG  CD   sing N N 221 
LYS   CG  HG2  sing N N 222 
LYS   CG  HG3  sing N N 223 
LYS   CD  CE   sing N N 224 
LYS   CD  HD2  sing N N 225 
LYS   CD  HD3  sing N N 226 
LYS   CE  NZ   sing N N 227 
LYS   CE  HE2  sing N N 228 
LYS   CE  HE3  sing N N 229 
LYS   NZ  HZ1  sing N N 230 
LYS   NZ  HZ2  sing N N 231 
LYS   NZ  HZ3  sing N N 232 
LYS   OXT HXT  sing N N 233 
MET   N   CA   sing N N 234 
MET   N   H    sing N N 235 
MET   N   H2   sing N N 236 
MET   CA  C    sing N N 237 
MET   CA  CB   sing N N 238 
MET   CA  HA   sing N N 239 
MET   C   O    doub N N 240 
MET   C   OXT  sing N N 241 
MET   CB  CG   sing N N 242 
MET   CB  HB2  sing N N 243 
MET   CB  HB3  sing N N 244 
MET   CG  SD   sing N N 245 
MET   CG  HG2  sing N N 246 
MET   CG  HG3  sing N N 247 
MET   SD  CE   sing N N 248 
MET   CE  HE1  sing N N 249 
MET   CE  HE2  sing N N 250 
MET   CE  HE3  sing N N 251 
MET   OXT HXT  sing N N 252 
PHE   N   CA   sing N N 253 
PHE   N   H    sing N N 254 
PHE   N   H2   sing N N 255 
PHE   CA  C    sing N N 256 
PHE   CA  CB   sing N N 257 
PHE   CA  HA   sing N N 258 
PHE   C   O    doub N N 259 
PHE   C   OXT  sing N N 260 
PHE   CB  CG   sing N N 261 
PHE   CB  HB2  sing N N 262 
PHE   CB  HB3  sing N N 263 
PHE   CG  CD1  doub Y N 264 
PHE   CG  CD2  sing Y N 265 
PHE   CD1 CE1  sing Y N 266 
PHE   CD1 HD1  sing N N 267 
PHE   CD2 CE2  doub Y N 268 
PHE   CD2 HD2  sing N N 269 
PHE   CE1 CZ   doub Y N 270 
PHE   CE1 HE1  sing N N 271 
PHE   CE2 CZ   sing Y N 272 
PHE   CE2 HE2  sing N N 273 
PHE   CZ  HZ   sing N N 274 
PHE   OXT HXT  sing N N 275 
PRO   N   CA   sing N N 276 
PRO   N   CD   sing N N 277 
PRO   N   H    sing N N 278 
PRO   CA  C    sing N N 279 
PRO   CA  CB   sing N N 280 
PRO   CA  HA   sing N N 281 
PRO   C   O    doub N N 282 
PRO   C   OXT  sing N N 283 
PRO   CB  CG   sing N N 284 
PRO   CB  HB2  sing N N 285 
PRO   CB  HB3  sing N N 286 
PRO   CG  CD   sing N N 287 
PRO   CG  HG2  sing N N 288 
PRO   CG  HG3  sing N N 289 
PRO   CD  HD2  sing N N 290 
PRO   CD  HD3  sing N N 291 
PRO   OXT HXT  sing N N 292 
SER   N   CA   sing N N 293 
SER   N   H    sing N N 294 
SER   N   H2   sing N N 295 
SER   CA  C    sing N N 296 
SER   CA  CB   sing N N 297 
SER   CA  HA   sing N N 298 
SER   C   O    doub N N 299 
SER   C   OXT  sing N N 300 
SER   CB  OG   sing N N 301 
SER   CB  HB2  sing N N 302 
SER   CB  HB3  sing N N 303 
SER   OG  HG   sing N N 304 
SER   OXT HXT  sing N N 305 
THR   N   CA   sing N N 306 
THR   N   H    sing N N 307 
THR   N   H2   sing N N 308 
THR   CA  C    sing N N 309 
THR   CA  CB   sing N N 310 
THR   CA  HA   sing N N 311 
THR   C   O    doub N N 312 
THR   C   OXT  sing N N 313 
THR   CB  OG1  sing N N 314 
THR   CB  CG2  sing N N 315 
THR   CB  HB   sing N N 316 
THR   OG1 HG1  sing N N 317 
THR   CG2 HG21 sing N N 318 
THR   CG2 HG22 sing N N 319 
THR   CG2 HG23 sing N N 320 
THR   OXT HXT  sing N N 321 
TRP   N   CA   sing N N 322 
TRP   N   H    sing N N 323 
TRP   N   H2   sing N N 324 
TRP   CA  C    sing N N 325 
TRP   CA  CB   sing N N 326 
TRP   CA  HA   sing N N 327 
TRP   C   O    doub N N 328 
TRP   C   OXT  sing N N 329 
TRP   CB  CG   sing N N 330 
TRP   CB  HB2  sing N N 331 
TRP   CB  HB3  sing N N 332 
TRP   CG  CD1  doub Y N 333 
TRP   CG  CD2  sing Y N 334 
TRP   CD1 NE1  sing Y N 335 
TRP   CD1 HD1  sing N N 336 
TRP   CD2 CE2  doub Y N 337 
TRP   CD2 CE3  sing Y N 338 
TRP   NE1 CE2  sing Y N 339 
TRP   NE1 HE1  sing N N 340 
TRP   CE2 CZ2  sing Y N 341 
TRP   CE3 CZ3  doub Y N 342 
TRP   CE3 HE3  sing N N 343 
TRP   CZ2 CH2  doub Y N 344 
TRP   CZ2 HZ2  sing N N 345 
TRP   CZ3 CH2  sing Y N 346 
TRP   CZ3 HZ3  sing N N 347 
TRP   CH2 HH2  sing N N 348 
TRP   OXT HXT  sing N N 349 
TYR   N   CA   sing N N 350 
TYR   N   H    sing N N 351 
TYR   N   H2   sing N N 352 
TYR   CA  C    sing N N 353 
TYR   CA  CB   sing N N 354 
TYR   CA  HA   sing N N 355 
TYR   C   O    doub N N 356 
TYR   C   OXT  sing N N 357 
TYR   CB  CG   sing N N 358 
TYR   CB  HB2  sing N N 359 
TYR   CB  HB3  sing N N 360 
TYR   CG  CD1  doub Y N 361 
TYR   CG  CD2  sing Y N 362 
TYR   CD1 CE1  sing Y N 363 
TYR   CD1 HD1  sing N N 364 
TYR   CD2 CE2  doub Y N 365 
TYR   CD2 HD2  sing N N 366 
TYR   CE1 CZ   doub Y N 367 
TYR   CE1 HE1  sing N N 368 
TYR   CE2 CZ   sing Y N 369 
TYR   CE2 HE2  sing N N 370 
TYR   CZ  OH   sing N N 371 
TYR   OH  HH   sing N N 372 
TYR   OXT HXT  sing N N 373 
VAL   N   CA   sing N N 374 
VAL   N   H    sing N N 375 
VAL   N   H2   sing N N 376 
VAL   CA  C    sing N N 377 
VAL   CA  CB   sing N N 378 
VAL   CA  HA   sing N N 379 
VAL   C   O    doub N N 380 
VAL   C   OXT  sing N N 381 
VAL   CB  CG1  sing N N 382 
VAL   CB  CG2  sing N N 383 
VAL   CB  HB   sing N N 384 
VAL   CG1 HG11 sing N N 385 
VAL   CG1 HG12 sing N N 386 
VAL   CG1 HG13 sing N N 387 
VAL   CG2 HG21 sing N N 388 
VAL   CG2 HG22 sing N N 389 
VAL   CG2 HG23 sing N N 390 
VAL   OXT HXT  sing N N 391 
# 
_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                    9HSB 
_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]   0.019825 
_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]   0.014664 
_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]   0.008546 
_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    . SER   A 1 38  ? -11.28691 -8.97639  -43.88401 1.000 69.95237  ? 615  SER   A N    1 
ATOM   2    C CA   . SER   A 1 38  ? -12.51814 -8.54286  -44.53444 1.000 68.42767  ? 615  SER   A CA   1 
ATOM   3    C C    . SER   A 1 38  ? -13.65562 -9.51846  -44.24654 1.000 66.43399  ? 615  SER   A C    1 
ATOM   4    O O    . SER   A 1 38  ? -14.79563 -9.10719  -44.04110 1.000 69.51532  ? 615  SER   A O    1 
ATOM   5    C CB   . SER   A 1 38  ? -12.31068 -8.39797  -46.04468 1.000 72.65339  ? 615  SER   A CB   1 
ATOM   6    N N    . LYS   A 1 39  ? -13.34221 -10.81272 -44.23480 1.000 60.43847  ? 616  LYS   A N    1 
ATOM   7    C CA   . LYS   A 1 39  ? -14.35491 -11.81436 -43.93155 1.000 54.44626  ? 616  LYS   A CA   1 
ATOM   8    C C    . LYS   A 1 39  ? -14.86673 -11.62542 -42.51182 1.000 50.58798  ? 616  LYS   A C    1 
ATOM   9    O O    . LYS   A 1 39  ? -14.10838 -11.28166 -41.59938 1.000 47.72239  ? 616  LYS   A O    1 
ATOM   10   C CB   . LYS   A 1 39  ? -13.78759 -13.22426 -44.10185 1.000 56.50931  ? 616  LYS   A CB   1 
ATOM   11   N N    . ASN   A 1 40  ? -16.16465 -11.84825 -42.32904 1.000 43.42038  ? 617  ASN   A N    1 
ATOM   12   C CA   . ASN   A 1 40  ? -16.76087 -11.70651 -41.01247 1.000 42.85470  ? 617  ASN   A CA   1 
ATOM   13   C C    . ASN   A 1 40  ? -16.32743 -12.85517 -40.10676 1.000 41.49159  ? 617  ASN   A C    1 
ATOM   14   O O    . ASN   A 1 40  ? -16.29528 -14.02098 -40.51734 1.000 39.92163  ? 617  ASN   A O    1 
ATOM   15   C CB   . ASN   A 1 40  ? -18.28126 -11.65797 -41.12206 1.000 42.77129  ? 617  ASN   A CB   1 
ATOM   16   C CG   . ASN   A 1 40  ? -18.94269 -11.30592 -39.80730 1.000 40.29638  ? 617  ASN   A CG   1 
ATOM   17   O OD1  . ASN   A 1 40  ? -19.49554 -12.16786 -39.12392 1.000 44.58856  ? 617  ASN   A OD1  1 
ATOM   18   N ND2  . ASN   A 1 40  ? -18.87827 -10.03001 -39.43387 1.000 41.34994  ? 617  ASN   A ND2  1 
ATOM   19   N N    . VAL   A 1 41  ? -15.96927 -12.50949 -38.87522 1.000 34.59684  ? 618  VAL   A N    1 
ATOM   20   C CA   . VAL   A 1 41  ? -15.48190 -13.45159 -37.87596 1.000 34.22939  ? 618  VAL   A CA   1 
ATOM   21   C C    . VAL   A 1 41  ? -16.44852 -13.42368 -36.70489 1.000 30.48300  ? 618  VAL   A C    1 
ATOM   22   O O    . VAL   A 1 41  ? -16.83973 -12.34138 -36.24932 1.000 31.80274  ? 618  VAL   A O    1 
ATOM   23   C CB   . VAL   A 1 41  ? -14.05591 -13.08790 -37.42396 1.000 36.29388  ? 618  VAL   A CB   1 
ATOM   24   C CG1  . VAL   A 1 41  ? -13.65483 -13.90068 -36.23130 1.000 37.62471  ? 618  VAL   A CG1  1 
ATOM   25   C CG2  . VAL   A 1 41  ? -13.06818 -13.30635 -38.58913 1.000 41.64253  ? 618  VAL   A CG2  1 
ATOM   26   N N    . VAL   A 1 42  ? -16.83051 -14.60463 -36.21428 1.000 28.95127  ? 619  VAL   A N    1 
ATOM   27   C CA   . VAL   A 1 42  ? -17.78446 -14.72541 -35.11300 1.000 27.75919  ? 619  VAL   A CA   1 
ATOM   28   C C    . VAL   A 1 42  ? -17.01796 -14.87106 -33.80384 1.000 27.56131  ? 619  VAL   A C    1 
ATOM   29   O O    . VAL   A 1 42  ? -16.16990 -15.76448 -33.66263 1.000 24.72137  ? 619  VAL   A O    1 
ATOM   30   C CB   . VAL   A 1 42  ? -18.74557 -15.90490 -35.33639 1.000 27.80016  ? 619  VAL   A CB   1 
ATOM   31   C CG1  . VAL   A 1 42  ? -19.67001 -16.05803 -34.13385 1.000 29.20833  ? 619  VAL   A CG1  1 
ATOM   32   C CG2  . VAL   A 1 42  ? -19.55681 -15.67547 -36.59508 1.000 31.49126  ? 619  VAL   A CG2  1 
ATOM   33   N N    . ILE   A 1 43  ? -17.31876 -13.98437 -32.84861 1.000 23.99589  ? 620  ILE   A N    1 
ATOM   34   C CA   . ILE   A 1 43  ? -16.66545 -13.92110 -31.54652 1.000 27.01604  ? 620  ILE   A CA   1 
ATOM   35   C C    . ILE   A 1 43  ? -17.69241 -14.28525 -30.48949 1.000 26.41671  ? 620  ILE   A C    1 
ATOM   36   O O    . ILE   A 1 43  ? -18.83796 -13.81655 -30.54018 1.000 25.13526  ? 620  ILE   A O    1 
ATOM   37   C CB   . ILE   A 1 43  ? -16.09969 -12.51623 -31.24293 1.000 25.82033  ? 620  ILE   A CB   1 
ATOM   38   C CG1  . ILE   A 1 43  ? -15.22446 -12.00097 -32.38865 1.000 28.52598  ? 620  ILE   A CG1  1 
ATOM   39   C CG2  . ILE   A 1 43  ? -15.32891 -12.52990 -29.91537 1.000 27.49290  ? 620  ILE   A CG2  1 
ATOM   40   C CD1  . ILE   A 1 43  ? -13.98563 -12.84316 -32.60114 1.000 26.73489  ? 620  ILE   A CD1  1 
ATOM   41   N N    . TYR   A 1 44  ? -17.27535 -15.08707 -29.51357 1.000 24.41701  ? 621  TYR   A N    1 
ATOM   42   C CA   . TYR   A 1 44  ? -18.13151 -15.46401 -28.39781 1.000 26.55788  ? 621  TYR   A CA   1 
ATOM   43   C C    . TYR   A 1 44  ? -17.50212 -14.99785 -27.09159 1.000 26.17470  ? 621  TYR   A C    1 
ATOM   44   O O    . TYR   A 1 44  ? -16.30468 -15.20021 -26.86706 1.000 24.88280  ? 621  TYR   A O    1 
ATOM   45   C CB   . TYR   A 1 44  ? -18.35722 -16.98227 -28.36114 1.000 27.45156  ? 621  TYR   A CB   1 
ATOM   46   C CG   . TYR   A 1 44  ? -19.28532 -17.44293 -27.25357 1.000 24.68794  ? 621  TYR   A CG   1 
ATOM   47   C CD1  . TYR   A 1 44  ? -20.65312 -17.20071 -27.31723 1.000 23.94132  ? 621  TYR   A CD1  1 
ATOM   48   C CD2  . TYR   A 1 44  ? -18.79428 -18.13170 -26.15184 1.000 28.48879  ? 621  TYR   A CD2  1 
ATOM   49   C CE1  . TYR   A 1 44  ? -21.51074 -17.61913 -26.30053 1.000 26.51026  ? 621  TYR   A CE1  1 
ATOM   50   C CE2  . TYR   A 1 44  ? -19.64541 -18.56926 -25.13253 1.000 28.35643  ? 621  TYR   A CE2  1 
ATOM   51   C CZ   . TYR   A 1 44  ? -20.99874 -18.30821 -25.21393 1.000 29.02643  ? 621  TYR   A CZ   1 
ATOM   52   O OH   . TYR   A 1 44  ? -21.83868 -18.74174 -24.20488 1.000 30.13428  ? 621  TYR   A OH   1 
ATOM   53   N N    . ALA   A 1 45  ? -18.30865 -14.36735 -26.24020 1.000 25.32631  ? 622  ALA   A N    1 
ATOM   54   C CA   . ALA   A 1 45  ? -17.91343 -14.04649 -24.87420 1.000 25.73580  ? 622  ALA   A CA   1 
ATOM   55   C C    . ALA   A 1 45  ? -19.05457 -14.46050 -23.96272 1.000 25.94453  ? 622  ALA   A C    1 
ATOM   56   O O    . ALA   A 1 45  ? -20.22174 -14.35563 -24.34427 1.000 27.82710  ? 622  ALA   A O    1 
ATOM   57   C CB   . ALA   A 1 45  ? -17.61112 -12.54220 -24.71549 1.000 28.59790  ? 622  ALA   A CB   1 
ATOM   58   N N    . ASP   A 1 46  ? -18.73810 -14.94930 -22.77022 1.000 29.08957  ? 623  ASP   A N    1 
ATOM   59   C CA   . ASP   A 1 46  ? -19.79553 -15.30599 -21.83638 1.000 28.58174  ? 623  ASP   A CA   1 
ATOM   60   C C    . ASP   A 1 46  ? -19.47729 -14.73634 -20.46129 1.000 32.39789  ? 623  ASP   A C    1 
ATOM   61   O O    . ASP   A 1 46  ? -18.39154 -14.20541 -20.20505 1.000 29.91947  ? 623  ASP   A O    1 
ATOM   62   C CB   . ASP   A 1 46  ? -20.03606 -16.82377 -21.76900 1.000 30.05040  ? 623  ASP   A CB   1 
ATOM   63   C CG   . ASP   A 1 46  ? -18.82497 -17.61334 -21.29644 1.000 35.42700  ? 623  ASP   A CG   1 
ATOM   64   O OD1  . ASP   A 1 46  ? -17.97383 -17.07020 -20.56066 1.000 37.93637  ? 623  ASP   A OD1  1 
ATOM   65   O OD2  . ASP   A 1 46  ? -18.75145 -18.82010 -21.64315 1.000 34.88148  ? 623  ASP   A OD2  1 
ATOM   66   N N    . GLY   A 1 47  ? -20.45904 -14.83251 -19.58447 1.000 31.59600  ? 624  GLY   A N    1 
ATOM   67   C CA   . GLY   A 1 47  ? -20.33398 -14.22039 -18.28025 1.000 32.45014  ? 624  GLY   A CA   1 
ATOM   68   C C    . GLY   A 1 47  ? -21.68536 -14.14100 -17.61206 1.000 33.16176  ? 624  GLY   A C    1 
ATOM   69   O O    . GLY   A 1 47  ? -22.70312 -14.58172 -18.14899 1.000 29.05820  ? 624  GLY   A O    1 
ATOM   70   N N    . VAL   A 1 48  ? -21.66412 -13.58006 -16.40655 1.000 29.28680  ? 625  VAL   A N    1 
ATOM   71   C CA   . VAL   A 1 48  ? -22.89435 -13.39625 -15.64772 1.000 29.34268  ? 625  VAL   A CA   1 
ATOM   72   C C    . VAL   A 1 48  ? -23.56562 -12.09158 -16.04287 1.000 27.76371  ? 625  VAL   A C    1 
ATOM   73   O O    . VAL   A 1 48  ? -24.79010 -12.02538 -16.19671 1.000 28.60848  ? 625  VAL   A O    1 
ATOM   74   C CB   . VAL   A 1 48  ? -22.59328 -13.42831 -14.13664 1.000 28.83881  ? 625  VAL   A CB   1 
ATOM   75   C CG1  . VAL   A 1 48  ? -23.90125 -13.33804 -13.31876 1.000 31.10670  ? 625  VAL   A CG1  1 
ATOM   76   C CG2  . VAL   A 1 48  ? -21.83891 -14.71567 -13.75028 1.000 32.84700  ? 625  VAL   A CG2  1 
ATOM   77   N N    . TYR   A 1 49  ? -22.77551 -11.02901 -16.16484 1.000 27.81900  ? 626  TYR   A N    1 
ATOM   78   C CA   . TYR   A 1 49  ? -23.29298 -9.69402  -16.47587 1.000 26.87691  ? 626  TYR   A CA   1 
ATOM   79   C C    . TYR   A 1 49  ? -24.33608 -9.24966  -15.44751 1.000 29.57586  ? 626  TYR   A C    1 
ATOM   80   O O    . TYR   A 1 49  ? -25.34014 -8.61970  -15.78329 1.000 25.73882  ? 626  TYR   A O    1 
ATOM   81   C CB   . TYR   A 1 49  ? -23.84298 -9.65356  -17.90604 1.000 24.72626  ? 626  TYR   A CB   1 
ATOM   82   C CG   . TYR   A 1 49  ? -22.78990 -10.07071 -18.89893 1.000 27.40882  ? 626  TYR   A CG   1 
ATOM   83   C CD1  . TYR   A 1 49  ? -21.75442 -9.21140  -19.23684 1.000 27.54999  ? 626  TYR   A CD1  1 
ATOM   84   C CD2  . TYR   A 1 49  ? -22.80312 -11.33985 -19.47088 1.000 26.17771  ? 626  TYR   A CD2  1 
ATOM   85   C CE1  . TYR   A 1 49  ? -20.77163 -9.60138  -20.12778 1.000 26.80743  ? 626  TYR   A CE1  1 
ATOM   86   C CE2  . TYR   A 1 49  ? -21.82802 -11.73278 -20.37236 1.000 28.13721  ? 626  TYR   A CE2  1 
ATOM   87   C CZ   . TYR   A 1 49  ? -20.81485 -10.86304 -20.68690 1.000 29.90827  ? 626  TYR   A CZ   1 
ATOM   88   O OH   . TYR   A 1 49  ? -19.84128 -11.25780 -21.56955 1.000 27.29950  ? 626  TYR   A OH   1 
ATOM   89   N N    . ASP   A 1 50  ? -24.08677 -9.57825  -14.17545 1.000 29.03141  ? 627  ASP   A N    1 
ATOM   90   C CA   . ASP   A 1 50  ? -24.90562 -9.07717  -13.07754 1.000 27.16848  ? 627  ASP   A CA   1 
ATOM   91   C C    . ASP   A 1 50  ? -24.57552 -7.60685  -12.83259 1.000 30.75172  ? 627  ASP   A C    1 
ATOM   92   O O    . ASP   A 1 50  ? -23.40942 -7.20218  -12.87588 1.000 29.96418  ? 627  ASP   A O    1 
ATOM   93   C CB   . ASP   A 1 50  ? -24.64594 -9.91146  -11.80580 1.000 29.53925  ? 627  ASP   A CB   1 
ATOM   94   C CG   . ASP   A 1 50  ? -25.75910 -9.80799  -10.77252 1.000 33.72640  ? 627  ASP   A CG   1 
ATOM   95   O OD1  . ASP   A 1 50  ? -26.88919 -9.44117  -11.13766 1.000 34.82317  ? 627  ASP   A OD1  1 
ATOM   96   O OD2  . ASP   A 1 50  ? -25.50922 -10.09620 -9.56494  1.000 38.05002  ? 627  ASP   A OD2  1 
ATOM   97   N N    . MET   A 1 51  ? -25.60828 -6.80076  -12.60192 1.000 30.58009  ? 628  MET   A N    1 
ATOM   98   C CA   . MET   A 1 51  ? -25.45686 -5.36576  -12.34044 1.000 27.97790  ? 628  MET   A CA   1 
ATOM   99   C C    . MET   A 1 51  ? -24.47899 -4.70929  -13.32522 1.000 28.04312  ? 628  MET   A C    1 
ATOM   100  O O    . MET   A 1 51  ? -23.44285 -4.16394  -12.94453 1.000 28.63241  ? 628  MET   A O    1 
ATOM   101  C CB   . MET   A 1 51  ? -25.01530 -5.12404  -10.89759 1.000 29.01804  ? 628  MET   A CB   1 
ATOM   102  C CG   . MET   A 1 51  ? -25.99704 -5.68270  -9.85885  1.000 29.75618  ? 628  MET   A CG   1 
ATOM   103  S SD   . MET   A 1 51  ? -25.61023 -5.13803  -8.19622  1.000 37.18111  ? 628  MET   A SD   1 
ATOM   104  C CE   . MET   A 1 51  ? -24.00869 -5.91200  -7.94202  1.000 38.39087  ? 628  MET   A CE   1 
ATOM   105  N N    . LEU   A 1 52  ? -24.84725 -4.75712  -14.60824 1.000 25.45586  ? 629  LEU   A N    1 
ATOM   106  C CA   . LEU   A 1 52  ? -23.93497 -4.42132  -15.69885 1.000 25.14380  ? 629  LEU   A CA   1 
ATOM   107  C C    . LEU   A 1 52  ? -23.30861 -3.05449  -15.49608 1.000 25.51684  ? 629  LEU   A C    1 
ATOM   108  O O    . LEU   A 1 52  ? -24.01135 -2.08402  -15.20187 1.000 25.79595  ? 629  LEU   A O    1 
ATOM   109  C CB   . LEU   A 1 52  ? -24.69626 -4.43598  -17.02671 1.000 23.07883  ? 629  LEU   A CB   1 
ATOM   110  C CG   . LEU   A 1 52  ? -23.85676 -4.33900  -18.28853 1.000 27.57533  ? 629  LEU   A CG   1 
ATOM   111  C CD1  . LEU   A 1 52  ? -23.29542 -5.72710  -18.61227 1.000 27.03589  ? 629  LEU   A CD1  1 
ATOM   112  C CD2  . LEU   A 1 52  ? -24.74886 -3.83483  -19.41539 1.000 23.55402  ? 629  LEU   A CD2  1 
ATOM   113  N N    . HIS   A 1 53  ? -21.98545 -2.97777  -15.69617 1.000 23.91015  ? 630  HIS   A N    1 
ATOM   114  C CA   . HIS   A 1 53  ? -21.23134 -1.75668  -15.44381 1.000 26.02666  ? 630  HIS   A CA   1 
ATOM   115  C C    . HIS   A 1 53  ? -20.22788 -1.49346  -16.56737 1.000 26.28257  ? 630  HIS   A C    1 
ATOM   116  O O    . HIS   A 1 53  ? -20.09701 -2.26550  -17.52404 1.000 25.59897  ? 630  HIS   A O    1 
ATOM   117  C CB   . HIS   A 1 53  ? -20.52650 -1.80976  -14.08169 1.000 24.22652  ? 630  HIS   A CB   1 
ATOM   118  C CG   . HIS   A 1 53  ? -19.64723 -3.00557  -13.89405 1.000 30.24042  ? 630  HIS   A CG   1 
ATOM   119  N ND1  . HIS   A 1 53  ? -18.39671 -3.11593  -14.46418 1.000 27.98904  ? 630  HIS   A ND1  1 
ATOM   120  C CD2  . HIS   A 1 53  ? -19.82899 -4.13244  -13.16420 1.000 31.90109  ? 630  HIS   A CD2  1 
ATOM   121  C CE1  . HIS   A 1 53  ? -17.84914 -4.26316  -14.09879 1.000 33.04164  ? 630  HIS   A CE1  1 
ATOM   122  N NE2  . HIS   A 1 53  ? -18.70093 -4.90144  -13.31600 1.000 31.52369  ? 630  HIS   A NE2  1 
ATOM   123  N N    . LEU   A 1 54  ? -19.52028 -0.36799  -16.43937 1.000 25.94392  ? 631  LEU   A N    1 
ATOM   124  C CA   . LEU   A 1 54  ? -18.56076 0.04730   -17.45542 1.000 25.26999  ? 631  LEU   A CA   1 
ATOM   125  C C    . LEU   A 1 54  ? -17.48375 -1.00094  -17.67241 1.000 27.87588  ? 631  LEU   A C    1 
ATOM   126  O O    . LEU   A 1 54  ? -16.96888 -1.13742  -18.79009 1.000 25.23350  ? 631  LEU   A O    1 
ATOM   127  C CB   . LEU   A 1 54  ? -17.93049 1.38006   -17.04054 1.000 27.68156  ? 631  LEU   A CB   1 
ATOM   128  C CG   . LEU   A 1 54  ? -16.89107 1.98871   -17.98079 1.000 28.22217  ? 631  LEU   A CG   1 
ATOM   129  C CD1  . LEU   A 1 54  ? -17.50499 2.28516   -19.35455 1.000 25.43546  ? 631  LEU   A CD1  1 
ATOM   130  C CD2  . LEU   A 1 54  ? -16.31669 3.27329   -17.35880 1.000 27.99942  ? 631  LEU   A CD2  1 
ATOM   131  N N    . GLY   A 1 55  ? -17.11277 -1.73649  -16.61910 1.000 26.54197  ? 632  GLY   A N    1 
ATOM   132  C CA   . GLY   A 1 55  ? -16.12300 -2.79412  -16.78233 1.000 27.21653  ? 632  GLY   A CA   1 
ATOM   133  C C    . GLY   A 1 55  ? -16.57042 -3.85948  -17.76914 1.000 29.23681  ? 632  GLY   A C    1 
ATOM   134  O O    . GLY   A 1 55  ? -15.80280 -4.27487  -18.64425 1.000 28.49167  ? 632  GLY   A O    1 
ATOM   135  N N    . HIS   A 1 56  ? -17.81905 -4.32818  -17.63224 1.000 27.22629  ? 633  HIS   A N    1 
ATOM   136  C CA   . HIS   A 1 56  ? -18.37845 -5.26817  -18.60669 1.000 25.44771  ? 633  HIS   A CA   1 
ATOM   137  C C    . HIS   A 1 56  ? -18.36875 -4.66644  -20.00841 1.000 26.16652  ? 633  HIS   A C    1 
ATOM   138  O O    . HIS   A 1 56  ? -17.98183 -5.31900  -20.98325 1.000 25.11861  ? 633  HIS   A O    1 
ATOM   139  C CB   . HIS   A 1 56  ? -19.82165 -5.63538  -18.24880 1.000 24.80717  ? 633  HIS   A CB   1 
ATOM   140  C CG   . HIS   A 1 56  ? -19.98956 -6.33906  -16.93545 1.000 27.88509  ? 633  HIS   A CG   1 
ATOM   141  N ND1  . HIS   A 1 56  ? -20.78214 -5.83754  -15.92728 1.000 28.67360  ? 633  HIS   A ND1  1 
ATOM   142  C CD2  . HIS   A 1 56  ? -19.52805 -7.53333  -16.49344 1.000 32.19522  ? 633  HIS   A CD2  1 
ATOM   143  C CE1  . HIS   A 1 56  ? -20.77293 -6.67681  -14.90423 1.000 32.35324  ? 633  HIS   A CE1  1 
ATOM   144  N NE2  . HIS   A 1 56  ? -20.02210 -7.71588  -15.22303 1.000 33.31080  ? 633  HIS   A NE2  1 
ATOM   145  N N    . MET   A 1 57  ? -18.84595 -3.42366  -20.12471 1.000 23.26360  ? 634  MET   A N    1 
ATOM   146  C CA   . MET   A 1 57  ? -19.00137 -2.77592  -21.42435 1.000 21.60290  ? 634  MET   A CA   1 
ATOM   147  C C    . MET   A 1 57  ? -17.68079 -2.66691  -22.16287 1.000 24.21705  ? 634  MET   A C    1 
ATOM   148  O O    . MET   A 1 57  ? -17.62809 -2.85654  -23.38693 1.000 23.91026  ? 634  MET   A O    1 
ATOM   149  C CB   . MET   A 1 57  ? -19.60331 -1.38263  -21.22749 1.000 24.11154  ? 634  MET   A CB   1 
ATOM   150  C CG   . MET   A 1 57  ? -20.97321 -1.42101  -20.57949 1.000 25.03127  ? 634  MET   A CG   1 
ATOM   151  S SD   . MET   A 1 57  ? -21.55620 0.23158   -20.16157 1.000 24.57730  ? 634  MET   A SD   1 
ATOM   152  C CE   . MET   A 1 57  ? -22.95437 -0.18069  -19.12166 1.000 24.64800  ? 634  MET   A CE   1 
ATOM   153  N N    . LYS   A 1 58  ? -16.61777 -2.28664  -21.45280 1.000 24.36911  ? 635  LYS   A N    1 
ATOM   154  C CA   . LYS   A 1 58  ? -15.30940 -2.18886  -22.08409 1.000 25.57859  ? 635  LYS   A CA   1 
ATOM   155  C C    . LYS   A 1 58  ? -14.78460 -3.55249  -22.50570 1.000 27.91079  ? 635  LYS   A C    1 
ATOM   156  O O    . LYS   A 1 58  ? -14.02216 -3.64427  -23.47394 1.000 26.91719  ? 635  LYS   A O    1 
ATOM   157  C CB   . LYS   A 1 58  ? -14.31301 -1.52464  -21.13562 1.000 29.08441  ? 635  LYS   A CB   1 
ATOM   158  C CG   . LYS   A 1 58  ? -14.55482 -0.02967  -20.93611 1.000 29.78019  ? 635  LYS   A CG   1 
ATOM   159  C CD   . LYS   A 1 58  ? -13.52232 0.58036   -19.98571 1.000 34.23596  ? 635  LYS   A CD   1 
ATOM   160  C CE   . LYS   A 1 58  ? -12.16081 0.68845   -20.64794 1.000 38.42960  ? 635  LYS   A CE   1 
ATOM   161  N NZ   . LYS   A 1 58  ? -11.19357 1.43024   -19.80198 1.000 47.23857  ? 635  LYS   A NZ   1 
ATOM   162  N N    . GLN   A 1 59  ? -15.12571 -4.60880  -21.76466 1.000 24.53341  ? 636  GLN   A N    1 
ATOM   163  C CA   . GLN   A 1 59  ? -14.67859 -5.93920  -22.16007 1.000 27.91927  ? 636  GLN   A CA   1 
ATOM   164  C C    . GLN   A 1 59  ? -15.43519 -6.41260  -23.39005 1.000 26.73473  ? 636  GLN   A C    1 
ATOM   165  O O    . GLN   A 1 59  ? -14.86138 -7.06047  -24.27434 1.000 27.44551  ? 636  GLN   A O    1 
ATOM   166  C CB   . GLN   A 1 59  ? -14.85207 -6.92834  -21.00063 1.000 33.25482  ? 636  GLN   A CB   1 
ATOM   167  C CG   . GLN   A 1 59  ? -13.54976 -7.33505  -20.35732 1.000 42.04306  ? 636  GLN   A CG   1 
ATOM   168  C CD   . GLN   A 1 59  ? -13.66856 -8.63987  -19.57620 1.000 45.43722  ? 636  GLN   A CD   1 
ATOM   169  O OE1  . GLN   A 1 59  ? -12.82177 -9.53168  -19.69378 1.000 48.53912  ? 636  GLN   A OE1  1 
ATOM   170  N NE2  . GLN   A 1 59  ? -14.72350 -8.75531  -18.77923 1.000 41.65637  ? 636  GLN   A NE2  1 
ATOM   171  N N    . LEU   A 1 60  ? -16.72495 -6.08170  -23.46744 1.000 26.22289  ? 637  LEU   A N    1 
ATOM   172  C CA   . LEU   A 1 60  ? -17.49460 -6.38514  -24.66562 1.000 26.00544  ? 637  LEU   A CA   1 
ATOM   173  C C    . LEU   A 1 60  ? -16.98562 -5.60230  -25.86612 1.000 27.85842  ? 637  LEU   A C    1 
ATOM   174  O O    . LEU   A 1 60  ? -16.86858 -6.15672  -26.96487 1.000 28.07806  ? 637  LEU   A O    1 
ATOM   175  C CB   . LEU   A 1 60  ? -18.96720 -6.09932  -24.41806 1.000 25.32940  ? 637  LEU   A CB   1 
ATOM   176  C CG   . LEU   A 1 60  ? -19.57700 -7.02110  -23.35616 1.000 24.47102  ? 637  LEU   A CG   1 
ATOM   177  C CD1  . LEU   A 1 60  ? -20.95775 -6.51442  -22.97422 1.000 26.52950  ? 637  LEU   A CD1  1 
ATOM   178  C CD2  . LEU   A 1 60  ? -19.66246 -8.44420  -23.90905 1.000 23.67816  ? 637  LEU   A CD2  1 
ATOM   179  N N    . GLU   A 1 61  ? -16.69755 -4.30837  -25.68597 1.000 24.95244  ? 638  GLU   A N    1 
ATOM   180  C CA   . GLU   A 1 61  ? -16.09448 -3.52362  -26.76065 1.000 24.11321  ? 638  GLU   A CA   1 
ATOM   181  C C    . GLU   A 1 61  ? -14.80693 -4.16673  -27.25533 1.000 27.50125  ? 638  GLU   A C    1 
ATOM   182  O O    . GLU   A 1 61  ? -14.54987 -4.21549  -28.46604 1.000 27.72237  ? 638  GLU   A O    1 
ATOM   183  C CB   . GLU   A 1 61  ? -15.81346 -2.09776  -26.27809 1.000 27.10656  ? 638  GLU   A CB   1 
ATOM   184  C CG   . GLU   A 1 61  ? -15.14520 -1.23427  -27.33582 1.000 28.70370  ? 638  GLU   A CG   1 
ATOM   185  C CD   . GLU   A 1 61  ? -14.75605 0.13712   -26.83644 1.000 34.04422  ? 638  GLU   A CD   1 
ATOM   186  O OE1  . GLU   A 1 61  ? -14.64528 0.31964   -25.60428 1.000 32.24458  ? 638  GLU   A OE1  1 
ATOM   187  O OE2  . GLU   A 1 61  ? -14.56044 1.02984   -27.68913 1.000 30.24447  ? 638  GLU   A OE2  1 
ATOM   188  N N    . GLN   A 1 62  ? -13.96769 -4.63516  -26.33160 1.000 25.58752  ? 639  GLN   A N    1 
ATOM   189  C CA   . GLN   A 1 62  ? -12.69045 -5.20654  -26.73895 1.000 30.05876  ? 639  GLN   A CA   1 
ATOM   190  C C    . GLN   A 1 62  ? -12.90229 -6.47467  -27.54962 1.000 29.02555  ? 639  GLN   A C    1 
ATOM   191  O O    . GLN   A 1 62  ? -12.23232 -6.68902  -28.56480 1.000 30.18648  ? 639  GLN   A O    1 
ATOM   192  C CB   . GLN   A 1 62  ? -11.82523 -5.48092  -25.50892 1.000 31.41496  ? 639  GLN   A CB   1 
ATOM   193  C CG   . GLN   A 1 62  ? -10.47379 -6.08989  -25.84850 1.000 40.23484  ? 639  GLN   A CG   1 
ATOM   194  C CD   . GLN   A 1 62  ? -9.53144  -6.12343  -24.65891 1.000 44.84566  ? 639  GLN   A CD   1 
ATOM   195  O OE1  . GLN   A 1 62  ? -9.90647  -5.75007  -23.54831 1.000 45.22010  ? 639  GLN   A OE1  1 
ATOM   196  N NE2  . GLN   A 1 62  ? -8.29490  -6.56538  -24.89120 1.000 45.27625  ? 639  GLN   A NE2  1 
ATOM   197  N N    . ALA   A 1 63  ? -13.85223 -7.31203  -27.12998 1.000 28.17002  ? 640  ALA   A N    1 
ATOM   198  C CA   . ALA   A 1 63  ? -14.17548 -8.51333  -27.89615 1.000 25.94173  ? 640  ALA   A CA   1 
ATOM   199  C C    . ALA   A 1 63  ? -14.71905 -8.16134  -29.27420 1.000 28.42516  ? 640  ALA   A C    1 
ATOM   200  O O    . ALA   A 1 63  ? -14.32203 -8.76542  -30.27827 1.000 29.52861  ? 640  ALA   A O    1 
ATOM   201  C CB   . ALA   A 1 63  ? -15.17941 -9.36497  -27.13143 1.000 24.46518  ? 640  ALA   A CB   1 
ATOM   202  N N    . LYS   A 1 64  ? -15.63593 -7.18827  -29.34217 1.000 24.81044  ? 641  LYS   A N    1 
ATOM   203  C CA   . LYS   A 1 64  ? -16.19735 -6.78260  -30.62580 1.000 25.69734  ? 641  LYS   A CA   1 
ATOM   204  C C    . LYS   A 1 64  ? -15.12484 -6.29461  -31.59115 1.000 28.32082  ? 641  LYS   A C    1 
ATOM   205  O O    . LYS   A 1 64  ? -15.23720 -6.52055  -32.80376 1.000 28.79644  ? 641  LYS   A O    1 
ATOM   206  C CB   . LYS   A 1 64  ? -17.26584 -5.70638  -30.39025 1.000 26.40246  ? 641  LYS   A CB   1 
ATOM   207  C CG   . LYS   A 1 64  ? -17.85293 -5.06572  -31.63261 1.000 27.96599  ? 641  LYS   A CG   1 
ATOM   208  C CD   . LYS   A 1 64  ? -18.61229 -6.06461  -32.50299 1.000 29.95513  ? 641  LYS   A CD   1 
ATOM   209  C CE   . LYS   A 1 64  ? -19.30387 -5.37274  -33.66150 1.000 32.84056  ? 641  LYS   A CE   1 
ATOM   210  N NZ   . LYS   A 1 64  ? -19.75013 -6.33150  -34.72850 1.000 30.13996  ? 641  LYS   A NZ   1 
ATOM   211  N N    . LYS   A 1 65  ? -14.07599 -5.63647  -31.09197 1.000 26.93947  ? 642  LYS   A N    1 
ATOM   212  C CA   . LYS   A 1 65  ? -13.07612 -5.02851  -31.95685 1.000 27.89672  ? 642  LYS   A CA   1 
ATOM   213  C C    . LYS   A 1 65  ? -11.82587 -5.88155  -32.11584 1.000 30.03823  ? 642  LYS   A C    1 
ATOM   214  O O    . LYS   A 1 65  ? -10.79271 -5.37045  -32.56186 1.000 31.43844  ? 642  LYS   A O    1 
ATOM   215  C CB   . LYS   A 1 65  ? -12.71734 -3.63721  -31.43082 1.000 29.15152  ? 642  LYS   A CB   1 
ATOM   216  C CG   . LYS   A 1 65  ? -13.92149 -2.71118  -31.36360 1.000 28.00413  ? 642  LYS   A CG   1 
ATOM   217  C CD   . LYS   A 1 65  ? -13.52324 -1.29340  -30.96623 1.000 30.69666  ? 642  LYS   A CD   1 
ATOM   218  C CE   . LYS   A 1 65  ? -14.70806 -0.34102  -31.08386 1.000 32.21924  ? 642  LYS   A CE   1 
ATOM   219  N NZ   . LYS   A 1 65  ? -14.39749 1.02607   -30.52711 1.000 35.08743  ? 642  LYS   A NZ   1 
ATOM   220  N N    . LEU   A 1 66  ? -11.89549 -7.17201  -31.78996 1.000 30.27929  ? 643  LEU   A N    1 
ATOM   221  C CA   . LEU   A 1 66  ? -10.73239 -8.03521  -32.00236 1.000 29.52937  ? 643  LEU   A CA   1 
ATOM   222  C C    . LEU   A 1 66  ? -10.31710 -8.07583  -33.46875 1.000 32.36297  ? 643  LEU   A C    1 
ATOM   223  O O    . LEU   A 1 66  ? -9.12347  -8.19607  -33.77138 1.000 31.20588  ? 643  LEU   A O    1 
ATOM   224  C CB   . LEU   A 1 66  ? -11.02556 -9.44659  -31.50094 1.000 28.22304  ? 643  LEU   A CB   1 
ATOM   225  C CG   . LEU   A 1 66  ? -11.01053 -9.64195  -29.98121 1.000 30.00277  ? 643  LEU   A CG   1 
ATOM   226  C CD1  . LEU   A 1 66  ? -11.55777 -11.01001 -29.62845 1.000 29.33134  ? 643  LEU   A CD1  1 
ATOM   227  C CD2  . LEU   A 1 66  ? -9.59550  -9.47205  -29.43210 1.000 28.59713  ? 643  LEU   A CD2  1 
ATOM   228  N N    . PHE   A 1 67  ? -11.27676 -7.99174  -34.39018 1.000 29.43667  ? 644  PHE   A N    1 
ATOM   229  C CA   . PHE   A 1 67  ? -10.98920 -7.96381  -35.82023 1.000 33.42439  ? 644  PHE   A CA   1 
ATOM   230  C C    . PHE   A 1 67  ? -11.85675 -6.89489  -36.47603 1.000 33.75863  ? 644  PHE   A C    1 
ATOM   231  O O    . PHE   A 1 67  ? -12.78127 -6.35689  -35.86235 1.000 33.59024  ? 644  PHE   A O    1 
ATOM   232  C CB   . PHE   A 1 67  ? -11.21857 -9.34142  -36.46778 1.000 32.22060  ? 644  PHE   A CB   1 
ATOM   233  C CG   . PHE   A 1 67  ? -10.38951 -10.43806 -35.85893 1.000 31.48223  ? 644  PHE   A CG   1 
ATOM   234  C CD1  . PHE   A 1 67  ? -9.10831  -10.69083 -36.31898 1.000 36.45096  ? 644  PHE   A CD1  1 
ATOM   235  C CD2  . PHE   A 1 67  ? -10.88270 -11.19544 -34.81235 1.000 32.65830  ? 644  PHE   A CD2  1 
ATOM   236  C CE1  . PHE   A 1 67  ? -8.33737  -11.68484 -35.75778 1.000 37.99095  ? 644  PHE   A CE1  1 
ATOM   237  C CE2  . PHE   A 1 67  ? -10.11284 -12.20226 -34.24658 1.000 32.26675  ? 644  PHE   A CE2  1 
ATOM   238  C CZ   . PHE   A 1 67  ? -8.83846  -12.44018 -34.71913 1.000 36.08843  ? 644  PHE   A CZ   1 
ATOM   239  N N    . GLU   A 1 68  ? -11.57018 -6.60150  -37.74961 1.000 37.11691  ? 645  GLU   A N    1 
ATOM   240  C CA   . GLU   A 1 68  ? -12.24227 -5.48463  -38.41416 1.000 36.75014  ? 645  GLU   A CA   1 
ATOM   241  C C    . GLU   A 1 68  ? -13.73557 -5.74545  -38.58889 1.000 37.45290  ? 645  GLU   A C    1 
ATOM   242  O O    . GLU   A 1 68  ? -14.55386 -4.84381  -38.38426 1.000 40.40515  ? 645  GLU   A O    1 
ATOM   243  C CB   . GLU   A 1 68  ? -11.58433 -5.20514  -39.76582 1.000 42.51836  ? 645  GLU   A CB   1 
ATOM   244  C CG   . GLU   A 1 68  ? -12.15758 -3.97964  -40.47007 1.000 49.34503  ? 645  GLU   A CG   1 
ATOM   245  C CD   . GLU   A 1 68  ? -11.81038 -3.91415  -41.95407 1.000 56.96266  ? 645  GLU   A CD   1 
ATOM   246  O OE1  . GLU   A 1 68  ? -11.16063 -4.85436  -42.47327 1.000 60.43295  ? 645  GLU   A OE1  1 
ATOM   247  O OE2  . GLU   A 1 68  ? -12.20343 -2.91812  -42.60144 1.000 61.40171  ? 645  GLU   A OE2  1 
ATOM   248  N N    . ASN   A 1 69  ? -14.11535 -6.96482  -38.96715 1.000 37.86293  ? 646  ASN   A N    1 
ATOM   249  C CA   . ASN   A 1 69  ? -15.51174 -7.31889  -39.22323 1.000 38.46931  ? 646  ASN   A CA   1 
ATOM   250  C C    . ASN   A 1 69  ? -15.85736 -8.51588  -38.35234 1.000 33.08987  ? 646  ASN   A C    1 
ATOM   251  O O    . ASN   A 1 69  ? -15.37190 -9.62351  -38.60401 1.000 31.81605  ? 646  ASN   A O    1 
ATOM   252  C CB   . ASN   A 1 69  ? -15.74935 -7.64741  -40.70069 1.000 39.75487  ? 646  ASN   A CB   1 
ATOM   253  C CG   . ASN   A 1 69  ? -15.67164 -6.42476  -41.58865 1.000 49.60322  ? 646  ASN   A CG   1 
ATOM   254  O OD1  . ASN   A 1 69  ? -14.99405 -6.43171  -42.61870 1.000 56.24230  ? 646  ASN   A OD1  1 
ATOM   255  N ND2  . ASN   A 1 69  ? -16.36095 -5.35605  -41.18657 1.000 48.58619  ? 646  ASN   A ND2  1 
ATOM   256  N N    . THR   A 1 70  ? -16.69514 -8.29528  -37.34084 1.000 31.92308  ? 647  THR   A N    1 
ATOM   257  C CA   . THR   A 1 70  ? -17.05090 -9.32980  -36.37981 1.000 28.77886  ? 647  THR   A CA   1 
ATOM   258  C C    . THR   A 1 70  ? -18.55454 -9.36863  -36.14727 1.000 32.19412  ? 647  THR   A C    1 
ATOM   259  O O    . THR   A 1 70  ? -19.27697 -8.38285  -36.34352 1.000 31.18737  ? 647  THR   A O    1 
ATOM   260  C CB   . THR   A 1 70  ? -16.38772 -9.10056  -35.01937 1.000 30.61166  ? 647  THR   A CB   1 
ATOM   261  O OG1  . THR   A 1 70  ? -16.92755 -7.89952  -34.44409 1.000 29.42549  ? 647  THR   A OG1  1 
ATOM   262  C CG2  . THR   A 1 70  ? -14.88215 -8.96623  -35.14923 1.000 29.98636  ? 647  THR   A CG2  1 
ATOM   263  N N    . THR   A 1 71  ? -19.00131 -10.53179 -35.69195 1.000 27.32150  ? 648  THR   A N    1 
ATOM   264  C CA   . THR   A 1 71  ? -20.27501 -10.70566 -35.01373 1.000 25.93046  ? 648  THR   A CA   1 
ATOM   265  C C    . THR   A 1 71  ? -19.94736 -11.10423 -33.58171 1.000 27.70653  ? 648  THR   A C    1 
ATOM   266  O O    . THR   A 1 71  ? -19.24528 -12.09674 -33.35746 1.000 25.49171  ? 648  THR   A O    1 
ATOM   267  C CB   . THR   A 1 71  ? -21.12481 -11.78141 -35.69664 1.000 29.21277  ? 648  THR   A CB   1 
ATOM   268  O OG1  . THR   A 1 71  ? -21.47814 -11.35987 -37.02741 1.000 34.13500  ? 648  THR   A OG1  1 
ATOM   269  C CG2  . THR   A 1 71  ? -22.39177 -12.06245 -34.90586 1.000 30.53696  ? 648  THR   A CG2  1 
ATOM   270  N N    . LEU   A 1 72  ? -20.42425 -10.32533 -32.61749 1.000 25.02480  ? 649  LEU   A N    1 
ATOM   271  C CA   . LEU   A 1 72  ? -20.19370 -10.62931 -31.20681 1.000 21.57368  ? 649  LEU   A CA   1 
ATOM   272  C C    . LEU   A 1 72  ? -21.43297 -11.29857 -30.63252 1.000 25.65187  ? 649  LEU   A C    1 
ATOM   273  O O    . LEU   A 1 72  ? -22.50338 -10.67445 -30.55527 1.000 23.96769  ? 649  LEU   A O    1 
ATOM   274  C CB   . LEU   A 1 72  ? -19.86010 -9.37012  -30.40860 1.000 24.43777  ? 649  LEU   A CB   1 
ATOM   275  C CG   . LEU   A 1 72  ? -19.64917 -9.60863  -28.90133 1.000 24.40620  ? 649  LEU   A CG   1 
ATOM   276  C CD1  . LEU   A 1 72  ? -18.57511 -10.66913 -28.60447 1.000 22.21925  ? 649  LEU   A CD1  1 
ATOM   277  C CD2  . LEU   A 1 72  ? -19.32467 -8.29124  -28.18789 1.000 22.71571  ? 649  LEU   A CD2  1 
ATOM   278  N N    . ILE   A 1 73  ? -21.28476 -12.57122 -30.25151 1.000 23.93311  ? 650  ILE   A N    1 
ATOM   279  C CA   . ILE   A 1 73  ? -22.30676 -13.33104 -29.54444 1.000 22.59911  ? 650  ILE   A CA   1 
ATOM   280  C C    . ILE   A 1 73  ? -21.94444 -13.32390 -28.06854 1.000 23.37602  ? 650  ILE   A C    1 
ATOM   281  O O    . ILE   A 1 73  ? -20.79192 -13.58014 -27.70873 1.000 25.87550  ? 650  ILE   A O    1 
ATOM   282  C CB   . ILE   A 1 73  ? -22.38843 -14.77179 -30.07565 1.000 25.99116  ? 650  ILE   A CB   1 
ATOM   283  C CG1  . ILE   A 1 73  ? -22.62160 -14.77842 -31.58342 1.000 26.68975  ? 650  ILE   A CG1  1 
ATOM   284  C CG2  . ILE   A 1 73  ? -23.48167 -15.54239 -29.35903 1.000 27.11763  ? 650  ILE   A CG2  1 
ATOM   285  C CD1  . ILE   A 1 73  ? -22.70505 -16.18714 -32.16409 1.000 29.06340  ? 650  ILE   A CD1  1 
ATOM   286  N N    . VAL   A 1 74  ? -22.90898 -13.01115 -27.21385 1.000 22.42842  ? 651  VAL   A N    1 
ATOM   287  C CA   . VAL   A 1 74  ? -22.68321 -12.94169 -25.77449 1.000 22.78936  ? 651  VAL   A CA   1 
ATOM   288  C C    . VAL   A 1 74  ? -23.54984 -13.99705 -25.10165 1.000 24.65389  ? 651  VAL   A C    1 
ATOM   289  O O    . VAL   A 1 74  ? -24.76224 -14.06660 -25.34449 1.000 27.00585  ? 651  VAL   A O    1 
ATOM   290  C CB   . VAL   A 1 74  ? -22.98715 -11.53948 -25.22474 1.000 23.53962  ? 651  VAL   A CB   1 
ATOM   291  C CG1  . VAL   A 1 74  ? -22.82169 -11.53000 -23.69731 1.000 26.76563  ? 651  VAL   A CG1  1 
ATOM   292  C CG2  . VAL   A 1 74  ? -22.06075 -10.54285 -25.87436 1.000 24.20040  ? 651  VAL   A CG2  1 
ATOM   293  N N    . GLY   A 1 75  ? -22.92424 -14.84158 -24.29262 1.000 24.57796  ? 652  GLY   A N    1 
ATOM   294  C CA   . GLY   A 1 75  ? -23.64251 -15.86019 -23.54254 1.000 24.30694  ? 652  GLY   A CA   1 
ATOM   295  C C    . GLY   A 1 75  ? -23.82912 -15.37567 -22.11450 1.000 24.50624  ? 652  GLY   A C    1 
ATOM   296  O O    . GLY   A 1 75  ? -22.90640 -14.83168 -21.51313 1.000 25.70266  ? 652  GLY   A O    1 
ATOM   297  N N    . VAL   A 1 76  ? -25.02955 -15.58934 -21.58439 1.000 24.66132  ? 653  VAL   A N    1 
ATOM   298  C CA   . VAL   A 1 76  ? -25.40603 -15.11672 -20.25350 1.000 24.50162  ? 653  VAL   A CA   1 
ATOM   299  C C    . VAL   A 1 76  ? -25.75386 -16.34489 -19.42042 1.000 25.68444  ? 653  VAL   A C    1 
ATOM   300  O O    . VAL   A 1 76  ? -26.65082 -17.11212 -19.78914 1.000 26.47466  ? 653  VAL   A O    1 
ATOM   301  C CB   . VAL   A 1 76  ? -26.58398 -14.12688 -20.30765 1.000 24.50329  ? 653  VAL   A CB   1 
ATOM   302  C CG1  . VAL   A 1 76  ? -26.87813 -13.54015 -18.90898 1.000 25.50835  ? 653  VAL   A CG1  1 
ATOM   303  C CG2  . VAL   A 1 76  ? -26.29248 -12.99248 -21.30166 1.000 26.84597  ? 653  VAL   A CG2  1 
ATOM   304  N N    . THR   A 1 77  ? -25.07166 -16.51481 -18.28912 1.000 27.24613  ? 654  THR   A N    1 
ATOM   305  C CA   . THR   A 1 77  ? -25.20276 -17.74708 -17.51357 1.000 28.14482  ? 654  THR   A CA   1 
ATOM   306  C C    . THR   A 1 77  ? -26.53513 -17.80420 -16.76758 1.000 30.26291  ? 654  THR   A C    1 
ATOM   307  O O    . THR   A 1 77  ? -27.10428 -16.77787 -16.38150 1.000 28.33734  ? 654  THR   A O    1 
ATOM   308  C CB   . THR   A 1 77  ? -24.04947 -17.86927 -16.52245 1.000 29.07030  ? 654  THR   A CB   1 
ATOM   309  O OG1  . THR   A 1 77  ? -23.96829 -16.66628 -15.75065 1.000 28.22432  ? 654  THR   A OG1  1 
ATOM   310  C CG2  . THR   A 1 77  ? -22.73473 -18.06953 -17.26502 1.000 32.56932  ? 654  THR   A CG2  1 
ATOM   311  N N    . SER   A 1 78  ? -27.02406 -19.02824 -16.54780 1.000 27.71585  ? 655  SER   A N    1 
ATOM   312  C CA   . SER   A 1 78  ? -28.32372 -19.20809 -15.91896 1.000 31.57886  ? 655  SER   A CA   1 
ATOM   313  C C    . SER   A 1 78  ? -28.25806 -18.88700 -14.42525 1.000 31.03256  ? 655  SER   A C    1 
ATOM   314  O O    . SER   A 1 78  ? -27.19251 -18.92245 -13.80429 1.000 30.81322  ? 655  SER   A O    1 
ATOM   315  C CB   . SER   A 1 78  ? -28.81581 -20.63783 -16.10819 1.000 33.13030  ? 655  SER   A CB   1 
ATOM   316  O OG   . SER   A 1 78  ? -27.99449 -21.52559 -15.37111 1.000 35.38644  ? 655  SER   A OG   1 
ATOM   317  N N    . ASP   A 1 79  ? -29.42510 -18.56766 -13.85001 1.000 33.69630  ? 656  ASP   A N    1 
ATOM   318  C CA   . ASP   A 1 79  ? -29.50550 -18.32589 -12.40473 1.000 35.65496  ? 656  ASP   A CA   1 
ATOM   319  C C    . ASP   A 1 79  ? -28.96962 -19.51271 -11.61422 1.000 36.80881  ? 656  ASP   A C    1 
ATOM   320  O O    . ASP   A 1 79  ? -28.14944 -19.35013 -10.70132 1.000 39.77356  ? 656  ASP   A O    1 
ATOM   321  C CB   . ASP   A 1 79  ? -30.95116 -18.05795 -11.96984 1.000 38.05510  ? 656  ASP   A CB   1 
ATOM   322  C CG   . ASP   A 1 79  ? -31.48143 -16.71732 -12.44856 1.000 37.73231  ? 656  ASP   A CG   1 
ATOM   323  O OD1  . ASP   A 1 79  ? -30.71603 -15.96576 -13.07071 1.000 35.64823  ? 656  ASP   A OD1  1 
ATOM   324  O OD2  . ASP   A 1 79  ? -32.66568 -16.41516 -12.16918 1.000 41.98777  ? 656  ASP   A OD2  1 
ATOM   325  N N    . ASN   A 1 80  ? -29.45376 -20.71887 -11.92750 1.000 37.57276  ? 657  ASN   A N    1 
ATOM   326  C CA   . ASN   A 1 80  ? -29.13856 -21.88039 -11.09755 1.000 40.46491  ? 657  ASN   A CA   1 
ATOM   327  C C    . ASN   A 1 80  ? -27.65134 -22.20074 -11.13287 1.000 40.14802  ? 657  ASN   A C    1 
ATOM   328  O O    . ASN   A 1 80  ? -27.03457 -22.46950 -10.09367 1.000 41.85879  ? 657  ASN   A O    1 
ATOM   329  C CB   . ASN   A 1 80  ? -29.94975 -23.09434 -11.55646 1.000 44.02891  ? 657  ASN   A CB   1 
ATOM   330  C CG   . ASN   A 1 80  ? -31.36007 -23.09816 -11.00278 1.000 51.65454  ? 657  ASN   A CG   1 
ATOM   331  O OD1  . ASN   A 1 80  ? -31.81005 -22.11259 -10.41897 1.000 56.87970  ? 657  ASN   A OD1  1 
ATOM   332  N ND2  . ASN   A 1 80  ? -32.06583 -24.21006 -11.17959 1.000 59.79384  ? 657  ASN   A ND2  1 
ATOM   333  N N    . GLU   A 1 81  ? -27.06483 -22.21743 -12.33011 1.000 37.51859  ? 658  GLU   A N    1 
ATOM   334  C CA   . GLU   A 1 81  ? -25.66589 -22.61000 -12.44956 1.000 39.00518  ? 658  GLU   A CA   1 
ATOM   335  C C    . GLU   A 1 81  ? -24.73810 -21.55515 -11.85811 1.000 41.02003  ? 658  GLU   A C    1 
ATOM   336  O O    . GLU   A 1 81  ? -23.73526 -21.89217 -11.21582 1.000 44.24158  ? 658  GLU   A O    1 
ATOM   337  C CB   . GLU   A 1 81  ? -25.33295 -22.88464 -13.91376 1.000 39.27239  ? 658  GLU   A CB   1 
ATOM   338  C CG   . GLU   A 1 81  ? -25.84917 -24.24157 -14.35473 1.000 38.26308  ? 658  GLU   A CG   1 
ATOM   339  C CD   . GLU   A 1 81  ? -25.83931 -24.39610 -15.85127 1.000 38.65476  ? 658  GLU   A CD   1 
ATOM   340  O OE1  . GLU   A 1 81  ? -26.14020 -23.39743 -16.54500 1.000 38.64670  ? 658  GLU   A OE1  1 
ATOM   341  O OE2  . GLU   A 1 81  ? -25.51719 -25.51249 -16.32200 1.000 38.68736  ? 658  GLU   A OE2  1 
ATOM   342  N N    . THR   A 1 82  ? -25.05422 -20.27597 -12.05662 1.000 36.39313  ? 659  THR   A N    1 
ATOM   343  C CA   . THR   A 1 82  ? -24.24918 -19.22215 -11.44878 1.000 40.39020  ? 659  THR   A CA   1 
ATOM   344  C C    . THR   A 1 82  ? -24.25347 -19.35567 -9.93221  1.000 39.62731  ? 659  THR   A C    1 
ATOM   345  O O    . THR   A 1 82  ? -23.20093 -19.31885 -9.28265  1.000 41.05303  ? 659  THR   A O    1 
ATOM   346  C CB   . THR   A 1 82  ? -24.77525 -17.84581 -11.86534 1.000 36.59582  ? 659  THR   A CB   1 
ATOM   347  O OG1  . THR   A 1 82  ? -24.81756 -17.74598 -13.29798 1.000 33.48455  ? 659  THR   A OG1  1 
ATOM   348  C CG2  . THR   A 1 82  ? -23.88653 -16.74987 -11.30265 1.000 38.97881  ? 659  THR   A CG2  1 
ATOM   349  N N    . LYS   A 1 83  ? -25.43931 -19.54197 -9.35585  1.000 38.64698  ? 660  LYS   A N    1 
ATOM   350  C CA   . LYS   A 1 83  ? -25.55618 -19.65720 -7.90704  1.000 41.74640  ? 660  LYS   A CA   1 
ATOM   351  C C    . LYS   A 1 83  ? -24.82601 -20.89235 -7.38936  1.000 46.65880  ? 660  LYS   A C    1 
ATOM   352  O O    . LYS   A 1 83  ? -24.19526 -20.85457 -6.32589  1.000 46.53644  ? 660  LYS   A O    1 
ATOM   353  C CB   . LYS   A 1 83  ? -27.03465 -19.68938 -7.52448  1.000 40.54497  ? 660  LYS   A CB   1 
ATOM   354  N N    . LEU   A 1 84  ? -24.88190 -21.99322 -8.13852  1.000 45.00123  ? 661  LEU   A N    1 
ATOM   355  C CA   . LEU   A 1 84  ? -24.28128 -23.23546 -7.66802  1.000 47.81499  ? 661  LEU   A CA   1 
ATOM   356  C C    . LEU   A 1 84  ? -22.75943 -23.18906 -7.74212  1.000 46.38491  ? 661  LEU   A C    1 
ATOM   357  O O    . LEU   A 1 84  ? -22.07423 -23.61732 -6.80506  1.000 46.27695  ? 661  LEU   A O    1 
ATOM   358  C CB   . LEU   A 1 84  ? -24.82337 -24.41120 -8.48058  1.000 47.62233  ? 661  LEU   A CB   1 
ATOM   359  C CG   . LEU   A 1 84  ? -24.17721 -25.76755 -8.21181  1.000 53.60001  ? 661  LEU   A CG   1 
ATOM   360  C CD1  . LEU   A 1 84  ? -24.39214 -26.21037 -6.76277  1.000 55.03172  ? 661  LEU   A CD1  1 
ATOM   361  C CD2  . LEU   A 1 84  ? -24.72108 -26.79584 -9.18913  1.000 55.14819  ? 661  LEU   A CD2  1 
ATOM   362  N N    . PHE   A 1 85  ? -22.21596 -22.66545 -8.83941  1.000 46.78551  ? 662  PHE   A N    1 
ATOM   363  C CA   . PHE   A 1 85  ? -20.79017 -22.73913 -9.13182  1.000 47.29364  ? 662  PHE   A CA   1 
ATOM   364  C C    . PHE   A 1 85  ? -20.02184 -21.46797 -8.80195  1.000 48.26698  ? 662  PHE   A C    1 
ATOM   365  O O    . PHE   A 1 85  ? -18.79022 -21.52036 -8.71373  1.000 53.20277  ? 662  PHE   A O    1 
ATOM   366  C CB   . PHE   A 1 85  ? -20.57306 -23.04980 -10.62235 1.000 46.38788  ? 662  PHE   A CB   1 
ATOM   367  C CG   . PHE   A 1 85  ? -21.10197 -24.38745 -11.04761 1.000 44.84356  ? 662  PHE   A CG   1 
ATOM   368  C CD1  . PHE   A 1 85  ? -20.82754 -25.52166 -10.31348 1.000 53.19255  ? 662  PHE   A CD1  1 
ATOM   369  C CD2  . PHE   A 1 85  ? -21.87767 -24.50118 -12.18739 1.000 47.00850  ? 662  PHE   A CD2  1 
ATOM   370  C CE1  . PHE   A 1 85  ? -21.31723 -26.75302 -10.70833 1.000 56.07863  ? 662  PHE   A CE1  1 
ATOM   371  C CE2  . PHE   A 1 85  ? -22.36930 -25.72456 -12.58911 1.000 46.07803  ? 662  PHE   A CE2  1 
ATOM   372  C CZ   . PHE   A 1 85  ? -22.08575 -26.85088 -11.85454 1.000 49.34490  ? 662  PHE   A CZ   1 
ATOM   373  N N    . LYS   A 1 86  ? -20.69977 -20.33225 -8.64282  1.000 48.90681  ? 663  LYS   A N    1 
ATOM   374  C CA   . LYS   A 1 86  ? -19.98979 -19.06123 -8.54147  1.000 50.93450  ? 663  LYS   A CA   1 
ATOM   375  C C    . LYS   A 1 86  ? -20.48874 -18.22371 -7.37104  1.000 50.62211  ? 663  LYS   A C    1 
ATOM   376  O O    . LYS   A 1 86  ? -19.69200 -17.78846 -6.53356  1.000 56.41514  ? 663  LYS   A O    1 
ATOM   377  C CB   . LYS   A 1 86  ? -20.11412 -18.27990 -9.85526  1.000 46.85280  ? 663  LYS   A CB   1 
ATOM   378  C CG   . LYS   A 1 86  ? -19.08811 -17.16501 -10.02455 1.000 51.06445  ? 663  LYS   A CG   1 
ATOM   379  C CD   . LYS   A 1 86  ? -19.13211 -16.59596 -11.43710 1.000 49.55819  ? 663  LYS   A CD   1 
ATOM   380  C CE   . LYS   A 1 86  ? -18.10538 -15.49463 -11.63122 1.000 59.04365  ? 663  LYS   A CE   1 
ATOM   381  N NZ   . LYS   A 1 86  ? -18.32929 -14.34662 -10.70588 1.000 60.30028  ? 663  LYS   A NZ   1 
ATOM   382  N N    . GLY   A 1 87  ? -21.79160 -18.00373 -7.29116  1.000 46.38427  ? 664  GLY   A N    1 
ATOM   383  C CA   . GLY   A 1 87  ? -22.34371 -17.16846 -6.24230  1.000 50.03689  ? 664  GLY   A CA   1 
ATOM   384  C C    . GLY   A 1 87  ? -23.72704 -16.68347 -6.60478  1.000 48.80655  ? 664  GLY   A C    1 
ATOM   385  O O    . GLY   A 1 87  ? -24.19084 -16.83319 -7.73451  1.000 50.69336  ? 664  GLY   A O    1 
ATOM   386  N N    . GLN   A 1 88  ? -24.39546 -16.09280 -5.61280  1.000 48.92238  ? 665  GLN   A N    1 
ATOM   387  C CA   . GLN   A 1 88  ? -25.76708 -15.64824 -5.82418  1.000 50.95805  ? 665  GLN   A CA   1 
ATOM   388  C C    . GLN   A 1 88  ? -25.79470 -14.45774 -6.77290  1.000 50.83992  ? 665  GLN   A C    1 
ATOM   389  O O    . GLN   A 1 88  ? -24.97102 -13.54176 -6.68456  1.000 53.02502  ? 665  GLN   A O    1 
ATOM   390  C CB   . GLN   A 1 88  ? -26.44041 -15.28388 -4.50019  1.000 55.27516  ? 665  GLN   A CB   1 
ATOM   391  N N    . VAL   A 1 89  ? -26.72220 -14.48599 -7.69430  1.000 53.10497  ? 666  VAL   A N    1 
ATOM   392  C CA   . VAL   A 1 89  ? -26.87857 -13.39945 -8.64536  1.000 40.56072  ? 666  VAL   A CA   1 
ATOM   393  C C    . VAL   A 1 89  ? -27.87331 -12.40608 -8.05945  1.000 40.30796  ? 666  VAL   A C    1 
ATOM   394  O O    . VAL   A 1 89  ? -28.81536 -12.79297 -7.35024  1.000 41.87536  ? 666  VAL   A O    1 
ATOM   395  C CB   . VAL   A 1 89  ? -27.32657 -13.94731 -10.01354 1.000 44.28851  ? 666  VAL   A CB   1 
ATOM   396  C CG1  . VAL   A 1 89  ? -28.84649 -14.21336 -10.03893 1.000 41.40167  ? 666  VAL   A CG1  1 
ATOM   397  C CG2  . VAL   A 1 89  ? -26.90407 -13.01980 -11.10102 1.000 39.36867  ? 666  VAL   A CG2  1 
ATOM   398  N N    . VAL   A 1 90  ? -27.63399 -11.11529 -8.29578  1.000 36.98914  ? 667  VAL   A N    1 
ATOM   399  C CA   . VAL   A 1 90  ? -28.59157 -10.10431 -7.86531  1.000 37.13588  ? 667  VAL   A CA   1 
ATOM   400  C C    . VAL   A 1 90  ? -29.80046 -10.09674 -8.78877  1.000 34.18003  ? 667  VAL   A C    1 
ATOM   401  O O    . VAL   A 1 90  ? -30.95002 -10.06251 -8.33366  1.000 36.13453  ? 667  VAL   A O    1 
ATOM   402  C CB   . VAL   A 1 90  ? -27.92675 -8.71323  -7.80893  1.000 38.17490  ? 667  VAL   A CB   1 
ATOM   403  C CG1  . VAL   A 1 90  ? -28.96829 -7.64936  -7.50933  1.000 39.45345  ? 667  VAL   A CG1  1 
ATOM   404  C CG2  . VAL   A 1 90  ? -26.81705 -8.69578  -6.76400  1.000 40.67833  ? 667  VAL   A CG2  1 
ATOM   405  N N    . GLN   A 1 91  ? -29.55222 -10.12137 -10.09481 1.000 32.60805  ? 668  GLN   A N    1 
ATOM   406  C CA   . GLN   A 1 91  ? -30.58174 -9.98771  -11.10929 1.000 31.31861  ? 668  GLN   A CA   1 
ATOM   407  C C    . GLN   A 1 91  ? -30.82371 -11.31917 -11.80288 1.000 32.79849  ? 668  GLN   A C    1 
ATOM   408  O O    . GLN   A 1 91  ? -29.88034 -12.06328 -12.08418 1.000 30.79597  ? 668  GLN   A O    1 
ATOM   409  C CB   . GLN   A 1 91  ? -30.17883 -8.95989  -12.16050 1.000 31.07757  ? 668  GLN   A CB   1 
ATOM   410  C CG   . GLN   A 1 91  ? -30.04095 -7.55952  -11.62478 1.000 33.65945  ? 668  GLN   A CG   1 
ATOM   411  C CD   . GLN   A 1 91  ? -29.68030 -6.60563  -12.72336 1.000 31.11399  ? 668  GLN   A CD   1 
ATOM   412  O OE1  . GLN   A 1 91  ? -28.54463 -6.59038  -13.18896 1.000 29.40314  ? 668  GLN   A OE1  1 
ATOM   413  N NE2  . GLN   A 1 91  ? -30.65857 -5.84046  -13.18617 1.000 28.37150  ? 668  GLN   A NE2  1 
ATOM   414  N N    . THR   A 1 92  ? -32.08981 -11.59816 -12.08807 1.000 32.81960  ? 669  THR   A N    1 
ATOM   415  C CA   . THR   A 1 92  ? -32.47395 -12.81790 -12.78149 1.000 32.10206  ? 669  THR   A CA   1 
ATOM   416  C C    . THR   A 1 92  ? -31.93536 -12.81144 -14.21043 1.000 30.02999  ? 669  THR   A C    1 
ATOM   417  O O    . THR   A 1 92  ? -31.53219 -11.77776 -14.74208 1.000 27.11469  ? 669  THR   A O    1 
ATOM   418  C CB   . THR   A 1 92  ? -33.99588 -12.95603 -12.78369 1.000 33.53459  ? 669  THR   A CB   1 
ATOM   419  O OG1  . THR   A 1 92  ? -34.34859 -14.30904 -13.09186 1.000 38.24885  ? 669  THR   A OG1  1 
ATOM   420  C CG2  . THR   A 1 92  ? -34.61573 -11.99938 -13.79802 1.000 29.43868  ? 669  THR   A CG2  1 
ATOM   421  N N    . LEU   A 1 93  ? -31.93352 -13.99278 -14.83707 1.000 28.38956  ? 670  LEU   A N    1 
ATOM   422  C CA   . LEU   A 1 93  ? -31.39788 -14.11095 -16.19094 1.000 28.18999  ? 670  LEU   A CA   1 
ATOM   423  C C    . LEU   A 1 93  ? -32.08510 -13.14435 -17.14475 1.000 27.32478  ? 670  LEU   A C    1 
ATOM   424  O O    . LEU   A 1 93  ? -31.42565 -12.45281 -17.92662 1.000 25.78165  ? 670  LEU   A O    1 
ATOM   425  C CB   . LEU   A 1 93  ? -31.55180 -15.54675 -16.68874 1.000 28.15368  ? 670  LEU   A CB   1 
ATOM   426  C CG   . LEU   A 1 93  ? -31.25252 -15.80871 -18.16964 1.000 29.49656  ? 670  LEU   A CG   1 
ATOM   427  C CD1  . LEU   A 1 93  ? -29.76282 -15.69575 -18.47002 1.000 25.21602  ? 670  LEU   A CD1  1 
ATOM   428  C CD2  . LEU   A 1 93  ? -31.75655 -17.19409 -18.50445 1.000 29.90025  ? 670  LEU   A CD2  1 
ATOM   429  N N    . GLU   A 1 94  ? -33.41651 -13.09463 -17.10671 1.000 26.62906  ? 671  GLU   A N    1 
ATOM   430  C CA   . GLU   A 1 94  ? -34.14187 -12.22510 -18.02771 1.000 28.47432  ? 671  GLU   A CA   1 
ATOM   431  C C    . GLU   A 1 94  ? -33.73438 -10.76201 -17.85911 1.000 27.90176  ? 671  GLU   A C    1 
ATOM   432  O O    . GLU   A 1 94  ? -33.63989 -10.01751 -18.84636 1.000 26.11410  ? 671  GLU   A O    1 
ATOM   433  C CB   . GLU   A 1 94  ? -35.64581 -12.40212 -17.81642 1.000 31.86005  ? 671  GLU   A CB   1 
ATOM   434  C CG   . GLU   A 1 94  ? -36.46951 -11.65064 -18.83576 1.000 31.16706  ? 671  GLU   A CG   1 
ATOM   435  C CD   . GLU   A 1 94  ? -37.95471 -11.84945 -18.67080 1.000 38.68105  ? 671  GLU   A CD   1 
ATOM   436  O OE1  . GLU   A 1 94  ? -38.35877 -12.70514 -17.84370 1.000 39.05878  ? 671  GLU   A OE1  1 
ATOM   437  O OE2  . GLU   A 1 94  ? -38.71572 -11.15198 -19.38272 1.000 39.72457  ? 671  GLU   A OE2  1 
ATOM   438  N N    . GLU   A 1 95  ? -33.49207 -10.32495 -16.61518 1.000 27.15472  ? 672  GLU   A N    1 
ATOM   439  C CA   . GLU   A 1 95  ? -33.08513 -8.93714  -16.38289 1.000 25.64243  ? 672  GLU   A CA   1 
ATOM   440  C C    . GLU   A 1 95  ? -31.68321 -8.67287  -16.90096 1.000 24.21982  ? 672  GLU   A C    1 
ATOM   441  O O    . GLU   A 1 95  ? -31.40027 -7.59670  -17.44314 1.000 23.93737  ? 672  GLU   A O    1 
ATOM   442  C CB   . GLU   A 1 95  ? -33.09842 -8.61504  -14.89502 1.000 28.29711  ? 672  GLU   A CB   1 
ATOM   443  C CG   . GLU   A 1 95  ? -34.42706 -8.54811  -14.23371 1.000 34.66393  ? 672  GLU   A CG   1 
ATOM   444  C CD   . GLU   A 1 95  ? -34.27873 -7.99636  -12.82695 1.000 43.30070  ? 672  GLU   A CD   1 
ATOM   445  O OE1  . GLU   A 1 95  ? -34.01376 -6.77483  -12.69085 1.000 44.45911  ? 672  GLU   A OE1  1 
ATOM   446  O OE2  . GLU   A 1 95  ? -34.38186 -8.79126  -11.87425 1.000 43.49115  ? 672  GLU   A OE2  1 
ATOM   447  N N    . ARG   A 1 96  ? -30.77082 -9.61444  -16.67442 1.000 22.70332  ? 673  ARG   A N    1 
ATOM   448  C CA   . ARG   A 1 96  ? -29.39304 -9.41528  -17.10509 1.000 21.54738  ? 673  ARG   A CA   1 
ATOM   449  C C    . ARG   A 1 96  ? -29.31585 -9.34090  -18.61424 1.000 24.49391  ? 673  ARG   A C    1 
ATOM   450  O O    . ARG   A 1 96  ? -28.55519 -8.54208  -19.16983 1.000 22.93967  ? 673  ARG   A O    1 
ATOM   451  C CB   . ARG   A 1 96  ? -28.51871 -10.54974 -16.57102 1.000 23.93911  ? 673  ARG   A CB   1 
ATOM   452  C CG   . ARG   A 1 96  ? -28.33556 -10.42729 -15.05871 1.000 22.21921  ? 673  ARG   A CG   1 
ATOM   453  C CD   . ARG   A 1 96  ? -27.42526 -11.51082 -14.46629 1.000 27.53931  ? 673  ARG   A CD   1 
ATOM   454  N NE   . ARG   A 1 96  ? -28.10705 -12.78375 -14.25947 1.000 27.60586  ? 673  ARG   A NE   1 
ATOM   455  C CZ   . ARG   A 1 96  ? -27.71498 -13.94235 -14.77445 1.000 29.96755  ? 673  ARG   A CZ   1 
ATOM   456  N NH1  . ARG   A 1 96  ? -26.63892 -14.03197 -15.54016 1.000 25.35472  ? 673  ARG   A NH1  1 
ATOM   457  N NH2  . ARG   A 1 96  ? -28.42186 -15.03939 -14.51258 1.000 28.68342  ? 673  ARG   A NH2  1 
ATOM   458  N N    . THR   A 1 97  ? -30.11673 -10.16088 -19.28426 1.000 22.84855  ? 674  THR   A N    1 
ATOM   459  C CA   . THR   A 1 97  ? -30.12606 -10.19000 -20.73945 1.000 23.47830  ? 674  THR   A CA   1 
ATOM   460  C C    . THR   A 1 97  ? -30.80545 -8.94952  -21.30441 1.000 23.92875  ? 674  THR   A C    1 
ATOM   461  O O    . THR   A 1 97  ? -30.34219 -8.37954  -22.30047 1.000 25.27111  ? 674  THR   A O    1 
ATOM   462  C CB   . THR   A 1 97  ? -30.82905 -11.46238 -21.20533 1.000 24.28782  ? 674  THR   A CB   1 
ATOM   463  O OG1  . THR   A 1 97  ? -30.09205 -12.60554 -20.75362 1.000 24.36647  ? 674  THR   A OG1  1 
ATOM   464  C CG2  . THR   A 1 97  ? -30.95917 -11.51354 -22.73287 1.000 25.58278  ? 674  THR   A CG2  1 
ATOM   465  N N    . GLU   A 1 98  ? -31.91467 -8.52684  -20.69478 1.000 24.28414  ? 675  GLU   A N    1 
ATOM   466  C CA   . GLU   A 1 98  ? -32.60023 -7.33411  -21.17672 1.000 25.05078  ? 675  GLU   A CA   1 
ATOM   467  C C    . GLU   A 1 98  ? -31.69550 -6.11533  -21.09774 1.000 23.57908  ? 675  GLU   A C    1 
ATOM   468  O O    . GLU   A 1 98  ? -31.81407 -5.19889  -21.91772 1.000 26.92395  ? 675  GLU   A O    1 
ATOM   469  C CB   . GLU   A 1 98  ? -33.88930 -7.10071  -20.38193 1.000 26.81728  ? 675  GLU   A CB   1 
ATOM   470  C CG   . GLU   A 1 98  ? -34.71109 -5.92987  -20.90082 1.000 30.33081  ? 675  GLU   A CG   1 
ATOM   471  C CD   . GLU   A 1 98  ? -35.92132 -5.61098  -20.02776 1.000 39.76112  ? 675  GLU   A CD   1 
ATOM   472  O OE1  . GLU   A 1 98  ? -36.20338 -6.38598  -19.08786 1.000 42.41606  ? 675  GLU   A OE1  1 
ATOM   473  O OE2  . GLU   A 1 98  ? -36.59334 -4.58613  -20.28470 1.000 35.17856  ? 675  GLU   A OE2  1 
ATOM   474  N N    . THR   A 1 99  ? -30.77428 -6.09110  -20.13320 1.000 24.45019  ? 676  THR   A N    1 
ATOM   475  C CA   . THR   A 1 99  ? -29.86302 -4.95629  -20.03102 1.000 23.59983  ? 676  THR   A CA   1 
ATOM   476  C C    . THR   A 1 99  ? -28.76246 -5.02566  -21.09568 1.000 26.71315  ? 676  THR   A C    1 
ATOM   477  O O    . THR   A 1 99  ? -28.45291 -4.01328  -21.73023 1.000 23.48032  ? 676  THR   A O    1 
ATOM   478  C CB   . THR   A 1 99  ? -29.27311 -4.89191  -18.61829 1.000 26.19796  ? 676  THR   A CB   1 
ATOM   479  O OG1  . THR   A 1 99  ? -30.33744 -4.86234  -17.65407 1.000 25.35669  ? 676  THR   A OG1  1 
ATOM   480  C CG2  . THR   A 1 99  ? -28.42899 -3.63479  -18.45012 1.000 26.32517  ? 676  THR   A CG2  1 
ATOM   481  N N    . LEU   A 1 100 ? -28.17296 -6.21102  -21.31966 1.000 25.04317  ? 677  LEU   A N    1 
ATOM   482  C CA   . LEU   A 1 100 ? -27.14871 -6.37246  -22.35972 1.000 24.26990  ? 677  LEU   A CA   1 
ATOM   483  C C    . LEU   A 1 100 ? -27.65435 -5.99996  -23.74389 1.000 25.67287  ? 677  LEU   A C    1 
ATOM   484  O O    . LEU   A 1 100 ? -26.86559 -5.58538  -24.60509 1.000 26.87969  ? 677  LEU   A O    1 
ATOM   485  C CB   . LEU   A 1 100 ? -26.66805 -7.82756  -22.41472 1.000 24.29464  ? 677  LEU   A CB   1 
ATOM   486  C CG   . LEU   A 1 100 ? -25.49321 -8.25840  -21.56818 1.000 29.83490  ? 677  LEU   A CG   1 
ATOM   487  C CD1  . LEU   A 1 100 ? -25.33184 -9.78226  -21.71966 1.000 32.11229  ? 677  LEU   A CD1  1 
ATOM   488  C CD2  . LEU   A 1 100 ? -24.25220 -7.53276  -22.01929 1.000 25.73901  ? 677  LEU   A CD2  1 
ATOM   489  N N    . LYS   A 1 101 ? -28.94307 -6.21634  -23.99959 1.000 22.04623  ? 678  LYS   A N    1 
ATOM   490  C CA   . LYS   A 1 101 ? -29.53416 -5.89407  -25.28395 1.000 27.18534  ? 678  LYS   A CA   1 
ATOM   491  C C    . LYS   A 1 101 ? -29.29940 -4.43995  -25.68451 1.000 26.72083  ? 678  LYS   A C    1 
ATOM   492  O O    . LYS   A 1 101 ? -29.35086 -4.12158  -26.87675 1.000 24.46497  ? 678  LYS   A O    1 
ATOM   493  C CB   . LYS   A 1 101 ? -31.02885 -6.21304  -25.22072 1.000 27.94359  ? 678  LYS   A CB   1 
ATOM   494  C CG   . LYS   A 1 101 ? -31.90132 -5.44211  -26.17076 1.000 32.18051  ? 678  LYS   A CG   1 
ATOM   495  C CD   . LYS   A 1 101 ? -33.37244 -5.79066  -25.94796 1.000 30.46219  ? 678  LYS   A CD   1 
ATOM   496  C CE   . LYS   A 1 101 ? -34.06521 -4.80433  -25.01654 1.000 28.63647  ? 678  LYS   A CE   1 
ATOM   497  N NZ   . LYS   A 1 101 ? -35.55213 -4.96727  -25.07138 1.000 27.91776  ? 678  LYS   A NZ   1 
ATOM   498  N N    . HIS   A 1 102 ? -29.03453 -3.55824  -24.72368 1.000 23.29064  ? 679  HIS   A N    1 
ATOM   499  C CA   . HIS   A 1 102 ? -28.86503 -2.13345  -24.98816 1.000 22.57878  ? 679  HIS   A CA   1 
ATOM   500  C C    . HIS   A 1 102 ? -27.43166 -1.75263  -25.31416 1.000 22.89131  ? 679  HIS   A C    1 
ATOM   501  O O    . HIS   A 1 102 ? -27.16559 -0.57813  -25.59561 1.000 24.62074  ? 679  HIS   A O    1 
ATOM   502  C CB   . HIS   A 1 102 ? -29.35163 -1.31901  -23.77657 1.000 23.35235  ? 679  HIS   A CB   1 
ATOM   503  C CG   . HIS   A 1 102 ? -30.81481 -1.46832  -23.51663 1.000 21.85869  ? 679  HIS   A CG   1 
ATOM   504  N ND1  . HIS   A 1 102 ? -31.76469 -0.71601  -24.17036 1.000 23.08325  ? 679  HIS   A ND1  1 
ATOM   505  C CD2  . HIS   A 1 102 ? -31.49420 -2.31351  -22.70369 1.000 24.53032  ? 679  HIS   A CD2  1 
ATOM   506  C CE1  . HIS   A 1 102 ? -32.96947 -1.08229  -23.76265 1.000 24.99487  ? 679  HIS   A CE1  1 
ATOM   507  N NE2  . HIS   A 1 102 ? -32.83224 -2.04721  -22.86970 1.000 25.75105  ? 679  HIS   A NE2  1 
ATOM   508  N N    . ILE   A 1 103 ? -26.50524 -2.69833  -25.29274 1.000 20.08505  ? 680  ILE   A N    1 
ATOM   509  C CA   . ILE   A 1 103 ? -25.08970 -2.38991  -25.43096 1.000 20.28280  ? 680  ILE   A CA   1 
ATOM   510  C C    . ILE   A 1 103 ? -24.70537 -2.45933  -26.90703 1.000 22.93206  ? 680  ILE   A C    1 
ATOM   511  O O    . ILE   A 1 103 ? -24.97349 -3.46125  -27.58285 1.000 24.45194  ? 680  ILE   A O    1 
ATOM   512  C CB   . ILE   A 1 103 ? -24.24244 -3.35210  -24.58619 1.000 22.43080  ? 680  ILE   A CB   1 
ATOM   513  C CG1  . ILE   A 1 103 ? -24.68795 -3.25380  -23.11412 1.000 19.56868  ? 680  ILE   A CG1  1 
ATOM   514  C CG2  . ILE   A 1 103 ? -22.75970 -3.02043  -24.73547 1.000 21.94743  ? 680  ILE   A CG2  1 
ATOM   515  C CD1  . ILE   A 1 103 ? -24.70838 -1.77160  -22.56319 1.000 18.86404  ? 680  ILE   A CD1  1 
ATOM   516  N N    . ARG   A 1 104 ? -24.04802 -1.39722  -27.38528 1.000 21.24601  ? 681  ARG   A N    1 
ATOM   517  C CA   . ARG   A 1 104 ? -23.77018 -1.20763  -28.80988 1.000 20.89131  ? 681  ARG   A CA   1 
ATOM   518  C C    . ARG   A 1 104 ? -23.04689 -2.40438  -29.40796 1.000 23.59302  ? 681  ARG   A C    1 
ATOM   519  O O    . ARG   A 1 104 ? -23.25878 -2.75186  -30.58002 1.000 24.64487  ? 681  ARG   A O    1 
ATOM   520  C CB   . ARG   A 1 104 ? -22.92066 0.05521   -28.97873 1.000 23.33552  ? 681  ARG   A CB   1 
ATOM   521  C CG   . ARG   A 1 104 ? -22.65612 0.49534   -30.37247 1.000 32.44967  ? 681  ARG   A CG   1 
ATOM   522  C CD   . ARG   A 1 104 ? -21.67645 1.65778   -30.36676 1.000 30.20344  ? 681  ARG   A CD   1 
ATOM   523  N NE   . ARG   A 1 104 ? -22.10783 2.74743   -29.49834 1.000 29.16567  ? 681  ARG   A NE   1 
ATOM   524  C CZ   . ARG   A 1 104 ? -22.96526 3.69071   -29.86538 1.000 31.26021  ? 681  ARG   A CZ   1 
ATOM   525  N NH1  . ARG   A 1 104 ? -23.60339 3.63082   -31.02233 1.000 32.44311  ? 681  ARG   A NH1  1 
ATOM   526  N NH2  . ARG   A 1 104 ? -23.17862 4.72572   -29.05735 1.000 27.62996  ? 681  ARG   A NH2  1 
ATOM   527  N N    . TRP   A 1 105 ? -22.14523 -3.00902  -28.63991 1.000 22.26552  ? 682  TRP   A N    1 
ATOM   528  C CA   . TRP   A 1 105 ? -21.21276 -3.98426  -29.18518 1.000 23.75014  ? 682  TRP   A CA   1 
ATOM   529  C C    . TRP   A 1 105 ? -21.84129 -5.35316  -29.36298 1.000 24.41011  ? 682  TRP   A C    1 
ATOM   530  O O    . TRP   A 1 105 ? -21.23354 -6.20642  -30.01734 1.000 24.01639  ? 682  TRP   A O    1 
ATOM   531  C CB   . TRP   A 1 105 ? -19.99139 -4.10604  -28.27219 1.000 22.11815  ? 682  TRP   A CB   1 
ATOM   532  C CG   . TRP   A 1 105 ? -19.56383 -2.77908  -27.73402 1.000 24.72624  ? 682  TRP   A CG   1 
ATOM   533  C CD1  . TRP   A 1 105 ? -19.59384 -2.36253  -26.42159 1.000 23.34108  ? 682  TRP   A CD1  1 
ATOM   534  C CD2  . TRP   A 1 105 ? -19.06623 -1.68066  -28.49270 1.000 25.13725  ? 682  TRP   A CD2  1 
ATOM   535  N NE1  . TRP   A 1 105 ? -19.14109 -1.06616  -26.32541 1.000 25.43820  ? 682  TRP   A NE1  1 
ATOM   536  C CE2  . TRP   A 1 105 ? -18.80964 -0.62140  -27.58328 1.000 26.38141  ? 682  TRP   A CE2  1 
ATOM   537  C CE3  . TRP   A 1 105 ? -18.81027 -1.47953  -29.85743 1.000 26.20954  ? 682  TRP   A CE3  1 
ATOM   538  C CZ2  . TRP   A 1 105 ? -18.30829 0.61373   -27.99938 1.000 26.95549  ? 682  TRP   A CZ2  1 
ATOM   539  C CZ3  . TRP   A 1 105 ? -18.32133 -0.24683  -30.26366 1.000 25.92876  ? 682  TRP   A CZ3  1 
ATOM   540  C CH2  . TRP   A 1 105 ? -18.07677 0.78227   -29.33969 1.000 27.48290  ? 682  TRP   A CH2  1 
ATOM   541  N N    . VAL   A 1 106 ? -23.02958 -5.56661  -28.80546 1.000 23.67149  ? 683  VAL   A N    1 
ATOM   542  C CA   . VAL   A 1 106 ? -23.63811 -6.89103  -28.70379 1.000 23.82630  ? 683  VAL   A CA   1 
ATOM   543  C C    . VAL   A 1 106 ? -24.47098 -7.14310  -29.95240 1.000 26.53148  ? 683  VAL   A C    1 
ATOM   544  O O    . VAL   A 1 106 ? -25.42971 -6.41670  -30.23201 1.000 27.61856  ? 683  VAL   A O    1 
ATOM   545  C CB   . VAL   A 1 106 ? -24.49773 -7.00096  -27.43606 1.000 25.00645  ? 683  VAL   A CB   1 
ATOM   546  C CG1  . VAL   A 1 106 ? -25.23836 -8.34001  -27.38615 1.000 24.34930  ? 683  VAL   A CG1  1 
ATOM   547  C CG2  . VAL   A 1 106 ? -23.63465 -6.79793  -26.19078 1.000 23.71602  ? 683  VAL   A CG2  1 
ATOM   548  N N    . ASP   A 1 107 ? -24.10816 -8.17368  -30.71015 1.000 26.87420  ? 684  ASP   A N    1 
ATOM   549  C CA   . ASP   A 1 107 ? -24.85756 -8.52855  -31.90738 1.000 26.89774  ? 684  ASP   A CA   1 
ATOM   550  C C    . ASP   A 1 107 ? -25.86910 -9.63852  -31.67214 1.000 27.63494  ? 684  ASP   A C    1 
ATOM   551  O O    . ASP   A 1 107 ? -26.95331 -9.61028  -32.26282 1.000 26.78880  ? 684  ASP   A O    1 
ATOM   552  C CB   . ASP   A 1 107 ? -23.89682 -8.94281  -33.01812 1.000 28.14886  ? 684  ASP   A CB   1 
ATOM   553  C CG   . ASP   A 1 107 ? -22.99185 -7.80296  -33.44369 1.000 31.04160  ? 684  ASP   A CG   1 
ATOM   554  O OD1  . ASP   A 1 107 ? -23.51858 -6.69228  -33.68182 1.000 31.50576  ? 684  ASP   A OD1  1 
ATOM   555  O OD2  . ASP   A 1 107 ? -21.75963 -7.99967  -33.50652 1.000 28.43675  ? 684  ASP   A OD2  1 
ATOM   556  N N    . GLU   A 1 108 ? -25.53492 -10.61836 -30.83702 1.000 24.07120  ? 685  GLU   A N    1 
ATOM   557  C CA   . GLU   A 1 108 ? -26.42729 -11.73285 -30.55489 1.000 24.55528  ? 685  GLU   A CA   1 
ATOM   558  C C    . GLU   A 1 108 ? -26.20153 -12.14842 -29.11000 1.000 24.91678  ? 685  GLU   A C    1 
ATOM   559  O O    . GLU   A 1 108 ? -25.08229 -12.05310 -28.59944 1.000 25.50706  ? 685  GLU   A O    1 
ATOM   560  C CB   . GLU   A 1 108 ? -26.16859 -12.92600 -31.49582 1.000 23.52715  ? 685  GLU   A CB   1 
ATOM   561  C CG   . GLU   A 1 108 ? -26.35890 -12.62540 -32.97779 1.000 32.57404  ? 685  GLU   A CG   1 
ATOM   562  C CD   . GLU   A 1 108 ? -26.09663 -13.84394 -33.86939 1.000 37.00887  ? 685  GLU   A CD   1 
ATOM   563  O OE1  . GLU   A 1 108 ? -25.99657 -14.97381 -33.32833 1.000 38.35505  ? 685  GLU   A OE1  1 
ATOM   564  O OE2  . GLU   A 1 108 ? -25.99210 -13.66308 -35.10805 1.000 38.20187  ? 685  GLU   A OE2  1 
ATOM   565  N N    . ILE   A 1 109 ? -27.26413 -12.58649 -28.44566 1.000 23.72387  ? 686  ILE   A N    1 
ATOM   566  C CA   . ILE   A 1 109 ? -27.18151 -13.05998 -27.06751 1.000 24.19196  ? 686  ILE   A CA   1 
ATOM   567  C C    . ILE   A 1 109 ? -27.73876 -14.47132 -27.02346 1.000 25.28490  ? 686  ILE   A C    1 
ATOM   568  O O    . ILE   A 1 109 ? -28.79435 -14.74763 -27.60637 1.000 26.41853  ? 686  ILE   A O    1 
ATOM   569  C CB   . ILE   A 1 109 ? -27.94426 -12.14840 -26.08582 1.000 26.46943  ? 686  ILE   A CB   1 
ATOM   570  C CG1  . ILE   A 1 109 ? -27.34608 -10.74414 -26.06122 1.000 25.68740  ? 686  ILE   A CG1  1 
ATOM   571  C CG2  . ILE   A 1 109 ? -27.90204 -12.72504 -24.67729 1.000 26.60567  ? 686  ILE   A CG2  1 
ATOM   572  C CD1  . ILE   A 1 109 ? -28.09605 -9.83504  -25.12175 1.000 23.62647  ? 686  ILE   A CD1  1 
ATOM   573  N N    . ILE   A 1 110 ? -27.02176 -15.36328 -26.34947 1.000 26.23336  ? 687  ILE   A N    1 
ATOM   574  C CA   . ILE   A 1 110 ? -27.51349 -16.70411 -26.04455 1.000 26.96934  ? 687  ILE   A CA   1 
ATOM   575  C C    . ILE   A 1 110 ? -27.79286 -16.71404 -24.55032 1.000 25.52116  ? 687  ILE   A C    1 
ATOM   576  O O    . ILE   A 1 110 ? -26.86134 -16.58320 -23.74824 1.000 26.30218  ? 687  ILE   A O    1 
ATOM   577  C CB   . ILE   A 1 110 ? -26.50342 -17.79127 -26.42722 1.000 27.47606  ? 687  ILE   A CB   1 
ATOM   578  C CG1  . ILE   A 1 110 ? -26.28946 -17.79386 -27.94290 1.000 32.55364  ? 687  ILE   A CG1  1 
ATOM   579  C CG2  . ILE   A 1 110 ? -26.97855 -19.16917 -25.94199 1.000 29.00211  ? 687  ILE   A CG2  1 
ATOM   580  C CD1  . ILE   A 1 110 ? -25.09611 -18.59155 -28.37308 1.000 33.13501  ? 687  ILE   A CD1  1 
ATOM   581  N N    . SER   A 1 111 ? -29.07852 -16.83945 -24.17778 1.000 27.07145  ? 688  SER   A N    1 
ATOM   582  C CA   . SER   A 1 111 ? -29.54845 -16.65635 -22.80145 1.000 27.48620  ? 688  SER   A CA   1 
ATOM   583  C C    . SER   A 1 111 ? -30.61744 -17.69231 -22.47783 1.000 27.63832  ? 688  SER   A C    1 
ATOM   584  O O    . SER   A 1 111 ? -31.75433 -17.57231 -22.94653 1.000 31.50498  ? 688  SER   A O    1 
ATOM   585  C CB   . SER   A 1 111 ? -30.10984 -15.24246 -22.62233 1.000 27.94844  ? 688  SER   A CB   1 
ATOM   586  O OG   . SER   A 1 111 ? -30.67988 -15.06047 -21.33402 1.000 29.30893  ? 688  SER   A OG   1 
ATOM   587  N N    . PRO   A 1 112 ? -30.31348 -18.71565 -21.66989 1.000 29.90685  ? 689  PRO   A N    1 
ATOM   588  C CA   . PRO   A 1 112 ? -29.03927 -18.92570 -20.98337 1.000 28.55505  ? 689  PRO   A CA   1 
ATOM   589  C C    . PRO   A 1 112 ? -27.98721 -19.57319 -21.86431 1.000 29.84007  ? 689  PRO   A C    1 
ATOM   590  O O    . PRO   A 1 112 ? -28.31798 -20.29337 -22.81313 1.000 30.33748  ? 689  PRO   A O    1 
ATOM   591  C CB   . PRO   A 1 112 ? -29.42036 -19.87033 -19.84268 1.000 31.07287  ? 689  PRO   A CB   1 
ATOM   592  C CG   . PRO   A 1 112 ? -30.52829 -20.68463 -20.41526 1.000 32.10711  ? 689  PRO   A CG   1 
ATOM   593  C CD   . PRO   A 1 112 ? -31.30810 -19.74046 -21.30663 1.000 31.51319  ? 689  PRO   A CD   1 
ATOM   594  N N    . CYS   A 1 113 ? -26.73701 -19.35955 -21.52804 1.000 25.92628  ? 690  CYS   A N    1 
ATOM   595  C CA   . CYS   A 1 113 ? -25.68678 -20.08239 -22.21543 1.000 29.01788  ? 690  CYS   A CA   1 
ATOM   596  C C    . CYS   A 1 113 ? -25.24776 -21.28461 -21.39264 1.000 31.05713  ? 690  CYS   A C    1 
ATOM   597  O O    . CYS   A 1 113 ? -25.55139 -21.38810 -20.19787 1.000 32.87219  ? 690  CYS   A O    1 
ATOM   598  C CB   . CYS   A 1 113 ? -24.48695 -19.16798 -22.47652 1.000 28.54308  ? 690  CYS   A CB   1 
ATOM   599  S SG   . CYS   A 1 113 ? -23.64724 -18.57651 -20.97718 1.000 29.74921  ? 690  CYS   A SG   1 
ATOM   600  N N    . PRO   A 1 114 ? -24.51992 -22.21627 -21.99358 1.000 30.65634  ? 691  PRO   A N    1 
ATOM   601  C CA   . PRO   A 1 114 ? -23.97645 -23.32476 -21.20309 1.000 32.20385  ? 691  PRO   A CA   1 
ATOM   602  C C    . PRO   A 1 114 ? -22.94358 -22.79870 -20.21925 1.000 33.82089  ? 691  PRO   A C    1 
ATOM   603  O O    . PRO   A 1 114 ? -22.28166 -21.78566 -20.46146 1.000 33.21372  ? 691  PRO   A O    1 
ATOM   604  C CB   . PRO   A 1 114 ? -23.33918 -24.24361 -22.25456 1.000 35.06217  ? 691  PRO   A CB   1 
ATOM   605  C CG   . PRO   A 1 114 ? -23.90919 -23.77572 -23.57801 1.000 37.75520  ? 691  PRO   A CG   1 
ATOM   606  C CD   . PRO   A 1 114 ? -24.14407 -22.30738 -23.41422 1.000 30.99557  ? 691  PRO   A CD   1 
ATOM   607  N N    . TRP   A 1 115 ? -22.82301 -23.48541 -19.08023 1.000 35.01952  ? 692  TRP   A N    1 
ATOM   608  C CA   . TRP   A 1 115 ? -21.84447 -23.05115 -18.09053 1.000 35.93147  ? 692  TRP   A CA   1 
ATOM   609  C C    . TRP   A 1 115 ? -20.42124 -23.32142 -18.57228 1.000 36.81247  ? 692  TRP   A C    1 
ATOM   610  O O    . TRP   A 1 115 ? -19.51188 -22.51829 -18.33199 1.000 37.28299  ? 692  TRP   A O    1 
ATOM   611  C CB   . TRP   A 1 115 ? -22.10698 -23.73904 -16.74308 1.000 37.25906  ? 692  TRP   A CB   1 
ATOM   612  C CG   . TRP   A 1 115 ? -21.18638 -23.24012 -15.66855 1.000 39.24244  ? 692  TRP   A CG   1 
ATOM   613  C CD1  . TRP   A 1 115 ? -20.10393 -23.88978 -15.14930 1.000 41.46797  ? 692  TRP   A CD1  1 
ATOM   614  C CD2  . TRP   A 1 115 ? -21.25527 -21.97718 -14.99619 1.000 40.08284  ? 692  TRP   A CD2  1 
ATOM   615  N NE1  . TRP   A 1 115 ? -19.50098 -23.11395 -14.19091 1.000 42.68538  ? 692  TRP   A NE1  1 
ATOM   616  C CE2  . TRP   A 1 115 ? -20.18519 -21.93270 -14.08169 1.000 39.92823  ? 692  TRP   A CE2  1 
ATOM   617  C CE3  . TRP   A 1 115 ? -22.11901 -20.88143 -15.07744 1.000 37.18975  ? 692  TRP   A CE3  1 
ATOM   618  C CZ2  . TRP   A 1 115 ? -19.95813 -20.84043 -13.24890 1.000 42.87902  ? 692  TRP   A CZ2  1 
ATOM   619  C CZ3  . TRP   A 1 115 ? -21.89212 -19.79147 -14.24459 1.000 36.37673  ? 692  TRP   A CZ3  1 
ATOM   620  C CH2  . TRP   A 1 115 ? -20.81758 -19.77836 -13.34952 1.000 39.70891  ? 692  TRP   A CH2  1 
ATOM   621  N N    . VAL   A 1 116 ? -20.20579 -24.44932 -19.24315 1.000 35.69417  ? 693  VAL   A N    1 
ATOM   622  C CA   . VAL   A 1 116 ? -18.90334 -24.81388 -19.79166 1.000 37.93636  ? 693  VAL   A CA   1 
ATOM   623  C C    . VAL   A 1 116 ? -18.99186 -24.78539 -21.31083 1.000 36.01949  ? 693  VAL   A C    1 
ATOM   624  O O    . VAL   A 1 116 ? -19.87490 -25.42483 -21.89413 1.000 34.66661  ? 693  VAL   A O    1 
ATOM   625  C CB   . VAL   A 1 116 ? -18.44777 -26.20496 -19.31788 1.000 38.76838  ? 693  VAL   A CB   1 
ATOM   626  C CG1  . VAL   A 1 116 ? -17.05015 -26.50135 -19.85320 1.000 41.25490  ? 693  VAL   A CG1  1 
ATOM   627  C CG2  . VAL   A 1 116 ? -18.49003 -26.29951 -17.80549 1.000 42.03071  ? 693  VAL   A CG2  1 
ATOM   628  N N    . VAL   A 1 117 ? -18.06497 -24.06390 -21.94865 1.000 35.15408  ? 694  VAL   A N    1 
ATOM   629  C CA   . VAL   A 1 117 ? -17.98373 -24.05492 -23.40788 1.000 35.96560  ? 694  VAL   A CA   1 
ATOM   630  C C    . VAL   A 1 117 ? -17.41322 -25.37834 -23.89790 1.000 34.25387  ? 694  VAL   A C    1 
ATOM   631  O O    . VAL   A 1 117 ? -16.41949 -25.88169 -23.35504 1.000 33.60779  ? 694  VAL   A O    1 
ATOM   632  C CB   . VAL   A 1 117 ? -17.11487 -22.88094 -23.88804 1.000 34.25633  ? 694  VAL   A CB   1 
ATOM   633  C CG1  . VAL   A 1 117 ? -17.01989 -22.88072 -25.40456 1.000 34.92547  ? 694  VAL   A CG1  1 
ATOM   634  C CG2  . VAL   A 1 117 ? -17.68224 -21.56473 -23.39932 1.000 34.64257  ? 694  VAL   A CG2  1 
ATOM   635  N N    . THR   A 1 118 ? -18.02217 -25.94200 -24.94152 1.000 32.09028  ? 695  THR   A N    1 
ATOM   636  C CA   . THR   A 1 118 ? -17.57158 -27.18770 -25.54383 1.000 38.17924  ? 695  THR   A CA   1 
ATOM   637  C C    . THR   A 1 118 ? -17.24602 -26.98229 -27.01541 1.000 37.19508  ? 695  THR   A C    1 
ATOM   638  O O    . THR   A 1 118 ? -17.76600 -26.05539 -27.65392 1.000 34.96023  ? 695  THR   A O    1 
ATOM   639  C CB   . THR   A 1 118 ? -18.63475 -28.28937 -25.42549 1.000 38.87889  ? 695  THR   A CB   1 
ATOM   640  O OG1  . THR   A 1 118 ? -19.74334 -27.96718 -26.27402 1.000 39.28921  ? 695  THR   A OG1  1 
ATOM   641  C CG2  . THR   A 1 118 ? -19.11400 -28.42233 -23.98603 1.000 42.57418  ? 695  THR   A CG2  1 
ATOM   642  N N    . PRO   A 1 119 ? -16.39639 -27.83659 -27.59933 1.000 36.53513  ? 696  PRO   A N    1 
ATOM   643  C CA   . PRO   A 1 119 ? -16.17249 -27.76417 -29.05611 1.000 36.84180  ? 696  PRO   A CA   1 
ATOM   644  C C    . PRO   A 1 119 ? -17.45851 -27.89266 -29.85669 1.000 40.24603  ? 696  PRO   A C    1 
ATOM   645  O O    . PRO   A 1 119 ? -17.63526 -27.20051 -30.87048 1.000 38.90684  ? 696  PRO   A O    1 
ATOM   646  C CB   . PRO   A 1 119 ? -15.22033 -28.93778 -29.33665 1.000 40.64049  ? 696  PRO   A CB   1 
ATOM   647  C CG   . PRO   A 1 119 ? -14.65052 -29.33871 -28.01759 1.000 41.82077  ? 696  PRO   A CG   1 
ATOM   648  C CD   . PRO   A 1 119 ? -15.63522 -28.92623 -26.95614 1.000 38.54666  ? 696  PRO   A CD   1 
ATOM   649  N N    . GLU   A 1 120 ? -18.36271 -28.78044 -29.43329 1.000 38.45059  ? 697  GLU   A N    1 
ATOM   650  C CA   . GLU   A 1 120 ? -19.63844 -28.92077 -30.12820 1.000 40.85442  ? 697  GLU   A CA   1 
ATOM   651  C C    . GLU   A 1 120 ? -20.41661 -27.60907 -30.13233 1.000 39.84321  ? 697  GLU   A C    1 
ATOM   652  O O    . GLU   A 1 120 ? -21.05867 -27.26647 -31.13187 1.000 39.19599  ? 697  GLU   A O    1 
ATOM   653  C CB   . GLU   A 1 120 ? -20.46578 -30.03365 -29.48664 1.000 39.58536  ? 697  GLU   A CB   1 
ATOM   654  C CG   . GLU   A 1 120 ? -19.88648 -31.42519 -29.66748 1.000 46.22304  ? 697  GLU   A CG   1 
ATOM   655  C CD   . GLU   A 1 120 ? -18.71245 -31.71632 -28.74191 1.000 48.20267  ? 697  GLU   A CD   1 
ATOM   656  O OE1  . GLU   A 1 120 ? -18.45039 -30.90757 -27.82004 1.000 41.95961  ? 697  GLU   A OE1  1 
ATOM   657  O OE2  . GLU   A 1 120 ? -18.05750 -32.76598 -28.93877 1.000 53.04184  ? 697  GLU   A OE2  1 
ATOM   658  N N    . PHE   A 1 121 ? -20.38282 -26.87056 -29.01540 1.000 33.81020  ? 698  PHE   A N    1 
ATOM   659  C CA   . PHE   A 1 121 ? -21.05865 -25.57741 -28.94256 1.000 36.52494  ? 698  PHE   A CA   1 
ATOM   660  C C    . PHE   A 1 121 ? -20.49799 -24.58416 -29.95593 1.000 37.13443  ? 698  PHE   A C    1 
ATOM   661  O O    . PHE   A 1 121 ? -21.26109 -23.85790 -30.60055 1.000 37.43695  ? 698  PHE   A O    1 
ATOM   662  C CB   . PHE   A 1 121 ? -20.94205 -25.01629 -27.52788 1.000 34.07766  ? 698  PHE   A CB   1 
ATOM   663  C CG   . PHE   A 1 121 ? -21.55728 -23.64549 -27.34230 1.000 29.65862  ? 698  PHE   A CG   1 
ATOM   664  C CD1  . PHE   A 1 121 ? -22.90263 -23.50696 -27.02976 1.000 34.25951  ? 698  PHE   A CD1  1 
ATOM   665  C CD2  . PHE   A 1 121 ? -20.77526 -22.50828 -27.41509 1.000 32.38635  ? 698  PHE   A CD2  1 
ATOM   666  C CE1  . PHE   A 1 121 ? -23.46610 -22.25093 -26.80731 1.000 34.23044  ? 698  PHE   A CE1  1 
ATOM   667  C CE2  . PHE   A 1 121 ? -21.33164 -21.24794 -27.21243 1.000 33.20873  ? 698  PHE   A CE2  1 
ATOM   668  C CZ   . PHE   A 1 121 ? -22.67924 -21.12363 -26.89802 1.000 33.75138  ? 698  PHE   A CZ   1 
ATOM   669  N N    . LEU   A 1 122 ? -19.16846 -24.52750 -30.10417 1.000 35.82240  ? 699  LEU   A N    1 
ATOM   670  C CA   . LEU   A 1 122 ? -18.56320 -23.62964 -31.09071 1.000 33.84868  ? 699  LEU   A CA   1 
ATOM   671  C C    . LEU   A 1 122 ? -18.95798 -24.01124 -32.51311 1.000 38.16966  ? 699  LEU   A C    1 
ATOM   672  O O    . LEU   A 1 122 ? -19.14553 -23.14030 -33.37338 1.000 34.96649  ? 699  LEU   A O    1 
ATOM   673  C CB   . LEU   A 1 122 ? -17.04213 -23.65216 -30.94608 1.000 33.12789  ? 699  LEU   A CB   1 
ATOM   674  C CG   . LEU   A 1 122 ? -16.50600 -23.30547 -29.55622 1.000 35.05220  ? 699  LEU   A CG   1 
ATOM   675  C CD1  . LEU   A 1 122 ? -14.98929 -23.38149 -29.54609 1.000 36.88204  ? 699  LEU   A CD1  1 
ATOM   676  C CD2  . LEU   A 1 122 ? -16.98511 -21.92163 -29.14201 1.000 33.31575  ? 699  LEU   A CD2  1 
ATOM   677  N N    . GLU   A 1 123 ? -19.06656 -25.30730 -32.79082 1.000 36.40439  ? 700  GLU   A N    1 
ATOM   678  C CA   . GLU   A 1 123 ? -19.46787 -25.71356 -34.13040 1.000 40.15632  ? 700  GLU   A CA   1 
ATOM   679  C C    . GLU   A 1 123 ? -20.93999 -25.40142 -34.36875 1.000 42.02128  ? 700  GLU   A C    1 
ATOM   680  O O    . GLU   A 1 123 ? -21.31038 -24.93020 -35.44822 1.000 44.53545  ? 700  GLU   A O    1 
ATOM   681  C CB   . GLU   A 1 123 ? -19.15540 -27.19337 -34.33830 1.000 45.72929  ? 700  GLU   A CB   1 
ATOM   682  C CG   . GLU   A 1 123 ? -17.65435 -27.50799 -34.18403 1.000 48.22963  ? 700  GLU   A CG   1 
ATOM   683  C CD   . GLU   A 1 123 ? -16.76597 -26.65563 -35.10711 1.000 53.78487  ? 700  GLU   A CD   1 
ATOM   684  O OE1  . GLU   A 1 123 ? -16.81374 -26.87704 -36.34656 1.000 50.14153  ? 700  GLU   A OE1  1 
ATOM   685  O OE2  . GLU   A 1 123 ? -16.02511 -25.76627 -34.59427 1.000 42.76970  ? 700  GLU   A OE2  1 
ATOM   686  N N    . LYS   A 1 124 ? -21.78533 -25.59989 -33.35607 1.000 38.18638  ? 701  LYS   A N    1 
ATOM   687  C CA   . LYS   A 1 124 ? -23.21116 -25.34296 -33.53098 1.000 42.64727  ? 701  LYS   A CA   1 
ATOM   688  C C    . LYS   A 1 124 ? -23.47939 -23.87567 -33.86138 1.000 41.14322  ? 701  LYS   A C    1 
ATOM   689  O O    . LYS   A 1 124 ? -24.27650 -23.57306 -34.75415 1.000 41.42076  ? 701  LYS   A O    1 
ATOM   690  C CB   . LYS   A 1 124 ? -23.97884 -25.76197 -32.27732 1.000 44.14811  ? 701  LYS   A CB   1 
ATOM   691  C CG   . LYS   A 1 124 ? -25.40785 -25.22024 -32.18909 1.000 46.86127  ? 701  LYS   A CG   1 
ATOM   692  C CD   . LYS   A 1 124 ? -26.09901 -25.68419 -30.91017 1.000 52.17788  ? 701  LYS   A CD   1 
ATOM   693  C CE   . LYS   A 1 124 ? -27.58075 -25.32810 -30.90001 1.000 52.72415  ? 701  LYS   A CE   1 
ATOM   694  N NZ   . LYS   A 1 124 ? -28.24795 -25.74920 -29.63329 1.000 56.81734  ? 701  LYS   A NZ   1 
ATOM   695  N N    . TYR   A 1 125 ? -22.82306 -22.95089 -33.16913 1.000 37.43682  ? 702  TYR   A N    1 
ATOM   696  C CA   . TYR   A 1 125 ? -23.02989 -21.52891 -33.41506 1.000 35.77523  ? 702  TYR   A CA   1 
ATOM   697  C C    . TYR   A 1 125 ? -21.99568 -20.92512 -34.36119 1.000 36.17409  ? 702  TYR   A C    1 
ATOM   698  O O    . TYR   A 1 125 ? -21.96855 -19.69860 -34.53995 1.000 34.81810  ? 702  TYR   A O    1 
ATOM   699  C CB   . TYR   A 1 125 ? -23.04898 -20.77844 -32.08153 1.000 35.91176  ? 702  TYR   A CB   1 
ATOM   700  C CG   . TYR   A 1 125 ? -24.27878 -21.08959 -31.27745 1.000 37.29974  ? 702  TYR   A CG   1 
ATOM   701  C CD1  . TYR   A 1 125 ? -25.47795 -20.44381 -31.53816 1.000 39.48647  ? 702  TYR   A CD1  1 
ATOM   702  C CD2  . TYR   A 1 125 ? -24.25099 -22.04312 -30.26654 1.000 38.28426  ? 702  TYR   A CD2  1 
ATOM   703  C CE1  . TYR   A 1 125 ? -26.61308 -20.72897 -30.80479 1.000 41.94725  ? 702  TYR   A CE1  1 
ATOM   704  C CE2  . TYR   A 1 125 ? -25.38295 -22.33603 -29.53080 1.000 39.19672  ? 702  TYR   A CE2  1 
ATOM   705  C CZ   . TYR   A 1 125 ? -26.55756 -21.67684 -29.80342 1.000 39.70484  ? 702  TYR   A CZ   1 
ATOM   706  O OH   . TYR   A 1 125 ? -27.67897 -21.97333 -29.07295 1.000 44.77153  ? 702  TYR   A OH   1 
ATOM   707  N N    . LYS   A 1 126 ? -21.16679 -21.75414 -34.99266 1.000 33.07040  ? 703  LYS   A N    1 
ATOM   708  C CA   . LYS   A 1 126 ? -20.18600 -21.29174 -35.97170 1.000 30.93568  ? 703  LYS   A CA   1 
ATOM   709  C C    . LYS   A 1 126 ? -19.30390 -20.18879 -35.38236 1.000 32.95055  ? 703  LYS   A C    1 
ATOM   710  O O    . LYS   A 1 126 ? -19.04518 -19.15354 -36.00341 1.000 30.42070  ? 703  LYS   A O    1 
ATOM   711  C CB   . LYS   A 1 126 ? -20.87798 -20.83386 -37.25982 1.000 35.75776  ? 703  LYS   A CB   1 
ATOM   712  N N    . ILE   A 1 127 ? -18.81603 -20.43962 -34.16725 1.000 30.74419  ? 704  ILE   A N    1 
ATOM   713  C CA   . ILE   A 1 127 ? -17.98162 -19.48789 -33.44123 1.000 30.13913  ? 704  ILE   A CA   1 
ATOM   714  C C    . ILE   A 1 127 ? -16.52570 -19.67445 -33.84913 1.000 32.08937  ? 704  ILE   A C    1 
ATOM   715  O O    . ILE   A 1 127 ? -15.99703 -20.79325 -33.80827 1.000 31.41150  ? 704  ILE   A O    1 
ATOM   716  C CB   . ILE   A 1 127 ? -18.14955 -19.66145 -31.92436 1.000 31.96320  ? 704  ILE   A CB   1 
ATOM   717  C CG1  . ILE   A 1 127 ? -19.53363 -19.16363 -31.48504 1.000 30.08093  ? 704  ILE   A CG1  1 
ATOM   718  C CG2  . ILE   A 1 127 ? -17.03316 -18.94305 -31.18889 1.000 29.32452  ? 704  ILE   A CG2  1 
ATOM   719  C CD1  . ILE   A 1 127 ? -20.00293 -19.75431 -30.17279 1.000 30.41863  ? 704  ILE   A CD1  1 
ATOM   720  N N    . ASP   A 1 128 ? -15.87472 -18.57477 -34.24099 1.000 27.48420  ? 705  ASP   A N    1 
ATOM   721  C CA   . ASP   A 1 128 ? -14.47263 -18.59735 -34.64869 1.000 31.19658  ? 705  ASP   A CA   1 
ATOM   722  C C    . ASP   A 1 128 ? -13.51039 -18.39394 -33.48333 1.000 28.82209  ? 705  ASP   A C    1 
ATOM   723  O O    . ASP   A 1 128 ? -12.45945 -19.04214 -33.42728 1.000 30.45908  ? 705  ASP   A O    1 
ATOM   724  C CB   . ASP   A 1 128 ? -14.22558 -17.52866 -35.71410 1.000 29.00895  ? 705  ASP   A CB   1 
ATOM   725  C CG   . ASP   A 1 128 ? -14.95804 -17.82912 -37.00509 1.000 32.42743  ? 705  ASP   A CG   1 
ATOM   726  O OD1  . ASP   A 1 128 ? -14.84207 -18.97398 -37.48972 1.000 34.84923  ? 705  ASP   A OD1  1 
ATOM   727  O OD2  . ASP   A 1 128 ? -15.65556 -16.93431 -37.52383 1.000 29.90988  ? 705  ASP   A OD2  1 
ATOM   728  N N    . TYR   A 1 129 ? -13.83482 -17.50182 -32.55342 1.000 26.74459  ? 706  TYR   A N    1 
ATOM   729  C CA   . TYR   A 1 129 ? -12.97135 -17.22915 -31.41655 1.000 27.28188  ? 706  TYR   A CA   1 
ATOM   730  C C    . TYR   A 1 129 ? -13.81691 -17.03635 -30.16658 1.000 29.49180  ? 706  TYR   A C    1 
ATOM   731  O O    . TYR   A 1 129 ? -14.96513 -16.59051 -30.23495 1.000 27.29917  ? 706  TYR   A O    1 
ATOM   732  C CB   . TYR   A 1 129 ? -12.12624 -15.96708 -31.62026 1.000 27.94589  ? 706  TYR   A CB   1 
ATOM   733  C CG   . TYR   A 1 129 ? -11.26252 -15.96739 -32.85061 1.000 27.82258  ? 706  TYR   A CG   1 
ATOM   734  C CD1  . TYR   A 1 129 ? -11.74386 -15.47170 -34.05245 1.000 33.31283  ? 706  TYR   A CD1  1 
ATOM   735  C CD2  . TYR   A 1 129 ? -9.95784  -16.42773 -32.80595 1.000 30.86343  ? 706  TYR   A CD2  1 
ATOM   736  C CE1  . TYR   A 1 129 ? -10.95671 -15.44955 -35.18636 1.000 31.71245  ? 706  TYR   A CE1  1 
ATOM   737  C CE2  . TYR   A 1 129 ? -9.15926  -16.40884 -33.93667 1.000 32.88668  ? 706  TYR   A CE2  1 
ATOM   738  C CZ   . TYR   A 1 129 ? -9.67146  -15.92545 -35.12430 1.000 32.29592  ? 706  TYR   A CZ   1 
ATOM   739  O OH   . TYR   A 1 129 ? -8.89035  -15.90342 -36.25725 1.000 31.50316  ? 706  TYR   A OH   1 
ATOM   740  N N    . VAL   A 1 130 ? -13.22411 -17.36615 -29.02587 1.000 27.14898  ? 707  VAL   A N    1 
ATOM   741  C CA   . VAL   A 1 130 ? -13.80064 -17.10999 -27.70929 1.000 27.58737  ? 707  VAL   A CA   1 
ATOM   742  C C    . VAL   A 1 130 ? -12.95290 -16.03286 -27.05640 1.000 31.04719  ? 707  VAL   A C    1 
ATOM   743  O O    . VAL   A 1 130 ? -11.73896 -16.20952 -26.88687 1.000 31.41605  ? 707  VAL   A O    1 
ATOM   744  C CB   . VAL   A 1 130 ? -13.83728 -18.38033 -26.84071 1.000 28.23797  ? 707  VAL   A CB   1 
ATOM   745  C CG1  . VAL   A 1 130 ? -14.31393 -18.04177 -25.41476 1.000 31.06685  ? 707  VAL   A CG1  1 
ATOM   746  C CG2  . VAL   A 1 130 ? -14.74270 -19.42423 -27.46187 1.000 28.80779  ? 707  VAL   A CG2  1 
ATOM   747  N N    . ALA   A 1 131 ? -13.58432 -14.92359 -26.67631 1.000 29.75399  ? 708  ALA   A N    1 
ATOM   748  C CA   . ALA   A 1 131 ? -12.91494 -13.86351 -25.92820 1.000 33.85085  ? 708  ALA   A CA   1 
ATOM   749  C C    . ALA   A 1 131 ? -13.16101 -14.06774 -24.43657 1.000 36.55819  ? 708  ALA   A C    1 
ATOM   750  O O    . ALA   A 1 131 ? -14.31026 -14.22644 -24.01543 1.000 37.15873  ? 708  ALA   A O    1 
ATOM   751  C CB   . ALA   A 1 131 ? -13.42174 -12.48189 -26.35971 1.000 36.57941  ? 708  ALA   A CB   1 
ATOM   752  N N    . HIS   A 1 132 ? -12.08982 -14.06673 -23.64303 1.000 39.05103  ? 709  HIS   A N    1 
ATOM   753  C CA   . HIS   A 1 132 ? -12.21092 -14.33907 -22.21201 1.000 48.30162  ? 709  HIS   A CA   1 
ATOM   754  C C    . HIS   A 1 132 ? -11.09180 -13.64090 -21.45212 1.000 53.22076  ? 709  HIS   A C    1 
ATOM   755  O O    . HIS   A 1 132 ? -10.11724 -13.16541 -22.03892 1.000 50.71011  ? 709  HIS   A O    1 
ATOM   756  C CB   . HIS   A 1 132 ? -12.18863 -15.84730 -21.93097 1.000 52.51902  ? 709  HIS   A CB   1 
ATOM   757  N N    . ASP   A 1 133 ? -11.24935 -13.57773 -20.12704 1.000 60.91591  ? 710  ASP   A N    1 
ATOM   758  C CA   . ASP   A 1 133 ? -10.18358 -13.10810 -19.24732 1.000 65.24578  ? 710  ASP   A CA   1 
ATOM   759  C C    . ASP   A 1 133 ? -9.05177  -14.13125 -19.17256 1.000 72.94793  ? 710  ASP   A C    1 
ATOM   760  O O    . ASP   A 1 133 ? -9.23318  -15.31957 -19.45738 1.000 75.00377  ? 710  ASP   A O    1 
ATOM   761  C CB   . ASP   A 1 133 ? -10.70283 -12.86304 -17.82831 1.000 69.53661  ? 710  ASP   A CB   1 
ATOM   762  C CG   . ASP   A 1 133 ? -11.93327 -11.98999 -17.79011 1.000 65.32475  ? 710  ASP   A CG   1 
ATOM   763  O OD1  . ASP   A 1 133 ? -12.95671 -12.36915 -18.39228 1.000 68.59514  ? 710  ASP   A OD1  1 
ATOM   764  O OD2  . ASP   A 1 133 ? -11.89043 -10.93645 -17.12619 1.000 70.29176  ? 710  ASP   A OD2  1 
ATOM   765  N N    . ASP   A 1 134 ? -7.87737  -13.65456 -18.75659 1.000 84.13038  ? 711  ASP   A N    1 
ATOM   766  C CA   . ASP   A 1 134 ? -6.71410  -14.51078 -18.48207 1.000 91.32551  ? 711  ASP   A CA   1 
ATOM   767  C C    . ASP   A 1 134 ? -6.49736  -15.56790 -19.56925 1.000 82.31395  ? 711  ASP   A C    1 
ATOM   768  O O    . ASP   A 1 134 ? -5.49012  -16.27893 -19.57675 1.000 76.58524  ? 711  ASP   A O    1 
ATOM   769  C CB   . ASP   A 1 134 ? -6.85862  -15.19355 -17.11168 1.000 85.41260  ? 711  ASP   A CB   1 
ATOM   770  C CG   . ASP   A 1 134 ? -6.75151  -14.21812 -15.95020 1.000 95.93268  ? 711  ASP   A CG   1 
ATOM   771  O OD1  . ASP   A 1 134 ? -7.68630  -13.41246 -15.76203 1.000 98.26173  ? 711  ASP   A OD1  1 
ATOM   772  O OD2  . ASP   A 1 134 ? -5.73888  -14.26365 -15.21373 1.000 96.48960  ? 711  ASP   A OD2  1 
ATOM   773  N N    . GLU   A 1 143 ? -5.83674  -26.62409 -13.95180 1.000 100.59853 ? 738  GLU   A N    1 
ATOM   774  C CA   . GLU   A 1 143 ? -5.02883  -27.13970 -15.05059 1.000 95.62909  ? 738  GLU   A CA   1 
ATOM   775  C C    . GLU   A 1 143 ? -5.36950  -26.41873 -16.34956 1.000 91.43283  ? 738  GLU   A C    1 
ATOM   776  O O    . GLU   A 1 143 ? -5.22532  -26.97560 -17.43905 1.000 93.59983  ? 738  GLU   A O    1 
ATOM   777  C CB   . GLU   A 1 143 ? -5.23683  -28.64669 -15.20963 1.000 99.24412  ? 738  GLU   A CB   1 
ATOM   778  N N    . ASP   A 1 144 ? -5.81653  -25.16822 -16.22523 1.000 89.13120  ? 739  ASP   A N    1 
ATOM   779  C CA   . ASP   A 1 144 ? -6.25266  -24.37238 -17.36770 1.000 72.36538  ? 739  ASP   A CA   1 
ATOM   780  C C    . ASP   A 1 144 ? -7.42188  -25.04842 -18.07415 1.000 66.31152  ? 739  ASP   A C    1 
ATOM   781  O O    . ASP   A 1 144 ? -7.22788  -25.84104 -19.00401 1.000 65.42741  ? 739  ASP   A O    1 
ATOM   782  C CB   . ASP   A 1 144 ? -5.09657  -24.13306 -18.34424 1.000 67.62641  ? 739  ASP   A CB   1 
ATOM   783  C CG   . ASP   A 1 144 ? -5.35792  -22.96137 -19.28073 1.000 64.26138  ? 739  ASP   A CG   1 
ATOM   784  O OD1  . ASP   A 1 144 ? -6.39111  -22.28373 -19.08840 1.000 64.16600  ? 739  ASP   A OD1  1 
ATOM   785  O OD2  . ASP   A 1 144 ? -4.53611  -22.71436 -20.19727 1.000 54.53142  ? 739  ASP   A OD2  1 
ATOM   786  N N    . ILE   A 1 145 ? -8.64300  -24.73485 -17.63605 1.000 61.89202  ? 740  ILE   A N    1 
ATOM   787  C CA   . ILE   A 1 145 ? -9.84363  -25.27053 -18.25685 1.000 62.11945  ? 740  ILE   A CA   1 
ATOM   788  C C    . ILE   A 1 145 ? -9.96381  -24.88281 -19.72212 1.000 55.64192  ? 740  ILE   A C    1 
ATOM   789  O O    . ILE   A 1 145 ? -10.78301 -25.46068 -20.43953 1.000 56.11790  ? 740  ILE   A O    1 
ATOM   790  C CB   . ILE   A 1 145 ? -11.09750 -24.80595 -17.48343 1.000 62.31922  ? 740  ILE   A CB   1 
ATOM   791  N N    . TYR   A 1 146 ? -9.16986  -23.91438 -20.18330 1.000 53.92039  ? 741  TYR   A N    1 
ATOM   792  C CA   . TYR   A 1 146 ? -9.24802  -23.40001 -21.54634 1.000 49.77711  ? 741  TYR   A CA   1 
ATOM   793  C C    . TYR   A 1 146 ? -8.01609  -23.75293 -22.36804 1.000 44.68396  ? 741  TYR   A C    1 
ATOM   794  O O    . TYR   A 1 146 ? -7.78707  -23.15567 -23.42756 1.000 40.05350  ? 741  TYR   A O    1 
ATOM   795  C CB   . TYR   A 1 146 ? -9.45629  -21.88572 -21.52445 1.000 53.17316  ? 741  TYR   A CB   1 
ATOM   796  C CG   . TYR   A 1 146 ? -10.29882 -21.45983 -20.35321 1.000 60.52587  ? 741  TYR   A CG   1 
ATOM   797  C CD1  . TYR   A 1 146 ? -11.68241 -21.60430 -20.37957 1.000 62.74039  ? 741  TYR   A CD1  1 
ATOM   798  C CD2  . TYR   A 1 146 ? -9.71175  -20.95921 -19.20004 1.000 60.35394  ? 741  TYR   A CD2  1 
ATOM   799  C CE1  . TYR   A 1 146 ? -12.46138 -21.23672 -19.29520 1.000 61.75181  ? 741  TYR   A CE1  1 
ATOM   800  C CE2  . TYR   A 1 146 ? -10.48050 -20.58905 -18.11259 1.000 64.55658  ? 741  TYR   A CE2  1 
ATOM   801  C CZ   . TYR   A 1 146 ? -11.85412 -20.72872 -18.16453 1.000 66.14015  ? 741  TYR   A CZ   1 
ATOM   802  O OH   . TYR   A 1 146 ? -12.61915 -20.35859 -17.07747 1.000 74.11049  ? 741  TYR   A OH   1 
ATOM   803  N N    . ALA   A 1 147 ? -7.21633  -24.71531 -21.90409 1.000 44.56792  ? 742  ALA   A N    1 
ATOM   804  C CA   . ALA   A 1 147 ? -6.08923  -25.16684 -22.70692 1.000 43.03965  ? 742  ALA   A CA   1 
ATOM   805  C C    . ALA   A 1 147 ? -6.55060  -25.57880 -24.09900 1.000 36.17919  ? 742  ALA   A C    1 
ATOM   806  O O    . ALA   A 1 147 ? -5.87642  -25.30723 -25.09770 1.000 32.85799  ? 742  ALA   A O    1 
ATOM   807  C CB   . ALA   A 1 147 ? -5.37608  -26.32473 -22.00691 1.000 44.73011  ? 742  ALA   A CB   1 
ATOM   808  N N    . TRP   A 1 148 ? -7.71483  -26.21856 -24.18960 1.000 36.40408  ? 743  TRP   A N    1 
ATOM   809  C CA   . TRP   A 1 148 ? -8.16454  -26.70678 -25.48719 1.000 33.84195  ? 743  TRP   A CA   1 
ATOM   810  C C    . TRP   A 1 148 ? -8.53347  -25.56577 -26.42779 1.000 32.68279  ? 743  TRP   A C    1 
ATOM   811  O O    . TRP   A 1 148 ? -8.31393  -25.67718 -27.64004 1.000 30.26605  ? 743  TRP   A O    1 
ATOM   812  C CB   . TRP   A 1 148 ? -9.33908  -27.66493 -25.31179 1.000 37.24195  ? 743  TRP   A CB   1 
ATOM   813  C CG   . TRP   A 1 148 ? -10.61893 -27.00739 -24.88260 1.000 35.94583  ? 743  TRP   A CG   1 
ATOM   814  C CD1  . TRP   A 1 148 ? -11.04351 -26.77469 -23.60567 1.000 40.06722  ? 743  TRP   A CD1  1 
ATOM   815  C CD2  . TRP   A 1 148 ? -11.64620 -26.51394 -25.74493 1.000 33.98585  ? 743  TRP   A CD2  1 
ATOM   816  N NE1  . TRP   A 1 148 ? -12.27429 -26.15819 -23.62221 1.000 40.37274  ? 743  TRP   A NE1  1 
ATOM   817  C CE2  . TRP   A 1 148 ? -12.66481 -25.99168 -24.92811 1.000 36.56798  ? 743  TRP   A CE2  1 
ATOM   818  C CE3  . TRP   A 1 148 ? -11.80121 -26.46153 -27.13766 1.000 35.95681  ? 743  TRP   A CE3  1 
ATOM   819  C CZ2  . TRP   A 1 148 ? -13.82832 -25.41494 -25.45777 1.000 37.24055  ? 743  TRP   A CZ2  1 
ATOM   820  C CZ3  . TRP   A 1 148 ? -12.95621 -25.88765 -27.66362 1.000 35.31518  ? 743  TRP   A CZ3  1 
ATOM   821  C CH2  . TRP   A 1 148 ? -13.95591 -25.37915 -26.82484 1.000 37.14326  ? 743  TRP   A CH2  1 
ATOM   822  N N    . LEU   A 1 149 ? -9.08311  -24.46598 -25.90016 1.000 31.94485  ? 744  LEU   A N    1 
ATOM   823  C CA   . LEU   A 1 149 ? -9.33555  -23.29888 -26.73999 1.000 30.81675  ? 744  LEU   A CA   1 
ATOM   824  C C    . LEU   A 1 149 ? -8.03450  -22.69902 -27.25113 1.000 31.41141  ? 744  LEU   A C    1 
ATOM   825  O O    . LEU   A 1 149 ? -7.95219  -22.28877 -28.41117 1.000 30.52553  ? 744  LEU   A O    1 
ATOM   826  C CB   . LEU   A 1 149 ? -10.13594 -22.24989 -25.97027 1.000 32.86476  ? 744  LEU   A CB   1 
ATOM   827  C CG   . LEU   A 1 149 ? -11.61135 -22.54366 -25.69596 1.000 36.21893  ? 744  LEU   A CG   1 
ATOM   828  C CD1  . LEU   A 1 149 ? -12.16209 -21.60523 -24.63214 1.000 40.04182  ? 744  LEU   A CD1  1 
ATOM   829  C CD2  . LEU   A 1 149 ? -12.41326 -22.42895 -26.98173 1.000 37.51582  ? 744  LEU   A CD2  1 
ATOM   830  N N    . LYS   A 1 150 ? -7.00785  -22.62926 -26.40367 1.000 28.76911  ? 745  LYS   A N    1 
ATOM   831  C CA   . LYS   A 1 150 ? -5.73029  -22.08469 -26.85116 1.000 27.30861  ? 745  LYS   A CA   1 
ATOM   832  C C    . LYS   A 1 150 ? -5.09282  -22.98935 -27.90139 1.000 32.11905  ? 745  LYS   A C    1 
ATOM   833  O O    . LYS   A 1 150 ? -4.62381  -22.51340 -28.94487 1.000 29.10844  ? 745  LYS   A O    1 
ATOM   834  C CB   . LYS   A 1 150 ? -4.80474  -21.89027 -25.64854 1.000 29.53898  ? 745  LYS   A CB   1 
ATOM   835  C CG   . LYS   A 1 150 ? -5.35214  -20.88387 -24.64207 1.000 32.66445  ? 745  LYS   A CG   1 
ATOM   836  C CD   . LYS   A 1 150 ? -4.47069  -20.75719 -23.39416 1.000 39.84384  ? 745  LYS   A CD   1 
ATOM   837  C CE   . LYS   A 1 150 ? -5.10445  -19.83885 -22.34290 1.000 44.49270  ? 745  LYS   A CE   1 
ATOM   838  N NZ   . LYS   A 1 150 ? -4.33744  -19.89821 -21.09205 1.000 45.75545  ? 745  LYS   A NZ   1 
ATOM   839  N N    . ARG   A 1 151 ? -5.08302  -24.30499 -27.64816 1.000 28.53999  ? 746  ARG   A N    1 
ATOM   840  C CA   . ARG   A 1 151 ? -4.55738  -25.25074 -28.63222 1.000 28.18536  ? 746  ARG   A CA   1 
ATOM   841  C C    . ARG   A 1 151 ? -5.26620  -25.13726 -29.97288 1.000 31.04914  ? 746  ARG   A C    1 
ATOM   842  O O    . ARG   A 1 151 ? -4.68793  -25.48142 -31.00972 1.000 29.57929  ? 746  ARG   A O    1 
ATOM   843  C CB   . ARG   A 1 151 ? -4.69912  -26.68620 -28.13769 1.000 30.79717  ? 746  ARG   A CB   1 
ATOM   844  C CG   . ARG   A 1 151 ? -3.99698  -26.99763 -26.85411 1.000 32.83871  ? 746  ARG   A CG   1 
ATOM   845  C CD   . ARG   A 1 151 ? -4.24632  -28.45821 -26.48448 1.000 32.13103  ? 746  ARG   A CD   1 
ATOM   846  N NE   . ARG   A 1 151 ? -3.52718  -28.85613 -25.28602 1.000 42.18686  ? 746  ARG   A NE   1 
ATOM   847  C CZ   . ARG   A 1 151 ? -4.11251  -29.24489 -24.15976 1.000 44.16551  ? 746  ARG   A CZ   1 
ATOM   848  N NH1  . ARG   A 1 151 ? -5.43269  -29.30761 -24.05262 1.000 44.61824  ? 746  ARG   A NH1  1 
ATOM   849  N NH2  . ARG   A 1 151 ? -3.35615  -29.57116 -23.11722 1.000 48.01805  ? 746  ARG   A NH2  1 
ATOM   850  N N    . ALA   A 1 152 ? -6.52439  -24.71641 -29.97530 1.000 34.03129  ? 747  ALA   A N    1 
ATOM   851  C CA   . ALA   A 1 152 ? -7.29458  -24.62270 -31.20614 1.000 32.57703  ? 747  ALA   A CA   1 
ATOM   852  C C    . ALA   A 1 152 ? -7.14128  -23.27394 -31.90298 1.000 29.59263  ? 747  ALA   A C    1 
ATOM   853  O O    . ALA   A 1 152 ? -7.69888  -23.08444 -32.99144 1.000 28.85548  ? 747  ALA   A O    1 
ATOM   854  C CB   . ALA   A 1 152 ? -8.77439  -24.89492 -30.91872 1.000 34.11969  ? 747  ALA   A CB   1 
ATOM   855  N N    . GLY   A 1 153 ? -6.39938  -22.33535 -31.31079 1.000 28.63947  ? 748  GLY   A N    1 
ATOM   856  C CA   . GLY   A 1 153 ? -6.28709  -21.01333 -31.90376 1.000 26.69559  ? 748  GLY   A CA   1 
ATOM   857  C C    . GLY   A 1 153 ? -7.49835  -20.14577 -31.68230 1.000 30.57819  ? 748  GLY   A C    1 
ATOM   858  O O    . GLY   A 1 153 ? -7.64328  -19.10957 -32.34344 1.000 28.17112  ? 748  GLY   A O    1 
ATOM   859  N N    . LYS   A 1 154 ? -8.37711  -20.52657 -30.75804 1.000 27.86541  ? 749  LYS   A N    1 
ATOM   860  C CA   . LYS   A 1 154 ? -9.64246  -19.83196 -30.59485 1.000 29.43229  ? 749  LYS   A CA   1 
ATOM   861  C C    . LYS   A 1 154 ? -9.70660  -18.98921 -29.32335 1.000 31.31991  ? 749  LYS   A C    1 
ATOM   862  O O    . LYS   A 1 154 ? -10.75644 -18.40055 -29.05358 1.000 35.19035  ? 749  LYS   A O    1 
ATOM   863  C CB   . LYS   A 1 154 ? -10.79995 -20.84098 -30.62590 1.000 28.18557  ? 749  LYS   A CB   1 
ATOM   864  C CG   . LYS   A 1 154 ? -10.90129 -21.60781 -31.95977 1.000 29.07194  ? 749  LYS   A CG   1 
ATOM   865  C CD   . LYS   A 1 154 ? -12.27471 -22.23432 -32.15837 1.000 31.49342  ? 749  LYS   A CD   1 
ATOM   866  C CE   . LYS   A 1 154 ? -12.42207 -22.84545 -33.54033 1.000 35.12677  ? 749  LYS   A CE   1 
ATOM   867  N NZ   . LYS   A 1 154 ? -12.29072 -21.79431 -34.60060 1.000 32.76245  ? 749  LYS   A NZ   1 
ATOM   868  N N    . PHE   A 1 155 ? -8.61796  -18.90312 -28.54967 1.000 29.53640  ? 750  PHE   A N    1 
ATOM   869  C CA   . PHE   A 1 155 ? -8.58595  -18.12872 -27.30474 1.000 30.23002  ? 750  PHE   A CA   1 
ATOM   870  C C    . PHE   A 1 155 ? -8.09649  -16.70865 -27.58646 1.000 34.80473  ? 750  PHE   A C    1 
ATOM   871  O O    . PHE   A 1 155 ? -6.98601  -16.52444 -28.09495 1.000 36.17936  ? 750  PHE   A O    1 
ATOM   872  C CB   . PHE   A 1 155 ? -7.66870  -18.80143 -26.28809 1.000 32.86588  ? 750  PHE   A CB   1 
ATOM   873  C CG   . PHE   A 1 155 ? -7.73605  -18.19531 -24.91582 1.000 36.44211  ? 750  PHE   A CG   1 
ATOM   874  C CD1  . PHE   A 1 155 ? -6.99847  -17.06403 -24.60501 1.000 38.84415  ? 750  PHE   A CD1  1 
ATOM   875  C CD2  . PHE   A 1 155 ? -8.53075  -18.76455 -23.93031 1.000 42.71854  ? 750  PHE   A CD2  1 
ATOM   876  C CE1  . PHE   A 1 155 ? -7.06263  -16.50304 -23.33014 1.000 40.98547  ? 750  PHE   A CE1  1 
ATOM   877  C CE2  . PHE   A 1 155 ? -8.59432  -18.20636 -22.65208 1.000 48.03572  ? 750  PHE   A CE2  1 
ATOM   878  C CZ   . PHE   A 1 155 ? -7.85913  -17.07985 -22.36029 1.000 49.92522  ? 750  PHE   A CZ   1 
ATOM   879  N N    . LYS   A 1 156 ? -8.90376  -15.70684 -27.23199 1.000 31.28641  ? 751  LYS   A N    1 
ATOM   880  C CA   . LYS   A 1 156 ? -8.52918  -14.30394 -27.40295 1.000 30.65973  ? 751  LYS   A CA   1 
ATOM   881  C C    . LYS   A 1 156 ? -8.72393  -13.61007 -26.06597 1.000 36.47445  ? 751  LYS   A C    1 
ATOM   882  O O    . LYS   A 1 156 ? -9.84937  -13.52940 -25.56651 1.000 37.97177  ? 751  LYS   A O    1 
ATOM   883  C CB   . LYS   A 1 156 ? -9.35735  -13.61026 -28.49110 1.000 33.03733  ? 751  LYS   A CB   1 
ATOM   884  C CG   . LYS   A 1 156 ? -9.17345  -14.19199 -29.88267 1.000 31.90193  ? 751  LYS   A CG   1 
ATOM   885  C CD   . LYS   A 1 156 ? -7.74599  -14.02984 -30.37982 1.000 35.47997  ? 751  LYS   A CD   1 
ATOM   886  C CE   . LYS   A 1 156 ? -7.55093  -12.70244 -31.07374 1.000 38.38429  ? 751  LYS   A CE   1 
ATOM   887  N NZ   . LYS   A 1 156 ? -6.15489  -12.55021 -31.56171 1.000 42.68312  ? 751  LYS   A NZ   1 
ATOM   888  N N    . ALA   A 1 157 ? -7.63711  -13.12010 -25.48950 1.000 32.31263  ? 752  ALA   A N    1 
ATOM   889  C CA   . ALA   A 1 157 ? -7.70050  -12.52152 -24.16574 1.000 39.13952  ? 752  ALA   A CA   1 
ATOM   890  C C    . ALA   A 1 157 ? -8.29717  -11.12174 -24.23139 1.000 40.22485  ? 752  ALA   A C    1 
ATOM   891  O O    . ALA   A 1 157 ? -8.01023  -10.35336 -25.15118 1.000 40.30674  ? 752  ALA   A O    1 
ATOM   892  C CB   . ALA   A 1 157 ? -6.30627  -12.46808 -23.54745 1.000 39.50356  ? 752  ALA   A CB   1 
ATOM   893  N N    . THR   A 1 158 ? -9.13925  -10.80488 -23.24699 1.000 43.71804  ? 753  THR   A N    1 
ATOM   894  C CA   . THR   A 1 158 ? -9.63157  -9.45407  -23.00148 1.000 43.07168  ? 753  THR   A CA   1 
ATOM   895  C C    . THR   A 1 158 ? -9.35174  -9.09189  -21.54713 1.000 45.00171  ? 753  THR   A C    1 
ATOM   896  O O    . THR   A 1 158 ? -9.22381  -9.96716  -20.68806 1.000 49.06144  ? 753  THR   A O    1 
ATOM   897  C CB   . THR   A 1 158 ? -11.13291 -9.33442  -23.28552 1.000 40.58019  ? 753  THR   A CB   1 
ATOM   898  O OG1  . THR   A 1 158 ? -11.85231 -10.23196 -22.42054 1.000 45.87055  ? 753  THR   A OG1  1 
ATOM   899  C CG2  . THR   A 1 158 ? -11.42320 -9.67545  -24.74636 1.000 40.25905  ? 753  THR   A CG2  1 
ATOM   900  N N    . GLN   A 1 159 ? -9.28034  -7.78975  -21.27221 1.000 42.62062  ? 754  GLN   A N    1 
ATOM   901  C CA   . GLN   A 1 159 ? -8.86469  -7.27986  -19.97009 1.000 47.21186  ? 754  GLN   A CA   1 
ATOM   902  C C    . GLN   A 1 159 ? -10.05026 -6.73580  -19.18674 1.000 48.70748  ? 754  GLN   A C    1 
ATOM   903  O O    . GLN   A 1 159 ? -10.97910 -6.15041  -19.75572 1.000 46.01977  ? 754  GLN   A O    1 
ATOM   904  C CB   . GLN   A 1 159 ? -7.82076  -6.16382  -20.10525 1.000 46.46150  ? 754  GLN   A CB   1 
ATOM   905  C CG   . GLN   A 1 159 ? -6.45262  -6.63886  -20.53375 1.000 49.61101  ? 754  GLN   A CG   1 
ATOM   906  C CD   . GLN   A 1 159 ? -6.43401  -7.09978  -21.96938 1.000 50.21277  ? 754  GLN   A CD   1 
ATOM   907  O OE1  . GLN   A 1 159 ? -6.54692  -6.29045  -22.88881 1.000 53.30572  ? 754  GLN   A OE1  1 
ATOM   908  N NE2  . GLN   A 1 159 ? -6.30373  -8.40978  -22.17494 1.000 47.85960  ? 754  GLN   A NE2  1 
ATOM   909  N N    . ARG   A 1 160 ? -9.99042  -6.91399  -17.86726 1.000 47.02112  ? 755  ARG   A N    1 
ATOM   910  C CA   . ARG   A 1 160 ? -10.93446 -6.29061  -16.95569 1.000 48.55131  ? 755  ARG   A CA   1 
ATOM   911  C C    . ARG   A 1 160 ? -10.43637 -4.90278  -16.58054 1.000 48.26123  ? 755  ARG   A C    1 
ATOM   912  O O    . ARG   A 1 160 ? -9.23114  -4.63826  -16.54939 1.000 51.35026  ? 755  ARG   A O    1 
ATOM   913  C CB   . ARG   A 1 160 ? -11.12599 -7.12586  -15.68368 1.000 52.62138  ? 755  ARG   A CB   1 
ATOM   914  C CG   . ARG   A 1 160 ? -11.81471 -8.46523  -15.90602 1.000 55.97840  ? 755  ARG   A CG   1 
ATOM   915  C CD   . ARG   A 1 160 ? -11.98633 -9.22846  -14.58822 1.000 60.54385  ? 755  ARG   A CD   1 
ATOM   916  N NE   . ARG   A 1 160 ? -12.44252 -10.60020 -14.79620 1.000 61.10192  ? 755  ARG   A NE   1 
ATOM   917  C CZ   . ARG   A 1 160 ? -12.73678 -11.44793 -13.81810 1.000 64.60358  ? 755  ARG   A CZ   1 
ATOM   918  N NH1  . ARG   A 1 160 ? -12.65527 -11.09105 -12.54607 1.000 59.99805  ? 755  ARG   A NH1  1 
ATOM   919  N NH2  . ARG   A 1 160 ? -13.12435 -12.68431 -14.12376 1.000 65.90569  ? 755  ARG   A NH2  1 
ATOM   920  N N    . THR   A 1 161 ? -11.37622 -4.01881  -16.28170 1.000 46.95102  ? 756  THR   A N    1 
ATOM   921  C CA   . THR   A 1 161 ? -11.06501 -2.68997  -15.77808 1.000 50.33128  ? 756  THR   A CA   1 
ATOM   922  C C    . THR   A 1 161 ? -11.39858 -2.64200  -14.29312 1.000 50.75510  ? 756  THR   A C    1 
ATOM   923  O O    . THR   A 1 161 ? -12.47394 -3.09113  -13.88407 1.000 50.67051  ? 756  THR   A O    1 
ATOM   924  C CB   . THR   A 1 161 ? -11.84727 -1.62629  -16.55084 1.000 47.31172  ? 756  THR   A CB   1 
ATOM   925  O OG1  . THR   A 1 161 ? -11.54776 -1.75299  -17.95012 1.000 45.09622  ? 756  THR   A OG1  1 
ATOM   926  C CG2  . THR   A 1 161 ? -11.48199 -0.22887  -16.06251 1.000 43.03113  ? 756  THR   A CG2  1 
ATOM   927  N N    . GLU   A 1 162 ? -10.47235 -2.12181  -13.49229 1.000 46.51295  ? 757  GLU   A N    1 
ATOM   928  C CA   . GLU   A 1 162 ? -10.67881 -1.99214  -12.05727 1.000 50.92493  ? 757  GLU   A CA   1 
ATOM   929  C C    . GLU   A 1 162 ? -11.29461 -0.63948  -11.72620 1.000 47.65882  ? 757  GLU   A C    1 
ATOM   930  O O    . GLU   A 1 162 ? -11.07411 0.35168   -12.42891 1.000 48.83398  ? 757  GLU   A O    1 
ATOM   931  C CB   . GLU   A 1 162 ? -9.35674  -2.14492  -11.29649 1.000 54.56228  ? 757  GLU   A CB   1 
ATOM   932  C CG   . GLU   A 1 162 ? -8.63361  -3.45225  -11.57561 1.000 65.33059  ? 757  GLU   A CG   1 
ATOM   933  C CD   . GLU   A 1 162 ? -9.43245  -4.66070  -11.13343 1.000 66.33182  ? 757  GLU   A CD   1 
ATOM   934  O OE1  . GLU   A 1 162 ? -9.68229  -4.78542  -9.91327  1.000 71.36981  ? 757  GLU   A OE1  1 
ATOM   935  O OE2  . GLU   A 1 162 ? -9.81646  -5.47365  -12.00639 1.000 68.49726  ? 757  GLU   A OE2  1 
ATOM   936  N N    . GLY   A 1 163 ? -12.05963 -0.60587  -10.63141 1.000 46.84150  ? 758  GLY   A N    1 
ATOM   937  C CA   . GLY   A 1 163 ? -12.52674 0.63459   -10.04109 1.000 44.56368  ? 758  GLY   A CA   1 
ATOM   938  C C    . GLY   A 1 163 ? -13.83997 1.18121   -10.56358 1.000 40.64910  ? 758  GLY   A C    1 
ATOM   939  O O    . GLY   A 1 163 ? -14.29538 2.21828   -10.06415 1.000 40.47289  ? 758  GLY   A O    1 
ATOM   940  N N    . VAL   A 1 164 ? -14.47759 0.50984   -11.52491 1.000 38.03950  ? 759  VAL   A N    1 
ATOM   941  C CA   . VAL   A 1 164 ? -15.62917 1.03962   -12.24171 1.000 37.25804  ? 759  VAL   A CA   1 
ATOM   942  C C    . VAL   A 1 164 ? -16.87388 0.18269   -12.05964 1.000 34.80411  ? 759  VAL   A C    1 
ATOM   943  O O    . VAL   A 1 164 ? -17.86365 0.38285   -12.76877 1.000 33.23403  ? 759  VAL   A O    1 
ATOM   944  C CB   . VAL   A 1 164 ? -15.32046 1.20353   -13.74376 1.000 34.41642  ? 759  VAL   A CB   1 
ATOM   945  C CG1  . VAL   A 1 164 ? -14.23063 2.23606   -13.95923 1.000 39.19228  ? 759  VAL   A CG1  1 
ATOM   946  C CG2  . VAL   A 1 164 ? -14.94827 -0.14807  -14.34696 1.000 37.33656  ? 759  VAL   A CG2  1 
ATOM   947  N N    . SER   A 1 165 ? -16.85168 -0.77144  -11.12946 1.000 31.43348  ? 760  SER   A N    1 
ATOM   948  C CA   . SER   A 1 165 ? -17.98199 -1.67570  -11.00538 1.000 32.35948  ? 760  SER   A CA   1 
ATOM   949  C C    . SER   A 1 165 ? -19.16066 -0.96401  -10.35047 1.000 30.28553  ? 760  SER   A C    1 
ATOM   950  O O    . SER   A 1 165 ? -19.03547 0.12152   -9.77213  1.000 32.47293  ? 760  SER   A O    1 
ATOM   951  C CB   . SER   A 1 165 ? -17.60899 -2.92709  -10.19453 1.000 32.61677  ? 760  SER   A CB   1 
ATOM   952  O OG   . SER   A 1 165 ? -17.48769 -2.61997  -8.81316  1.000 34.98544  ? 760  SER   A OG   1 
ATOM   953  N N    . THR   A 1 166 ? -20.32126 -1.60859  -10.42931 1.000 25.64663  ? 761  THR   A N    1 
ATOM   954  C CA   . THR   A 1 166 ? -21.49610 -1.07696  -9.76192  1.000 27.47865  ? 761  THR   A CA   1 
ATOM   955  C C    . THR   A 1 166 ? -21.27606 -0.99043  -8.25052  1.000 30.58722  ? 761  THR   A C    1 
ATOM   956  O O    . THR   A 1 166 ? -21.60189 0.03020   -7.63691  1.000 31.13482  ? 761  THR   A O    1 
ATOM   957  C CB   . THR   A 1 166 ? -22.71901 -1.92411  -10.10993 1.000 27.96463  ? 761  THR   A CB   1 
ATOM   958  O OG1  . THR   A 1 166 ? -22.99813 -1.79471  -11.51969 1.000 28.03090  ? 761  THR   A OG1  1 
ATOM   959  C CG2  . THR   A 1 166 ? -23.93302 -1.46161  -9.30820  1.000 28.94781  ? 761  THR   A CG2  1 
ATOM   960  N N    . THR   A 1 167 ? -20.68989 -2.02640  -7.63667  1.000 29.35538  ? 762  THR   A N    1 
ATOM   961  C CA   . THR   A 1 167 ? -20.42863 -1.95403  -6.19456  1.000 29.87096  ? 762  THR   A CA   1 
ATOM   962  C C    . THR   A 1 167 ? -19.40980 -0.86571  -5.88222  1.000 31.31716  ? 762  THR   A C    1 
ATOM   963  O O    . THR   A 1 167 ? -19.48662 -0.21295  -4.83209  1.000 34.00194  ? 762  THR   A O    1 
ATOM   964  C CB   . THR   A 1 167 ? -19.92679 -3.30039  -5.64731  1.000 31.18661  ? 762  THR   A CB   1 
ATOM   965  O OG1  . THR   A 1 167 ? -18.68780 -3.65801  -6.27391  1.000 36.11710  ? 762  THR   A OG1  1 
ATOM   966  C CG2  . THR   A 1 167 ? -20.95335 -4.40420  -5.84629  1.000 33.33765  ? 762  THR   A CG2  1 
ATOM   967  N N    . ASP   A 1 168 ? -18.41157 -0.69420  -6.75272  1.000 30.26116  ? 763  ASP   A N    1 
ATOM   968  C CA   . ASP   A 1 168 ? -17.45893 0.39604   -6.55688  1.000 34.55233  ? 763  ASP   A CA   1 
ATOM   969  C C    . ASP   A 1 168 ? -18.18192 1.73289   -6.43026  1.000 35.51369  ? 763  ASP   A C    1 
ATOM   970  O O    . ASP   A 1 168 ? -17.84616 2.55164   -5.56456  1.000 34.41401  ? 763  ASP   A O    1 
ATOM   971  C CB   . ASP   A 1 168 ? -16.44307 0.45810   -7.70496  1.000 35.71989  ? 763  ASP   A CB   1 
ATOM   972  C CG   . ASP   A 1 168 ? -15.47898 -0.72324  -7.71451  1.000 39.01849  ? 763  ASP   A CG   1 
ATOM   973  O OD1  . ASP   A 1 168 ? -15.28540 -1.34697  -6.65154  1.000 38.15815  ? 763  ASP   A OD1  1 
ATOM   974  O OD2  . ASP   A 1 168 ? -14.91015 -1.02694  -8.79280  1.000 40.96593  ? 763  ASP   A OD2  1 
ATOM   975  N N    . LEU   A 1 169 ? -19.18156 1.97292   -7.28730  1.000 31.98378  ? 764  LEU   A N    1 
ATOM   976  C CA   . LEU   A 1 169 ? -19.92891 3.22655   -7.21062  1.000 33.49201  ? 764  LEU   A CA   1 
ATOM   977  C C    . LEU   A 1 169 ? -20.62606 3.37345   -5.86622  1.000 33.44521  ? 764  LEU   A C    1 
ATOM   978  O O    . LEU   A 1 169 ? -20.66872 4.47136   -5.29687  1.000 33.21278  ? 764  LEU   A O    1 
ATOM   979  C CB   . LEU   A 1 169 ? -20.94896 3.31455   -8.34126  1.000 33.94547  ? 764  LEU   A CB   1 
ATOM   980  C CG   . LEU   A 1 169 ? -20.26955 3.35931   -9.70568  1.000 32.65018  ? 764  LEU   A CG   1 
ATOM   981  C CD1  . LEU   A 1 169 ? -21.30201 3.41963   -10.82755 1.000 33.57218  ? 764  LEU   A CD1  1 
ATOM   982  C CD2  . LEU   A 1 169 ? -19.32268 4.56797   -9.73109  1.000 34.73686  ? 764  LEU   A CD2  1 
ATOM   983  N N    . ILE   A 1 170 ? -21.19343 2.28416   -5.34685  1.000 33.30010  ? 765  ILE   A N    1 
ATOM   984  C CA   . ILE   A 1 170 ? -21.88548 2.37163   -4.06632  1.000 32.34115  ? 765  ILE   A CA   1 
ATOM   985  C C    . ILE   A 1 170 ? -20.88616 2.63422   -2.94802  1.000 35.12968  ? 765  ILE   A C    1 
ATOM   986  O O    . ILE   A 1 170 ? -21.17121 3.38443   -2.00424  1.000 32.47633  ? 765  ILE   A O    1 
ATOM   987  C CB   . ILE   A 1 170 ? -22.71185 1.09555   -3.82259  1.000 34.30385  ? 765  ILE   A CB   1 
ATOM   988  C CG1  . ILE   A 1 170 ? -23.64954 0.83297   -5.01259  1.000 33.10438  ? 765  ILE   A CG1  1 
ATOM   989  C CG2  . ILE   A 1 170 ? -23.48088 1.18719   -2.51612  1.000 33.91564  ? 765  ILE   A CG2  1 
ATOM   990  C CD1  . ILE   A 1 170 ? -24.56221 2.03767   -5.35551  1.000 31.65712  ? 765  ILE   A CD1  1 
ATOM   991  N N    . VAL   A 1 171 ? -19.69443 2.03550   -3.04109  1.000 32.72288  ? 766  VAL   A N    1 
ATOM   992  C CA   . VAL   A 1 171 ? -18.65563 2.30579   -2.05058  1.000 35.87821  ? 766  VAL   A CA   1 
ATOM   993  C C    . VAL   A 1 171 ? -18.27179 3.78479   -2.06872  1.000 38.64602  ? 766  VAL   A C    1 
ATOM   994  O O    . VAL   A 1 171 ? -17.99992 4.38326   -1.01971  1.000 37.51130  ? 766  VAL   A O    1 
ATOM   995  C CB   . VAL   A 1 171 ? -17.44023 1.38624   -2.28867  1.000 38.71323  ? 766  VAL   A CB   1 
ATOM   996  C CG1  . VAL   A 1 171 ? -16.30320 1.74866   -1.36660  1.000 40.38498  ? 766  VAL   A CG1  1 
ATOM   997  C CG2  . VAL   A 1 171 ? -17.83158 -0.07061  -2.07932  1.000 35.84111  ? 766  VAL   A CG2  1 
ATOM   998  N N    . ARG   A 1 172 ? -18.24991 4.40620   -3.25492  1.000 34.41741  ? 767  ARG   A N    1 
ATOM   999  C CA   . ARG   A 1 172 ? -17.95886 5.83747   -3.31331  1.000 33.93998  ? 767  ARG   A CA   1 
ATOM   1000 C C    . ARG   A 1 172 ? -19.03085 6.64988   -2.59126  1.000 36.85885  ? 767  ARG   A C    1 
ATOM   1001 O O    . ARG   A 1 172 ? -18.72342 7.65171   -1.93406  1.000 39.84860  ? 767  ARG   A O    1 
ATOM   1002 C CB   . ARG   A 1 172 ? -17.81238 6.29549   -4.77185  1.000 36.12244  ? 767  ARG   A CB   1 
ATOM   1003 C CG   . ARG   A 1 172 ? -16.41668 6.04303   -5.34148  1.000 40.01956  ? 767  ARG   A CG   1 
ATOM   1004 C CD   . ARG   A 1 172 ? -16.39697 5.87710   -6.85316  1.000 46.23154  ? 767  ARG   A CD   1 
ATOM   1005 N NE   . ARG   A 1 172 ? -16.85066 7.07215   -7.54246  1.000 42.07296  ? 767  ARG   A NE   1 
ATOM   1006 C CZ   . ARG   A 1 172 ? -16.71638 7.28312   -8.84697  1.000 48.54411  ? 767  ARG   A CZ   1 
ATOM   1007 N NH1  . ARG   A 1 172 ? -16.11867 6.40343   -9.63763  1.000 43.44815  ? 767  ARG   A NH1  1 
ATOM   1008 N NH2  . ARG   A 1 172 ? -17.19368 8.40637   -9.37047  1.000 44.05750  ? 767  ARG   A NH2  1 
ATOM   1009 N N    . ILE   A 1 173 ? -20.29473 6.23395   -2.69098  1.000 32.90361  ? 768  ILE   A N    1 
ATOM   1010 C CA   . ILE   A 1 173 ? -21.35897 6.92105   -1.95961  1.000 38.75280  ? 768  ILE   A CA   1 
ATOM   1011 C C    . ILE   A 1 173 ? -21.12710 6.80352   -0.45851  1.000 40.37350  ? 768  ILE   A C    1 
ATOM   1012 O O    . ILE   A 1 173 ? -21.17817 7.79530   0.28091   1.000 39.75131  ? 768  ILE   A O    1 
ATOM   1013 C CB   . ILE   A 1 173 ? -22.73675 6.35541   -2.34732  1.000 38.22740  ? 768  ILE   A CB   1 
ATOM   1014 C CG1  . ILE   A 1 173 ? -23.08635 6.69304   -3.80363  1.000 35.87350  ? 768  ILE   A CG1  1 
ATOM   1015 C CG2  . ILE   A 1 173 ? -23.81276 6.89600   -1.41101  1.000 39.29944  ? 768  ILE   A CG2  1 
ATOM   1016 C CD1  . ILE   A 1 173 ? -24.30855 5.93955   -4.29605  1.000 33.21438  ? 768  ILE   A CD1  1 
ATOM   1017 N N    . LEU   A 1 174 ? -20.88069 5.58255   0.01319   1.000 38.62734  ? 769  LEU   A N    1 
ATOM   1018 C CA   . LEU   A 1 174 ? -20.69113 5.36945   1.44736   1.000 37.48192  ? 769  LEU   A CA   1 
ATOM   1019 C C    . LEU   A 1 174 ? -19.50704 6.17116   1.97289   1.000 48.08901  ? 769  LEU   A C    1 
ATOM   1020 O O    . LEU   A 1 174 ? -19.53449 6.66112   3.10693   1.000 48.31491  ? 769  LEU   A O    1 
ATOM   1021 C CB   . LEU   A 1 174 ? -20.51041 3.88183   1.72477   1.000 36.03189  ? 769  LEU   A CB   1 
ATOM   1022 C CG   . LEU   A 1 174 ? -21.72003 3.04661   1.30049   1.000 37.46185  ? 769  LEU   A CG   1 
ATOM   1023 C CD1  . LEU   A 1 174 ? -21.42104 1.54904   1.29536   1.000 38.56168  ? 769  LEU   A CD1  1 
ATOM   1024 C CD2  . LEU   A 1 174 ? -22.91249 3.36235   2.18916   1.000 40.75251  ? 769  LEU   A CD2  1 
ATOM   1025 N N    . LYS   A 1 175 ? -18.45795 6.32493   1.16331   1.000 53.52265  ? 770  LYS   A N    1 
ATOM   1026 C CA   . LYS   A 1 175 ? -17.29174 7.08038   1.60768   1.000 57.01520  ? 770  LYS   A CA   1 
ATOM   1027 C C    . LYS   A 1 175 ? -17.57960 8.56643   1.79181   1.000 58.48245  ? 770  LYS   A C    1 
ATOM   1028 O O    . LYS   A 1 175 ? -16.71091 9.28687   2.29189   1.000 65.23125  ? 770  LYS   A O    1 
ATOM   1029 C CB   . LYS   A 1 175 ? -16.13350 6.89667   0.62531   1.000 59.51047  ? 770  LYS   A CB   1 
ATOM   1030 C CG   . LYS   A 1 175 ? -15.07105 5.88785   1.07329   1.000 61.58356  ? 770  LYS   A CG   1 
ATOM   1031 C CD   . LYS   A 1 175 ? -15.45638 4.44570   0.74295   1.000 62.90663  ? 770  LYS   A CD   1 
ATOM   1032 C CE   . LYS   A 1 175 ? -16.20942 3.75987   1.88898   1.000 61.05526  ? 770  LYS   A CE   1 
ATOM   1033 N NZ   . LYS   A 1 175 ? -15.34726 3.44628   3.06887   1.000 65.26983  ? 770  LYS   A NZ   1 
ATOM   1034 N N    . ASN   A 1 176 ? -18.76738 9.04199   1.41808   1.000 62.24752  ? 771  ASN   A N    1 
ATOM   1035 C CA   . ASN   A 1 176 ? -19.15027 10.42723  1.67838   1.000 62.44240  ? 771  ASN   A CA   1 
ATOM   1036 C C    . ASN   A 1 176 ? -19.58897 10.66728  3.11763   1.000 67.38522  ? 771  ASN   A C    1 
ATOM   1037 O O    . ASN   A 1 176 ? -19.69509 11.82845  3.53140   1.000 70.59541  ? 771  ASN   A O    1 
ATOM   1038 C CB   . ASN   A 1 176 ? -20.28088 10.85438  0.73517   1.000 68.46361  ? 771  ASN   A CB   1 
ATOM   1039 C CG   . ASN   A 1 176 ? -19.85290 11.93780  -0.24056  1.000 74.04336  ? 771  ASN   A CG   1 
ATOM   1040 O OD1  . ASN   A 1 176 ? -18.66762 12.09592  -0.53627  1.000 77.39583  ? 771  ASN   A OD1  1 
ATOM   1041 N ND2  . ASN   A 1 176 ? -20.82030 12.69065  -0.74450  1.000 75.59826  ? 771  ASN   A ND2  1 
ATOM   1042 N N    . TYR   A 1 177 ? -19.85843 9.61158   3.88375   1.000 61.05924  ? 772  TYR   A N    1 
ATOM   1043 C CA   . TYR   A 1 177 ? -20.29424 9.73529   5.27157   1.000 61.61164  ? 772  TYR   A CA   1 
ATOM   1044 C C    . TYR   A 1 177 ? -19.10128 9.42728   6.16407   1.000 64.55702  ? 772  TYR   A C    1 
ATOM   1045 O O    . TYR   A 1 177 ? -18.74140 8.26151   6.35821   1.000 61.03108  ? 772  TYR   A O    1 
ATOM   1046 C CB   . TYR   A 1 177 ? -21.47229 8.81029   5.56136   1.000 55.20471  ? 772  TYR   A CB   1 
ATOM   1047 C CG   . TYR   A 1 177 ? -22.72154 9.19537   4.80291   1.000 56.83337  ? 772  TYR   A CG   1 
ATOM   1048 C CD1  . TYR   A 1 177 ? -22.88414 8.84198   3.46333   1.000 54.97843  ? 772  TYR   A CD1  1 
ATOM   1049 C CD2  . TYR   A 1 177 ? -23.73001 9.93031   5.41588   1.000 54.93054  ? 772  TYR   A CD2  1 
ATOM   1050 C CE1  . TYR   A 1 177 ? -24.01791 9.20045   2.76226   1.000 51.49884  ? 772  TYR   A CE1  1 
ATOM   1051 C CE2  . TYR   A 1 177 ? -24.87322 10.29248  4.71894   1.000 52.51006  ? 772  TYR   A CE2  1 
ATOM   1052 C CZ   . TYR   A 1 177 ? -25.01034 9.92724   3.39527   1.000 53.13389  ? 772  TYR   A CZ   1 
ATOM   1053 O OH   . TYR   A 1 177 ? -26.14695 10.28694  2.70085   1.000 55.94364  ? 772  TYR   A OH   1 
ATOM   1054 N N    . GLU   A 1 178 ? -18.47641 10.48406  6.68624   1.000 66.15551  ? 773  GLU   A N    1 
ATOM   1055 C CA   . GLU   A 1 178 ? -17.42617 10.32261  7.68105   1.000 66.68457  ? 773  GLU   A CA   1 
ATOM   1056 C C    . GLU   A 1 178 ? -17.90407 9.40321   8.79392   1.000 64.91964  ? 773  GLU   A C    1 
ATOM   1057 O O    . GLU   A 1 178 ? -19.02488 9.53678   9.29356   1.000 66.07498  ? 773  GLU   A O    1 
ATOM   1058 C CB   . GLU   A 1 178 ? -17.02627 11.67667  8.27071   1.000 66.14439  ? 773  GLU   A CB   1 
ATOM   1059 C CG   . GLU   A 1 178 ? -16.94436 12.80082  7.26239   1.000 73.69713  ? 773  GLU   A CG   1 
ATOM   1060 C CD   . GLU   A 1 178 ? -16.81721 14.16311  7.91767   1.000 79.47409  ? 773  GLU   A CD   1 
ATOM   1061 O OE1  . GLU   A 1 178 ? -16.31790 14.24451  9.06411   1.000 78.14396  ? 773  GLU   A OE1  1 
ATOM   1062 O OE2  . GLU   A 1 178 ? -17.22673 15.15754  7.28303   1.000 85.17865  ? 773  GLU   A OE2  1 
ATOM   1063 N N    . ASP   A 1 179 ? -17.04270 8.46304   9.18402   1.000 57.12508  ? 774  ASP   A N    1 
ATOM   1064 C CA   . ASP   A 1 179 ? -17.43349 7.50058   10.20562  1.000 51.44197  ? 774  ASP   A CA   1 
ATOM   1065 C C    . ASP   A 1 179 ? -17.76389 8.18291   11.52878  1.000 52.65948  ? 774  ASP   A C    1 
ATOM   1066 O O    . ASP   A 1 179 ? -18.57018 7.66002   12.30638  1.000 48.21392  ? 774  ASP   A O    1 
ATOM   1067 C CB   . ASP   A 1 179 ? -16.32619 6.46595   10.42060  1.000 52.46340  ? 774  ASP   A CB   1 
ATOM   1068 C CG   . ASP   A 1 179 ? -16.12897 5.53839   9.22282   1.000 52.25761  ? 774  ASP   A CG   1 
ATOM   1069 O OD1  . ASP   A 1 179 ? -16.99183 5.48559   8.31281   1.000 42.12166  ? 774  ASP   A OD1  1 
ATOM   1070 O OD2  . ASP   A 1 179 ? -15.09092 4.83933   9.21673   1.000 59.09362  ? 774  ASP   A OD2  1 
ATOM   1071 N N    . TYR   A 1 180 ? -17.15654 9.33666   11.80665  1.000 48.89814  ? 775  TYR   A N    1 
ATOM   1072 C CA   . TYR   A 1 180 ? -17.34634 10.01401  13.08934  1.000 51.17502  ? 775  TYR   A CA   1 
ATOM   1073 C C    . TYR   A 1 180 ? -17.85401 11.44400  12.89882  1.000 53.52421  ? 775  TYR   A C    1 
ATOM   1074 O O    . TYR   A 1 180 ? -18.49483 12.03106  13.77197  1.000 53.90058  ? 775  TYR   A O    1 
ATOM   1075 C CB   . TYR   A 1 180 ? -16.03763 10.02591  13.88502  1.000 53.07067  ? 775  TYR   A CB   1 
ATOM   1076 C CG   . TYR   A 1 180 ? -15.55398 8.64873   14.27788  1.000 53.09257  ? 775  TYR   A CG   1 
ATOM   1077 C CD1  . TYR   A 1 180 ? -14.90546 7.83168   13.35662  1.000 57.61509  ? 775  TYR   A CD1  1 
ATOM   1078 C CD2  . TYR   A 1 180 ? -15.75585 8.15994   15.56511  1.000 54.86110  ? 775  TYR   A CD2  1 
ATOM   1079 C CE1  . TYR   A 1 180 ? -14.46586 6.56962   13.70532  1.000 52.41917  ? 775  TYR   A CE1  1 
ATOM   1080 C CE2  . TYR   A 1 180 ? -15.31596 6.90037   15.92568  1.000 55.51358  ? 775  TYR   A CE2  1 
ATOM   1081 C CZ   . TYR   A 1 180 ? -14.67389 6.10840   14.98392  1.000 54.30431  ? 775  TYR   A CZ   1 
ATOM   1082 O OH   . TYR   A 1 180 ? -14.23017 4.84955   15.32263  1.000 55.85731  ? 775  TYR   A OH   1 
ATOM   1083 O OXT  . TYR   A 1 180 ? -17.63121 12.04377  11.84804  1.000 58.15827  ? 775  TYR   A OXT  1 
HETATM 1084 C C01  . A1IWR B 2 .   ? -11.26031 -18.07205 -39.17767 1.000 38.86756  ? 801  A1IWR A C01  1 
HETATM 1085 C C02  . A1IWR B 2 .   ? -10.37028 -18.60765 -38.09309 1.000 34.84813  ? 801  A1IWR A C02  1 
HETATM 1086 C C03  . A1IWR B 2 .   ? -10.60813 -19.19913 -36.93039 1.000 35.61434  ? 801  A1IWR A C03  1 
HETATM 1087 C C04  . A1IWR B 2 .   ? -9.28473  -19.48586 -36.40490 1.000 33.23900  ? 801  A1IWR A C04  1 
HETATM 1088 C C07  . A1IWR B 2 .   ? -9.04471  -20.15390 -35.07437 1.000 33.30693  ? 801  A1IWR A C07  1 
HETATM 1089 N N05  . A1IWR B 2 .   ? -8.40203  -19.04122 -37.29899 1.000 34.73089  ? 801  A1IWR A N05  1 
HETATM 1090 N N08  . A1IWR B 2 .   ? -9.52664  -21.51840 -35.00277 1.000 32.21281  ? 801  A1IWR A N08  1 
HETATM 1091 O O06  . A1IWR B 2 .   ? -9.03806  -18.52703 -38.31025 1.000 39.41453  ? 801  A1IWR A O06  1 
HETATM 1092 H H011 . A1IWR B 2 .   ? -12.10230 -18.48487 -39.12910 1.000 46.66655  ? 801  A1IWR A H011 1 
HETATM 1093 H H013 . A1IWR B 2 .   ? -10.87766 -18.24776 -40.01697 1.000 46.66655  ? 801  A1IWR A H013 1 
HETATM 1094 H H012 . A1IWR B 2 .   ? -11.36404 -17.14467 -39.07309 1.000 46.66655  ? 801  A1IWR A H012 1 
HETATM 1095 H H031 . A1IWR B 2 .   ? -11.42982 -19.38763 -36.54007 1.000 42.76268  ? 801  A1IWR A H031 1 
HETATM 1096 H H071 . A1IWR B 2 .   ? -9.45200  -19.59994 -34.39016 1.000 39.99380  ? 801  A1IWR A H071 1 
HETATM 1097 H H072 . A1IWR B 2 .   ? -8.09376  -20.10585 -34.88919 1.000 39.99380  ? 801  A1IWR A H072 1 
HETATM 1098 H H082 . A1IWR B 2 .   ? -10.01341 -21.70590 -34.29360 1.000 38.68085  ? 801  A1IWR A H082 1 
HETATM 1099 H H081 . A1IWR B 2 .   ? -9.92767  -21.82312 -35.73973 1.000 38.68085  ? 801  A1IWR A H081 1 
HETATM 1100 C C01  . A1IWR C 2 .   ? -19.78115 -19.99774 -19.30463 1.000 39.66364  ? 802  A1IWR A C01  1 
HETATM 1101 C C02  . A1IWR C 2 .   ? -19.44184 -19.28260 -18.03070 1.000 40.35166  ? 802  A1IWR A C02  1 
HETATM 1102 C C03  . A1IWR C 2 .   ? -19.16198 -18.00824 -17.79698 1.000 38.04901  ? 802  A1IWR A C03  1 
HETATM 1103 C C04  . A1IWR C 2 .   ? -18.82383 -17.96442 -16.40295 1.000 46.66471  ? 802  A1IWR A C04  1 
HETATM 1104 C C07  . A1IWR C 2 .   ? -18.45854 -16.69679 -15.65128 1.000 47.15382  ? 802  A1IWR A C07  1 
HETATM 1105 N N05  . A1IWR C 2 .   ? -18.90866 -19.21383 -15.94246 1.000 48.06575  ? 802  A1IWR A N05  1 
HETATM 1106 N N08  . A1IWR C 2 .   ? -17.64952 -16.94395 -14.51052 1.000 54.08695  ? 802  A1IWR A N08  1 
HETATM 1107 O O06  . A1IWR C 2 .   ? -19.26517 -20.01029 -16.90267 1.000 42.26073  ? 802  A1IWR A O06  1 
HETATM 1108 H H011 . A1IWR C 2 .   ? -20.52144 -20.55842 -19.16555 1.000 47.62185  ? 802  A1IWR A H011 1 
HETATM 1109 H H013 . A1IWR C 2 .   ? -19.04862 -20.51570 -19.58182 1.000 47.62185  ? 802  A1IWR A H013 1 
HETATM 1110 H H012 . A1IWR C 2 .   ? -19.98834 -19.37211 -19.97349 1.000 47.62185  ? 802  A1IWR A H012 1 
HETATM 1111 H H031 . A1IWR C 2 .   ? -19.17994 -17.30056 -18.39857 1.000 45.68429  ? 802  A1IWR A H031 1 
HETATM 1112 H H071 . A1IWR C 2 .   ? -19.28174 -16.24241 -15.41299 1.000 56.61006  ? 802  A1IWR A H071 1 
HETATM 1113 H H072 . A1IWR C 2 .   ? -18.02226 -16.09467 -16.27419 1.000 56.61006  ? 802  A1IWR A H072 1 
HETATM 1114 H H082 . A1IWR C 2 .   ? -18.01580 -17.47201 -13.89836 1.000 64.92982  ? 802  A1IWR A H082 1 
HETATM 1115 H H081 . A1IWR C 2 .   ? -17.32340 -16.21159 -14.12557 1.000 64.92982  ? 802  A1IWR A H081 1 
HETATM 1116 O O    . HOH   D 3 .   ? -18.812   5.866     7.875     1.000 43.92416  ? 901  HOH   A O    1 
HETATM 1117 O O    . HOH   D 3 .   ? -33.59803 -5.01329  -13.74823 1.000 45.21993  ? 902  HOH   A O    1 
HETATM 1118 O O    . HOH   D 3 .   ? -12.236   3.263     -19.034   1.000 47.40301  ? 903  HOH   A O    1 
HETATM 1119 O O    . HOH   D 3 .   ? -17.11156 -8.60029  -19.05801 1.000 41.02587  ? 904  HOH   A O    1 
HETATM 1120 O O    . HOH   D 3 .   ? -36.37245 -8.02217  -17.28868 1.000 43.31467  ? 905  HOH   A O    1 
HETATM 1121 O O    . HOH   D 3 .   ? -18.430   13.995    15.275    1.000 43.24489  ? 906  HOH   A O    1 
HETATM 1122 O O    . HOH   D 3 .   ? -5.76138  -14.05579 -33.50850 1.000 38.94743  ? 907  HOH   A O    1 
HETATM 1123 O O    . HOH   D 3 .   ? -13.29088 3.14728   -27.20865 1.000 45.58816  ? 908  HOH   A O    1 
HETATM 1124 O O    . HOH   D 3 .   ? -15.89731 -16.50556 -40.14896 1.000 41.31607  ? 909  HOH   A O    1 
HETATM 1125 O O    . HOH   D 3 .   ? -12.96939 -2.65829  -9.00538  1.000 47.89939  ? 910  HOH   A O    1 
HETATM 1126 O O    . HOH   D 3 .   ? -13.46563 2.25937   -24.36710 1.000 38.46509  ? 911  HOH   A O    1 
HETATM 1127 O O    . HOH   D 3 .   ? -29.93923 -3.70055  -15.36364 1.000 32.72055  ? 912  HOH   A O    1 
HETATM 1128 O O    . HOH   D 3 .   ? -19.20814 -27.43007 -37.19964 1.000 55.93626  ? 913  HOH   A O    1 
HETATM 1129 O O    . HOH   D 3 .   ? -4.99351  -15.99612 -29.70888 1.000 39.86846  ? 914  HOH   A O    1 
HETATM 1130 O O    . HOH   D 3 .   ? -26.28275 -11.24509 -36.08021 1.000 42.04305  ? 915  HOH   A O    1 
HETATM 1131 O O    . HOH   D 3 .   ? -14.31443 -2.78187  -12.04106 1.000 42.80235  ? 916  HOH   A O    1 
HETATM 1132 O O    . HOH   D 3 .   ? -16.01654 -18.81106 -13.65221 1.000 58.33123  ? 917  HOH   A O    1 
HETATM 1133 O O    . HOH   D 3 .   ? -25.23684 -21.11301 -17.47091 1.000 31.71381  ? 918  HOH   A O    1 
HETATM 1134 O O    . HOH   D 3 .   ? -39.158   -12.530   -21.575   1.000 36.07565  ? 919  HOH   A O    1 
HETATM 1135 O O    . HOH   D 3 .   ? -20.94909 -20.41606 -22.38359 1.000 31.87503  ? 920  HOH   A O    1 
HETATM 1136 O O    . HOH   D 3 .   ? -9.39985  -7.64721  -38.85116 1.000 43.00911  ? 921  HOH   A O    1 
HETATM 1137 O O    . HOH   D 3 .   ? -19.892   11.023    15.787    1.000 33.04737  ? 922  HOH   A O    1 
HETATM 1138 O O    . HOH   D 3 .   ? -16.13662 -22.91068 -35.40511 1.000 37.68445  ? 923  HOH   A O    1 
HETATM 1139 O O    . HOH   D 3 .   ? -16.84886 -15.26763 -18.32014 1.000 46.60900  ? 924  HOH   A O    1 
HETATM 1140 O O    . HOH   D 3 .   ? -15.09149 -26.66802 -32.27240 1.000 39.05903  ? 925  HOH   A O    1 
HETATM 1141 O O    . HOH   D 3 .   ? -37.56786 -14.44230 -15.98853 1.000 37.27019  ? 926  HOH   A O    1 
HETATM 1142 O O    . HOH   D 3 .   ? -27.32009 -5.41871  -15.34701 1.000 28.93760  ? 927  HOH   A O    1 
HETATM 1143 O O    . HOH   D 3 .   ? -27.70828 -9.15967  -34.78178 1.000 39.87400  ? 928  HOH   A O    1 
HETATM 1144 O O    . HOH   D 3 .   ? -27.75313 -22.38798 -24.36630 1.000 41.13957  ? 929  HOH   A O    1 
HETATM 1145 O O    . HOH   D 3 .   ? -26.83516 -7.25237  -17.57604 1.000 26.04848  ? 930  HOH   A O    1 
HETATM 1146 O O    . HOH   D 3 .   ? -16.95043 -22.70469 -17.55031 1.000 45.97973  ? 931  HOH   A O    1 
HETATM 1147 O O    . HOH   D 3 .   ? -24.43836 -25.70560 -18.77361 1.000 35.80982  ? 932  HOH   A O    1 
HETATM 1148 O O    . HOH   D 3 .   ? -37.25916 -10.21529 -21.43853 1.000 42.67266  ? 933  HOH   A O    1 
HETATM 1149 O O    . HOH   D 3 .   ? -24.26895 -27.43337 -14.89795 1.000 44.67059  ? 934  HOH   A O    1 
HETATM 1150 O O    . HOH   D 3 .   ? -15.75694 -15.42188 -22.06203 1.000 45.68478  ? 935  HOH   A O    1 
HETATM 1151 O O    . HOH   D 3 .   ? -8.807    -24.916   -34.667   1.000 28.33516  ? 936  HOH   A O    1 
HETATM 1152 O O    . HOH   D 3 .   ? -8.46192  -28.04889 -28.97617 1.000 34.39882  ? 937  HOH   A O    1 
HETATM 1153 O O    . HOH   D 3 .   ? -8.96349  -27.29936 -21.32142 1.000 50.19670  ? 938  HOH   A O    1 
HETATM 1154 O O    . HOH   D 3 .   ? -35.08476 -15.06109 -15.62060 1.000 30.51433  ? 939  HOH   A O    1 
HETATM 1155 O O    . HOH   D 3 .   ? -26.39849 -17.59265 -34.02353 1.000 49.35085  ? 940  HOH   A O    1 
HETATM 1156 O O    . HOH   D 3 .   ? -20.937   10.751    10.846    1.000 49.08616  ? 941  HOH   A O    1 
HETATM 1157 O O    . HOH   D 3 .   ? -35.44752 -3.12274  -22.30688 1.000 27.68857  ? 942  HOH   A O    1 
HETATM 1158 O O    . HOH   D 3 .   ? -12.94033 -4.00277  -18.68699 1.000 38.69091  ? 943  HOH   A O    1 
HETATM 1159 O O    . HOH   D 3 .   ? -19.97279 1.50687   -14.13653 1.000 27.30929  ? 944  HOH   A O    1 
HETATM 1160 O O    . HOH   D 3 .   ? -36.172   -7.615    -24.613   1.000 31.85311  ? 945  HOH   A O    1 
HETATM 1161 O O    . HOH   D 3 .   ? -9.78794  -5.55701  -29.20058 1.000 32.96896  ? 946  HOH   A O    1 
HETATM 1162 O O    . HOH   D 3 .   ? -20.98192 -25.24205 -24.44254 1.000 36.37077  ? 947  HOH   A O    1 
HETATM 1163 O O    . HOH   D 3 .   ? -22.42020 -4.26259  -32.85974 1.000 34.33267  ? 948  HOH   A O    1 
HETATM 1164 O O    . HOH   D 3 .   ? -22.29675 -29.35013 -32.52092 1.000 48.54967  ? 949  HOH   A O    1 
HETATM 1165 O O    . HOH   D 3 .   ? -21.30064 -6.49341  -11.18361 1.000 33.70484  ? 950  HOH   A O    1 
HETATM 1166 O O    . HOH   D 3 .   ? -18.04400 -18.33138 -38.49008 1.000 35.22274  ? 951  HOH   A O    1 
HETATM 1167 O O    . HOH   D 3 .   ? -8.27274  -1.15064  -14.93785 1.000 53.91473  ? 952  HOH   A O    1 
HETATM 1168 O O    . HOH   D 3 .   ? -17.66802 -11.84092 -44.70867 1.000 53.15056  ? 953  HOH   A O    1 
HETATM 1169 O O    . HOH   D 3 .   ? -14.34591 0.08564   -4.40721  1.000 43.26138  ? 954  HOH   A O    1 
HETATM 1170 O O    . HOH   D 3 .   ? -27.53023 -23.14617 -18.99100 1.000 33.93770  ? 955  HOH   A O    1 
HETATM 1171 O O    . HOH   D 3 .   ? -30.949   -17.124   -26.281   1.000 31.15838  ? 956  HOH   A O    1 
HETATM 1172 O O    . HOH   D 3 .   ? -23.30225 -17.58452 -35.87184 1.000 41.71461  ? 957  HOH   A O    1 
HETATM 1173 O O    . HOH   D 3 .   ? -28.28361 -23.54906 -7.77628  1.000 45.98205  ? 958  HOH   A O    1 
HETATM 1174 O O    . HOH   D 3 .   ? -15.17000 -4.93702  -35.16695 1.000 32.08235  ? 959  HOH   A O    1 
HETATM 1175 O O    . HOH   D 3 .   ? -17.35624 -9.85665  -21.55692 1.000 35.47252  ? 960  HOH   A O    1 
HETATM 1176 O O    . HOH   D 3 .   ? -24.757   -1.572    -32.709   1.000 45.98883  ? 961  HOH   A O    1 
HETATM 1177 O O    . HOH   D 3 .   ? -15.55565 -19.88835 -40.10263 1.000 43.37791  ? 962  HOH   A O    1 
HETATM 1178 O O    . HOH   D 3 .   ? -12.58342 -1.35772  -24.41608 1.000 36.45494  ? 963  HOH   A O    1 
HETATM 1179 O O    . HOH   D 3 .   ? -27.01630 -23.07497 -26.50564 1.000 43.93039  ? 964  HOH   A O    1 
HETATM 1180 O O    . HOH   D 3 .   ? -34.68855 -10.45367 -21.49132 1.000 27.86610  ? 965  HOH   A O    1 
HETATM 1181 O O    . HOH   D 3 .   ? -31.88966 -18.90837 -15.30772 1.000 31.37433  ? 966  HOH   A O    1 
HETATM 1182 O O    . HOH   D 3 .   ? -28.637   11.129    3.926     1.000 49.68576  ? 967  HOH   A O    1 
HETATM 1183 O O    . HOH   D 3 .   ? -30.942   -14.921   -29.553   1.000 33.90588  ? 968  HOH   A O    1 
HETATM 1184 O O    . HOH   D 3 .   ? -21.30232 -9.85229  -13.33699 1.000 30.81180  ? 969  HOH   A O    1 
HETATM 1185 O O    . HOH   D 3 .   ? -12.56753 -9.31566  -39.75310 1.000 43.96197  ? 970  HOH   A O    1 
HETATM 1186 O O    . HOH   D 3 .   ? -31.83206 -21.08789 -13.61641 1.000 40.79288  ? 971  HOH   A O    1 
HETATM 1187 O O    . HOH   D 3 .   ? -22.69761 -13.71541 -38.35110 1.000 39.55947  ? 972  HOH   A O    1 
HETATM 1188 O O    . HOH   D 3 .   ? -9.52243  -14.54391 -38.82157 1.000 39.85106  ? 973  HOH   A O    1 
HETATM 1189 O O    . HOH   D 3 .   ? -14.90329 2.55099   -5.12181  1.000 40.15441  ? 974  HOH   A O    1 
HETATM 1190 O O    . HOH   D 3 .   ? -15.95863 -9.72927  -23.53292 1.000 37.80832  ? 975  HOH   A O    1 
HETATM 1191 O O    . HOH   D 3 .   ? -11.30934 -12.35108 -41.62520 1.000 48.73633  ? 976  HOH   A O    1 
HETATM 1192 O O    . HOH   D 3 .   ? -26.99642 -25.54072 -26.90645 1.000 51.75862  ? 977  HOH   A O    1 
HETATM 1193 O O    . HOH   D 3 .   ? -16.40522 2.76008   -31.94612 1.000 38.11870  ? 978  HOH   A O    1 
HETATM 1194 O O    . HOH   D 3 .   ? -22.84821 1.80768   -33.30449 1.000 47.96046  ? 979  HOH   A O    1 
HETATM 1195 O O    . HOH   D 3 .   ? -14.59903 -11.48269 -22.38436 1.000 45.70636  ? 980  HOH   A O    1 
HETATM 1196 O O    . HOH   D 3 .   ? -22.26455 -26.67104 -19.06458 1.000 36.99460  ? 981  HOH   A O    1 
HETATM 1197 O O    . HOH   D 3 .   ? -31.530   -4.411    -28.991   1.000 35.09783  ? 982  HOH   A O    1 
HETATM 1198 O O    . HOH   D 3 .   ? -17.41180 -5.40318  -36.68604 1.000 34.03739  ? 983  HOH   A O    1 
HETATM 1199 O O    . HOH   D 3 .   ? -21.33143 -28.03509 -21.26693 1.000 41.17702  ? 984  HOH   A O    1 
HETATM 1200 O O    . HOH   D 3 .   ? -14.39723 8.27341   7.65054   1.000 55.26335  ? 985  HOH   A O    1 
HETATM 1201 O O    . HOH   D 3 .   ? -7.80013  -6.35087  -27.90826 1.000 44.46963  ? 986  HOH   A O    1 
HETATM 1202 O O    . HOH   D 3 .   ? -14.20225 -25.00698 -21.42591 1.000 41.18531  ? 987  HOH   A O    1 
HETATM 1203 O O    . HOH   D 3 .   ? -22.20259 -8.02824  -37.27521 1.000 44.89705  ? 988  HOH   A O    1 
HETATM 1204 O O    . HOH   D 3 .   ? -23.68549 -15.38740 -36.28495 1.000 43.03634  ? 989  HOH   A O    1 
HETATM 1205 O O    . HOH   D 3 .   ? -20.52953 -4.60989  -9.37257  1.000 31.34443  ? 990  HOH   A O    1 
HETATM 1206 O O    . HOH   D 3 .   ? -23.79357 -9.26931  -36.92603 1.000 40.98607  ? 991  HOH   A O    1 
HETATM 1207 O O    . HOH   D 3 .   ? -16.03557 -12.13110 -20.58205 1.000 45.87629  ? 992  HOH   A O    1 
HETATM 1208 O O    . HOH   D 3 .   ? -14.08052 3.75965   -7.31111  1.000 46.80611  ? 993  HOH   A O    1 
HETATM 1209 O O    . HOH   D 3 .   ? -4.73737  -13.53206 -26.68944 1.000 48.01910  ? 994  HOH   A O    1 
HETATM 1210 O O    . HOH   D 3 .   ? -15.69886 -22.72551 -20.26245 1.000 41.72957  ? 995  HOH   A O    1 
HETATM 1211 O O    . HOH   D 3 .   ? -13.04185 -26.14204 -35.69138 1.000 38.28183  ? 996  HOH   A O    1 
HETATM 1212 O O    . HOH   D 3 .   ? -11.34999 1.08454   -28.48213 1.000 45.87661  ? 997  HOH   A O    1 
HETATM 1213 O O    . HOH   D 3 .   ? -6.950    -30.391   -26.981   1.000 37.99550  ? 998  HOH   A O    1 
HETATM 1214 O O    . HOH   D 3 .   ? -36.365   -5.986    -28.351   1.000 37.03615  ? 999  HOH   A O    1 
HETATM 1215 O O    . HOH   D 3 .   ? -37.97977 -4.44442  -16.62812 1.000 53.30972  ? 1000 HOH   A O    1 
HETATM 1216 O O    . HOH   D 3 .   ? -27.815   -2.546    -14.551   1.000 37.13136  ? 1001 HOH   A O    1 
HETATM 1217 O O    . HOH   D 3 .   ? -23.14213 -26.94262 -24.97353 1.000 38.36887  ? 1002 HOH   A O    1 
HETATM 1218 O O    . HOH   D 3 .   ? -20.96566 -22.45294 -24.40724 1.000 37.46314  ? 1003 HOH   A O    1 
HETATM 1219 O O    . HOH   D 3 .   ? -37.54337 -9.51787  -15.85382 1.000 43.62884  ? 1004 HOH   A O    1 
HETATM 1220 O O    . HOH   D 3 .   ? -10.12155 -2.19887  -21.99781 1.000 49.76892  ? 1005 HOH   A O    1 
HETATM 1221 O O    . HOH   D 3 .   ? -17.96907 -11.03367 -17.89052 1.000 39.80685  ? 1006 HOH   A O    1 
HETATM 1222 O O    . HOH   D 3 .   ? -11.45630 -1.48136  -27.54578 1.000 40.44384  ? 1007 HOH   A O    1 
HETATM 1223 O O    . HOH   D 3 .   ? -37.641   -7.892    -26.967   1.000 40.00276  ? 1008 HOH   A O    1 
HETATM 1224 O O    . HOH   D 3 .   ? -34.43422 -17.85485 -15.61800 1.000 38.01357  ? 1009 HOH   A O    1 
HETATM 1225 O O    . HOH   D 3 .   ? 0.333     -31.342   -23.791   1.000 49.61984  ? 1010 HOH   A O    1 
HETATM 1226 O O    . HOH   D 3 .   ? -14.877   -29.473   -33.073   1.000 49.50772  ? 1011 HOH   A O    1 
HETATM 1227 O O    . HOH   D 3 .   ? -22.06850 -0.16153  -33.74370 1.000 51.36878  ? 1012 HOH   A O    1 
HETATM 1228 O O    . HOH   D 3 .   ? -13.99088 4.43884   -3.02332  1.000 47.65236  ? 1013 HOH   A O    1 
HETATM 1229 O O    . HOH   D 3 .   ? -19.82966 -17.37016 -39.86111 1.000 41.70713  ? 1014 HOH   A O    1 
HETATM 1230 O O    . HOH   D 3 .   ? -9.91731  -3.00013  -28.84614 1.000 40.74774  ? 1015 HOH   A O    1 
HETATM 1231 O O    . HOH   D 3 .   ? -20.21353 -30.76564 -33.72742 1.000 51.20212  ? 1016 HOH   A O    1 
HETATM 1232 O O    . HOH   D 3 .   ? -13.92635 -0.49627  -34.71959 1.000 48.49979  ? 1017 HOH   A O    1 
HETATM 1233 O O    . HOH   D 3 .   ? -19.92584 -29.82378 -20.88888 1.000 45.39312  ? 1018 HOH   A O    1 
HETATM 1234 O O    . HOH   D 3 .   ? -28.56154 -18.68065 -33.04711 1.000 48.62113  ? 1019 HOH   A O    1 
HETATM 1235 O O    . HOH   D 3 .   ? -19.83495 -1.54433  -33.32091 1.000 42.87505  ? 1020 HOH   A O    1 
HETATM 1236 O O    . HOH   D 3 .   ? -25.80577 -28.36352 -12.77199 1.000 51.26518  ? 1021 HOH   A O    1 
HETATM 1237 O O    . HOH   D 3 .   ? -11.72475 -0.54188  -34.18132 1.000 52.02800  ? 1022 HOH   A O    1 
HETATM 1238 O O    . HOH   D 3 .   ? -23.48875 -28.35603 -23.04611 1.000 51.55375  ? 1023 HOH   A O    1 
HETATM 1239 O O    . HOH   D 3 .   ? -10.95471 -15.21760 -41.20679 1.000 43.48526  ? 1024 HOH   A O    1 
HETATM 1240 O O    . HOH   D 3 .   ? -32.39099 -20.79756 -17.59036 1.000 43.84754  ? 1025 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   . SER A 38  ? 1.16720 0.84447 0.64620 0.02910  0.27987  0.00877  615 SER A N   
2    C CA  . SER A 38  ? 1.18636 0.83221 0.58137 0.06423  0.24800  0.02796  615 SER A CA  
3    C C   . SER A 38  ? 1.13808 0.83786 0.54825 0.09007  0.20059  0.01654  615 SER A C   
4    O O   . SER A 38  ? 1.18721 0.88145 0.57261 0.11710  0.16412  0.02792  615 SER A O   
5    C CB  . SER A 38  ? 1.27884 0.88384 0.59782 0.06960  0.26553  0.03003  615 SER A CB  
6    N N   . LYS A 39  ? 1.02811 0.78085 0.48743 0.08186  0.20163  -0.01087 616 LYS A N   
7    C CA  . LYS A 39  ? 0.92593 0.73058 0.41220 0.10413  0.15972  -0.02833 616 LYS A CA  
8    C C   . LYS A 39  ? 0.84509 0.67613 0.40089 0.10233  0.13168  -0.01920 616 LYS A C   
9    O O   . LYS A 39  ? 0.79111 0.62212 0.40000 0.07878  0.14883  -0.01196 616 LYS A O   
10   C CB  . LYS A 39  ? 0.90729 0.76926 0.47054 0.08788  0.16284  -0.06030 616 LYS A CB  
11   N N   . ASN A 40  ? 0.74578 0.60160 0.30240 0.12758  0.08898  -0.02381 617 ASN A N   
12   C CA  . ASN A 40  ? 0.71032 0.59045 0.32751 0.12568  0.06462  -0.01770 617 ASN A CA  
13   C C   . ASN A 40  ? 0.64059 0.57304 0.36286 0.10269  0.06168  -0.03320 617 ASN A C   
14   O O   . ASN A 40  ? 0.59807 0.56468 0.35409 0.10087  0.05714  -0.05623 617 ASN A O   
15   C CB  . ASN A 40  ? 0.71173 0.60669 0.30670 0.15763  0.02351  -0.02569 617 ASN A CB  
16   C CG  . ASN A 40  ? 0.65819 0.56949 0.30339 0.15514  0.00425  -0.01880 617 ASN A CG  
17   O OD1 . ASN A 40  ? 0.67308 0.63196 0.38912 0.14932  -0.01360 -0.03633 617 ASN A OD1 
18   N ND2 . ASN A 40  ? 0.69860 0.56637 0.30613 0.15787  0.01177  0.00607  617 ASN A ND2 
19   N N   . VAL A 41  ? 0.53685 0.47119 0.30649 0.08706  0.06426  -0.02086 618 VAL A N   
20   C CA  . VAL A 41  ? 0.49142 0.46191 0.34723 0.06968  0.06025  -0.03006 618 VAL A CA  
21   C C   . VAL A 41  ? 0.42970 0.41452 0.31399 0.07419  0.03489  -0.02368 618 VAL A C   
22   O O   . VAL A 41  ? 0.46207 0.42650 0.31978 0.07911  0.03121  -0.00760 618 VAL A O   
23   C CB  . VAL A 41  ? 0.51087 0.47180 0.39633 0.04859  0.08629  -0.02631 618 VAL A CB  
24   C CG1 . VAL A 41  ? 0.49171 0.48325 0.45461 0.03943  0.07339  -0.03273 618 VAL A CG1 
25   C CG2 . VAL A 41  ? 0.58667 0.53922 0.45633 0.03946  0.11695  -0.04023 618 VAL A CG2 
26   N N   . VAL A 42  ? 0.38234 0.39800 0.31967 0.07128  0.02105  -0.03714 619 VAL A N   
27   C CA  . VAL A 42  ? 0.35478 0.38136 0.31858 0.07200  0.00360  -0.03434 619 VAL A CA  
28   C C   . VAL A 42  ? 0.34035 0.36366 0.34320 0.05795  0.00708  -0.02260 619 VAL A C   
29   O O   . VAL A 42  ? 0.29024 0.32021 0.32885 0.05069  0.01197  -0.02887 619 VAL A O   
30   C CB  . VAL A 42  ? 0.33608 0.39009 0.33011 0.07587  -0.00807 -0.05783 619 VAL A CB  
31   C CG1 . VAL A 42  ? 0.34208 0.40228 0.36543 0.07104  -0.01691 -0.05676 619 VAL A CG1 
32   C CG2 . VAL A 42  ? 0.39314 0.45604 0.34735 0.09543  -0.01838 -0.07479 619 VAL A CG2 
33   N N   . ILE A 43  ? 0.30137 0.31447 0.29589 0.05716  0.00212  -0.00778 620 ILE A N   
34   C CA  . ILE A 43  ? 0.33239 0.34154 0.35256 0.04838  0.00143  0.00262  620 ILE A CA  
35   C C   . ILE A 43  ? 0.32036 0.33209 0.35127 0.04765  -0.00951 0.00531  620 ILE A C   
36   O O   . ILE A 43  ? 0.30807 0.32318 0.32378 0.05231  -0.01495 0.00280  620 ILE A O   
37   C CB  . ILE A 43  ? 0.32816 0.32268 0.33021 0.04569  0.00883  0.01421  620 ILE A CB  
38   C CG1 . ILE A 43  ? 0.37306 0.35538 0.35541 0.04316  0.02903  0.01095  620 ILE A CG1 
39   C CG2 . ILE A 43  ? 0.33800 0.33597 0.37064 0.03961  0.00412  0.01789  620 ILE A CG2 
40   C CD1 . ILE A 43  ? 0.33312 0.32866 0.35402 0.03507  0.03844  -0.00292 620 ILE A CD1 
41   N N   . TYR A 44  ? 0.28885 0.29572 0.34317 0.04304  -0.01192 0.00911  621 TYR A N   
42   C CA  . TYR A 44  ? 0.31836 0.31652 0.37420 0.03947  -0.01504 0.01406  621 TYR A CA  
43   C C   . TYR A 44  ? 0.32033 0.30540 0.36879 0.03933  -0.02045 0.02864  621 TYR A C   
44   O O   . TYR A 44  ? 0.30108 0.28366 0.36069 0.04330  -0.02514 0.03016  621 TYR A O   
45   C CB  . TYR A 44  ? 0.32514 0.31576 0.40214 0.03636  -0.01062 0.00661  621 TYR A CB  
46   C CG  . TYR A 44  ? 0.29785 0.26931 0.37087 0.02894  -0.00451 0.01107  621 TYR A CG  
47   C CD1 . TYR A 44  ? 0.28322 0.26700 0.35944 0.02264  0.00152  -0.00181 621 TYR A CD1 
48   C CD2 . TYR A 44  ? 0.36016 0.29842 0.42386 0.02946  -0.00366 0.02578  621 TYR A CD2 
49   C CE1 . TYR A 44  ? 0.32246 0.28727 0.39753 0.01124  0.01479  -0.00160 621 TYR A CE1 
50   C CE2 . TYR A 44  ? 0.37314 0.28270 0.42158 0.02074  0.00893  0.03178  621 TYR A CE2 
51   C CZ  . TYR A 44  ? 0.37415 0.29784 0.43088 0.00876  0.02141  0.01727  621 TYR A CZ  
52   O OH  . TYR A 44  ? 0.40227 0.29622 0.44647 -0.00426 0.04118  0.01952  621 TYR A OH  
53   N N   . ALA A 45  ? 0.31631 0.29695 0.34903 0.03619  -0.02117 0.03466  622 ALA A N   
54   C CA  . ALA A 45  ? 0.32998 0.29775 0.35011 0.03688  -0.02701 0.04606  622 ALA A CA  
55   C C   . ALA A 45  ? 0.34299 0.29457 0.34821 0.02990  -0.01984 0.04942  622 ALA A C   
56   O O   . ALA A 45  ? 0.36134 0.32325 0.37271 0.02340  -0.01177 0.03897  622 ALA A O   
57   C CB  . ALA A 45  ? 0.36437 0.34327 0.37895 0.03744  -0.03026 0.04728  622 ALA A CB  
58   N N   . ASP A 46  ? 0.39880 0.32351 0.38297 0.03220  -0.02185 0.06116  623 ASP A N   
59   C CA  . ASP A 46  ? 0.40798 0.30859 0.36940 0.02238  -0.00746 0.06513  623 ASP A CA  
60   C C   . ASP A 46  ? 0.47356 0.35841 0.39900 0.02702  -0.01457 0.07706  623 ASP A C   
61   O O   . ASP A 46  ? 0.43963 0.33385 0.36333 0.03956  -0.03334 0.07978  623 ASP A O   
62   C CB  . ASP A 46  ? 0.43997 0.30496 0.39684 0.01852  0.00694  0.06822  623 ASP A CB  
63   C CG  . ASP A 46  ? 0.52583 0.35778 0.46245 0.03502  -0.00610 0.08334  623 ASP A CG  
64   O OD1 . ASP A 46  ? 0.56523 0.39546 0.48072 0.04884  -0.02509 0.09173  623 ASP A OD1 
65   O OD2 . ASP A 46  ? 0.52457 0.33194 0.46882 0.03583  0.00169  0.08366  623 ASP A OD2 
66   N N   . GLY A 47  ? 0.47909 0.34272 0.37869 0.01582  0.00238  0.07946  624 GLY A N   
67   C CA  . GLY A 47  ? 0.50746 0.35791 0.36759 0.01904  -0.00207 0.08788  624 GLY A CA  
68   C C   . GLY A 47  ? 0.52606 0.36404 0.36990 0.00011  0.02431  0.08261  624 GLY A C   
69   O O   . GLY A 47  ? 0.46417 0.30618 0.33373 -0.01533 0.04545  0.06944  624 GLY A O   
70   N N   . VAL A 48  ? 0.49453 0.32009 0.29815 0.00149  0.02331  0.08849  625 VAL A N   
71   C CA  . VAL A 48  ? 0.50451 0.31934 0.29104 -0.01816 0.05125  0.08059  625 VAL A CA  
72   C C   . VAL A 48  ? 0.45135 0.31949 0.28406 -0.02555 0.04802  0.05844  625 VAL A C   
73   O O   . VAL A 48  ? 0.44884 0.33036 0.30779 -0.04266 0.06942  0.03881  625 VAL A O   
74   C CB  . VAL A 48  ? 0.53712 0.30924 0.24938 -0.01221 0.05332  0.09647  625 VAL A CB  
75   C CG1 . VAL A 48  ? 0.57889 0.33388 0.26915 -0.03688 0.09080  0.08674  625 VAL A CG1 
76   C CG2 . VAL A 48  ? 0.62744 0.33699 0.28360 0.00343  0.05060  0.12116  625 VAL A CG2 
77   N N   . TYR A 49  ? 0.43840 0.33549 0.28311 -0.01206 0.02215  0.05842  626 TYR A N   
78   C CA  . TYR A 49  ? 0.40099 0.33837 0.28184 -0.01503 0.01746  0.04079  626 TYR A CA  
79   C C   . TYR A 49  ? 0.43933 0.37669 0.30772 -0.02967 0.03644  0.02807  626 TYR A C   
80   O O   . TYR A 49  ? 0.36929 0.33418 0.27449 -0.03736 0.04318  0.00676  626 TYR A O   
81   C CB  . TYR A 49  ? 0.34989 0.31216 0.27744 -0.01494 0.01630  0.02796  626 TYR A CB  
82   C CG  . TYR A 49  ? 0.38156 0.34274 0.31711 -0.00251 0.00159  0.03902  626 TYR A CG  
83   C CD1 . TYR A 49  ? 0.37691 0.35031 0.31956 0.00870  -0.01548 0.04354  626 TYR A CD1 
84   C CD2 . TYR A 49  ? 0.36952 0.31647 0.30864 -0.00412 0.00859  0.04185  626 TYR A CD2 
85   C CE1 . TYR A 49  ? 0.36434 0.33740 0.31683 0.01713  -0.02395 0.04968  626 TYR A CE1 
86   C CE2 . TYR A 49  ? 0.39065 0.33888 0.33956 0.00647  -0.00344 0.04876  626 TYR A CE2 
87   C CZ  . TYR A 49  ? 0.40659 0.36838 0.36141 0.01665  -0.01907 0.05237  626 TYR A CZ  
88   O OH  . TYR A 49  ? 0.36868 0.33259 0.33599 0.02429  -0.02619 0.05525  626 TYR A OH  
89   N N   . ASP A 50  ? 0.46164 0.36664 0.27478 -0.03132 0.04418  0.03937  627 ASP A N   
90   C CA  . ASP A 50  ? 0.44559 0.34867 0.23802 -0.04519 0.06338  0.02735  627 ASP A CA  
91   C C   . ASP A 50  ? 0.47205 0.41209 0.28429 -0.03735 0.04318  0.01612  627 ASP A C   
92   O O   . ASP A 50  ? 0.46019 0.40805 0.27027 -0.02064 0.01745  0.02428  627 ASP A O   
93   C CB  . ASP A 50  ? 0.52162 0.36859 0.23215 -0.04565 0.07763  0.04614  627 ASP A CB  
94   C CG  . ASP A 50  ? 0.58958 0.42065 0.27122 -0.06795 0.11347  0.03327  627 ASP A CG  
95   O OD1 . ASP A 50  ? 0.57534 0.43728 0.31050 -0.08674 0.13278  0.00678  627 ASP A OD1 
96   O OD2 . ASP A 50  ? 0.68572 0.47212 0.28789 -0.06540 0.12261  0.04737  627 ASP A OD2 
97   N N   . MET A 51  ? 0.45279 0.41723 0.29188 -0.05000 0.05621  -0.00699 628 MET A N   
98   C CA  . MET A 51  ? 0.40135 0.39790 0.26378 -0.04463 0.04148  -0.02102 628 MET A CA  
99   C C   . MET A 51  ? 0.38520 0.39948 0.28084 -0.02752 0.01418  -0.01494 628 MET A C   
100  O O   . MET A 51  ? 0.39353 0.41274 0.28163 -0.01774 -0.00212 -0.01168 628 MET A O   
101  C CB  . MET A 51  ? 0.43605 0.42035 0.24615 -0.04410 0.04190  -0.01920 628 MET A CB  
102  C CG  . MET A 51  ? 0.46880 0.42715 0.23465 -0.06342 0.07604  -0.02502 628 MET A CG  
103  S SD  . MET A 51  ? 0.58775 0.53661 0.28835 -0.06051 0.07521  -0.02848 628 MET A SD  
104  C CE  . MET A 51  ? 0.63534 0.55024 0.27310 -0.03223 0.04449  0.00172  628 MET A CE  
105  N N   . LEU A 52  ? 0.33697 0.36051 0.26973 -0.02440 0.01149  -0.01706 629 LEU A N   
106  C CA  . LEU A 52  ? 0.32535 0.35261 0.27740 -0.01045 -0.00640 -0.00730 629 LEU A CA  
107  C C   . LEU A 52  ? 0.32065 0.36052 0.28835 -0.00468 -0.01679 -0.01355 629 LEU A C   
108  O O   . LEU A 52  ? 0.31374 0.36677 0.29961 -0.00744 -0.01367 -0.02971 629 LEU A O   
109  C CB  . LEU A 52  ? 0.28666 0.32165 0.26858 -0.00595 -0.00716 -0.01372 629 LEU A CB  
110  C CG  . LEU A 52  ? 0.34328 0.37237 0.33208 0.00697  -0.01917 -0.00137 629 LEU A CG  
111  C CD1 . LEU A 52  ? 0.34577 0.36171 0.31976 0.00615  -0.01770 0.01239  629 LEU A CD1 
112  C CD2 . LEU A 52  ? 0.28310 0.31938 0.29247 0.01734  -0.02433 -0.01224 629 LEU A CD2 
113  N N   . HIS A 53  ? 0.30138 0.33817 0.26893 0.00279  -0.02756 -0.00470 630 HIS A N   
114  C CA  . HIS A 53  ? 0.31752 0.36572 0.30565 0.00526  -0.03322 -0.01489 630 HIS A CA  
115  C C   . HIS A 53  ? 0.31587 0.35776 0.32499 0.01076  -0.03530 -0.00899 630 HIS A C   
116  O O   . HIS A 53  ? 0.31264 0.34325 0.31675 0.01409  -0.03468 0.00356  630 HIS A O   
117  C CB  . HIS A 53  ? 0.29800 0.35549 0.26701 0.00611  -0.04131 -0.02234 630 HIS A CB  
118  C CG  . HIS A 53  ? 0.38685 0.43383 0.32831 0.01456  -0.05201 -0.01036 630 HIS A CG  
119  N ND1 . HIS A 53  ? 0.34943 0.40164 0.31238 0.02261  -0.06248 -0.01066 630 HIS A ND1 
120  C CD2 . HIS A 53  ? 0.43061 0.45802 0.32347 0.01734  -0.05284 0.00075  630 HIS A CD2 
121  C CE1 . HIS A 53  ? 0.42722 0.46806 0.36015 0.03294  -0.07419 -0.00162 630 HIS A CE1 
122  N NE2 . HIS A 53  ? 0.43062 0.45129 0.31585 0.03079  -0.06840 0.00813  630 HIS A NE2 
123  N N   . LEU A 54  ? 0.30094 0.34937 0.33544 0.00971  -0.03402 -0.02119 631 LEU A N   
124  C CA  . LEU A 54  ? 0.28889 0.32639 0.34487 0.01021  -0.02694 -0.01956 631 LEU A CA  
125  C C   . LEU A 54  ? 0.32043 0.36277 0.37596 0.01295  -0.03322 -0.01559 631 LEU A C   
126  O O   . LEU A 54  ? 0.28886 0.31786 0.35203 0.01265  -0.02434 -0.00909 631 LEU A O   
127  C CB  . LEU A 54  ? 0.30592 0.35065 0.39520 0.00467  -0.01991 -0.03957 631 LEU A CB  
128  C CG  . LEU A 54  ? 0.30939 0.33776 0.42516 -0.00035 -0.00271 -0.04324 631 LEU A CG  
129  C CD1 . LEU A 54  ? 0.29537 0.28183 0.38922 0.00353  0.01143  -0.02275 631 LEU A CD1 
130  C CD2 . LEU A 54  ? 0.28966 0.32818 0.44600 -0.00896 0.00710  -0.06958 631 LEU A CD2 
131  N N   . GLY A 55  ? 0.30241 0.36055 0.34551 0.01757  -0.04856 -0.02037 632 GLY A N   
132  C CA  . GLY A 55  ? 0.31004 0.37119 0.35287 0.02509  -0.05904 -0.01816 632 GLY A CA  
133  C C   . GLY A 55  ? 0.34836 0.38963 0.37287 0.02619  -0.05426 0.00254  632 GLY A C   
134  O O   . GLY A 55  ? 0.33413 0.37368 0.37474 0.02760  -0.05177 0.00336  632 GLY A O   
135  N N   . HIS A 56  ? 0.33667 0.36563 0.33218 0.02428  -0.05108 0.01477  633 HIS A N   
136  C CA  . HIS A 56  ? 0.32216 0.33682 0.30792 0.02425  -0.04534 0.02815  633 HIS A CA  
137  C C   . HIS A 56  ? 0.32740 0.33690 0.32991 0.02360  -0.03576 0.02925  633 HIS A C   
138  O O   . HIS A 56  ? 0.31558 0.31883 0.31998 0.02592  -0.03326 0.03477  633 HIS A O   
139  C CB  . HIS A 56  ? 0.32297 0.33109 0.28850 0.01910  -0.03892 0.03129  633 HIS A CB  
140  C CG  . HIS A 56  ? 0.37583 0.37463 0.30904 0.01783  -0.04029 0.03425  633 HIS A CG  
141  N ND1 . HIS A 56  ? 0.38968 0.39116 0.30863 0.01100  -0.03408 0.02679  633 HIS A ND1 
142  C CD2 . HIS A 56  ? 0.44624 0.42570 0.35133 0.02351  -0.04492 0.04479  633 HIS A CD2 
143  C CE1 . HIS A 56  ? 0.45710 0.43839 0.33378 0.01158  -0.03264 0.03400  633 HIS A CE1 
144  N NE2 . HIS A 56  ? 0.47863 0.44309 0.34394 0.02070  -0.04021 0.04641  633 HIS A NE2 
145  N N   . MET A 57  ? 0.28934 0.29641 0.29815 0.02198  -0.02969 0.02434  634 MET A N   
146  C CA  . MET A 57  ? 0.27504 0.26351 0.28226 0.02570  -0.02031 0.02897  634 MET A CA  
147  C C   . MET A 57  ? 0.30749 0.28683 0.32581 0.02278  -0.00952 0.02917  634 MET A C   
148  O O   . MET A 57  ? 0.31442 0.27540 0.31866 0.02632  -0.00134 0.03721  634 MET A O   
149  C CB  . MET A 57  ? 0.30849 0.28874 0.31890 0.02703  -0.01647 0.02331  634 MET A CB  
150  C CG  . MET A 57  ? 0.31704 0.31002 0.32401 0.02902  -0.02457 0.01698  634 MET A CG  
151  S SD  . MET A 57  ? 0.30897 0.29639 0.32846 0.03146  -0.02216 0.00544  634 MET A SD  
152  C CE  . MET A 57  ? 0.29920 0.31399 0.32332 0.02775  -0.02865 -0.00910 634 MET A CE  
153  N N   . LYS A 58  ? 0.29592 0.28899 0.34101 0.01629  -0.00782 0.01602  635 LYS A N   
154  C CA  . LYS A 58  ? 0.30435 0.29491 0.37261 0.01022  0.00622  0.00768  635 LYS A CA  
155  C C   . LYS A 58  ? 0.33043 0.33019 0.39986 0.01374  -0.00062 0.01018  635 LYS A C   
156  O O   . LYS A 58  ? 0.31734 0.30870 0.39669 0.00909  0.01513  0.00700  635 LYS A O   
157  C CB  . LYS A 58  ? 0.32743 0.34113 0.43652 0.00359  0.00640  -0.01678 635 LYS A CB  
158  C CG  . LYS A 58  ? 0.33746 0.33772 0.45634 -0.00350 0.02145  -0.02398 635 LYS A CG  
159  C CD  . LYS A 58  ? 0.36712 0.39788 0.53581 -0.01079 0.02134  -0.05590 635 LYS A CD  
160  C CE  . LYS A 58  ? 0.40542 0.43885 0.61589 -0.02207 0.04294  -0.07584 635 LYS A CE  
161  N NZ  . LYS A 58  ? 0.48584 0.55266 0.75636 -0.03015 0.04539  -0.11548 635 LYS A NZ  
162  N N   . GLN A 59  ? 0.28663 0.29979 0.34574 0.02106  -0.02088 0.01444  636 GLN A N   
163  C CA  . GLN A 59  ? 0.32807 0.34438 0.38835 0.02605  -0.02747 0.01725  636 GLN A CA  
164  C C   . GLN A 59  ? 0.32607 0.32516 0.36456 0.02652  -0.01854 0.03067  636 GLN A C   
165  O O   . GLN A 59  ? 0.33303 0.33088 0.37890 0.02656  -0.01275 0.02909  636 GLN A O   
166  C CB  . GLN A 59  ? 0.39860 0.42055 0.44438 0.03511  -0.04841 0.02068  636 GLN A CB  
167  C CG  . GLN A 59  ? 0.49652 0.53570 0.56523 0.04449  -0.06463 0.00493  636 GLN A CG  
168  C CD  . GLN A 59  ? 0.55342 0.58046 0.59252 0.05872  -0.08395 0.01513  636 GLN A CD  
169  O OE1 . GLN A 59  ? 0.58787 0.61688 0.63952 0.07007  -0.09582 0.00963  636 GLN A OE1 
170  N NE2 . GLN A 59  ? 0.52478 0.53475 0.52322 0.05818  -0.08467 0.02909  636 GLN A NE2 
171  N N   . LEU A 60  ? 0.33069 0.32010 0.34555 0.02821  -0.01858 0.03929  637 LEU A N   
172  C CA  . LEU A 60  ? 0.33835 0.31597 0.33377 0.03290  -0.01429 0.04573  637 LEU A CA  
173  C C   . LEU A 60  ? 0.37229 0.32925 0.35695 0.03313  0.00225  0.04749  637 LEU A C   
174  O O   . LEU A 60  ? 0.38178 0.33118 0.35387 0.03634  0.00782  0.04942  637 LEU A O   
175  C CB  . LEU A 60  ? 0.33444 0.31221 0.31575 0.03733  -0.02084 0.04643  637 LEU A CB  
176  C CG  . LEU A 60  ? 0.31815 0.30822 0.30341 0.03334  -0.02815 0.04436  637 LEU A CG  
177  C CD1 . LEU A 60  ? 0.34351 0.33881 0.32568 0.03383  -0.02990 0.03753  637 LEU A CD1 
178  C CD2 . LEU A 60  ? 0.30744 0.29811 0.29411 0.03397  -0.02829 0.04484  637 LEU A CD2 
179  N N   . GLU A 61  ? 0.33988 0.28277 0.32544 0.02923  0.01327  0.04637  638 GLU A N   
180  C CA  . GLU A 61  ? 0.34550 0.25602 0.31467 0.02644  0.03731  0.04936  638 GLU A CA  
181  C C   . GLU A 61  ? 0.37866 0.29668 0.36958 0.01659  0.05153  0.04026  638 GLU A C   
182  O O   . GLU A 61  ? 0.39805 0.29174 0.36354 0.01641  0.06958  0.04452  638 GLU A O   
183  C CB  . GLU A 61  ? 0.38609 0.27957 0.36427 0.01943  0.05152  0.04562  638 GLU A CB  
184  C CG  . GLU A 61  ? 0.42877 0.27618 0.38566 0.01311  0.08518  0.04950  638 GLU A CG  
185  C CD  . GLU A 61  ? 0.49716 0.32481 0.47156 0.00249  0.10501  0.04220  638 GLU A CD  
186  O OE1 . GLU A 61  ? 0.44843 0.31131 0.46541 -0.00285 0.09218  0.02730  638 GLU A OE1 
187  O OE2 . GLU A 61  ? 0.47837 0.25093 0.41986 -0.00010 0.13517  0.05095  638 GLU A OE2 
188  N N   . GLN A 62  ? 0.32839 0.27922 0.36460 0.01020  0.04320  0.02515  639 GLN A N   
189  C CA  . GLN A 62  ? 0.36979 0.33383 0.43848 0.00246  0.05452  0.00933  639 GLN A CA  
190  C C   . GLN A 62  ? 0.36077 0.32716 0.41491 0.00910  0.04840  0.01528  639 GLN A C   
191  O O   . GLN A 62  ? 0.37755 0.33622 0.43318 0.00301  0.06843  0.00874  639 GLN A O   
192  C CB  . GLN A 62  ? 0.35764 0.35902 0.47697 0.00209  0.03769  -0.01163 639 GLN A CB  
193  C CG  . GLN A 62  ? 0.44693 0.46978 0.61203 -0.00267 0.04461  -0.03574 639 GLN A CG  
194  C CD  . GLN A 62  ? 0.47506 0.53600 0.69287 0.00167  0.02525  -0.06361 639 GLN A CD  
195  O OE1 . GLN A 62  ? 0.47877 0.54808 0.69130 0.00842  0.00630  -0.06219 639 GLN A OE1 
196  N NE2 . GLN A 62  ? 0.45469 0.54115 0.72445 -0.00047 0.02874  -0.09302 639 GLN A NE2 
197  N N   . ALA A 63  ? 0.35126 0.32685 0.39223 0.01966  0.02467  0.02518  640 ALA A N   
198  C CA  . ALA A 63  ? 0.32554 0.30340 0.35672 0.02524  0.01995  0.02787  640 ALA A CA  
199  C C   . ALA A 63  ? 0.37883 0.33265 0.36855 0.02857  0.03409  0.03503  640 ALA A C   
200  O O   . ALA A 63  ? 0.39477 0.34698 0.38020 0.02792  0.04409  0.02985  640 ALA A O   
201  C CB  . ALA A 63  ? 0.30547 0.29208 0.33201 0.03245  -0.00142 0.03448  640 ALA A CB  
202  N N   . LYS A 64  ? 0.35115 0.28481 0.30672 0.03503  0.03327  0.04552  641 LYS A N   
203  C CA  . LYS A 64  ? 0.38942 0.29357 0.29339 0.04577  0.04117  0.05298  641 LYS A CA  
204  C C   . LYS A 64  ? 0.43911 0.31324 0.32371 0.03712  0.07294  0.05303  641 LYS A C   
205  O O   . LYS A 64  ? 0.46572 0.32013 0.30828 0.04469  0.08147  0.05559  641 LYS A O   
206  C CB  . LYS A 64  ? 0.41462 0.29948 0.28907 0.05777  0.03202  0.06211  641 LYS A CB  
207  C CG  . LYS A 64  ? 0.46942 0.31382 0.27934 0.07646  0.03551  0.07125  641 LYS A CG  
208  C CD  . LYS A 64  ? 0.49544 0.35565 0.28706 0.09254  0.01796  0.06369  641 LYS A CD  
209  C CE  . LYS A 64  ? 0.56973 0.38948 0.28858 0.11928  0.01301  0.07079  641 LYS A CE  
210  N NZ  . LYS A 64  ? 0.53808 0.37240 0.23470 0.13504  -0.00020 0.05887  641 LYS A NZ  
211  N N   . LYS A 65  ? 0.26479 0.35261 0.40618 0.00334  0.05030  0.03632  642 LYS A N   
212  C CA  . LYS A 65  ? 0.26631 0.35981 0.43383 0.00512  0.07436  0.04716  642 LYS A CA  
213  C C   . LYS A 65  ? 0.27857 0.38828 0.47447 0.01104  0.08284  0.04695  642 LYS A C   
214  O O   . LYS A 65  ? 0.28008 0.40067 0.51377 0.01010  0.10255  0.05488  642 LYS A O   
215  C CB  . LYS A 65  ? 0.26770 0.36504 0.47489 -0.00812 0.07665  0.04938  642 LYS A CB  
216  C CG  . LYS A 65  ? 0.26773 0.34643 0.44986 -0.01144 0.07310  0.05151  642 LYS A CG  
217  C CD  . LYS A 65  ? 0.28930 0.36567 0.51135 -0.02429 0.08030  0.05330  642 LYS A CD  
218  C CE  . LYS A 65  ? 0.32401 0.37852 0.52165 -0.02375 0.08234  0.05875  642 LYS A CE  
219  N NZ  . LYS A 65  ? 0.34990 0.39659 0.58667 -0.03759 0.08847  0.05685  642 LYS A NZ  
220  N N   . LEU A 66  ? 0.28602 0.39672 0.46773 0.01783  0.07097  0.03914  643 LEU A N   
221  C CA  . LEU A 66  ? 0.26275 0.38730 0.47193 0.02675  0.08110  0.04013  643 LEU A CA  
222  C C   . LEU A 66  ? 0.30479 0.42244 0.50241 0.03730  0.11253  0.04875  643 LEU A C   
223  O O   . LEU A 66  ? 0.27163 0.40489 0.50915 0.04209  0.13047  0.05393  643 LEU A O   
224  C CB  . LEU A 66  ? 0.25483 0.37366 0.44386 0.03430  0.06602  0.03181  643 LEU A CB  
225  C CG  . LEU A 66  ? 0.26773 0.39748 0.47476 0.02829  0.03857  0.02625  643 LEU A CG  
226  C CD1 . LEU A 66  ? 0.27427 0.38915 0.45104 0.03642  0.02841  0.02113  643 LEU A CD1 
227  C CD2 . LEU A 66  ? 0.21938 0.37974 0.48744 0.02774  0.03568  0.02894  643 LEU A CD2 
228  N N   . PHE A 67  ? 0.29315 0.38889 0.43642 0.04204  0.11967  0.05049  644 PHE A N   
229  C CA  . PHE A 67  ? 0.35516 0.44073 0.47408 0.05340  0.14928  0.05896  644 PHE A CA  
230  C C   . PHE A 67  ? 0.37592 0.44707 0.45969 0.05209  0.15415  0.06852  644 PHE A C   
231  O O   . PHE A 67  ? 0.37734 0.44528 0.45365 0.04367  0.13398  0.06634  644 PHE A O   
232  C CB  . PHE A 67  ? 0.35906 0.43013 0.43505 0.06636  0.15268  0.04897  644 PHE A CB  
233  C CG  . PHE A 67  ? 0.33489 0.41645 0.44485 0.07082  0.15000  0.04187  644 PHE A CG  
234  C CD1 . PHE A 67  ? 0.38279 0.47536 0.52682 0.08018  0.17582  0.04757  644 PHE A CD1 
235  C CD2 . PHE A 67  ? 0.35007 0.43060 0.46020 0.06696  0.12343  0.03158  644 PHE A CD2 
236  C CE1 . PHE A 67  ? 0.38681 0.49066 0.56602 0.08687  0.17306  0.04304  644 PHE A CE1 
237  C CE2 . PHE A 67  ? 0.33231 0.42097 0.47271 0.07377  0.12116  0.02827  644 PHE A CE2 
238  C CZ  . PHE A 67  ? 0.36460 0.46588 0.54071 0.08427  0.14485  0.03403  644 PHE A CZ  
239  N N   . GLU A 68  ? 0.42974 0.49105 0.48948 0.06252  0.18255  0.08040  645 GLU A N   
240  C CA  . GLU A 68  ? 0.43954 0.48749 0.46931 0.06412  0.19031  0.09468  645 GLU A CA  
241  C C   . GLU A 68  ? 0.47184 0.50753 0.44367 0.06747  0.16635  0.08733  645 GLU A C   
242  O O   . GLU A 68  ? 0.51236 0.54427 0.47858 0.06340  0.15588  0.09403  645 GLU A O   
243  C CB  . GLU A 68  ? 0.52255 0.56077 0.53218 0.07714  0.22784  0.11089  645 GLU A CB  
244  C CG  . GLU A 68  ? 0.62389 0.64678 0.60422 0.08129  0.23931  0.13084  645 GLU A CG  
245  C CD  . GLU A 68  ? 0.74086 0.74578 0.67768 0.09615  0.26183  0.14107  645 GLU A CD  
246  O OE1 . GLU A 68  ? 0.78875 0.79280 0.71463 0.10344  0.27274  0.13265  645 GLU A OE1 
247  O OE2 . GLU A 68  ? 0.80959 0.79983 0.72357 0.10100  0.26663  0.15664  645 GLU A OE2 
248  N N   . ASN A 69  ? 0.49220 0.52185 0.42458 0.07467  0.15789  0.07287  646 ASN A N   
249  C CA  . ASN A 69  ? 0.51954 0.54085 0.40127 0.07688  0.13475  0.06338  646 ASN A CA  
250  C C   . ASN A 69  ? 0.44751 0.47159 0.33816 0.06979  0.11227  0.04258  646 ASN A C   
251  O O   . ASN A 69  ? 0.43577 0.45451 0.31859 0.07492  0.11894  0.03147  646 ASN A O   
252  C CB  . ASN A 69  ? 0.56209 0.56945 0.37897 0.09225  0.14658  0.06406  646 ASN A CB  
253  C CG  . ASN A 69  ? 0.69575 0.69679 0.49215 0.10154  0.16675  0.08803  646 ASN A CG  
254  O OD1 . ASN A 69  ? 0.79206 0.78346 0.56143 0.11391  0.19466  0.09700  646 ASN A OD1 
255  N ND2 . ASN A 69  ? 0.67770 0.68179 0.48656 0.09676  0.15538  0.09977  646 ASN A ND2 
256  N N   . THR A 70  ? 0.42561 0.45535 0.33197 0.05904  0.08857  0.03823  647 THR A N   
257  C CA  . THR A 70  ? 0.38178 0.41241 0.29928 0.05173  0.06948  0.02214  647 THR A CA  
258  C C   . THR A 70  ? 0.43241 0.46160 0.32921 0.04636  0.04645  0.01460  647 THR A C   
259  O O   . THR A 70  ? 0.42132 0.45371 0.30995 0.04646  0.04159  0.02349  647 THR A O   
260  C CB  . THR A 70  ? 0.38406 0.42597 0.35307 0.04257  0.06477  0.02422  647 THR A CB  
261  O OG1 . THR A 70  ? 0.36294 0.40956 0.34554 0.03469  0.05656  0.03143  647 THR A OG1 
262  C CG2 . THR A 70  ? 0.36199 0.41244 0.36491 0.04634  0.08523  0.03195  647 THR A CG2 
263  N N   . THR A 71  ? 0.37344 0.39776 0.26689 0.04200  0.03384  -0.00098 648 THR A N   
264  C CA  . THR A 71  ? 0.35516 0.38114 0.24894 0.03311  0.01318  -0.00883 648 THR A CA  
265  C C   . THR A 71  ? 0.36637 0.39291 0.29344 0.02543  0.00840  -0.01080 648 THR A C   
266  O O   . THR A 71  ? 0.33827 0.35807 0.27223 0.02759  0.01330  -0.01625 648 THR A O   
267  C CB  . THR A 71  ? 0.40990 0.42770 0.27234 0.03322  0.00375  -0.02584 648 THR A CB  
268  O OG1 . THR A 71  ? 0.48436 0.50349 0.30913 0.04173  0.00442  -0.02419 648 THR A OG1 
269  C CG2 . THR A 71  ? 0.42185 0.44315 0.29527 0.02232  -0.01492 -0.03406 648 THR A CG2 
270  N N   . LEU A 72  ? 0.32402 0.35731 0.26950 0.01823  -0.00024 -0.00573 649 LEU A N   
271  C CA  . LEU A 72  ? 0.27261 0.30576 0.24133 0.01195  -0.00627 -0.00719 649 LEU A CA  
272  C C   . LEU A 72  ? 0.32872 0.35577 0.29017 0.00544  -0.01773 -0.01579 649 LEU A C   
273  O O   . LEU A 72  ? 0.30653 0.33825 0.26588 0.00141  -0.02429 -0.01528 649 LEU A O   
274  C CB  . LEU A 72  ? 0.29840 0.34002 0.29009 0.00754  -0.00682 0.00124  649 LEU A CB  
275  C CG  . LEU A 72  ? 0.29258 0.33437 0.30038 0.00191  -0.01560 -0.00118 649 LEU A CG  
276  C CD1 . LEU A 72  ? 0.26168 0.30336 0.27919 0.00681  -0.01444 -0.00222 649 LEU A CD1 
277  C CD2 . LEU A 72  ? 0.26236 0.31097 0.28977 -0.00365 -0.01701 0.00292  649 LEU A CD2 
278  N N   . ILE A 73  ? 0.31076 0.32690 0.27169 0.00511  -0.01806 -0.02259 650 ILE A N   
279  C CA  . ILE A 73  ? 0.29711 0.30438 0.25717 -0.00204 -0.02474 -0.02916 650 ILE A CA  
280  C C   . ILE A 73  ? 0.30328 0.30827 0.27663 -0.00370 -0.02650 -0.02249 650 ILE A C   
281  O O   . ILE A 73  ? 0.33227 0.33703 0.31385 0.00215  -0.02398 -0.01775 650 ILE A O   
282  C CB  . ILE A 73  ? 0.34885 0.34004 0.29866 -0.00130 -0.02159 -0.04054 650 ILE A CB  
283  C CG1 . ILE A 73  ? 0.36403 0.35700 0.29306 0.00152  -0.02119 -0.04957 650 ILE A CG1 
284  C CG2 . ILE A 73  ? 0.36510 0.34577 0.31948 -0.01058 -0.02562 -0.04656 650 ILE A CG2 
285  C CD1 . ILE A 73  ? 0.40457 0.37844 0.32127 0.00110  -0.01788 -0.06534 650 ILE A CD1 
286  N N   . VAL A 74  ? 0.29079 0.29551 0.26588 -0.01050 -0.03090 -0.02190 651 VAL A N   
287  C CA  . VAL A 74  ? 0.29556 0.29631 0.27403 -0.01144 -0.03278 -0.01623 651 VAL A CA  
288  C C   . VAL A 74  ? 0.32616 0.31106 0.29951 -0.01549 -0.03023 -0.01803 651 VAL A C   
289  O O   . VAL A 74  ? 0.35535 0.34003 0.33071 -0.02239 -0.02923 -0.02332 651 VAL A O   
290  C CB  . VAL A 74  ? 0.30060 0.31081 0.28299 -0.01507 -0.03560 -0.01348 651 VAL A CB  
291  C CG1 . VAL A 74  ? 0.34533 0.34903 0.32262 -0.01588 -0.03832 -0.01041 651 VAL A CG1 
292  C CG2 . VAL A 74  ? 0.30184 0.32410 0.29357 -0.01211 -0.03515 -0.01062 651 VAL A CG2 
293  N N   . GLY A 75  ? 0.33063 0.30297 0.30024 -0.01066 -0.02862 -0.01263 652 GLY A N   
294  C CA  . GLY A 75  ? 0.33558 0.28827 0.29970 -0.01343 -0.02248 -0.01068 652 GLY A CA  
295  C C   . GLY A 75  ? 0.34243 0.29274 0.29595 -0.01337 -0.02327 -0.00264 652 GLY A C   
296  O O   . GLY A 75  ? 0.35693 0.31465 0.30501 -0.00747 -0.03076 0.00227  652 GLY A O   
297  N N   . VAL A 76  ? 0.34847 0.28885 0.29971 -0.02025 -0.01511 -0.00248 653 VAL A N   
298  C CA  . VAL A 76  ? 0.35330 0.28839 0.28926 -0.02020 -0.01176 0.00396  653 VAL A CA  
299  C C   . VAL A 76  ? 0.38048 0.29012 0.30530 -0.01853 0.00043  0.01318  653 VAL A C   
300  O O   . VAL A 76  ? 0.38907 0.28873 0.32812 -0.02607 0.01124  0.01026  653 VAL A O   
301  C CB  . VAL A 76  ? 0.34668 0.29255 0.29178 -0.02835 -0.00782 -0.00183 653 VAL A CB  
302  C CG1 . VAL A 76  ? 0.36879 0.30692 0.29350 -0.02688 -0.00209 0.00300  653 VAL A CG1 
303  C CG2 . VAL A 76  ? 0.36511 0.33236 0.32255 -0.02879 -0.01756 -0.00849 653 VAL A CG2 
304  N N   . THR A 77  ? 0.41210 0.31117 0.31196 -0.00883 -0.00141 0.02445  654 THR A N   
305  C CA  . THR A 77  ? 0.43761 0.30895 0.32281 -0.00345 0.01099  0.03771  654 THR A CA  
306  C C   . THR A 77  ? 0.47142 0.32841 0.35003 -0.01078 0.02972  0.04141  654 THR A C   
307  O O   . THR A 77  ? 0.44539 0.31278 0.31852 -0.01500 0.03088  0.03682  654 THR A O   
308  C CB  . THR A 77  ? 0.46023 0.32720 0.31711 0.01192  0.00075  0.05059  654 THR A CB  
309  O OG1 . THR A 77  ? 0.45209 0.33181 0.28849 0.01208  -0.00857 0.04738  654 THR A OG1 
310  C CG2 . THR A 77  ? 0.49470 0.37533 0.36746 0.02012  -0.01371 0.04916  654 THR A CG2 
311  N N   . SER A 78  ? 0.44688 0.27787 0.32833 -0.01195 0.04719  0.05022  655 SER A N   
312  C CA  . SER A 78  ? 0.49979 0.31684 0.38323 -0.02021 0.06954  0.05463  655 SER A CA  
313  C C   . SER A 78  ? 0.51219 0.31564 0.35127 -0.00995 0.07681  0.06919  655 SER A C   
314  O O   . SER A 78  ? 0.52222 0.32070 0.32784 0.00446  0.06475  0.07876  655 SER A O   
315  C CB  . SER A 78  ? 0.52205 0.31220 0.42455 -0.02572 0.08835  0.06003  655 SER A CB  
316  O OG  . SER A 78  ? 0.56944 0.33174 0.44334 -0.01077 0.09292  0.07894  655 SER A OG  
317  N N   . ASP A 79  ? 0.54750 0.34626 0.38654 -0.01689 0.09663  0.07027  656 ASP A N   
318  C CA  . ASP A 79  ? 0.59433 0.37529 0.38511 -0.00702 0.10860  0.08361  656 ASP A CA  
319  C C   . ASP A 79  ? 0.63098 0.37926 0.38832 0.00628  0.11749  0.10605  656 ASP A C   
320  O O   . ASP A 79  ? 0.68731 0.42852 0.39539 0.02187  0.10705  0.11628  656 ASP A O   
321  C CB  . ASP A 79  ? 0.62235 0.39882 0.42475 -0.01641 0.13658  0.08350  656 ASP A CB  
322  C CG  . ASP A 79  ? 0.60045 0.40689 0.42631 -0.02428 0.12927  0.06518  656 ASP A CG  
323  O OD1 . ASP A 79  ? 0.56602 0.39363 0.39482 -0.02282 0.10356  0.05346  656 ASP A OD1 
324  O OD2 . ASP A 79  ? 0.64826 0.45601 0.49108 -0.03093 0.15146  0.06410  656 ASP A OD2 
325  N N   . ASN A 80  ? 0.63898 0.36601 0.42261 0.00058  0.13691  0.11411  657 ASN A N   
326  C CA  . ASN A 80  ? 0.69845 0.38772 0.45132 0.01382  0.15258  0.13934  657 ASN A CA  
327  C C   . ASN A 80  ? 0.70146 0.39133 0.43266 0.03157  0.12734  0.14672  657 ASN A C   
328  O O   . ASN A 80  ? 0.74500 0.41796 0.42748 0.05037  0.12556  0.16680  657 ASN A O   
329  C CB  . ASN A 80  ? 0.73769 0.40272 0.53248 0.00146  0.17921  0.14351  657 ASN A CB  
330  C CG  . ASN A 80  ? 0.82831 0.49318 0.64114 -0.00946 0.20618  0.14247  657 ASN A CG  
331  O OD1 . ASN A 80  ? 0.89698 0.57365 0.69054 -0.00914 0.20997  0.13999  657 ASN A OD1 
332  N ND2 . ASN A 80  ? 0.92269 0.57479 0.77441 -0.01850 0.22512  0.14295  657 ASN A ND2 
333  N N   . GLU A 81  ? 0.64926 0.35928 0.41700 0.02703  0.10818  0.13140  658 GLU A N   
334  C CA  . GLU A 81  ? 0.67066 0.38287 0.42849 0.04400  0.08757  0.13869  658 GLU A CA  
335  C C   . GLU A 81  ? 0.69875 0.43673 0.42309 0.05554  0.06009  0.13710  658 GLU A C   
336  O O   . GLU A 81  ? 0.75051 0.48426 0.44620 0.07490  0.04702  0.15279  658 GLU A O   
337  C CB  . GLU A 81  ? 0.65385 0.37950 0.45883 0.03586  0.07862  0.12154  658 GLU A CB  
338  C CG  . GLU A 81  ? 0.64352 0.33586 0.47444 0.03004  0.10214  0.12568  658 GLU A CG  
339  C CD  . GLU A 81  ? 0.62987 0.33493 0.50391 0.01758  0.09579  0.10259  658 GLU A CD  
340  O OE1 . GLU A 81  ? 0.61389 0.35120 0.50331 0.00570  0.08289  0.08283  658 GLU A OE1 
341  O OE2 . GLU A 81  ? 0.63326 0.31396 0.52272 0.02104  0.10434  0.10467  658 GLU A OE2 
342  N N   . THR A 82  ? 0.62940 0.39434 0.35903 0.04416  0.05040  0.11808  659 THR A N   
343  C CA  . THR A 82  ? 0.68270 0.46936 0.38258 0.05197  0.02575  0.11325  659 THR A CA  
344  C C   . THR A 82  ? 0.70038 0.46570 0.33958 0.06627  0.03054  0.13103  659 THR A C   
345  O O   . THR A 82  ? 0.72664 0.49851 0.33468 0.08225  0.00842  0.13878  659 THR A O   
346  C CB  . THR A 82  ? 0.62124 0.43212 0.33712 0.03660  0.02116  0.09075  659 THR A CB  
347  O OG1 . THR A 82  ? 0.55889 0.38808 0.32530 0.02513  0.01740  0.07660  659 THR A OG1 
348  C CG2 . THR A 82  ? 0.65298 0.48434 0.34369 0.04216  -0.00442 0.08233  659 THR A CG2 
349  N N   . LYS A 83  ? 0.70204 0.44236 0.32400 0.06141  0.05980  0.13825  660 LYS A N   
350  C CA  . LYS A 83  ? 0.76469 0.48823 0.33325 0.07348  0.06756  0.15214  660 LYS A CA  
351  C C   . LYS A 83  ? 0.83368 0.54564 0.39350 0.09000  0.06417  0.17297  660 LYS A C   
352  O O   . LYS A 83  ? 0.84245 0.56007 0.36566 0.10316  0.04955  0.17957  660 LYS A O   
353  C CB  . LYS A 83  ? 0.75489 0.46007 0.32556 0.06284  0.10316  0.15323  660 LYS A CB  
354  N N   . LEU A 84  ? 0.80666 0.50219 0.40099 0.08914  0.07715  0.18248  661 LEU A N   
355  C CA  . LEU A 84  ? 0.84909 0.52937 0.43829 0.10490  0.07846  0.20284  661 LEU A CA  
356  C C   . LEU A 84  ? 0.82376 0.52775 0.41090 0.12030  0.04375  0.20491  661 LEU A C   
357  O O   . LEU A 84  ? 0.83077 0.53560 0.39195 0.13627  0.03287  0.21924  661 LEU A O   
358  C CB  . LEU A 84  ? 0.84105 0.49562 0.47276 0.09746  0.10397  0.20820  661 LEU A CB  
359  C CG  . LEU A 84  ? 0.92216 0.55789 0.55651 0.11325  0.10733  0.22770  661 LEU A CG  
360  C CD1 . LEU A 84  ? 0.95982 0.57902 0.55211 0.12520  0.11882  0.24664  661 LEU A CD1 
361  C CD2 . LEU A 84  ? 0.93362 0.54587 0.61589 0.10190  0.13085  0.22522  661 LEU A CD2 
362  N N   . PHE A 85  ? 0.81207 0.53705 0.42852 0.11586  0.02612  0.19094  662 PHE A N   
363  C CA  . PHE A 85  ? 0.80519 0.55510 0.43665 0.12927  -0.00321 0.19213  662 PHE A CA  
364  C C   . PHE A 85  ? 0.80855 0.59773 0.42764 0.12935  -0.03631 0.17726  662 PHE A C   
365  O O   . PHE A 85  ? 0.85863 0.67340 0.48944 0.14059  -0.06204 0.17967  662 PHE A O   
366  C CB  . PHE A 85  ? 0.77855 0.52736 0.45662 0.12566  -0.00036 0.18553  662 PHE A CB  
367  C CG  . PHE A 85  ? 0.76384 0.47610 0.46390 0.12444  0.02889  0.19601  662 PHE A CG  
368  C CD1 . PHE A 85  ? 0.87857 0.57244 0.57006 0.13800  0.03704  0.21560  662 PHE A CD1 
369  C CD2 . PHE A 85  ? 0.78195 0.48499 0.51917 0.10553  0.04621  0.18028  662 PHE A CD2 
370  C CE1 . PHE A 85  ? 0.91863 0.57851 0.63359 0.13505  0.06426  0.22205  662 PHE A CE1 
371  C CE2 . PHE A 85  ? 0.77560 0.44169 0.53347 0.10281  0.07270  0.18734  662 PHE A CE2 
372  C CZ  . PHE A 85  ? 0.82634 0.47281 0.57573 0.11660  0.08174  0.20650  662 PHE A CZ  
373  N N   . LYS A 86  ? 0.82030 0.61580 0.42214 0.11587  -0.03558 0.16062  663 LYS A N   
374  C CA  . LYS A 86  ? 0.83393 0.66604 0.43531 0.11158  -0.06551 0.14111  663 LYS A CA  
375  C C   . LYS A 86  ? 0.84439 0.67615 0.40287 0.10645  -0.06507 0.13263  663 LYS A C   
376  O O   . LYS A 86  ? 0.91636 0.76948 0.45768 0.11103  -0.08855 0.12840  663 LYS A O   
377  C CB  . LYS A 86  ? 0.76370 0.61162 0.40488 0.09663  -0.06846 0.12076  663 LYS A CB  
378  C CG  . LYS A 86  ? 0.79780 0.68565 0.45677 0.09297  -0.10020 0.10212  663 LYS A CG  
379  C CD  . LYS A 86  ? 0.75294 0.66062 0.46942 0.07593  -0.09688 0.08371  663 LYS A CD  
380  C CE  . LYS A 86  ? 0.85290 0.79775 0.59274 0.07106  -0.12405 0.06677  663 LYS A CE  
381  N NZ  . LYS A 86  ? 0.87950 0.82706 0.58458 0.06435  -0.13445 0.05258  663 LYS A NZ  
382  N N   . GLY A 87  ? 0.80379 0.61176 0.34684 0.09681  -0.03769 0.12975  664 GLY A N   
383  C CA  . GLY A 87  ? 0.86382 0.66913 0.36822 0.09257  -0.03311 0.12010  664 GLY A CA  
384  C C   . GLY A 87  ? 0.85300 0.64077 0.36066 0.07887  -0.00435 0.11154  664 GLY A C   
385  O O   . GLY A 87  ? 0.86770 0.65009 0.40833 0.07021  0.00731  0.11024  664 GLY A O   
386  N N   . GLN A 88  ? 0.86874 0.64789 0.34220 0.07704  0.00774  0.10566  665 GLN A N   
387  C CA  . GLN A 88  ? 0.89742 0.66141 0.37735 0.06535  0.03831  0.09897  665 GLN A CA  
388  C C   . GLN A 88  ? 0.88168 0.66307 0.38694 0.05226  0.02807  0.07602  665 GLN A C   
389  O O   . GLN A 88  ? 0.90365 0.70604 0.40502 0.05110  0.00088  0.05904  665 GLN A O   
390  C CB  . GLN A 88  ? 0.97059 0.72093 0.40869 0.06861  0.05496  0.09798  665 GLN A CB  
391  N N   . VAL A 89  ? 0.89618 0.67680 0.44477 0.03998  0.04848  0.07342  666 VAL A N   
392  C CA  . VAL A 89  ? 0.71343 0.51935 0.30834 0.02607  0.04041  0.05149  666 VAL A CA  
393  C C   . VAL A 89  ? 0.71896 0.51600 0.29656 0.02160  0.06017  0.04034  666 VAL A C   
394  O O   . VAL A 89  ? 0.75420 0.52828 0.30859 0.02454  0.08956  0.05104  666 VAL A O   
395  C CB  . VAL A 89  ? 0.73540 0.55291 0.39445 0.01576  0.04765  0.05269  666 VAL A CB  
396  C CG1 . VAL A 89  ? 0.69646 0.50174 0.37487 0.00794  0.08130  0.05694  666 VAL A CG1 
397  C CG2 . VAL A 89  ? 0.64989 0.49617 0.34978 0.00708  0.02841  0.03504  666 VAL A CG2 
398  N N   . VAL A 90  ? 0.66829 0.48102 0.25612 0.01542  0.04639  0.01939  667 VAL A N   
399  C CA  . VAL A 90  ? 0.67604 0.47990 0.25504 0.01166  0.06673  0.00717  667 VAL A CA  
400  C C   . VAL A 90  ? 0.61596 0.42892 0.25380 0.00244  0.08900  0.00854  667 VAL A C   
401  O O   . VAL A 90  ? 0.64583 0.44595 0.28117 0.00244  0.11905  0.01195  667 VAL A O   
402  C CB  . VAL A 90  ? 0.68796 0.50162 0.26089 0.00795  0.04593  -0.01624 667 VAL A CB  
403  C CG1 . VAL A 90  ? 0.70808 0.51083 0.28014 0.00463  0.06981  -0.02934 667 VAL A CG1 
404  C CG2 . VAL A 90  ? 0.74195 0.54870 0.25494 0.01638  0.02220  -0.02040 667 VAL A CG2 
405  N N   . GLN A 91  ? 0.57024 0.40698 0.26173 -0.00484 0.07438  0.00579  668 GLN A N   
406  C CA  . GLN A 91  ? 0.52983 0.38168 0.27846 -0.01323 0.08715  0.00435  668 GLN A CA  
407  C C   . GLN A 91  ? 0.53730 0.39280 0.31609 -0.01679 0.09073  0.01694  668 GLN A C   
408  O O   . GLN A 91  ? 0.51361 0.36951 0.28698 -0.01421 0.07413  0.02242  668 GLN A O   
409  C CB  . GLN A 91  ? 0.50750 0.38215 0.29116 -0.01823 0.06840  -0.00876 668 GLN A CB  
410  C CG  . GLN A 91  ? 0.54819 0.41755 0.31316 -0.01713 0.06727  -0.02358 668 GLN A CG  
411  C CD  . GLN A 91  ? 0.49668 0.38530 0.30021 -0.02189 0.05270  -0.03282 668 GLN A CD  
412  O OE1 . GLN A 91  ? 0.47044 0.36909 0.27766 -0.02335 0.03053  -0.03518 668 GLN A OE1 
413  N NE2 . GLN A 91  ? 0.44922 0.34392 0.28485 -0.02325 0.06654  -0.03594 668 GLN A NE2 
414  N N   . THR A 92  ? 0.52463 0.38340 0.33897 -0.02295 0.11257  0.02013  669 THR A N   
415  C CA  . THR A 92  ? 0.50294 0.36462 0.35217 -0.02948 0.11738  0.02798  669 THR A CA  
416  C C   . THR A 92  ? 0.45723 0.34231 0.34146 -0.03433 0.09255  0.01992  669 THR A C   
417  O O   . THR A 92  ? 0.41255 0.31421 0.30348 -0.03363 0.07658  0.01011  669 THR A O   
418  C CB  . THR A 92  ? 0.50684 0.37270 0.39463 -0.03692 0.14454  0.02988  669 THR A CB  
419  O OG1 . THR A 92  ? 0.56052 0.41976 0.47300 -0.04403 0.15383  0.03819  669 THR A OG1 
420  C CG2 . THR A 92  ? 0.42828 0.32537 0.36488 -0.04222 0.13646  0.01763  669 THR A CG2 
421  N N   . LEU A 93  ? 0.43004 0.31336 0.33527 -0.03912 0.09161  0.02417  670 LEU A N   
422  C CA  . LEU A 93  ? 0.41274 0.31441 0.34394 -0.04256 0.07032  0.01617  670 LEU A CA  
423  C C   . LEU A 93  ? 0.38038 0.30995 0.34789 -0.04785 0.06396  0.00528  670 LEU A C   
424  O O   . LEU A 93  ? 0.35502 0.29949 0.32507 -0.04545 0.04578  -0.00094 670 LEU A O   
425  C CB  . LEU A 93  ? 0.40913 0.30100 0.35958 -0.04843 0.07506  0.01930  670 LEU A CB  
426  C CG  . LEU A 93  ? 0.41143 0.32003 0.38927 -0.05330 0.05732  0.00844  670 LEU A CG  
427  C CD1 . LEU A 93  ? 0.36484 0.27352 0.31973 -0.04387 0.03890  0.00866  670 LEU A CD1 
428  C CD2 . LEU A 93  ? 0.41346 0.30858 0.41404 -0.06213 0.06759  0.00809  670 LEU A CD2 
429  N N   . GLU A 94  ? 0.35857 0.29628 0.35693 -0.05416 0.07967  0.00443  671 GLU A N   
430  C CA  . GLU A 94  ? 0.35970 0.32651 0.39568 -0.05684 0.07231  -0.00365 671 GLU A CA  
431  C C   . GLU A 94  ? 0.35637 0.32783 0.37594 -0.04859 0.06632  -0.00621 671 GLU A C   
432  O O   . GLU A 94  ? 0.32162 0.31247 0.35813 -0.04692 0.05173  -0.01086 671 GLU A O   
433  C CB  . GLU A 94  ? 0.38595 0.36272 0.46186 -0.06370 0.09187  -0.00286 671 GLU A CB  
434  C CG  . GLU A 94  ? 0.35075 0.36199 0.47146 -0.06511 0.08150  -0.00973 671 GLU A CG  
435  C CD  . GLU A 94  ? 0.42386 0.45158 0.59426 -0.07202 0.09897  -0.00939 671 GLU A CD  
436  O OE1 . GLU A 94  ? 0.43375 0.44407 0.60623 -0.07810 0.12142  -0.00401 671 GLU A OE1 
437  O OE2 . GLU A 94  ? 0.41353 0.47253 0.62328 -0.07067 0.09074  -0.01324 671 GLU A OE2 
438  N N   . GLU A 95  ? 0.36518 0.31680 0.34978 -0.04316 0.07812  -0.00350 672 GLU A N   
439  C CA  . GLU A 95  ? 0.35121 0.30268 0.32041 -0.03712 0.07355  -0.00905 672 GLU A CA  
440  C C   . GLU A 95  ? 0.33797 0.29122 0.29106 -0.03513 0.05065  -0.01236 672 GLU A C   
441  O O   . GLU A 95  ? 0.32807 0.29080 0.29064 -0.03324 0.04210  -0.01723 672 GLU A O   
442  C CB  . GLU A 95  ? 0.40628 0.33354 0.33534 -0.03246 0.09022  -0.00872 672 GLU A CB  
443  C CG  . GLU A 95  ? 0.48416 0.40728 0.42563 -0.03224 0.11824  -0.00595 672 GLU A CG  
444  C CD  . GLU A 95  ? 0.61901 0.51577 0.51045 -0.02564 0.13322  -0.00855 672 GLU A CD  
445  O OE1 . GLU A 95  ? 0.63794 0.53211 0.51919 -0.02200 0.12932  -0.01884 672 GLU A OE1 
446  O OE2 . GLU A 95  ? 0.63881 0.51528 0.49838 -0.02386 0.14868  -0.00061 672 GLU A OE2 
447  N N   . ARG A 96  ? 0.32991 0.27279 0.25992 -0.03459 0.04272  -0.00855 673 ARG A N   
448  C CA  . ARG A 96  ? 0.31720 0.26430 0.23721 -0.03226 0.02270  -0.01110 673 ARG A CA  
449  C C   . ARG A 96  ? 0.33743 0.30436 0.28886 -0.03447 0.01198  -0.01302 673 ARG A C   
450  O O   . ARG A 96  ? 0.31376 0.28900 0.26884 -0.03288 0.00123  -0.01616 673 ARG A O   
451  C CB  . ARG A 96  ? 0.36045 0.29445 0.25468 -0.02888 0.01753  -0.00451 673 ARG A CB  
452  C CG  . ARG A 96  ? 0.35915 0.27402 0.21105 -0.02381 0.02314  -0.00239 673 ARG A CG  
453  C CD  . ARG A 96  ? 0.44012 0.34266 0.26358 -0.01697 0.01600  0.00727  673 ARG A CD  
454  N NE  . ARG A 96  ? 0.44650 0.33323 0.26917 -0.01669 0.03279  0.01911  673 ARG A NE  
455  C CZ  . ARG A 96  ? 0.47399 0.35706 0.30759 -0.01533 0.02987  0.02633  673 ARG A CZ  
456  N NH1 . ARG A 96  ? 0.40749 0.30322 0.25265 -0.01276 0.01142  0.02357  673 ARG A NH1 
457  N NH2 . ARG A 96  ? 0.46345 0.32793 0.29846 -0.01665 0.04846  0.03641  673 ARG A NH2 
458  N N   . THR A 97  ? 0.30687 0.28075 0.28052 -0.03848 0.01557  -0.01163 674 THR A N   
459  C CA  . THR A 97  ? 0.30121 0.29316 0.29769 -0.03982 0.00445  -0.01464 674 THR A CA  
460  C C   . THR A 97  ? 0.29464 0.30322 0.31132 -0.03791 0.00373  -0.01615 674 THR A C   
461  O O   . THR A 97  ? 0.30647 0.32586 0.32786 -0.03467 -0.00646 -0.01632 674 THR A O   
462  C CB  . THR A 97  ? 0.30539 0.29874 0.31870 -0.04607 0.00698  -0.01608 674 THR A CB  
463  O OG1 . THR A 97  ? 0.31902 0.29305 0.31374 -0.04575 0.00882  -0.01281 674 THR A OG1 
464  C CG2 . THR A 97  ? 0.30940 0.32175 0.34088 -0.04737 -0.00612 -0.02196 674 THR A CG2 
465  N N   . GLU A 98  ? 0.29443 0.30438 0.32388 -0.03839 0.01653  -0.01561 675 GLU A N   
466  C CA  . GLU A 98  ? 0.29174 0.31668 0.34339 -0.03392 0.01720  -0.01513 675 GLU A CA  
467  C C   . GLU A 98  ? 0.28089 0.29758 0.31743 -0.02872 0.01438  -0.01539 675 GLU A C   
468  O O   . GLU A 98  ? 0.31474 0.34202 0.36622 -0.02362 0.01037  -0.01267 675 GLU A O   
469  C CB  . GLU A 98  ? 0.30761 0.33378 0.37754 -0.03397 0.03517  -0.01435 675 GLU A CB  
470  C CG  . GLU A 98  ? 0.33647 0.37998 0.43598 -0.02696 0.03670  -0.01219 675 GLU A CG  
471  C CD  . GLU A 98  ? 0.44882 0.49297 0.56895 -0.02513 0.05809  -0.01137 675 GLU A CD  
472  O OE1 . GLU A 98  ? 0.48932 0.52139 0.60091 -0.03050 0.07264  -0.01201 675 GLU A OE1 
473  O OE2 . GLU A 98  ? 0.37851 0.43423 0.52389 -0.01703 0.06244  -0.00870 675 GLU A OE2 
474  N N   . THR A 99  ? 0.30774 0.30561 0.31565 -0.02988 0.01582  -0.01840 676 THR A N   
475  C CA  . THR A 99  ? 0.30249 0.29298 0.30122 -0.02794 0.01218  -0.02162 676 THR A CA  
476  C C   . THR A 99  ? 0.33800 0.33714 0.33984 -0.02780 -0.00159 -0.01924 676 THR A C   
477  O O   . THR A 99  ? 0.29248 0.29445 0.30521 -0.02532 -0.00262 -0.01753 676 THR A O   
478  C CB  . THR A 99  ? 0.35239 0.32313 0.31988 -0.02974 0.01517  -0.02814 676 THR A CB  
479  O OG1 . THR A 99  ? 0.34755 0.30802 0.30787 -0.02860 0.03206  -0.02951 676 THR A OG1 
480  C CG2 . THR A 99  ? 0.35778 0.32092 0.32154 -0.03044 0.01137  -0.03543 676 THR A CG2 
481  N N   . LEU A 100 ? 0.31891 0.32034 0.31228 -0.02955 -0.00936 -0.01808 677 LEU A N   
482  C CA  . LEU A 100 ? 0.30532 0.31479 0.30204 -0.02822 -0.01889 -0.01583 677 LEU A CA  
483  C C   . LEU A 100 ? 0.31330 0.33642 0.32572 -0.02452 -0.02027 -0.01137 677 LEU A C   
484  O O   . LEU A 100 ? 0.32656 0.35382 0.34093 -0.02167 -0.02320 -0.00791 677 LEU A O   
485  C CB  . LEU A 100 ? 0.30928 0.31716 0.29665 -0.02894 -0.02381 -0.01547 677 LEU A CB  
486  C CG  . LEU A 100 ? 0.38715 0.38702 0.35942 -0.02837 -0.02878 -0.01593 677 LEU A CG  
487  C CD1 . LEU A 100 ? 0.41930 0.41477 0.38606 -0.02691 -0.02992 -0.01336 677 LEU A CD1 
488  C CD2 . LEU A 100 ? 0.32988 0.33738 0.31071 -0.02736 -0.03495 -0.01632 677 LEU A CD2 
489  N N   . LYS A 101 ? 0.26076 0.29239 0.28450 -0.02402 -0.01848 -0.01079 678 LYS A N   
490  C CA  . LYS A 101 ? 0.31635 0.36412 0.35245 -0.01886 -0.02355 -0.00642 678 LYS A CA  
491  C C   . LYS A 101 ? 0.30895 0.35595 0.35037 -0.01201 -0.02003 0.00088  678 LYS A C   
492  O O   . LYS A 101 ? 0.27662 0.33364 0.31930 -0.00520 -0.02467 0.00781  678 LYS A O   
493  C CB  . LYS A 101 ? 0.31535 0.37572 0.37066 -0.02006 -0.02285 -0.00796 678 LYS A CB  
494  C CG  . LYS A 101 ? 0.35661 0.43609 0.43002 -0.01203 -0.02781 -0.00187 678 LYS A CG  
495  C CD  . LYS A 101 ? 0.31982 0.41618 0.42142 -0.01428 -0.02723 -0.00444 678 LYS A CD  
496  C CE  . LYS A 101 ? 0.29212 0.38480 0.41113 -0.01017 -0.01235 -0.00068 678 LYS A CE  
497  N NZ  . LYS A 101 ? 0.26255 0.37933 0.41887 -0.00951 -0.01198 -0.00058 678 LYS A NZ  
498  N N   . HIS A 102 ? 0.26993 0.30286 0.31215 -0.01336 -0.01128 -0.00070 679 HIS A N   
499  C CA  . HIS A 102 ? 0.26000 0.28661 0.31128 -0.00808 -0.00460 0.00532  679 HIS A CA  
500  C C   . HIS A 102 ? 0.26815 0.28720 0.31442 -0.01029 -0.00469 0.00676  679 HIS A C   
501  O O   . HIS A 102 ? 0.28955 0.30032 0.34561 -0.00726 0.00298  0.01247  679 HIS A O   
502  C CB  . HIS A 102 ? 0.27295 0.28498 0.32936 -0.00935 0.00682  -0.00038 679 HIS A CB  
503  C CG  . HIS A 102 ? 0.24663 0.26751 0.31639 -0.00543 0.01180  0.00050  679 HIS A CG  
504  N ND1 . HIS A 102 ? 0.25132 0.28252 0.34321 0.00485  0.01503  0.00981  679 HIS A ND1 
505  C CD2 . HIS A 102 ? 0.28052 0.30321 0.34831 -0.00978 0.01502  -0.00528 679 HIS A CD2 
506  C CE1 . HIS A 102 ? 0.26659 0.30890 0.37420 0.00600  0.01911  0.00830  679 HIS A CE1 
507  N NE2 . HIS A 102 ? 0.28301 0.31910 0.37631 -0.00356 0.02080  -0.00082 679 HIS A NE2 
508  N N   . ILE A 103 ? 0.23538 0.25678 0.27098 -0.01512 -0.01135 0.00258  680 ILE A N   
509  C CA  . ILE A 103 ? 0.23823 0.25585 0.27657 -0.01828 -0.01063 0.00273  680 ILE A CA  
510  C C   . ILE A 103 ? 0.26925 0.29505 0.30701 -0.01168 -0.00922 0.01335  680 ILE A C   
511  O O   . ILE A 103 ? 0.28941 0.32432 0.31533 -0.00822 -0.01504 0.01400  680 ILE A O   
512  C CB  . ILE A 103 ? 0.26822 0.28590 0.29815 -0.02441 -0.01827 -0.00592 680 ILE A CB  
513  C CG1 . ILE A 103 ? 0.23835 0.24563 0.25954 -0.02900 -0.01880 -0.01528 680 ILE A CG1 
514  C CG2 . ILE A 103 ? 0.25738 0.27715 0.29937 -0.02774 -0.01864 -0.00606 680 ILE A CG2 
515  C CD1 . ILE A 103 ? 0.23074 0.22520 0.26081 -0.03209 -0.01155 -0.02028 680 ILE A CD1 
516  N N   . ARG A 104 ? 0.24597 0.26604 0.29524 -0.01036 0.00009  0.02089  681 ARG A N   
517  C CA  . ARG A 104 ? 0.24175 0.26557 0.28646 -0.00176 0.00628  0.03445  681 ARG A CA  
518  C C   . ARG A 104 ? 0.27717 0.31004 0.30921 -0.00084 0.00238  0.03248  681 ARG A C   
519  O O   . ARG A 104 ? 0.29468 0.33259 0.30912 0.00787  0.00285  0.03940  681 ARG A O   
520  C CB  . ARG A 104 ? 0.27011 0.28253 0.33400 -0.00355 0.02075  0.04218  681 ARG A CB  
521  C CG  . ARG A 104 ? 0.38799 0.39899 0.44595 0.00661  0.03260  0.05995  681 ARG A CG  
522  C CD  . ARG A 104 ? 0.35526 0.35284 0.43949 0.00132  0.04988  0.06635  681 ARG A CD  
523  N NE  . ARG A 104 ? 0.34108 0.32312 0.44396 -0.00389 0.05381  0.06204  681 ARG A NE  
524  C CZ  . ARG A 104 ? 0.37179 0.34138 0.47457 0.00591  0.06255  0.07482  681 ARG A CZ  
525  N NH1 . ARG A 104 ? 0.39198 0.36662 0.47409 0.02200  0.06368  0.09268  681 ARG A NH1 
526  N NH2 . ARG A 104 ? 0.32526 0.27635 0.44819 0.00048  0.06993  0.06923  681 ARG A NH2 
527  N N   . TRP A 105 ? 0.25732 0.29166 0.29700 -0.00842 -0.00120 0.02317  682 TRP A N   
528  C CA  . TRP A 105 ? 0.27547 0.31629 0.31063 -0.00630 -0.00059 0.02263  682 TRP A CA  
529  C C   . TRP A 105 ? 0.28990 0.33353 0.30405 -0.00348 -0.00966 0.01618  682 TRP A C   
530  O O   . TRP A 105 ? 0.28695 0.33267 0.29289 0.00052  -0.00728 0.01533  682 TRP A O   
531  C CB  . TRP A 105 ? 0.24650 0.29081 0.30308 -0.01370 -0.00266 0.01632  682 TRP A CB  
532  C CG  . TRP A 105 ? 0.27277 0.31301 0.35370 -0.02115 0.00211  0.01626  682 TRP A CG  
533  C CD1 . TRP A 105 ? 0.25376 0.29007 0.34303 -0.02989 -0.00612 0.00561  682 TRP A CD1 
534  C CD2 . TRP A 105 ? 0.27338 0.30980 0.37192 -0.02094 0.01761  0.02636  682 TRP A CD2 
535  N NE1 . TRP A 105 ? 0.27434 0.30449 0.38770 -0.03652 0.00208  0.00572  682 TRP A NE1 
536  C CE2 . TRP A 105 ? 0.28352 0.31313 0.40573 -0.03146 0.01780  0.01961  682 TRP A CE2 
537  C CE3 . TRP A 105 ? 0.28865 0.32434 0.38286 -0.01258 0.03297  0.04072  682 TRP A CE3 
538  C CZ2 . TRP A 105 ? 0.28509 0.30631 0.43279 -0.03526 0.03370  0.02681  682 TRP A CZ2 
539  C CZ3 . TRP A 105 ? 0.28047 0.30807 0.39664 -0.01463 0.04999  0.05090  682 TRP A CZ3 
540  C CH2 . TRP A 105 ? 0.29286 0.31288 0.43849 -0.02657 0.05068  0.04398  682 TRP A CH2 
541  N N   . VAL A 106 ? 0.28289 0.32540 0.29111 -0.00579 -0.01772 0.01112  683 VAL A N   
542  C CA  . VAL A 106 ? 0.28871 0.33171 0.28487 -0.00688 -0.02548 0.00301  683 VAL A CA  
543  C C   . VAL A 106 ? 0.32604 0.37487 0.30717 -0.00127 -0.02872 0.00364  683 VAL A C   
544  O O   . VAL A 106 ? 0.33739 0.39196 0.32003 0.00156  -0.03125 0.00817  683 VAL A O   
545  C CB  . VAL A 106 ? 0.30336 0.34267 0.30411 -0.01305 -0.02979 -0.00230 683 VAL A CB  
546  C CG1 . VAL A 106 ? 0.29793 0.33600 0.29122 -0.01546 -0.03465 -0.00932 683 VAL A CG1 
547  C CG2 . VAL A 106 ? 0.28685 0.32024 0.29401 -0.01750 -0.02961 -0.00447 683 VAL A CG2 
548  N N   . ASP A 107 ? 0.33574 0.38334 0.30201 0.00130  -0.02939 -0.00160 684 ASP A N   
549  C CA  . ASP A 107 ? 0.34081 0.39381 0.28737 0.00596  -0.03555 -0.00503 684 ASP A CA  
550  C C   . ASP A 107 ? 0.34960 0.40362 0.29678 -0.00101 -0.04605 -0.01850 684 ASP A C   
551  O O   . ASP A 107 ? 0.33646 0.40154 0.27986 -0.00048 -0.05636 -0.02203 684 ASP A O   
552  C CB  . ASP A 107 ? 0.36528 0.41361 0.29064 0.01329  -0.02800 -0.00513 684 ASP A CB  
553  C CG  . ASP A 107 ? 0.40138 0.44956 0.32850 0.02013  -0.01457 0.00994  684 ASP A CG  
554  O OD1 . ASP A 107 ? 0.40563 0.45799 0.33346 0.02394  -0.01461 0.02075  684 ASP A OD1 
555  O OD2 . ASP A 107 ? 0.36813 0.41193 0.30041 0.02179  -0.00266 0.01186  684 ASP A OD2 
556  N N   . GLU A 108 ? 0.30572 0.34902 0.25985 -0.00724 -0.04369 -0.02534 685 GLU A N   
557  C CA  . GLU A 108 ? 0.31152 0.35125 0.27022 -0.01529 -0.04946 -0.03723 685 GLU A CA  
558  C C   . GLU A 108 ? 0.31563 0.34379 0.28730 -0.02056 -0.04374 -0.03516 685 GLU A C   
559  O O   . GLU A 108 ? 0.32550 0.34713 0.29653 -0.01692 -0.03817 -0.02918 685 GLU A O   
560  C CB  . GLU A 108 ? 0.30727 0.33794 0.24871 -0.01477 -0.05044 -0.05006 685 GLU A CB  
561  C CG  . GLU A 108 ? 0.42655 0.46661 0.34451 -0.00814 -0.05690 -0.05371 685 GLU A CG  
562  C CD  . GLU A 108 ? 0.49429 0.52148 0.39040 -0.00801 -0.05684 -0.07032 685 GLU A CD  
563  O OE1 . GLU A 108 ? 0.51359 0.52464 0.41909 -0.01470 -0.05271 -0.07978 685 GLU A OE1 
564  O OE2 . GLU A 108 ? 0.51790 0.54860 0.38500 -0.00032 -0.05964 -0.07362 685 GLU A OE2 
565  N N   . ILE A 109 ? 0.29678 0.32383 0.28078 -0.02855 -0.04508 -0.03934 686 ILE A N   
566  C CA  . ILE A 109 ? 0.30542 0.31866 0.29511 -0.03236 -0.03801 -0.03591 686 ILE A CA  
567  C C   . ILE A 109 ? 0.32187 0.32228 0.31656 -0.03967 -0.03551 -0.04475 686 ILE A C   
568  O O   . ILE A 109 ? 0.32967 0.33857 0.33554 -0.04663 -0.04054 -0.05420 686 ILE A O   
569  C CB  . ILE A 109 ? 0.32878 0.34791 0.32903 -0.03485 -0.03529 -0.03002 686 ILE A CB  
570  C CG1 . ILE A 109 ? 0.31740 0.34387 0.31473 -0.02882 -0.03598 -0.02283 686 ILE A CG1 
571  C CG2 . ILE A 109 ? 0.33705 0.33938 0.33446 -0.03755 -0.02683 -0.02624 686 ILE A CG2 
572  C CD1 . ILE A 109 ? 0.28785 0.31615 0.29370 -0.03049 -0.03137 -0.01945 686 ILE A CD1 
573  N N   . ILE A 110 ? 0.34251 0.32284 0.33140 -0.03793 -0.02825 -0.04164 687 ILE A N   
574  C CA  . ILE A 110 ? 0.35602 0.31704 0.35165 -0.04481 -0.02121 -0.04677 687 ILE A CA  
575  C C   . ILE A 110 ? 0.34066 0.29130 0.33772 -0.04594 -0.01193 -0.03521 687 ILE A C   
576  O O   . ILE A 110 ? 0.35781 0.30082 0.34073 -0.03750 -0.01016 -0.02455 687 ILE A O   
577  C CB  . ILE A 110 ? 0.37226 0.31339 0.35831 -0.03915 -0.01703 -0.04977 687 ILE A CB  
578  C CG1 . ILE A 110 ? 0.43653 0.38545 0.41491 -0.03758 -0.02366 -0.06294 687 ILE A CG1 
579  C CG2 . ILE A 110 ? 0.39756 0.31223 0.39215 -0.04588 -0.00629 -0.05252 687 ILE A CG2 
580  C CD1 . ILE A 110 ? 0.45316 0.38498 0.42084 -0.02842 -0.01718 -0.06485 687 ILE A CD1 
581  N N   . SER A 111 ? 0.35408 0.30625 0.36826 -0.05590 -0.00617 -0.03741 688 SER A N   
582  C CA  . SER A 111 ? 0.36239 0.30652 0.37544 -0.05674 0.00567  -0.02643 688 SER A CA  
583  C C   . SER A 111 ? 0.36193 0.29259 0.39561 -0.06801 0.01937  -0.02857 688 SER A C   
584  O O   . SER A 111 ? 0.39585 0.34331 0.45789 -0.07827 0.01812  -0.03763 688 SER A O   
585  C CB  . SER A 111 ? 0.35920 0.32516 0.37755 -0.05615 0.00250  -0.02500 688 SER A CB  
586  O OG  . SER A 111 ? 0.38036 0.33744 0.39581 -0.05698 0.01659  -0.01670 688 SER A OG  
587  N N   . PRO A 112 ? 0.40385 0.30504 0.42743 -0.06629 0.03314  -0.01941 689 PRO A N   
588  C CA  . PRO A 112 ? 0.40296 0.28640 0.39560 -0.05246 0.03355  -0.00644 689 PRO A CA  
589  C C   . PRO A 112 ? 0.42278 0.29948 0.41153 -0.04651 0.02566  -0.01170 689 PRO A C   
590  O O   . PRO A 112 ? 0.42512 0.29724 0.43033 -0.05433 0.02593  -0.02496 689 PRO A O   
591  C CB  . PRO A 112 ? 0.44674 0.30011 0.43379 -0.05298 0.05412  0.00694  689 PRO A CB  
592  C CG  . PRO A 112 ? 0.44993 0.29799 0.47200 -0.06899 0.06399  -0.00403 689 PRO A CG  
593  C CD  . PRO A 112 ? 0.42255 0.30620 0.46861 -0.07797 0.05078  -0.01950 689 PRO A CD  
594  N N   . CYS A 113 ? 0.38024 0.25607 0.34877 -0.03284 0.01931  -0.00248 690 CYS A N   
595  C CA  . CYS A 113 ? 0.42269 0.28972 0.39014 -0.02475 0.01642  -0.00476 690 CYS A CA  
596  C C   . CYS A 113 ? 0.46192 0.29729 0.42082 -0.01604 0.02826  0.00926  690 CYS A C   
597  O O   . CYS A 113 ? 0.49340 0.31612 0.43947 -0.01370 0.03629  0.02355  690 CYS A O   
598  C CB  . CYS A 113 ? 0.41200 0.30076 0.37175 -0.01427 0.00277  -0.00288 690 CYS A CB  
599  S SG  . CYS A 113 ? 0.43261 0.32529 0.37243 -0.00248 -0.00353 0.01452  690 CYS A SG  
600  N N   . PRO A 114 ? 0.46055 0.28032 0.42394 -0.00926 0.03130  0.00682  691 PRO A N   
601  C CA  . PRO A 114 ? 0.49303 0.28184 0.44872 0.00306  0.04249  0.02358  691 PRO A CA  
602  C C   . PRO A 114 ? 0.51596 0.31674 0.45234 0.01999  0.03177  0.04183  691 PRO A C   
603  O O   . PRO A 114 ? 0.49833 0.32923 0.43442 0.02325  0.01610  0.03797  691 PRO A O   
604  C CB  . PRO A 114 ? 0.53027 0.30410 0.49783 0.00782  0.04695  0.01356  691 PRO A CB  
605  C CG  . PRO A 114 ? 0.55479 0.34668 0.53305 -0.00667 0.04049  -0.01108 691 PRO A CG  
606  C CD  . PRO A 114 ? 0.45913 0.28651 0.43205 -0.01050 0.02642  -0.01041 691 PRO A CD  
607  N N   . TRP A 115 ? 0.54463 0.32131 0.46464 0.03062  0.04011  0.06208  692 TRP A N   
608  C CA  . TRP A 115 ? 0.55914 0.34837 0.45772 0.04763  0.02627  0.07876  692 TRP A CA  
609  C C   . TRP A 115 ? 0.56227 0.36246 0.47398 0.06380  0.01594  0.08133  692 TRP A C   
610  O O   . TRP A 115 ? 0.55877 0.38871 0.46910 0.07175  -0.00283 0.08348  692 TRP A O   
611  C CB  . TRP A 115 ? 0.59503 0.35455 0.46610 0.05732  0.03777  0.10198  692 TRP A CB  
612  C CG  . TRP A 115 ? 0.62453 0.39925 0.46725 0.07464  0.01953  0.11739  692 TRP A CG  
613  C CD1 . TRP A 115 ? 0.65767 0.42660 0.49133 0.09717  0.01218  0.13644  692 TRP A CD1 
614  C CD2 . TRP A 115 ? 0.63425 0.43361 0.45511 0.07110  0.00448  0.11335  692 TRP A CD2 
615  N NE1 . TRP A 115 ? 0.67448 0.46597 0.48139 0.10711  -0.00939 0.14372  692 TRP A NE1 
616  C CE2 . TRP A 115 ? 0.63705 0.44548 0.43456 0.09054  -0.01374 0.12837  692 TRP A CE2 
617  C CE3 . TRP A 115 ? 0.59304 0.40713 0.41287 0.05413  0.00452  0.09799  692 TRP A CE3 
618  C CZ2 . TRP A 115 ? 0.67612 0.50620 0.44689 0.09135  -0.03247 0.12546  692 TRP A CZ2 
619  C CZ3 . TRP A 115 ? 0.58530 0.41759 0.37926 0.05607  -0.01077 0.09650  692 TRP A CZ3 
620  C CH2 . TRP A 115 ? 0.63347 0.47303 0.40226 0.07343  -0.02945 0.10855  692 TRP A CH2 
621  N N   . VAL A 116 ? 0.55069 0.32706 0.47847 0.06858  0.02908  0.08021  693 VAL A N   
622  C CA  . VAL A 116 ? 0.57072 0.35491 0.51578 0.08503  0.02447  0.08214  693 VAL A CA  
623  C C   . VAL A 116 ? 0.53822 0.32690 0.50345 0.07439  0.03009  0.05841  693 VAL A C   
624  O O   . VAL A 116 ? 0.52851 0.29162 0.49704 0.06198  0.04456  0.04583  693 VAL A O   
625  C CB  . VAL A 116 ? 0.59322 0.34181 0.53799 0.10403  0.03754  0.10162  693 VAL A CB  
626  C CG1 . VAL A 116 ? 0.61277 0.37432 0.58041 0.12337  0.03286  0.10437  693 VAL A CG1 
627  C CG2 . VAL A 116 ? 0.64714 0.38667 0.56317 0.11562  0.03351  0.12716  693 VAL A CG2 
628  N N   . VAL A 117 ? 0.51218 0.33292 0.49060 0.07927  0.01908  0.05210  694 VAL A N   
629  C CA  . VAL A 117 ? 0.51719 0.34114 0.50820 0.07341  0.02588  0.03203  694 VAL A CA  
630  C C   . VAL A 117 ? 0.50175 0.29596 0.50378 0.08675  0.04239  0.03214  694 VAL A C   
631  O O   . VAL A 117 ? 0.49088 0.28313 0.50293 0.10703  0.04264  0.04952  694 VAL A O   
632  C CB  . VAL A 117 ? 0.47810 0.34283 0.48065 0.07578  0.01360  0.02857  694 VAL A CB  
633  C CG1 . VAL A 117 ? 0.48449 0.34987 0.49264 0.07200  0.02335  0.01011  694 VAL A CG1 
634  C CG2 . VAL A 117 ? 0.47813 0.36728 0.47084 0.06281  -0.00077 0.02750  694 VAL A CG2 
635  N N   . THR A 118 ? 0.48235 0.25371 0.48322 0.07630  0.05552  0.01183  695 THR A N   
636  C CA  . THR A 118 ? 0.56777 0.30560 0.57727 0.08685  0.07393  0.00632  695 THR A CA  
637  C C   . THR A 118 ? 0.55248 0.29852 0.56224 0.08492  0.07893  -0.01610 695 THR A C   
638  O O   . THR A 118 ? 0.52015 0.28889 0.51929 0.07068  0.06969  -0.02996 695 THR A O   
639  C CB  . THR A 118 ? 0.59324 0.28535 0.59863 0.07548  0.08871  -0.00063 695 THR A CB  
640  O OG1 . THR A 118 ? 0.59996 0.29474 0.59812 0.05200  0.08602  -0.02647 695 THR A OG1 
641  C CG2 . THR A 118 ? 0.64527 0.32738 0.64497 0.07587  0.08726  0.02253  695 THR A CG2 
642  N N   . PRO A 119 ? 0.54749 0.27369 0.56699 0.10060  0.09516  -0.01947 696 PRO A N   
643  C CA  . PRO A 119 ? 0.55382 0.28039 0.56561 0.09902  0.10425  -0.04298 696 PRO A CA  
644  C C   . PRO A 119 ? 0.61014 0.31926 0.59977 0.07639  0.10389  -0.07051 696 PRO A C   
645  O O   . PRO A 119 ? 0.59270 0.31993 0.56565 0.06900  0.09909  -0.08698 696 PRO A O   
646  C CB  . PRO A 119 ? 0.60735 0.30349 0.63331 0.12008  0.12617  -0.04177 696 PRO A CB  
647  C CG  . PRO A 119 ? 0.61589 0.31045 0.66265 0.13710  0.12376  -0.01184 696 PRO A CG  
648  C CD  . PRO A 119 ? 0.57623 0.27637 0.61200 0.12206  0.10749  -0.00132 696 PRO A CD  
649  N N   . GLU A 120 ? 0.59865 0.27320 0.58910 0.06547  0.10894  -0.07542 697 GLU A N   
650  C CA  . GLU A 120 ? 0.63752 0.30001 0.61475 0.04192  0.10551  -0.10284 697 GLU A CA  
651  C C   . GLU A 120 ? 0.61383 0.31760 0.58243 0.02699  0.08406  -0.10362 697 GLU A C   
652  O O   . GLU A 120 ? 0.60769 0.32082 0.56077 0.01435  0.07618  -0.12627 697 GLU A O   
653  C CB  . GLU A 120 ? 0.63112 0.25242 0.62052 0.03131  0.11574  -0.10415 697 GLU A CB  
654  C CG  . GLU A 120 ? 0.72610 0.30674 0.72342 0.04286  0.13586  -0.10646 697 GLU A CG  
655  C CD  . GLU A 120 ? 0.74803 0.32424 0.75921 0.06944  0.14474  -0.07436 697 GLU A CD  
656  O OE1 . GLU A 120 ? 0.65985 0.26048 0.67394 0.07741  0.13447  -0.05020 697 GLU A OE1 
657  O OE2 . GLU A 120 ? 0.81355 0.36934 0.83246 0.08170  0.15803  -0.07264 697 GLU A OE2 
658  N N   . PHE A 121 ? 0.52670 0.25434 0.50359 0.02932  0.07415  -0.07931 698 PHE A N   
659  C CA  . PHE A 121 ? 0.55068 0.31534 0.52177 0.01747  0.05623  -0.07835 698 PHE A CA  
660  C C   . PHE A 121 ? 0.55263 0.34694 0.51137 0.02244  0.04963  -0.08456 698 PHE A C   
661  O O   . PHE A 121 ? 0.55423 0.36687 0.50134 0.01083  0.03869  -0.09645 698 PHE A O   
662  C CB  . PHE A 121 ? 0.51204 0.29194 0.49081 0.02181  0.04950  -0.05231 698 PHE A CB  
663  C CG  . PHE A 121 ? 0.44582 0.26075 0.42032 0.01168  0.03368  -0.05019 698 PHE A CG  
664  C CD1 . PHE A 121 ? 0.50327 0.31844 0.47999 -0.00526 0.02984  -0.05533 698 PHE A CD1 
665  C CD2 . PHE A 121 ? 0.47031 0.31681 0.44341 0.01948  0.02471  -0.04203 698 PHE A CD2 
666  C CE1 . PHE A 121 ? 0.49332 0.33876 0.46852 -0.01225 0.01749  -0.05217 698 PHE A CE1 
667  C CE2 . PHE A 121 ? 0.47253 0.34631 0.44294 0.01099  0.01245  -0.03979 698 PHE A CE2 
668  C CZ  . PHE A 121 ? 0.47981 0.35243 0.45016 -0.00381 0.00897  -0.04454 698 PHE A CZ  
669  N N   . LEU A 122 ? 0.53252 0.33275 0.49582 0.04052  0.05709  -0.07493 699 LEU A N   
670  C CA  . LEU A 122 ? 0.50248 0.32763 0.45598 0.04591  0.05630  -0.07884 699 LEU A CA  
671  C C   . LEU A 122 ? 0.57088 0.38073 0.49867 0.04123  0.06225  -0.10491 699 LEU A C   
672  O O   . LEU A 122 ? 0.53010 0.35982 0.43865 0.03825  0.05622  -0.11142 699 LEU A O   
673  C CB  . LEU A 122 ? 0.48440 0.31805 0.45626 0.06602  0.06648  -0.06383 699 LEU A CB  
674  C CG  . LEU A 122 ? 0.49482 0.34638 0.49063 0.07261  0.05715  -0.03950 699 LEU A CG  
675  C CD1 . LEU A 122 ? 0.50532 0.37004 0.52599 0.09254  0.06553  -0.02712 699 LEU A CD1 
676  C CD2 . LEU A 122 ? 0.46323 0.34601 0.45661 0.06109  0.03991  -0.03354 699 LEU A CD2 
677  N N   . GLU A 123 ? 0.56196 0.33461 0.48663 0.04140  0.07442  -0.12025 700 GLU A N   
678  C CA  . GLU A 123 ? 0.62469 0.38068 0.52039 0.03596  0.07820  -0.14923 700 GLU A CA  
679  C C   . GLU A 123 ? 0.64906 0.41418 0.53337 0.01458  0.05878  -0.16490 700 GLU A C   
680  O O   . GLU A 123 ? 0.68648 0.46341 0.54225 0.01079  0.05047  -0.18078 700 GLU A O   
681  C CB  . GLU A 123 ? 0.70988 0.42009 0.60753 0.04145  0.09772  -0.16378 700 GLU A CB  
682  C CG  . GLU A 123 ? 0.73837 0.44258 0.65156 0.06585  0.11784  -0.14764 700 GLU A CG  
683  C CD  . GLU A 123 ? 0.80529 0.53486 0.70344 0.07835  0.12412  -0.14589 700 GLU A CD  
684  O OE1 . GLU A 123 ? 0.77515 0.48996 0.64004 0.07894  0.13311  -0.16944 700 GLU A OE1 
685  O OE2 . GLU A 123 ? 0.64766 0.41087 0.56652 0.08714  0.12081  -0.12161 700 GLU A OE2 
686  N N   . LYS A 124 ? 0.59379 0.35644 0.50068 0.00181  0.05136  -0.15861 701 LYS A N   
687  C CA  . LYS A 124 ? 0.64654 0.42127 0.55258 -0.01852 0.03387  -0.17298 701 LYS A CA  
688  C C   . LYS A 124 ? 0.61748 0.43430 0.51148 -0.01859 0.01697  -0.16523 701 LYS A C   
689  O O   . LYS A 124 ? 0.62243 0.45217 0.49920 -0.02724 0.00288  -0.18276 701 LYS A O   
690  C CB  . LYS A 124 ? 0.65850 0.42382 0.59511 -0.03033 0.03424  -0.16310 701 LYS A CB  
691  C CG  . LYS A 124 ? 0.68133 0.47041 0.62877 -0.04954 0.01669  -0.16991 701 LYS A CG  
692  C CD  . LYS A 124 ? 0.74260 0.51922 0.72070 -0.05992 0.02332  -0.15815 701 LYS A CD  
693  C CE  . LYS A 124 ? 0.73584 0.53450 0.73294 -0.08006 0.00940  -0.16822 701 LYS A CE  
694  N NZ  . LYS A 124 ? 0.78196 0.56782 0.80902 -0.08958 0.02067  -0.15479 701 LYS A NZ  
695  N N   . TYR A 125 ? 0.51483 0.47469 0.43292 0.00545  -0.00027 -0.03205 702 TYR A N   
696  C CA  . TYR A 125 ? 0.48714 0.47325 0.39890 0.02670  0.00473  -0.03821 702 TYR A CA  
697  C C   . TYR A 125 ? 0.50303 0.46676 0.40466 0.04412  0.00098  -0.04594 702 TYR A C   
698  O O   . TYR A 125 ? 0.48467 0.45698 0.38128 0.06079  0.00328  -0.04610 702 TYR A O   
699  C CB  . TYR A 125 ? 0.48926 0.48605 0.38917 0.03377  0.01436  -0.03089 702 TYR A CB  
700  C CG  . TYR A 125 ? 0.48892 0.52963 0.39867 0.02049  0.02374  -0.02300 702 TYR A CG  
701  C CD1 . TYR A 125 ? 0.49378 0.58538 0.42115 0.02944  0.02972  -0.02943 702 TYR A CD1 
702  C CD2 . TYR A 125 ? 0.50427 0.54144 0.40892 -0.00085 0.02691  -0.00530 702 TYR A CD2 
703  C CE1 . TYR A 125 ? 0.50182 0.64739 0.44459 0.01718  0.04154  -0.02137 702 TYR A CE1 
704  C CE2 . TYR A 125 ? 0.49594 0.58275 0.41061 -0.01663 0.03878  0.00669  702 TYR A CE2 
705  C CZ  . TYR A 125 ? 0.47623 0.62086 0.41152 -0.00780 0.04749  -0.00287 702 TYR A CZ  
706  O OH  . TYR A 125 ? 0.51444 0.72101 0.46567 -0.02363 0.06229  0.00985  702 TYR A OH  
707  N N   . LYS A 126 ? 0.47316 0.40946 0.37390 0.04108  -0.00391 -0.05176 703 LYS A N   
708  C CA  . LYS A 126 ? 0.45170 0.37941 0.34430 0.05567  -0.00359 -0.05766 703 LYS A CA  
709  C C   . LYS A 126 ? 0.48161 0.40094 0.36941 0.06655  0.00032  -0.04728 703 LYS A C   
710  O O   . LYS A 126 ? 0.44877 0.37472 0.33236 0.07677  0.00197  -0.04428 703 LYS A O   
711  C CB  . LYS A 126 ? 0.50495 0.46155 0.39213 0.06108  -0.00639 -0.06511 703 LYS A CB  
712  N N   . ILE A 127 ? 0.45882 0.36226 0.34706 0.06182  -0.00048 -0.04002 704 ILE A N   
713  C CA  . ILE A 127 ? 0.45548 0.35061 0.33905 0.06729  -0.00125 -0.03410 704 ILE A CA  
714  C C   . ILE A 127 ? 0.48043 0.36484 0.37398 0.07105  -0.00328 -0.03141 704 ILE A C   
715  O O   . ILE A 127 ? 0.47209 0.34663 0.37477 0.07025  -0.00573 -0.03098 704 ILE A O   
716  C CB  . ILE A 127 ? 0.48251 0.37574 0.35621 0.06008  -0.00317 -0.02827 704 ILE A CB  
717  C CG1 . ILE A 127 ? 0.45333 0.37007 0.31953 0.06064  0.00374  -0.03264 704 ILE A CG1 
718  C CG2 . ILE A 127 ? 0.45462 0.33681 0.32276 0.06239  -0.00962 -0.02602 704 ILE A CG2 
719  C CD1 . ILE A 127 ? 0.45751 0.38645 0.31181 0.04947  0.00676  -0.02452 704 ILE A CD1 
720  N N   . ASP A 128 ? 0.42020 0.30739 0.31669 0.07550  -0.00222 -0.02814 705 ASP A N   
721  C CA  . ASP A 128 ? 0.46040 0.35178 0.37315 0.07743  -0.00153 -0.02295 705 ASP A CA  
722  C C   . ASP A 128 ? 0.42910 0.31487 0.35114 0.07202  -0.01146 -0.01640 705 ASP A C   
723  O O   . ASP A 128 ? 0.44069 0.33432 0.38229 0.07473  -0.01416 -0.01207 705 ASP A O   
724  C CB  . ASP A 128 ? 0.42825 0.33114 0.34283 0.07918  0.00462  -0.01625 705 ASP A CB  
725  C CG  . ASP A 128 ? 0.47056 0.38879 0.37274 0.08544  0.01200  -0.02120 705 ASP A CG  
726  O OD1 . ASP A 128 ? 0.49890 0.42398 0.40123 0.08946  0.01564  -0.03299 705 ASP A OD1 
727  O OD2 . ASP A 128 ? 0.44082 0.36271 0.33292 0.08737  0.01194  -0.01446 705 ASP A OD2 
728  N N   . TYR A 129 ? 0.41060 0.28592 0.31965 0.06630  -0.01825 -0.01786 706 TYR A N   
729  C CA  . TYR A 129 ? 0.41746 0.29037 0.32876 0.05876  -0.03166 -0.01554 706 TYR A CA  
730  C C   . TYR A 129 ? 0.45816 0.32275 0.33965 0.05624  -0.03640 -0.02380 706 TYR A C   
731  O O   . TYR A 129 ? 0.43670 0.29734 0.30321 0.06109  -0.02832 -0.03274 706 TYR A O   
732  C CB  . TYR A 129 ? 0.42156 0.29196 0.34829 0.05061  -0.03721 -0.01359 706 TYR A CB  
733  C CG  . TYR A 129 ? 0.40371 0.29394 0.35949 0.05064  -0.02868 -0.00181 706 TYR A CG  
734  C CD1 . TYR A 129 ? 0.47410 0.36454 0.42710 0.05424  -0.01618 0.00272  706 TYR A CD1 
735  C CD2 . TYR A 129 ? 0.42332 0.33973 0.40962 0.04818  -0.03282 0.00657  706 TYR A CD2 
736  C CE1 . TYR A 129 ? 0.43815 0.35549 0.41128 0.05350  -0.00533 0.01528  706 TYR A CE1 
737  C CE2 . TYR A 129 ? 0.42972 0.37606 0.44376 0.04948  -0.02042 0.01669  706 TYR A CE2 
738  C CZ  . TYR A 129 ? 0.42541 0.37249 0.42920 0.05120  -0.00537 0.02090  706 TYR A CZ  
739  O OH  . TYR A 129 ? 0.39572 0.38084 0.42042 0.05186  0.00993  0.03266  706 TYR A OH  
740  N N   . VAL A 130 ? 0.42971 0.29882 0.30301 0.05022  -0.04947 -0.02008 707 VAL A N   
741  C CA  . VAL A 130 ? 0.44680 0.31668 0.28471 0.04671  -0.05440 -0.02852 707 VAL A CA  
742  C C   . VAL A 130 ? 0.49419 0.35806 0.32741 0.03875  -0.07114 -0.04057 707 VAL A C   
743  O O   . VAL A 130 ? 0.48916 0.36305 0.34146 0.03125  -0.08666 -0.03111 707 VAL A O   
744  C CB  . VAL A 130 ? 0.45565 0.33782 0.27944 0.04338  -0.05911 -0.01136 707 VAL A CB  
745  C CG1 . VAL A 130 ? 0.50234 0.39634 0.28172 0.03845  -0.06321 -0.01864 707 VAL A CG1 
746  C CG2 . VAL A 130 ? 0.46085 0.34141 0.29230 0.04590  -0.04495 -0.00171 707 VAL A CG2 
747  N N   . ALA A 131 ? 0.49027 0.33860 0.30165 0.04087  -0.06963 -0.06335 708 ALA A N   
748  C CA  . ALA A 131 ? 0.55035 0.38435 0.35148 0.03123  -0.08823 -0.08277 708 ALA A CA  
749  C C   . ALA A 131 ? 0.59507 0.44555 0.34842 0.02957  -0.09620 -0.09546 708 ALA A C   
750  O O   . ALA A 131 ? 0.60940 0.46982 0.33265 0.04019  -0.08032 -0.10363 708 ALA A O   
751  C CB  . ALA A 131 ? 0.59602 0.39331 0.40052 0.03704  -0.08413 -0.10421 708 ALA A CB  
752  N N   . HIS A 132 ? 0.62519 0.48684 0.37173 0.01569  -0.12069 -0.09559 709 HIS A N   
753  C CA  . HIS A 132 ? 0.75194 0.63735 0.44595 0.01269  -0.13112 -0.10325 709 HIS A CA  
754  C C   . HIS A 132 ? 0.81677 0.70298 0.50239 -0.00405 -0.16342 -0.12100 709 HIS A C   
755  O O   . HIS A 132 ? 0.77394 0.64860 0.50421 -0.01619 -0.17793 -0.11904 709 HIS A O   
756  C CB  . HIS A 132 ? 0.79634 0.71327 0.48588 0.01348  -0.12937 -0.06534 709 HIS A CB  
757  N N   . ASP A 133 ? 0.92730 0.83312 0.55410 -0.00678 -0.17483 -0.13841 710 ASP A N   
758  C CA  . ASP A 133 ? 0.98377 0.90097 0.59430 -0.02507 -0.21106 -0.15467 710 ASP A CA  
759  C C   . ASP A 133 ? 1.05854 1.01460 0.69855 -0.03404 -0.23318 -0.11260 710 ASP A C   
760  O O   . ASP A 133 ? 1.07453 1.04739 0.72788 -0.02353 -0.22038 -0.07374 710 ASP A O   
761  C CB  . ASP A 133 ? 1.05881 0.99524 0.58803 -0.02350 -0.21665 -0.18501 710 ASP A CB  
762  C CG  . ASP A 133 ? 1.02349 0.93242 0.52614 -0.00725 -0.18885 -0.22597 710 ASP A CG  
763  O OD1 . ASP A 133 ? 1.06290 0.96956 0.57384 0.01085  -0.15785 -0.21346 710 ASP A OD1 
764  O OD2 . ASP A 133 ? 1.09606 0.99189 0.58282 -0.01493 -0.19244 -0.26497 710 ASP A OD2 
765  N N   . ASP A 134 ? 1.19118 1.16111 0.84427 -0.05333 -0.26888 -0.12194 711 ASP A N   
766  C CA  . ASP A 134 ? 1.25708 1.27443 0.93845 -0.05990 -0.29676 -0.08547 711 ASP A CA  
767  C C   . ASP A 134 ? 1.11996 1.14348 0.86412 -0.04499 -0.27853 -0.04206 711 ASP A C   
768  O O   . ASP A 134 ? 1.02172 1.08149 0.80668 -0.04402 -0.29795 -0.01142 711 ASP A O   
769  C CB  . ASP A 134 ? 1.19212 1.24862 0.80455 -0.05798 -0.31338 -0.07343 711 ASP A CB  
770  C CG  . ASP A 134 ? 1.34028 1.40841 0.89632 -0.07311 -0.33504 -0.11811 711 ASP A CG  
771  O OD1 . ASP A 134 ? 1.39205 1.43183 0.90961 -0.06996 -0.31247 -0.15887 711 ASP A OD1 
772  O OD2 . ASP A 134 ? 1.32912 1.44360 0.89344 -0.08385 -0.36533 -0.11303 711 ASP A OD2 
773  N N   . GLU A 143 ? 1.35145 1.46062 1.01021 0.05047  -0.34207 0.35219  738 GLU A N   
774  C CA  . GLU A 143 ? 1.26668 1.35568 1.01111 0.07241  -0.34680 0.35733  738 GLU A CA  
775  C C   . GLU A 143 ? 1.20835 1.28099 0.98469 0.06890  -0.32709 0.32116  738 GLU A C   
776  O O   . GLU A 143 ? 1.22667 1.26634 1.06336 0.08539  -0.31657 0.32341  738 GLU A O   
777  C CB  . GLU A 143 ? 1.32019 1.35921 1.09142 0.08748  -0.33923 0.39911  738 GLU A CB  
778  N N   . ASP A 144 ? 1.38247 1.35176 0.65235 -0.00153 -0.02870 0.15046  739 ASP A N   
779  C CA  . ASP A 144 ? 1.14543 1.10673 0.49739 -0.00545 -0.01806 0.10160  739 ASP A CA  
780  C C   . ASP A 144 ? 1.05842 0.98185 0.47927 0.00332  0.02393  0.10556  739 ASP A C   
781  O O   . ASP A 144 ? 1.02560 0.94168 0.51866 0.02075  0.01638  0.12700  739 ASP A O   
782  C CB  . ASP A 144 ? 1.05393 1.04923 0.46633 0.00489  -0.06430 0.09450  739 ASP A CB  
783  C CG  . ASP A 144 ? 0.99799 0.98374 0.45991 -0.00555 -0.05813 0.03769  739 ASP A CG  
784  O OD1 . ASP A 144 ? 1.01240 0.96927 0.45635 -0.01575 -0.02004 0.00499  739 ASP A OD1 
785  O OD2 . ASP A 144 ? 0.85061 0.85602 0.36531 -0.00152 -0.08956 0.02622  739 ASP A OD2 
786  N N   . ILE A 145 ? 1.01611 0.92099 0.41451 -0.01112 0.07024  0.08222  740 ILE A N   
787  C CA  . ILE A 145 ? 1.00344 0.89093 0.46589 -0.00945 0.11321  0.07757  740 ILE A CA  
788  C C   . ILE A 145 ? 0.88243 0.78191 0.44981 0.00300  0.10608  0.04874  740 ILE A C   
789  O O   . ILE A 145 ? 0.86700 0.76464 0.50059 0.00461  0.13365  0.04826  740 ILE A O   
790  C CB  . ILE A 145 ? 1.02144 0.90518 0.44122 -0.02670 0.16273  0.04945  740 ILE A CB  
791  N N   . TYR A 146 ? 0.85240 0.76485 0.43148 0.00799  0.07135  0.02324  741 TYR A N   
792  C CA  . TYR A 146 ? 0.76931 0.68702 0.43498 0.01950  0.06388  -0.00614 741 TYR A CA  
793  C C   . TYR A 146 ? 0.68660 0.61326 0.39793 0.02812  0.01874  0.01167  741 TYR A C   
794  O O   . TYR A 146 ? 0.60858 0.53781 0.37546 0.03367  0.00400  -0.01461 741 TYR A O   
795  C CB  . TYR A 146 ? 0.82380 0.73478 0.46176 0.01762  0.06976  -0.05640 741 TYR A CB  
796  C CG  . TYR A 146 ? 0.94445 0.84729 0.50797 0.00749  0.10732  -0.07113 741 TYR A CG  
797  C CD1 . TYR A 146 ? 0.96052 0.87067 0.55265 0.01401  0.15347  -0.08276 741 TYR A CD1 
798  C CD2 . TYR A 146 ? 0.97754 0.87370 0.44194 -0.01142 0.09782  -0.07428 741 TYR A CD2 
799  C CE1 . TYR A 146 ? 0.97148 0.87782 0.49699 0.00456  0.19063  -0.09775 741 TYR A CE1 
800  C CE2 . TYR A 146 ? 1.05795 0.94400 0.45091 -0.02320 0.13473  -0.08871 741 TYR A CE2 
801  C CZ  . TYR A 146 ? 1.06653 0.95538 0.49111 -0.01389 0.18175  -0.10030 741 TYR A CZ  
802  O OH  . TYR A 146 ? 1.19300 1.07506 0.54780 -0.02572 0.22087  -0.11680 741 TYR A OH  
803  N N   . ALA A 147 ? 0.69198 0.62301 0.37838 0.03208  -0.00228 0.05661  742 ALA A N   
804  C CA  . ALA A 147 ? 0.65092 0.59643 0.38796 0.04540  -0.04138 0.07535  742 ALA A CA  
805  C C   . ALA A 147 ? 0.53468 0.46787 0.37209 0.05283  -0.02887 0.06873  742 ALA A C   
806  O O   . ALA A 147 ? 0.47004 0.41513 0.36328 0.05764  -0.05581 0.05541  742 ALA A O   
807  C CB  . ALA A 147 ? 0.68509 0.63223 0.38221 0.05933  -0.05656 0.13144  742 ALA A CB  
808  N N   . TRP A 148 ? 0.53666 0.45041 0.39612 0.04920  0.01361  0.07479  743 TRP A N   
809  C CA  . TRP A 148 ? 0.47475 0.38480 0.42629 0.05087  0.02687  0.06904  743 TRP A CA  
810  C C   . TRP A 148 ? 0.43670 0.36561 0.43949 0.05165  0.02337  0.02120  743 TRP A C   
811  O O   . TRP A 148 ? 0.38031 0.31372 0.45593 0.05554  0.01139  0.01388  743 TRP A O   
812  C CB  . TRP A 148 ? 0.52179 0.41492 0.47832 0.03865  0.07648  0.08287  743 TRP A CB  
813  C CG  . TRP A 148 ? 0.50406 0.41671 0.44501 0.02745  0.11271  0.05032  743 TRP A CG  
814  C CD1 . TRP A 148 ? 0.58423 0.49266 0.44548 0.01940  0.13246  0.05114  743 TRP A CD1 
815  C CD2 . TRP A 148 ? 0.44581 0.39178 0.45372 0.02616  0.13426  0.01233  743 TRP A CD2 
816  N NE1 . TRP A 148 ? 0.57323 0.50989 0.45086 0.01415  0.16692  0.01424  743 TRP A NE1 
817  C CE2 . TRP A 148 ? 0.48574 0.44971 0.45397 0.02097  0.16746  -0.00887 743 TRP A CE2 
818  C CE3 . TRP A 148 ? 0.43406 0.40134 0.53079 0.03061  0.12827  -0.00552 743 TRP A CE3 
819  C CZ2 . TRP A 148 ? 0.46261 0.47177 0.48059 0.02590  0.19399  -0.04641 743 TRP A CZ2 
820  C CZ3 . TRP A 148 ? 0.39593 0.40767 0.53822 0.03366  0.15253  -0.04136 743 TRP A CZ3 
821  C CH2 . TRP A 148 ? 0.42374 0.45911 0.52842 0.03397  0.18477  -0.06080 743 TRP A CH2 
822  N N   . LEU A 149 ? 0.43952 0.37390 0.40034 0.05003  0.03543  -0.01073 744 LEU A N   
823  C CA  . LEU A 149 ? 0.41298 0.35192 0.40600 0.05826  0.03183  -0.05300 744 LEU A CA  
824  C C   . LEU A 149 ? 0.42341 0.35394 0.41614 0.05812  -0.01143 -0.06245 744 LEU A C   
825  O O   . LEU A 149 ? 0.39493 0.32303 0.44188 0.06409  -0.02159 -0.08242 744 LEU A O   
826  C CB  . LEU A 149 ? 0.45961 0.39435 0.39475 0.06107  0.05799  -0.08324 744 LEU A CB  
827  C CG  . LEU A 149 ? 0.48974 0.44711 0.43931 0.06347  0.10508  -0.08889 744 LEU A CG  
828  C CD1 . LEU A 149 ? 0.56620 0.51522 0.43999 0.06566  0.12949  -0.11278 744 LEU A CD1 
829  C CD2 . LEU A 149 ? 0.46711 0.45372 0.50460 0.07853  0.11682  -0.10911 744 LEU A CD2 
830  N N   . LYS A 150 ? 0.41045 0.34223 0.34042 0.04910  -0.03690 -0.04986 745 LYS A N   
831  C CA  . LYS A 150 ? 0.39036 0.32761 0.31963 0.04258  -0.07688 -0.06229 745 LYS A CA  
832  C C   . LYS A 150 ? 0.42010 0.37062 0.42965 0.04995  -0.09855 -0.04061 745 LYS A C   
833  O O   . LYS A 150 ? 0.36873 0.31694 0.42031 0.04755  -0.11614 -0.06260 745 LYS A O   
834  C CB  . LYS A 150 ? 0.44038 0.39625 0.28571 0.02881  -0.09905 -0.05365 745 LYS A CB  
835  C CG  . LYS A 150 ? 0.51514 0.45185 0.27411 0.01584  -0.07609 -0.08127 745 LYS A CG  
836  C CD  . LYS A 150 ? 0.62632 0.59016 0.29741 -0.00321 -0.09724 -0.07237 745 LYS A CD  
837  C CE  . LYS A 150 ? 0.72366 0.66250 0.30436 -0.01936 -0.06779 -0.09983 745 LYS A CE  
838  N NZ  . LYS A 150 ? 0.75635 0.72979 0.25236 -0.03972 -0.08711 -0.08612 745 LYS A NZ  
839  N N   . ARG A 151 ? 0.36734 0.32363 0.39341 0.05863  -0.09365 0.00229  746 ARG A N   
840  C CA  . ARG A 151 ? 0.33749 0.29657 0.43685 0.06752  -0.10636 0.02377  746 ARG A CA  
841  C C   . ARG A 151 ? 0.35670 0.31251 0.51051 0.05344  -0.07904 -0.00129 746 ARG A C   
842  O O   . ARG A 151 ? 0.33182 0.30035 0.49171 0.03119  -0.07298 -0.00427 746 ARG A O   
843  C CB  . ARG A 151 ? 0.37744 0.32225 0.47046 0.07826  -0.08946 0.07262  746 ARG A CB  
844  C CG  . ARG A 151 ? 0.42517 0.38152 0.44102 0.08739  -0.10586 0.10553  746 ARG A CG  
845  C CD  . ARG A 151 ? 0.43179 0.35325 0.43580 0.10135  -0.08164 0.15593  746 ARG A CD  
846  N NE  . ARG A 151 ? 0.58175 0.51302 0.50814 0.11788  -0.09933 0.19499  746 ARG A NE  
847  C CZ  . ARG A 151 ? 0.64025 0.54604 0.49180 0.11592  -0.07418 0.21899  746 ARG A CZ  
848  N NH1 . ARG A 151 ? 0.65855 0.53117 0.50558 0.09580  -0.02813 0.20582  746 ARG A NH1 
849  N NH2 . ARG A 151 ? 0.70842 0.62900 0.48704 0.13422  -0.09579 0.25629  746 ARG A NH2 
850  N N   . ALA A 152 ? 0.55199 0.37289 0.36815 0.14377  0.08032  0.05226  747 ALA A N   
851  C CA  . ALA A 152 ? 0.49408 0.36110 0.38260 0.10138  0.08032  0.02434  747 ALA A CA  
852  C C   . ALA A 152 ? 0.41763 0.36590 0.34085 0.08759  0.03233  0.01966  747 ALA A C   
853  O O   . ALA A 152 ? 0.37695 0.37311 0.34632 0.06831  0.02660  -0.00166 747 ALA A O   
854  C CB  . ALA A 152 ? 0.51782 0.34731 0.43126 0.07591  0.12477  0.00303  747 ALA A CB  
855  N N   . GLY A 153 ? 0.40729 0.37234 0.30854 0.10191  0.00339  0.03481  748 GLY A N   
856  C CA  . GLY A 153 ? 0.35380 0.37463 0.28588 0.08809  -0.02358 0.03153  748 GLY A CA  
857  C C   . GLY A 153 ? 0.39915 0.42069 0.34199 0.07208  -0.01931 0.02808  748 GLY A C   
858  O O   . GLY A 153 ? 0.35038 0.40763 0.31236 0.06535  -0.03043 0.02714  748 GLY A O   
859  N N   . LYS A 154 ? 0.38559 0.36188 0.31129 0.06996  0.00234  0.02752  749 LYS A N   
860  C CA  . LYS A 154 ? 0.39894 0.37941 0.33995 0.05359  0.00815  0.01857  749 LYS A CA  
861  C C   . LYS A 154 ? 0.44049 0.39666 0.35286 0.05872  0.00269  0.03379  749 LYS A C   
862  O O   . LYS A 154 ? 0.48738 0.44156 0.40813 0.04611  0.00832  0.02854  749 LYS A O   
863  C CB  . LYS A 154 ? 0.38463 0.33980 0.34649 0.03910  0.04451  -0.00645 749 LYS A CB  
864  C CG  . LYS A 154 ? 0.36694 0.36517 0.37250 0.03164  0.04915  -0.03631 749 LYS A CG  
865  C CD  . LYS A 154 ? 0.37798 0.38507 0.43356 0.00978  0.08294  -0.08398 749 LYS A CD  
866  C CE  . LYS A 154 ? 0.38339 0.45901 0.49226 0.00599  0.08049  -0.12690 749 LYS A CE  
867  N NZ  . LYS A 154 ? 0.32612 0.48382 0.43489 0.02699  0.03435  -0.12516 749 LYS A NZ  
868  N N   . PHE A 155 ? 0.43073 0.37898 0.31254 0.08020  -0.01032 0.04606  750 PHE A N   
869  C CA  . PHE A 155 ? 0.45097 0.38954 0.30810 0.09097  -0.01879 0.05192  750 PHE A CA  
870  C C   . PHE A 155 ? 0.48055 0.47083 0.37104 0.07772  -0.04084 0.04440  750 PHE A C   
871  O O   . PHE A 155 ? 0.47886 0.50600 0.38979 0.08039  -0.05327 0.03550  750 PHE A O   
872  C CB  . PHE A 155 ? 0.50873 0.42610 0.31392 0.13332  -0.02130 0.05766  750 PHE A CB  
873  C CG  . PHE A 155 ? 0.56792 0.47756 0.33916 0.15558  -0.02876 0.05883  750 PHE A CG  
874  C CD1 . PHE A 155 ? 0.56866 0.54137 0.36587 0.15609  -0.05918 0.03874  750 PHE A CD1 
875  C CD2 . PHE A 155 ? 0.68951 0.52750 0.40611 0.17657  0.00102  0.07531  750 PHE A CD2 
876  C CE1 . PHE A 155 ? 0.60301 0.58030 0.37395 0.17880  -0.06846 0.03190  750 PHE A CE1 
877  C CE2 . PHE A 155 ? 0.77140 0.60396 0.44978 0.20412  -0.00698 0.07689  750 PHE A CE2 
878  C CZ  . PHE A 155 ? 0.76055 0.66930 0.46709 0.20603  -0.04607 0.05359  750 PHE A CZ  
879  N N   . LYS A 156 ? 0.43449 0.42200 0.33225 0.06309  -0.03841 0.04578  751 LYS A N   
880  C CA  . LYS A 156 ? 0.40625 0.42509 0.33358 0.04996  -0.04383 0.03907  751 LYS A CA  
881  C C   . LYS A 156 ? 0.48547 0.49837 0.40203 0.05262  -0.04831 0.03393  751 LYS A C   
882  O O   . LYS A 156 ? 0.52082 0.50324 0.41869 0.04843  -0.04061 0.04415  751 LYS A O   
883  C CB  . LYS A 156 ? 0.43048 0.45195 0.37284 0.03613  -0.03111 0.04696  751 LYS A CB  
884  C CG  . LYS A 156 ? 0.40777 0.44570 0.35866 0.04124  -0.02865 0.04805  751 LYS A CG  
885  C CD  . LYS A 156 ? 0.44002 0.49764 0.41041 0.04251  -0.02898 0.04315  751 LYS A CD  
886  C CE  . LYS A 156 ? 0.47215 0.52931 0.45697 0.03809  -0.00609 0.04793  751 LYS A CE  
887  N NZ  . LYS A 156 ? 0.51183 0.58377 0.52616 0.03392  0.00446  0.03625  751 LYS A NZ  
888  N N   . ALA A 157 ? 0.41462 0.46440 0.34871 0.06012  -0.06042 0.01091  752 ALA A N   
889  C CA  . ALA A 157 ? 0.50066 0.55967 0.42680 0.06944  -0.06903 -0.00334 752 ALA A CA  
890  C C   . ALA A 157 ? 0.50489 0.56078 0.46269 0.03890  -0.05358 -0.00468 752 ALA A C   
891  O O   . ALA A 157 ? 0.49027 0.55439 0.48682 0.01711  -0.03492 -0.00883 752 ALA A O   
892  C CB  . ALA A 157 ? 0.47775 0.60023 0.42298 0.09265  -0.08969 -0.04433 752 ALA A CB  
893  N N   . THR A 158 ? 0.56402 0.59886 0.49821 0.04176  -0.05506 0.00171  753 THR A N   
894  C CA  . THR A 158 ? 0.54805 0.58115 0.50732 0.01868  -0.04165 -0.00319 753 THR A CA  
895  C C   . THR A 158 ? 0.56376 0.62456 0.52154 0.03350  -0.05768 -0.03027 753 THR A C   
896  O O   . THR A 158 ? 0.62997 0.69145 0.54269 0.06999  -0.07679 -0.03060 753 THR A O   
897  C CB  . THR A 158 ? 0.54074 0.52724 0.47388 0.00872  -0.02881 0.02841  753 THR A CB  
898  O OG1 . THR A 158 ? 0.63230 0.58910 0.52147 0.02534  -0.03672 0.03977  753 THR A OG1 
899  C CG2 . THR A 158 ? 0.53894 0.51740 0.47332 0.00506  -0.01763 0.04474  753 THR A CG2 
900  N N   . GLN A 159 ? 0.51226 0.59249 0.51463 0.01058  -0.04475 -0.05358 754 GLN A N   
901  C CA  . GLN A 159 ? 0.54872 0.67706 0.56806 0.02291  -0.06045 -0.09513 754 GLN A CA  
902  C C   . GLN A 159 ? 0.58942 0.68047 0.58078 0.01829  -0.05658 -0.07526 754 GLN A C   
903  O O   . GLN A 159 ? 0.57116 0.61514 0.56225 -0.00828 -0.03251 -0.04575 754 GLN A O   
904  C CB  . GLN A 159 ? 0.48935 0.67716 0.59882 -0.00477 -0.04196 -0.15352 754 GLN A CB  
905  C CG  . GLN A 159 ? 0.49538 0.74407 0.64554 0.00370  -0.05050 -0.19421 754 GLN A CG  
906  C CD  . GLN A 159 ? 0.52119 0.72409 0.66258 -0.01002 -0.03065 -0.15536 754 GLN A CD  
907  O OE1 . GLN A 159 ? 0.56146 0.72900 0.73491 -0.04280 0.01220  -0.14494 754 GLN A OE1 
908  N NE2 . GLN A 159 ? 0.50961 0.70786 0.60098 0.02078  -0.05693 -0.13258 754 GLN A NE2 
909  N N   . ARG A 160 ? 0.56896 0.68550 0.53213 0.05172  -0.08065 -0.09378 755 ARG A N   
910  C CA  . ARG A 160 ? 0.60254 0.69563 0.54656 0.04912  -0.07848 -0.08518 755 ARG A CA  
911  C C   . ARG A 160 ? 0.55463 0.70454 0.57453 0.02331  -0.07000 -0.13808 755 ARG A C   
912  O O   . ARG A 160 ? 0.54776 0.77425 0.62906 0.02356  -0.07520 -0.19692 755 ARG A O   
913  C CB  . ARG A 160 ? 0.68183 0.76755 0.54999 0.10542  -0.10145 -0.07835 755 ARG A CB  
914  C CG  . ARG A 160 ? 0.77550 0.78252 0.56890 0.12672  -0.09098 -0.02634 755 ARG A CG  
915  C CD  . ARG A 160 ? 0.87179 0.85062 0.57797 0.19042  -0.09686 -0.01527 755 ARG A CD  
916  N NE  . ARG A 160 ? 0.92866 0.82479 0.56814 0.21287  -0.07190 0.02711  755 ARG A NE  
917  C CZ  . ARG A 160 ? 1.00938 0.85348 0.59179 0.25481  -0.04793 0.04203  755 ARG A CZ  
918  N NH1 . ARG A 160 ? 0.95222 0.81567 0.51177 0.29274  -0.05530 0.02633  755 ARG A NH1 
919  N NH2 . ARG A 160 ? 1.05835 0.83199 0.61378 0.25757  -0.00994 0.06650  755 ARG A NH2 
920  N N   . THR A 161 ? 0.54903 0.66398 0.57091 -0.00014 -0.05295 -0.12347 756 THR A N   
921  C CA  . THR A 161 ? 0.55423 0.71226 0.64587 -0.02564 -0.03736 -0.17362 756 THR A CA  
922  C C   . THR A 161 ? 0.56083 0.74638 0.62126 0.00620  -0.06623 -0.19073 756 THR A C   
923  O O   . THR A 161 ? 0.60436 0.72958 0.59130 0.02334  -0.07349 -0.14102 756 THR A O   
924  C CB  . THR A 161 ? 0.53089 0.62425 0.64249 -0.06977 0.00988  -0.14384 756 THR A CB  
925  O OG1 . THR A 161 ? 0.50894 0.57277 0.63175 -0.08466 0.03753  -0.12324 756 THR A OG1 
926  C CG2 . THR A 161 ? 0.43951 0.56578 0.62969 -0.10059 0.04038  -0.19834 756 THR A CG2 
927  N N   . GLU A 162 ? 0.45559 0.73700 0.57469 0.01666  -0.08039 -0.26704 757 GLU A N   
928  C CA  . GLU A 162 ? 0.50673 0.83019 0.59799 0.05579  -0.10986 -0.29330 757 GLU A CA  
929  C C   . GLU A 162 ? 0.45282 0.76428 0.59372 0.01154  -0.08232 -0.30706 757 GLU A C   
930  O O   . GLU A 162 ? 0.44198 0.74842 0.66507 -0.04395 -0.03861 -0.32923 757 GLU A O   
931  C CB  . GLU A 162 ? 0.49723 0.94756 0.62833 0.10258  -0.14118 -0.37466 757 GLU A CB  
932  C CG  . GLU A 162 ? 0.64588 1.10719 0.72919 0.15335  -0.16184 -0.35922 757 GLU A CG  
933  C CD  . GLU A 162 ? 0.73076 1.10959 0.67996 0.21012  -0.17745 -0.28637 757 GLU A CD  
934  O OE1 . GLU A 162 ? 0.80910 1.18996 0.71266 0.26144  -0.18590 -0.28088 757 GLU A OE1 
935  O OE2 . GLU A 162 ? 0.80035 1.10543 0.69681 0.20244  -0.17087 -0.23351 757 GLU A OE2 
936  N N   . GLY A 163 ? 0.46498 0.76413 0.55065 0.04007  -0.10157 -0.29262 758 GLY A N   
937  C CA  . GLY A 163 ? 0.41824 0.72538 0.54959 0.00925  -0.08408 -0.31787 758 GLY A CA  
938  C C   . GLY A 163 ? 0.41299 0.61122 0.52027 -0.03358 -0.04777 -0.24934 758 GLY A C   
939  O O   . GLY A 163 ? 0.40125 0.59711 0.53942 -0.05758 -0.03047 -0.26476 758 GLY A O   
940  N N   . VAL A 164 ? 0.42508 0.54159 0.47866 -0.03916 -0.03721 -0.18000 759 VAL A N   
941  C CA  . VAL A 164 ? 0.44903 0.48053 0.48608 -0.07291 -0.00341 -0.12550 759 VAL A CA  
942  C C   . VAL A 164 ? 0.46832 0.43542 0.41865 -0.05153 -0.01833 -0.06550 759 VAL A C   
943  O O   . VAL A 164 ? 0.47368 0.38329 0.40577 -0.07029 0.00244  -0.02439 759 VAL A O   
944  C CB  . VAL A 164 ? 0.41319 0.41560 0.47887 -0.09977 0.03225  -0.10976 759 VAL A CB  
945  C CG1 . VAL A 164 ? 0.42783 0.47280 0.58849 -0.13109 0.06924  -0.16997 759 VAL A CG1 
946  C CG2 . VAL A 164 ? 0.46159 0.46557 0.49145 -0.07531 0.00904  -0.08998 759 VAL A CG2 
947  N N   . SER A 165 ? 0.44111 0.41645 0.33676 -0.00794 -0.04820 -0.06380 760 SER A N   
948  C CA  . SER A 165 ? 0.50121 0.40478 0.32352 0.00782  -0.04649 -0.01273 760 SER A CA  
949  C C   . SER A 165 ? 0.49148 0.35948 0.29976 -0.00578 -0.03703 0.00288  760 SER A C   
950  O O   . SER A 165 ? 0.49666 0.39706 0.34010 -0.01774 -0.03764 -0.02488 760 SER A O   
951  C CB  . SER A 165 ? 0.52814 0.42814 0.28301 0.06586  -0.06456 -0.00948 760 SER A CB  
952  O OG  . SER A 165 ? 0.55708 0.48621 0.28600 0.10318  -0.08180 -0.03245 760 SER A OG  
953  N N   . THR A 166 ? 0.28580 0.42378 0.26487 0.06040  0.04846  0.05434  761 THR A N   
954  C CA  . THR A 166 ? 0.34024 0.40538 0.29844 0.05931  0.05053  0.05463  761 THR A CA  
955  C C   . THR A 166 ? 0.38828 0.44050 0.33339 0.05170  0.04672  0.05491  761 THR A C   
956  O O   . THR A 166 ? 0.41590 0.42943 0.33765 0.03349  0.04550  0.05431  761 THR A O   
957  C CB  . THR A 166 ? 0.35062 0.38860 0.32331 0.08819  0.05673  0.04701  761 THR A CB  
958  O OG1 . THR A 166 ? 0.34796 0.39011 0.32698 0.09340  0.05836  0.04638  761 THR A OG1 
959  C CG2 . THR A 166 ? 0.38665 0.36818 0.34505 0.08714  0.06055  0.03808  761 THR A CG2 
960  N N   . THR A 167 ? 0.35984 0.44024 0.31530 0.06630  0.04089  0.05445  762 THR A N   
961  C CA  . THR A 167 ? 0.37852 0.44306 0.31339 0.05738  0.03459  0.05609  762 THR A CA  
962  C C   . THR A 167 ? 0.39116 0.48178 0.31698 0.02889  0.02879  0.05861  762 THR A C   
963  O O   . THR A 167 ? 0.44256 0.50455 0.34482 0.01247  0.02683  0.05919  762 THR A O   
964  C CB  . THR A 167 ? 0.38971 0.46794 0.32730 0.08031  0.02113  0.05593  762 THR A CB  
965  O OG1 . THR A 167 ? 0.41984 0.56754 0.38490 0.09156  0.00887  0.05043  762 THR A OG1 
966  C CG2 . THR A 167 ? 0.42986 0.47061 0.36621 0.10155  0.02528  0.05493  762 THR A CG2 
967  N N   . ASP A 168 ? 0.35188 0.50249 0.29541 0.01983  0.02645  0.05767  763 ASP A N   
968  C CA  . ASP A 168 ? 0.40100 0.57879 0.33303 -0.01628 0.02299  0.05907  763 ASP A CA  
969  C C   . ASP A 168 ? 0.44791 0.55664 0.34481 -0.04276 0.02586  0.06540  763 ASP A C   
970  O O   . ASP A 168 ? 0.44626 0.53941 0.32191 -0.06585 0.01986  0.06624  763 ASP A O   
971  C CB  . ASP A 168 ? 0.38285 0.63916 0.33518 -0.03160 0.02549  0.05410  763 ASP A CB  
972  C CG  . ASP A 168 ? 0.38346 0.72369 0.37537 -0.00392 0.01615  0.03821  763 ASP A CG  
973  O OD1 . ASP A 168 ? 0.37389 0.70817 0.36777 0.01821  0.00190  0.03437  763 ASP A OD1 
974  O OD2 . ASP A 168 ? 0.37576 0.78699 0.39377 -0.00350 0.02037  0.02711  763 ASP A OD2 
975  N N   . LEU A 169 ? 0.42054 0.48466 0.31004 -0.03669 0.03095  0.06706  764 LEU A N   
976  C CA  . LEU A 169 ? 0.47573 0.46637 0.33045 -0.05336 0.02543  0.06769  764 LEU A CA  
977  C C   . LEU A 169 ? 0.49152 0.44172 0.33752 -0.04384 0.02393  0.05816  764 LEU A C   
978  O O   . LEU A 169 ? 0.51114 0.42144 0.32935 -0.06335 0.01463  0.05525  764 LEU A O   
979  C CB  . LEU A 169 ? 0.49634 0.44635 0.34709 -0.03910 0.02585  0.06630  764 LEU A CB  
980  C CG  . LEU A 169 ? 0.46997 0.45378 0.31681 -0.05702 0.02725  0.07621  764 LEU A CG  
981  C CD1 . LEU A 169 ? 0.49987 0.43792 0.33780 -0.04082 0.02449  0.07523  764 LEU A CD1 
982  C CD2 . LEU A 169 ? 0.51161 0.48947 0.31876 -0.10737 0.01870  0.08617  764 LEU A CD2 
983  N N   . ILE A 170 ? 0.48103 0.43864 0.34558 -0.01701 0.03237  0.05188  765 ILE A N   
984  C CA  . ILE A 170 ? 0.48359 0.41017 0.33506 -0.01447 0.03473  0.04066  765 ILE A CA  
985  C C   . ILE A 170 ? 0.51833 0.46208 0.35436 -0.03360 0.02751  0.04534  765 ILE A C   
986  O O   . ILE A 170 ? 0.50169 0.41585 0.31641 -0.04531 0.02464  0.03641  765 ILE A O   
987  C CB  . ILE A 170 ? 0.50370 0.43149 0.36819 0.00867  0.04652  0.03471  765 ILE A CB  
988  C CG1 . ILE A 170 ? 0.48530 0.40302 0.36950 0.02771  0.05279  0.02809  765 ILE A CG1 
989  C CG2 . ILE A 170 ? 0.51350 0.41610 0.35904 0.00303  0.05305  0.02034  765 ILE A CG2 
990  C CD1 . ILE A 170 ? 0.48368 0.35913 0.36001 0.02734  0.04766  0.01192  765 ILE A CD1 
991  N N   . VAL A 171 ? 0.46620 0.46234 0.31479 -0.03483 0.02237  0.05506  766 VAL A N   
992  C CA  . VAL A 171 ? 0.50222 0.52166 0.33933 -0.05159 0.01207  0.05672  766 VAL A CA  
993  C C   . VAL A 171 ? 0.54846 0.55330 0.36661 -0.08518 0.00624  0.05670  766 VAL A C   
994  O O   . VAL A 171 ? 0.54499 0.53716 0.34311 -0.10093 -0.00058 0.05319  766 VAL A O   
995  C CB  . VAL A 171 ? 0.50708 0.59529 0.36856 -0.04091 0.00323  0.05918  766 VAL A CB  
996  C CG1 . VAL A 171 ? 0.51981 0.64068 0.37395 -0.05774 -0.01031 0.05667  766 VAL A CG1 
997  C CG2 . VAL A 171 ? 0.47126 0.55245 0.33810 -0.00732 0.00090  0.05952  766 VAL A CG2 
998  N N   . ARG A 172 ? 0.49725 0.49633 0.31412 -0.09928 0.00669  0.06117  767 ARG A N   
999  C CA  . ARG A 172 ? 0.51328 0.47828 0.29801 -0.13588 -0.00326 0.06339  767 ARG A CA  
1000 C C   . ARG A 172 ? 0.58470 0.47263 0.34314 -0.13086 -0.01016 0.05209  767 ARG A C   
1001 O O   . ARG A 172 ? 0.64094 0.50087 0.37225 -0.15474 -0.02203 0.04897  767 ARG A O   
1002 C CB  . ARG A 172 ? 0.54625 0.50592 0.32033 -0.15562 -0.00392 0.07265  767 ARG A CB  
1003 C CG  . ARG A 172 ? 0.56150 0.60770 0.35136 -0.18203 0.00073  0.07763  767 ARG A CG  
1004 C CD  . ARG A 172 ? 0.63349 0.69822 0.42487 -0.18949 0.00782  0.08392  767 ARG A CD  
1005 N NE  . ARG A 172 ? 0.62589 0.60878 0.36391 -0.21977 -0.00227 0.09418  767 ARG A NE  
1006 C CZ  . ARG A 172 ? 0.71510 0.69777 0.43158 -0.24341 -0.00015 0.10345  767 ARG A CZ  
1007 N NH1 . ARG A 172 ? 0.60915 0.68188 0.35980 -0.24109 0.01535  0.10048  767 ARG A NH1 
1008 N NH2 . ARG A 172 ? 0.71098 0.59736 0.36564 -0.26953 -0.01694 0.11418  767 ARG A NH2 
1009 N N   . ILE A 173 ? 0.54118 0.39957 0.30943 -0.09978 -0.00368 0.04127  768 ILE A N   
1010 C CA  . ILE A 173 ? 0.63909 0.44207 0.39127 -0.09039 -0.00954 0.02028  768 ILE A CA  
1011 C C   . ILE A 173 ? 0.65626 0.47529 0.40246 -0.09559 -0.00624 0.01257  768 ILE A C   
1012 O O   . ILE A 173 ? 0.66716 0.45333 0.38988 -0.10809 -0.01782 0.00038  768 ILE A O   
1013 C CB  . ILE A 173 ? 0.63030 0.41968 0.40248 -0.05719 -0.00008 0.00397  768 ILE A CB  
1014 C CG1 . ILE A 173 ? 0.61153 0.37027 0.38123 -0.05056 -0.00944 0.00830  768 ILE A CG1 
1015 C CG2 . ILE A 173 ? 0.65671 0.41451 0.42198 -0.04579 -0.00263 -0.02756 768 ILE A CG2 
1016 C CD1 . ILE A 173 ? 0.56786 0.32889 0.36524 -0.01707 0.00108  -0.00725 768 ILE A CD1 
1017 N N   . LEU A 174 ? 0.61427 0.47742 0.37597 -0.08562 0.00637  0.01898  769 LEU A N   
1018 C CA  . LEU A 174 ? 0.60205 0.47386 0.34823 -0.09154 0.00772  0.01373  769 LEU A CA  
1019 C C   . LEU A 174 ? 0.73852 0.62013 0.46851 -0.11784 -0.00693 0.01981  769 LEU A C   
1020 O O   . LEU A 174 ? 0.75342 0.62055 0.46178 -0.12781 -0.01121 0.00899  769 LEU A O   
1021 C CB  . LEU A 174 ? 0.57078 0.47380 0.32447 -0.07766 0.01573  0.02404  769 LEU A CB  
1022 C CG  . LEU A 174 ? 0.58886 0.48030 0.35422 -0.05760 0.03130  0.01705  769 LEU A CG  
1023 C CD1 . LEU A 174 ? 0.59573 0.50602 0.36343 -0.04453 0.03278  0.03138  769 LEU A CD1 
1024 C CD2 . LEU A 174 ? 0.64412 0.51097 0.39332 -0.06113 0.04250  -0.00767 769 LEU A CD2 
1025 N N   . LYS A 175 ? 0.79392 0.70573 0.53396 -0.13237 -0.01375 0.03418  770 LYS A N   
1026 C CA  . LYS A 175 ? 0.83626 0.76666 0.56340 -0.16292 -0.02646 0.03732  770 LYS A CA  
1027 C C   . LYS A 175 ? 0.88570 0.75536 0.58100 -0.18575 -0.03859 0.02876  770 LYS A C   
1028 O O   . LYS A 175 ? 0.97456 0.85036 0.65358 -0.21465 -0.04994 0.02933  770 LYS A O   
1029 C CB  . LYS A 175 ? 0.84134 0.83120 0.58860 -0.17880 -0.02783 0.04879  770 LYS A CB  
1030 C CG  . LYS A 175 ? 0.83421 0.89985 0.60584 -0.16877 -0.03130 0.04883  770 LYS A CG  
1031 C CD  . LYS A 175 ? 0.83699 0.92098 0.63219 -0.12958 -0.02510 0.05111  770 LYS A CD  
1032 C CE  . LYS A 175 ? 0.83303 0.87819 0.60861 -0.10758 -0.02497 0.04924  770 LYS A CE  
1033 N NZ  . LYS A 175 ? 0.88295 0.95099 0.64601 -0.10771 -0.04112 0.04710  770 LYS A NZ  
1034 N N   . ASN A 176 ? 0.95651 0.76659 0.64202 -0.17178 -0.04018 0.01770  771 ASN A N   
1035 C CA  . ASN A 176 ? 0.99329 0.73411 0.64513 -0.18455 -0.05937 0.00360  771 ASN A CA  
1036 C C   . ASN A 176 ? 1.06259 0.79299 0.70475 -0.17673 -0.06057 -0.01935 771 ASN A C   
1037 O O   . ASN A 176 ? 1.12950 0.80914 0.74367 -0.18812 -0.07988 -0.03402 771 ASN A O   
1038 C CB  . ASN A 176 ? 1.09208 0.77192 0.73730 -0.16519 -0.06791 -0.00637 771 ASN A CB  
1039 C CG  . ASN A 176 ? 1.19481 0.81669 0.80181 -0.19473 -0.09098 0.00685  771 ASN A CG  
1040 O OD1 . ASN A 176 ? 1.23233 0.88068 0.82768 -0.23317 -0.09129 0.02772  771 ASN A OD1 
1041 N ND2 . ASN A 176 ? 1.24902 0.79089 0.83248 -0.17870 -0.11253 -0.00758 771 ASN A ND2 
1042 N N   . TYR A 177 ? 0.96320 0.73525 0.62152 -0.15974 -0.04233 -0.02365 772 TYR A N   
1043 C CA  . TYR A 177 ? 0.97606 0.74522 0.61968 -0.15718 -0.03957 -0.04581 772 TYR A CA  
1044 C C   . TYR A 177 ? 1.00424 0.81127 0.63735 -0.17619 -0.04209 -0.03162 772 TYR A C   
1045 O O   . TYR A 177 ? 0.94357 0.79025 0.58508 -0.16914 -0.03265 -0.01750 772 TYR A O   
1046 C CB  . TYR A 177 ? 0.88614 0.66943 0.54196 -0.13379 -0.01815 -0.06159 772 TYR A CB  
1047 C CG  . TYR A 177 ? 0.91189 0.66508 0.58244 -0.11171 -0.01841 -0.08533 772 TYR A CG  
1048 C CD1 . TYR A 177 ? 0.88312 0.63187 0.57394 -0.09915 -0.01728 -0.07118 772 TYR A CD1 
1049 C CD2 . TYR A 177 ? 0.89630 0.62917 0.56165 -0.10091 -0.02258 -0.12638 772 TYR A CD2 
1050 C CE1 . TYR A 177 ? 0.84474 0.56420 0.54778 -0.07593 -0.02210 -0.09475 772 TYR A CE1 
1051 C CE2 . TYR A 177 ? 0.86766 0.57720 0.55029 -0.07478 -0.02841 -0.15488 772 TYR A CE2 
1052 C CZ  . TYR A 177 ? 0.87292 0.57289 0.57304 -0.06217 -0.02920 -0.13767 772 TYR A CZ  
1053 O OH  . TYR A 177 ? 0.91147 0.58660 0.62753 -0.03322 -0.03919 -0.16786 772 TYR A OH  
1054 N N   . GLU A 178 ? 1.03722 0.82704 0.64935 -0.19903 -0.05924 -0.03685 773 GLU A N   
1055 C CA  . GLU A 178 ? 1.03606 0.86074 0.63691 -0.21562 -0.06482 -0.03036 773 GLU A CA  
1056 C C   . GLU A 178 ? 1.01242 0.85278 0.60145 -0.20168 -0.05224 -0.03753 773 GLU A C   
1057 O O   . GLU A 178 ? 1.03815 0.85620 0.61620 -0.19253 -0.04238 -0.06028 773 GLU A O   
1058 C CB  . GLU A 178 ? 1.04826 0.84147 0.62346 -0.24046 -0.08419 -0.04319 773 GLU A CB  
1059 C CG  . GLU A 178 ? 1.16293 0.90790 0.72933 -0.25824 -0.10014 -0.04092 773 GLU A CG  
1060 C CD  . GLU A 178 ? 1.26460 0.95792 0.79713 -0.27909 -0.12311 -0.05827 773 GLU A CD  
1061 O OE1 . GLU A 178 ? 1.24373 0.95934 0.76605 -0.28901 -0.12626 -0.06585 773 GLU A OE1 
1062 O OE2 . GLU A 178 ? 1.36710 0.99067 0.87863 -0.28455 -0.14164 -0.06498 773 GLU A OE2 
1063 N N   . ASP A 179 ? 0.90120 0.78046 0.48883 -0.20146 -0.05472 -0.02065 774 ASP A N   
1064 C CA  . ASP A 179 ? 0.83767 0.71823 0.39866 -0.19346 -0.04693 -0.02171 774 ASP A CA  
1065 C C   . ASP A 179 ? 0.87124 0.73333 0.39625 -0.20764 -0.04796 -0.04321 774 ASP A C   
1066 O O   . ASP A 179 ? 0.82718 0.68062 0.32411 -0.20732 -0.03409 -0.05309 774 ASP A O   
1067 C CB  . ASP A 179 ? 0.84077 0.75408 0.39852 -0.18759 -0.06090 -0.00147 774 ASP A CB  
1068 C CG  . ASP A 179 ? 0.81934 0.75535 0.41086 -0.16779 -0.05905 0.01446  774 ASP A CG  
1069 O OD1 . ASP A 179 ? 0.68897 0.61133 0.30013 -0.15895 -0.04291 0.01346  774 ASP A OD1 
1070 O OD2 . ASP A 179 ? 0.89198 0.86231 0.49100 -0.15828 -0.07652 0.02452  774 ASP A OD2 
1071 N N   . TYR A 180 ? 0.82634 0.68338 0.34819 -0.22384 -0.06369 -0.05213 775 TYR A N   
1072 C CA  . TYR A 180 ? 0.87110 0.71407 0.35925 -0.23649 -0.06775 -0.07465 775 TYR A CA  
1073 C C   . TYR A 180 ? 0.91110 0.71875 0.40383 -0.24077 -0.07493 -0.10103 775 TYR A C   
1074 O O   . TYR A 180 ? 0.92767 0.72033 0.39997 -0.24225 -0.07397 -0.13113 775 TYR A O   
1075 C CB  . TYR A 180 ? 0.89352 0.75899 0.36393 -0.25128 -0.08749 -0.06434 775 TYR A CB  
1076 C CG  . TYR A 180 ? 0.89181 0.77947 0.34600 -0.24202 -0.09047 -0.04384 775 TYR A CG  
1077 C CD1 . TYR A 180 ? 0.92995 0.84502 0.41413 -0.22795 -0.09633 -0.02262 775 TYR A CD1 
1078 C CD2 . TYR A 180 ? 0.93496 0.81141 0.33810 -0.24717 -0.09065 -0.04750 775 TYR A CD2 
1079 C CE1 . TYR A 180 ? 0.86711 0.79189 0.33269 -0.21364 -0.10733 -0.00717 775 TYR A CE1 
1080 C CE2 . TYR A 180 ? 0.95196 0.83014 0.32717 -0.23833 -0.10132 -0.02725 775 TYR A CE2 
1081 C CZ  . TYR A 180 ? 0.91875 0.81809 0.32647 -0.21864 -0.11203 -0.00785 775 TYR A CZ  
1082 O OH  . TYR A 180 ? 0.95121 0.84279 0.32832 -0.20396 -0.13064 0.00913  775 TYR A OH  
1083 O OXT . TYR A 180 ? 0.96914 0.75874 0.48187 -0.24288 -0.08469 -0.09422 775 TYR A OXT 
# 
