data_9HSJ
# 
_entry.id   9HSJ 
# 
_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   9HSJ         pdb_00009hsj 10.2210/pdb9hsj/pdb 
WWPDB D_1292144105 ?            ?                   
# 
_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                        9HSJ 
_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_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with piperidin-3-ol
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'choline-phosphate cytidylyltransferase' 20646.949 1   2.7.7.15 ? ? ? 
2 non-polymer syn '(3~{R})-piperidin-3-ol'                 101.147   2   ?        ? ? ? 
3 water       nat water                                    18.015    142 ?        ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(3~{R})-piperidin-3-ol' A1IWV 
3 water                    HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IWV non-polymer         . '(3~{R})-piperidin-3-ol' ? 'C5 H11 N O'     101.147 
ALA   'L-peptide linking' y ALANINE                  ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                 ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE               ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'          ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                 ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE                ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'          ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                  ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                    ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE               ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                  ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                   ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE               ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE            ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                  ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                   ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE                ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN               ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                 ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                   ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 729 ?   ?   ?   A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 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 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IWV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IWV 
_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 A1IWV 1   801  819 A1IWV LIG A . 
C 2 A1IWV 1   802  820 A1IWV LIG A . 
D 3 HOH   1   901  11  HOH   HOH A . 
D 3 HOH   2   902  123 HOH   HOH A . 
D 3 HOH   3   903  124 HOH   HOH A . 
D 3 HOH   4   904  115 HOH   HOH A . 
D 3 HOH   5   905  20  HOH   HOH A . 
D 3 HOH   6   906  41  HOH   HOH A . 
D 3 HOH   7   907  94  HOH   HOH A . 
D 3 HOH   8   908  42  HOH   HOH A . 
D 3 HOH   9   909  52  HOH   HOH A . 
D 3 HOH   10  910  92  HOH   HOH A . 
D 3 HOH   11  911  138 HOH   HOH A . 
D 3 HOH   12  912  155 HOH   HOH A . 
D 3 HOH   13  913  53  HOH   HOH A . 
D 3 HOH   14  914  57  HOH   HOH A . 
D 3 HOH   15  915  55  HOH   HOH A . 
D 3 HOH   16  916  19  HOH   HOH A . 
D 3 HOH   17  917  146 HOH   HOH A . 
D 3 HOH   18  918  89  HOH   HOH A . 
D 3 HOH   19  919  101 HOH   HOH A . 
D 3 HOH   20  920  85  HOH   HOH A . 
D 3 HOH   21  921  27  HOH   HOH A . 
D 3 HOH   22  922  29  HOH   HOH A . 
D 3 HOH   23  923  86  HOH   HOH A . 
D 3 HOH   24  924  14  HOH   HOH A . 
D 3 HOH   25  925  113 HOH   HOH A . 
D 3 HOH   26  926  58  HOH   HOH A . 
D 3 HOH   27  927  3   HOH   HOH A . 
D 3 HOH   28  928  46  HOH   HOH A . 
D 3 HOH   29  929  67  HOH   HOH A . 
D 3 HOH   30  930  37  HOH   HOH A . 
D 3 HOH   31  931  79  HOH   HOH A . 
D 3 HOH   32  932  117 HOH   HOH A . 
D 3 HOH   33  933  7   HOH   HOH A . 
D 3 HOH   34  934  91  HOH   HOH A . 
D 3 HOH   35  935  74  HOH   HOH A . 
D 3 HOH   36  936  129 HOH   HOH A . 
D 3 HOH   37  937  9   HOH   HOH A . 
D 3 HOH   38  938  4   HOH   HOH A . 
D 3 HOH   39  939  140 HOH   HOH A . 
D 3 HOH   40  940  35  HOH   HOH A . 
D 3 HOH   41  941  38  HOH   HOH A . 
D 3 HOH   42  942  36  HOH   HOH A . 
D 3 HOH   43  943  30  HOH   HOH A . 
D 3 HOH   44  944  1   HOH   HOH A . 
D 3 HOH   45  945  25  HOH   HOH A . 
D 3 HOH   46  946  148 HOH   HOH A . 
D 3 HOH   47  947  48  HOH   HOH A . 
D 3 HOH   48  948  145 HOH   HOH A . 
D 3 HOH   49  949  77  HOH   HOH A . 
D 3 HOH   50  950  10  HOH   HOH A . 
D 3 HOH   51  951  28  HOH   HOH A . 
D 3 HOH   52  952  13  HOH   HOH A . 
D 3 HOH   53  953  2   HOH   HOH A . 
D 3 HOH   54  954  64  HOH   HOH A . 
D 3 HOH   55  955  118 HOH   HOH A . 
D 3 HOH   56  956  33  HOH   HOH A . 
D 3 HOH   57  957  45  HOH   HOH A . 
D 3 HOH   58  958  127 HOH   HOH A . 
D 3 HOH   59  959  44  HOH   HOH A . 
D 3 HOH   60  960  15  HOH   HOH A . 
D 3 HOH   61  961  54  HOH   HOH A . 
D 3 HOH   62  962  69  HOH   HOH A . 
D 3 HOH   63  963  5   HOH   HOH A . 
D 3 HOH   64  964  112 HOH   HOH A . 
D 3 HOH   65  965  6   HOH   HOH A . 
D 3 HOH   66  966  17  HOH   HOH A . 
D 3 HOH   67  967  88  HOH   HOH A . 
D 3 HOH   68  968  51  HOH   HOH A . 
D 3 HOH   69  969  110 HOH   HOH A . 
D 3 HOH   70  970  8   HOH   HOH A . 
D 3 HOH   71  971  34  HOH   HOH A . 
D 3 HOH   72  972  137 HOH   HOH A . 
D 3 HOH   73  973  31  HOH   HOH A . 
D 3 HOH   74  974  132 HOH   HOH A . 
D 3 HOH   75  975  80  HOH   HOH A . 
D 3 HOH   76  976  18  HOH   HOH A . 
D 3 HOH   77  977  32  HOH   HOH A . 
D 3 HOH   78  978  81  HOH   HOH A . 
D 3 HOH   79  979  102 HOH   HOH A . 
D 3 HOH   80  980  111 HOH   HOH A . 
D 3 HOH   81  981  22  HOH   HOH A . 
D 3 HOH   82  982  47  HOH   HOH A . 
D 3 HOH   83  983  96  HOH   HOH A . 
D 3 HOH   84  984  49  HOH   HOH A . 
D 3 HOH   85  985  109 HOH   HOH A . 
D 3 HOH   86  986  16  HOH   HOH A . 
D 3 HOH   87  987  93  HOH   HOH A . 
D 3 HOH   88  988  149 HOH   HOH A . 
D 3 HOH   89  989  50  HOH   HOH A . 
D 3 HOH   90  990  95  HOH   HOH A . 
D 3 HOH   91  991  73  HOH   HOH A . 
D 3 HOH   92  992  66  HOH   HOH A . 
D 3 HOH   93  993  75  HOH   HOH A . 
D 3 HOH   94  994  99  HOH   HOH A . 
D 3 HOH   95  995  21  HOH   HOH A . 
D 3 HOH   96  996  70  HOH   HOH A . 
D 3 HOH   97  997  24  HOH   HOH A . 
D 3 HOH   98  998  121 HOH   HOH A . 
D 3 HOH   99  999  65  HOH   HOH A . 
D 3 HOH   100 1000 12  HOH   HOH A . 
D 3 HOH   101 1001 40  HOH   HOH A . 
D 3 HOH   102 1002 39  HOH   HOH A . 
D 3 HOH   103 1003 105 HOH   HOH A . 
D 3 HOH   104 1004 97  HOH   HOH A . 
D 3 HOH   105 1005 104 HOH   HOH A . 
D 3 HOH   106 1006 87  HOH   HOH A . 
D 3 HOH   107 1007 130 HOH   HOH A . 
D 3 HOH   108 1008 120 HOH   HOH A . 
D 3 HOH   109 1009 126 HOH   HOH A . 
D 3 HOH   110 1010 23  HOH   HOH A . 
D 3 HOH   111 1011 147 HOH   HOH A . 
D 3 HOH   112 1012 106 HOH   HOH A . 
D 3 HOH   113 1013 152 HOH   HOH A . 
D 3 HOH   114 1014 56  HOH   HOH A . 
D 3 HOH   115 1015 125 HOH   HOH A . 
D 3 HOH   116 1016 133 HOH   HOH A . 
D 3 HOH   117 1017 108 HOH   HOH A . 
D 3 HOH   118 1018 26  HOH   HOH A . 
D 3 HOH   119 1019 60  HOH   HOH A . 
D 3 HOH   120 1020 103 HOH   HOH A . 
D 3 HOH   121 1021 128 HOH   HOH A . 
D 3 HOH   122 1022 151 HOH   HOH A . 
D 3 HOH   123 1023 61  HOH   HOH A . 
D 3 HOH   124 1024 82  HOH   HOH A . 
D 3 HOH   125 1025 78  HOH   HOH A . 
D 3 HOH   126 1026 116 HOH   HOH A . 
D 3 HOH   127 1027 100 HOH   HOH A . 
D 3 HOH   128 1028 141 HOH   HOH A . 
D 3 HOH   129 1029 84  HOH   HOH A . 
D 3 HOH   130 1030 72  HOH   HOH A . 
D 3 HOH   131 1031 43  HOH   HOH A . 
D 3 HOH   132 1032 134 HOH   HOH A . 
D 3 HOH   133 1033 153 HOH   HOH A . 
D 3 HOH   134 1034 59  HOH   HOH A . 
D 3 HOH   135 1035 63  HOH   HOH A . 
D 3 HOH   136 1036 71  HOH   HOH A . 
D 3 HOH   137 1037 90  HOH   HOH A . 
D 3 HOH   138 1038 135 HOH   HOH A . 
D 3 HOH   139 1039 122 HOH   HOH A . 
D 3 HOH   140 1040 131 HOH   HOH A . 
D 3 HOH   141 1041 76  HOH   HOH A . 
D 3 HOH   142 1042 62  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A HIS 709 ? CG  ? A HIS 132 CG  
6  1 Y 1 A HIS 709 ? ND1 ? A HIS 132 ND1 
7  1 Y 1 A HIS 709 ? CD2 ? A HIS 132 CD2 
8  1 Y 1 A HIS 709 ? CE1 ? A HIS 132 CE1 
9  1 Y 1 A HIS 709 ? NE2 ? A HIS 132 NE2 
10 1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
11 1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
12 1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
13 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
14 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
15 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
16 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
17 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
18 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
19 1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
20 1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
21 1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
22 1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
23 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
24 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
25 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
26 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
# 
_software.citation_id            ? 
_software.classification         refinement 
_software.compiler_name          ? 
_software.compiler_version       ? 
_software.contact_author         ? 
_software.contact_author_email   ? 
_software.date                   ? 
_software.description            ? 
_software.dependencies           ? 
_software.hardware               ? 
_software.language               ? 
_software.location               ? 
_software.mods                   ? 
_software.name                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSJ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.392 
_cell.length_a_esd                 ? 
_cell.length_b                     69.051 
_cell.length_b_esd                 ? 
_cell.length_c                     118.892 
_cell.length_c_esd                 ? 
_cell.volume                       413698.077 
_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                         9HSJ 
_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                   9HSJ 
_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             2.50 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.89 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-12 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.965459 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          27.01 
_reflns.entry_id                                       9HSJ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.71 
_reflns.d_resolution_low                               59.71 
_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                                     37562 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.1 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.9 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.985 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    1.71 
_reflns_shell.d_res_low                                     1.74 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1127 
_reflns_shell.percent_possible_obs                          ? 
_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                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.264 
_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                                  ? 
_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                               33.02 
_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                                 9HSJ 
_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                            1.76 
_refine.ls_d_res_low                             59.71 
_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                     37562 
_refine.ls_number_reflns_R_free                  1819 
_refine.ls_number_reflns_R_work                  35743 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.38 
_refine.ls_percent_reflns_R_free                 4.84 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1910 
_refine.ls_R_factor_R_free                       0.2096 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1900 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 23.7789 
_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                            0.2272 
_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                       1.76 
_refine_hist.d_res_low                        59.71 
_refine_hist.number_atoms_solvent             142 
_refine_hist.number_atoms_total               1206 
_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        1050 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         14 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0075  ? 1084 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7680  ? 1467 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0553  ? 172  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0070  ? 179  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.8756 ? 403  ? 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' 1.76 1.81  . . 127 2836 96.77 . . . . 0.3115 . . . . . . . . . . . 0.3479 
'X-RAY DIFFRACTION' 1.81 1.86  . . 127 2828 95.76 . . . . 0.2953 . . . . . . . . . . . 0.3349 
'X-RAY DIFFRACTION' 1.86 1.92  . . 132 2802 96.01 . . . . 0.2835 . . . . . . . . . . . 0.2929 
'X-RAY DIFFRACTION' 1.92 1.99  . . 166 2681 93.25 . . . . 0.2389 . . . . . . . . . . . 0.2419 
'X-RAY DIFFRACTION' 1.99 2.07  . . 139 2817 97.14 . . . . 0.2250 . . . . . . . . . . . 0.2974 
'X-RAY DIFFRACTION' 2.07 2.16  . . 131 2814 96.27 . . . . 0.1982 . . . . . . . . . . . 0.2242 
'X-RAY DIFFRACTION' 2.16 2.28  . . 130 2798 95.10 . . . . 0.1975 . . . . . . . . . . . 0.2393 
'X-RAY DIFFRACTION' 2.28 2.42  . . 131 2676 92.18 . . . . 0.2092 . . . . . . . . . . . 0.2146 
'X-RAY DIFFRACTION' 2.42 2.61  . . 136 2788 95.71 . . . . 0.1895 . . . . . . . . . . . 0.2288 
'X-RAY DIFFRACTION' 2.61 2.87  . . 151 2711 93.71 . . . . 0.2010 . . . . . . . . . . . 0.2155 
'X-RAY DIFFRACTION' 2.87 3.28  . . 148 2693 92.24 . . . . 0.1788 . . . . . . . . . . . 0.1650 
'X-RAY DIFFRACTION' 3.29 4.14  . . 170 2636 92.45 . . . . 0.1556 . . . . . . . . . . . 0.1783 
'X-RAY DIFFRACTION' 4.14 59.71 . . 131 2663 90.48 . . . . 0.1631 . . . . . . . . . . . 0.1963 
# 
_struct.entry_id                     9HSJ 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with piperidin-3-ol
;
_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        9HSJ 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSJ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSJ GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSJ HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSJ MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSJ ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSJ ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSJ ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSJ ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSJ ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSJ ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSJ ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSJ ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSJ ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSJ ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSJ ?   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)' 2200  ? 
1 MORE         -9    ? 
1 'SSA (A^2)'  14280 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -69.0510000000 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  ? GLY A 87  ? SER A 655 GLY A 664 1 ? 10 
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       0.77 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O GLU A 108 ? O GLU A 685 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N HIS A 132 ? N HIS A 709 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSJ 
_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 O A HOH 901 ? ? O A HOH 911 ? ? 2.00 
2 1 O A HOH 987 ? ? O A HOH 994 ? ? 2.11 
# 
_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     1005 
_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     1008 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_545 
_pdbx_validate_symm_contact.dist              2.15 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ILE 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     740 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -58.88 
_pdbx_validate_torsion.psi             -7.03 
# 
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 -5.20606854292  -23.2453543541 -24.4268871088 0.159729981753 ? 0.0173978888755   ? 0.0369921961619 
? 0.16701471748  ? -0.0220468618122  ? 0.18546502893  ? 4.50629928165 ? -1.24595037646  ? 2.84342187744 ? 4.07217888618 ? 
-3.22879983224  ? 6.33267297332 ? -0.0119223794046  ? 0.209039561666   ? 0.143600972546   ? -0.0903739545428  ? -0.13660104432    
? 0.0488959452413  ? 0.235278568947   ? 0.0912676463619  ? 0.163141580652    ? 
2 'X-RAY DIFFRACTION' ? refined -8.97841435902  -30.2419899741 -23.2001462674 0.179897792717 ? 0.0205354155878   ? 0.03879818062 ? 
0.222150007034 ? -0.00954622437236 ? 0.263763329092 ? 8.93598235873 ? -2.46116724957  ? 4.45556882217 ? 8.22971765121 ? 
-4.90855172715  ? 4.02207023862 ? -0.00586898646597 ? -0.613541413921  ? -0.0952197655893 ? 0.482197579049    ? 0.316988965603    
? 0.711609453398   ? -0.0209791063404 ? -0.83491393288   ? -0.306872360086   ? 
3 'X-RAY DIFFRACTION' ? refined -0.519798577391 -21.2955534346 -21.428834166  0.198733068261 ? -0.00815229240887 ? 0.02358275151 ? 
0.185846813644 ? 0.00828156491681  ? 0.213366928678 ? 2.73712404622 ? -0.226631809763 ? 1.23460451011 ? 2.52609916744 ? 
-0.107329925652 ? 2.86550736253 ? -0.0602575213024  ? -0.0361326177197 ? 0.215629641636   ? 0.174328482239    ? 0.000452945889572 
? -0.0726990290571 ? -0.228450662899  ? 0.098628975374   ? 0.071182556521    ? 
4 'X-RAY DIFFRACTION' ? refined -8.58777965905  -12.7184649617 -29.1567408729 0.267820866244 ? 0.0127006116492   ? 
-0.0269950556656 ? 0.232450628901 ? 0.0522638890804   ? 0.264348211032 ? 9.49015142352 ? 0.287413878962  ? 1.28795710891 ? 
9.71679790203 ? 2.82590735404   ? 3.6737730673  ? 0.0446711571559   ? -0.0989294003551 ? 0.607285841856   ? 0.270407789174    ? 
-0.0942870040134  ? -0.0970899671864 ? -0.291248097808  ? -0.0218161288942 ? -0.00149740566139 ? 
5 'X-RAY DIFFRACTION' ? refined -16.9115445448  -12.54472812   -27.9063706884 0.218399331046 ? 0.0296929527417   ? 0.0317039412905 
? 0.304516915591 ? -0.030469645653   ? 0.334047750612 ? 5.0246168794  ? 0.248346977736  ? 3.18946899016 ? 4.76352300671 ? 
-0.451480609717 ? 5.03799350481 ? -0.118476154757   ? -0.150295101088  ? 0.426813518758   ? 0.112974565525    ? -0.0616783759934  
? 0.0237296415736  ? -0.340278241935  ? -0.0753146174549 ? -0.0993910287776  ? 
6 'X-RAY DIFFRACTION' ? refined -7.68119216964  -37.4249005453 -5.56416350668 0.283532568164 ? -0.0221308466477  ? 0.0613649258581 
? 0.329850996531 ? -0.00798181797346 ? 0.209244494918 ? 2.37994749566 ? -2.17049525798  ? 1.32995200721 ? 7.95604278282 ? 
-4.87645031335  ? 5.30351244729 ? 0.168822802982    ? 0.236129057491   ? 0.0532065355696  ? -0.00411177994555 ? 0.0751924204154   
? 0.224118940681   ? 0.0502113435316  ? -0.496224525757  ? -0.314390353304   ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 15  A 630 ? ? 
;chain 'A' and (resid 616 through 630 )
;
2 'X-RAY DIFFRACTION' 2 A 16  A 631 ? A 26  A 641 ? ? 
;chain 'A' and (resid 631 through 641 )
;
3 'X-RAY DIFFRACTION' 3 A 27  A 642 ? A 80  A 695 ? ? 
;chain 'A' and (resid 642 through 695 )
;
4 'X-RAY DIFFRACTION' 4 A 81  A 696 ? A 98  A 741 ? ? 
;chain 'A' and (resid 696 through 741 )
;
5 'X-RAY DIFFRACTION' 5 A 99  A 742 ? A 109 A 752 ? ? 
;chain 'A' and (resid 742 through 752 )
;
6 'X-RAY DIFFRACTION' 6 A 110 A 753 ? A 131 A 774 ? ? 
;chain 'A' and (resid 753 through 774 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ASP 729 ? A ASP 134 
40 1 Y 1 A ILE 730 ? A ILE 135 
41 1 Y 1 A PRO 731 ? A PRO 136 
42 1 Y 1 A TYR 732 ? A TYR 137 
43 1 Y 1 A ALA 733 ? A ALA 138 
44 1 Y 1 A ASN 734 ? A ASN 139 
45 1 Y 1 A ASN 735 ? A ASN 140 
46 1 Y 1 A GLN 736 ? A GLN 141 
47 1 Y 1 A LYS 737 ? A LYS 142 
48 1 Y 1 A GLU 738 ? A GLU 143 
# 
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 
A1IWV C02  C N R 1   
A1IWV C03  C N N 2   
A1IWV C04  C N N 3   
A1IWV C05  C N N 4   
A1IWV C07  C N N 5   
A1IWV N06  N N N 6   
A1IWV O01  O N N 7   
A1IWV H021 H N N 8   
A1IWV H031 H N N 9   
A1IWV H032 H N N 10  
A1IWV H041 H N N 11  
A1IWV H042 H N N 12  
A1IWV H051 H N N 13  
A1IWV H052 H N N 14  
A1IWV H071 H N N 15  
A1IWV H072 H N N 16  
A1IWV H061 H N N 17  
A1IWV H011 H N N 18  
ALA   N    N N N 19  
ALA   CA   C N S 20  
ALA   C    C N N 21  
ALA   O    O N N 22  
ALA   CB   C N N 23  
ALA   OXT  O N N 24  
ALA   H    H N N 25  
ALA   H2   H N N 26  
ALA   HA   H N N 27  
ALA   HB1  H N N 28  
ALA   HB2  H N N 29  
ALA   HB3  H N N 30  
ALA   HXT  H N N 31  
ARG   N    N N N 32  
ARG   CA   C N S 33  
ARG   C    C N N 34  
ARG   O    O N N 35  
ARG   CB   C N N 36  
ARG   CG   C N N 37  
ARG   CD   C N N 38  
ARG   NE   N N N 39  
ARG   CZ   C N N 40  
ARG   NH1  N N N 41  
ARG   NH2  N N N 42  
ARG   OXT  O N N 43  
ARG   H    H N N 44  
ARG   H2   H N N 45  
ARG   HA   H N N 46  
ARG   HB2  H N N 47  
ARG   HB3  H N N 48  
ARG   HG2  H N N 49  
ARG   HG3  H N N 50  
ARG   HD2  H N N 51  
ARG   HD3  H N N 52  
ARG   HE   H N N 53  
ARG   HH11 H N N 54  
ARG   HH12 H N N 55  
ARG   HH21 H N N 56  
ARG   HH22 H N N 57  
ARG   HXT  H N N 58  
ASN   N    N N N 59  
ASN   CA   C N S 60  
ASN   C    C N N 61  
ASN   O    O N N 62  
ASN   CB   C N N 63  
ASN   CG   C N N 64  
ASN   OD1  O N N 65  
ASN   ND2  N N N 66  
ASN   OXT  O N N 67  
ASN   H    H N N 68  
ASN   H2   H N N 69  
ASN   HA   H N N 70  
ASN   HB2  H N N 71  
ASN   HB3  H N N 72  
ASN   HD21 H N N 73  
ASN   HD22 H N N 74  
ASN   HXT  H N N 75  
ASP   N    N N N 76  
ASP   CA   C N S 77  
ASP   C    C N N 78  
ASP   O    O N N 79  
ASP   CB   C N N 80  
ASP   CG   C N N 81  
ASP   OD1  O N N 82  
ASP   OD2  O N N 83  
ASP   OXT  O N N 84  
ASP   H    H N N 85  
ASP   H2   H N N 86  
ASP   HA   H N N 87  
ASP   HB2  H N N 88  
ASP   HB3  H N N 89  
ASP   HD2  H N N 90  
ASP   HXT  H N N 91  
CYS   N    N N N 92  
CYS   CA   C N R 93  
CYS   C    C N N 94  
CYS   O    O N N 95  
CYS   CB   C N N 96  
CYS   SG   S N N 97  
CYS   OXT  O N N 98  
CYS   H    H N N 99  
CYS   H2   H N N 100 
CYS   HA   H N N 101 
CYS   HB2  H N N 102 
CYS   HB3  H N N 103 
CYS   HG   H N N 104 
CYS   HXT  H N N 105 
GLN   N    N N N 106 
GLN   CA   C N S 107 
GLN   C    C N N 108 
GLN   O    O N N 109 
GLN   CB   C N N 110 
GLN   CG   C N N 111 
GLN   CD   C N N 112 
GLN   OE1  O N N 113 
GLN   NE2  N N N 114 
GLN   OXT  O N N 115 
GLN   H    H N N 116 
GLN   H2   H N N 117 
GLN   HA   H N N 118 
GLN   HB2  H N N 119 
GLN   HB3  H N N 120 
GLN   HG2  H N N 121 
GLN   HG3  H N N 122 
GLN   HE21 H N N 123 
GLN   HE22 H N N 124 
GLN   HXT  H N N 125 
GLU   N    N N N 126 
GLU   CA   C N S 127 
GLU   C    C N N 128 
GLU   O    O N N 129 
GLU   CB   C N N 130 
GLU   CG   C N N 131 
GLU   CD   C N N 132 
GLU   OE1  O N N 133 
GLU   OE2  O N N 134 
GLU   OXT  O N N 135 
GLU   H    H N N 136 
GLU   H2   H N N 137 
GLU   HA   H N N 138 
GLU   HB2  H N N 139 
GLU   HB3  H N N 140 
GLU   HG2  H N N 141 
GLU   HG3  H N N 142 
GLU   HE2  H N N 143 
GLU   HXT  H N N 144 
GLY   N    N N N 145 
GLY   CA   C N N 146 
GLY   C    C N N 147 
GLY   O    O N N 148 
GLY   OXT  O N N 149 
GLY   H    H N N 150 
GLY   H2   H N N 151 
GLY   HA2  H N N 152 
GLY   HA3  H N N 153 
GLY   HXT  H N N 154 
HIS   N    N N N 155 
HIS   CA   C N S 156 
HIS   C    C N N 157 
HIS   O    O N N 158 
HIS   CB   C N N 159 
HIS   CG   C Y N 160 
HIS   ND1  N Y N 161 
HIS   CD2  C Y N 162 
HIS   CE1  C Y N 163 
HIS   NE2  N Y N 164 
HIS   OXT  O N N 165 
HIS   H    H N N 166 
HIS   H2   H N N 167 
HIS   HA   H N N 168 
HIS   HB2  H N N 169 
HIS   HB3  H N N 170 
HIS   HD1  H N N 171 
HIS   HD2  H N N 172 
HIS   HE1  H N N 173 
HIS   HE2  H N N 174 
HIS   HXT  H N N 175 
HOH   O    O N N 176 
HOH   H1   H N N 177 
HOH   H2   H N N 178 
ILE   N    N N N 179 
ILE   CA   C N S 180 
ILE   C    C N N 181 
ILE   O    O N N 182 
ILE   CB   C N S 183 
ILE   CG1  C N N 184 
ILE   CG2  C N N 185 
ILE   CD1  C N N 186 
ILE   OXT  O N N 187 
ILE   H    H N N 188 
ILE   H2   H N N 189 
ILE   HA   H N N 190 
ILE   HB   H N N 191 
ILE   HG12 H N N 192 
ILE   HG13 H N N 193 
ILE   HG21 H N N 194 
ILE   HG22 H N N 195 
ILE   HG23 H N N 196 
ILE   HD11 H N N 197 
ILE   HD12 H N N 198 
ILE   HD13 H N N 199 
ILE   HXT  H N N 200 
LEU   N    N N N 201 
LEU   CA   C N S 202 
LEU   C    C N N 203 
LEU   O    O N N 204 
LEU   CB   C N N 205 
LEU   CG   C N N 206 
LEU   CD1  C N N 207 
LEU   CD2  C N N 208 
LEU   OXT  O N N 209 
LEU   H    H N N 210 
LEU   H2   H N N 211 
LEU   HA   H N N 212 
LEU   HB2  H N N 213 
LEU   HB3  H N N 214 
LEU   HG   H N N 215 
LEU   HD11 H N N 216 
LEU   HD12 H N N 217 
LEU   HD13 H N N 218 
LEU   HD21 H N N 219 
LEU   HD22 H N N 220 
LEU   HD23 H N N 221 
LEU   HXT  H N N 222 
LYS   N    N N N 223 
LYS   CA   C N S 224 
LYS   C    C N N 225 
LYS   O    O N N 226 
LYS   CB   C N N 227 
LYS   CG   C N N 228 
LYS   CD   C N N 229 
LYS   CE   C N N 230 
LYS   NZ   N N N 231 
LYS   OXT  O N N 232 
LYS   H    H N N 233 
LYS   H2   H N N 234 
LYS   HA   H N N 235 
LYS   HB2  H N N 236 
LYS   HB3  H N N 237 
LYS   HG2  H N N 238 
LYS   HG3  H N N 239 
LYS   HD2  H N N 240 
LYS   HD3  H N N 241 
LYS   HE2  H N N 242 
LYS   HE3  H N N 243 
LYS   HZ1  H N N 244 
LYS   HZ2  H N N 245 
LYS   HZ3  H N N 246 
LYS   HXT  H N N 247 
MET   N    N N N 248 
MET   CA   C N S 249 
MET   C    C N N 250 
MET   O    O N N 251 
MET   CB   C N N 252 
MET   CG   C N N 253 
MET   SD   S N N 254 
MET   CE   C N N 255 
MET   OXT  O N N 256 
MET   H    H N N 257 
MET   H2   H N N 258 
MET   HA   H N N 259 
MET   HB2  H N N 260 
MET   HB3  H N N 261 
MET   HG2  H N N 262 
MET   HG3  H N N 263 
MET   HE1  H N N 264 
MET   HE2  H N N 265 
MET   HE3  H N N 266 
MET   HXT  H N N 267 
PHE   N    N N N 268 
PHE   CA   C N S 269 
PHE   C    C N N 270 
PHE   O    O N N 271 
PHE   CB   C N N 272 
PHE   CG   C Y N 273 
PHE   CD1  C Y N 274 
PHE   CD2  C Y N 275 
PHE   CE1  C Y N 276 
PHE   CE2  C Y N 277 
PHE   CZ   C Y N 278 
PHE   OXT  O N N 279 
PHE   H    H N N 280 
PHE   H2   H N N 281 
PHE   HA   H N N 282 
PHE   HB2  H N N 283 
PHE   HB3  H N N 284 
PHE   HD1  H N N 285 
PHE   HD2  H N N 286 
PHE   HE1  H N N 287 
PHE   HE2  H N N 288 
PHE   HZ   H N N 289 
PHE   HXT  H N N 290 
PRO   N    N N N 291 
PRO   CA   C N S 292 
PRO   C    C N N 293 
PRO   O    O N N 294 
PRO   CB   C N N 295 
PRO   CG   C N N 296 
PRO   CD   C N N 297 
PRO   OXT  O N N 298 
PRO   H    H N N 299 
PRO   HA   H N N 300 
PRO   HB2  H N N 301 
PRO   HB3  H N N 302 
PRO   HG2  H N N 303 
PRO   HG3  H N N 304 
PRO   HD2  H N N 305 
PRO   HD3  H N N 306 
PRO   HXT  H N N 307 
SER   N    N N N 308 
SER   CA   C N S 309 
SER   C    C N N 310 
SER   O    O N N 311 
SER   CB   C N N 312 
SER   OG   O N N 313 
SER   OXT  O N N 314 
SER   H    H N N 315 
SER   H2   H N N 316 
SER   HA   H N N 317 
SER   HB2  H N N 318 
SER   HB3  H N N 319 
SER   HG   H N N 320 
SER   HXT  H N N 321 
THR   N    N N N 322 
THR   CA   C N S 323 
THR   C    C N N 324 
THR   O    O N N 325 
THR   CB   C N R 326 
THR   OG1  O N N 327 
THR   CG2  C N N 328 
THR   OXT  O N N 329 
THR   H    H N N 330 
THR   H2   H N N 331 
THR   HA   H N N 332 
THR   HB   H N N 333 
THR   HG1  H N N 334 
THR   HG21 H N N 335 
THR   HG22 H N N 336 
THR   HG23 H N N 337 
THR   HXT  H N N 338 
TRP   N    N N N 339 
TRP   CA   C N S 340 
TRP   C    C N N 341 
TRP   O    O N N 342 
TRP   CB   C N N 343 
TRP   CG   C Y N 344 
TRP   CD1  C Y N 345 
TRP   CD2  C Y N 346 
TRP   NE1  N Y N 347 
TRP   CE2  C Y N 348 
TRP   CE3  C Y N 349 
TRP   CZ2  C Y N 350 
TRP   CZ3  C Y N 351 
TRP   CH2  C Y N 352 
TRP   OXT  O N N 353 
TRP   H    H N N 354 
TRP   H2   H N N 355 
TRP   HA   H N N 356 
TRP   HB2  H N N 357 
TRP   HB3  H N N 358 
TRP   HD1  H N N 359 
TRP   HE1  H N N 360 
TRP   HE3  H N N 361 
TRP   HZ2  H N N 362 
TRP   HZ3  H N N 363 
TRP   HH2  H N N 364 
TRP   HXT  H N N 365 
TYR   N    N N N 366 
TYR   CA   C N S 367 
TYR   C    C N N 368 
TYR   O    O N N 369 
TYR   CB   C N N 370 
TYR   CG   C Y N 371 
TYR   CD1  C Y N 372 
TYR   CD2  C Y N 373 
TYR   CE1  C Y N 374 
TYR   CE2  C Y N 375 
TYR   CZ   C Y N 376 
TYR   OH   O N N 377 
TYR   OXT  O N N 378 
TYR   H    H N N 379 
TYR   H2   H N N 380 
TYR   HA   H N N 381 
TYR   HB2  H N N 382 
TYR   HB3  H N N 383 
TYR   HD1  H N N 384 
TYR   HD2  H N N 385 
TYR   HE1  H N N 386 
TYR   HE2  H N N 387 
TYR   HH   H N N 388 
TYR   HXT  H N N 389 
VAL   N    N N N 390 
VAL   CA   C N S 391 
VAL   C    C N N 392 
VAL   O    O N N 393 
VAL   CB   C N N 394 
VAL   CG1  C N N 395 
VAL   CG2  C N N 396 
VAL   OXT  O N N 397 
VAL   H    H N N 398 
VAL   H2   H N N 399 
VAL   HA   H N N 400 
VAL   HB   H N N 401 
VAL   HG11 H N N 402 
VAL   HG12 H N N 403 
VAL   HG13 H N N 404 
VAL   HG21 H N N 405 
VAL   HG22 H N N 406 
VAL   HG23 H N N 407 
VAL   HXT  H N N 408 
# 
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 
A1IWV C02 O01  sing N N 1   
A1IWV C03 C02  sing N N 2   
A1IWV C04 C03  sing N N 3   
A1IWV C05 C04  sing N N 4   
A1IWV N06 C05  sing N N 5   
A1IWV C07 N06  sing N N 6   
A1IWV C02 C07  sing N N 7   
A1IWV C02 H021 sing N N 8   
A1IWV C03 H031 sing N N 9   
A1IWV C03 H032 sing N N 10  
A1IWV C04 H041 sing N N 11  
A1IWV C04 H042 sing N N 12  
A1IWV C05 H051 sing N N 13  
A1IWV C05 H052 sing N N 14  
A1IWV C07 H071 sing N N 15  
A1IWV C07 H072 sing N N 16  
A1IWV N06 H061 sing N N 17  
A1IWV O01 H011 sing N N 18  
ALA   N   CA   sing N N 19  
ALA   N   H    sing N N 20  
ALA   N   H2   sing N N 21  
ALA   CA  C    sing N N 22  
ALA   CA  CB   sing N N 23  
ALA   CA  HA   sing N N 24  
ALA   C   O    doub N N 25  
ALA   C   OXT  sing N N 26  
ALA   CB  HB1  sing N N 27  
ALA   CB  HB2  sing N N 28  
ALA   CB  HB3  sing N N 29  
ALA   OXT HXT  sing N N 30  
ARG   N   CA   sing N N 31  
ARG   N   H    sing N N 32  
ARG   N   H2   sing N N 33  
ARG   CA  C    sing N N 34  
ARG   CA  CB   sing N N 35  
ARG   CA  HA   sing N N 36  
ARG   C   O    doub N N 37  
ARG   C   OXT  sing N N 38  
ARG   CB  CG   sing N N 39  
ARG   CB  HB2  sing N N 40  
ARG   CB  HB3  sing N N 41  
ARG   CG  CD   sing N N 42  
ARG   CG  HG2  sing N N 43  
ARG   CG  HG3  sing N N 44  
ARG   CD  NE   sing N N 45  
ARG   CD  HD2  sing N N 46  
ARG   CD  HD3  sing N N 47  
ARG   NE  CZ   sing N N 48  
ARG   NE  HE   sing N N 49  
ARG   CZ  NH1  sing N N 50  
ARG   CZ  NH2  doub N N 51  
ARG   NH1 HH11 sing N N 52  
ARG   NH1 HH12 sing N N 53  
ARG   NH2 HH21 sing N N 54  
ARG   NH2 HH22 sing N N 55  
ARG   OXT HXT  sing N N 56  
ASN   N   CA   sing N N 57  
ASN   N   H    sing N N 58  
ASN   N   H2   sing N N 59  
ASN   CA  C    sing N N 60  
ASN   CA  CB   sing N N 61  
ASN   CA  HA   sing N N 62  
ASN   C   O    doub N N 63  
ASN   C   OXT  sing N N 64  
ASN   CB  CG   sing N N 65  
ASN   CB  HB2  sing N N 66  
ASN   CB  HB3  sing N N 67  
ASN   CG  OD1  doub N N 68  
ASN   CG  ND2  sing N N 69  
ASN   ND2 HD21 sing N N 70  
ASN   ND2 HD22 sing N N 71  
ASN   OXT HXT  sing N N 72  
ASP   N   CA   sing N N 73  
ASP   N   H    sing N N 74  
ASP   N   H2   sing N N 75  
ASP   CA  C    sing N N 76  
ASP   CA  CB   sing N N 77  
ASP   CA  HA   sing N N 78  
ASP   C   O    doub N N 79  
ASP   C   OXT  sing N N 80  
ASP   CB  CG   sing N N 81  
ASP   CB  HB2  sing N N 82  
ASP   CB  HB3  sing N N 83  
ASP   CG  OD1  doub N N 84  
ASP   CG  OD2  sing N N 85  
ASP   OD2 HD2  sing N N 86  
ASP   OXT HXT  sing N N 87  
CYS   N   CA   sing N N 88  
CYS   N   H    sing N N 89  
CYS   N   H2   sing N N 90  
CYS   CA  C    sing N N 91  
CYS   CA  CB   sing N N 92  
CYS   CA  HA   sing N N 93  
CYS   C   O    doub N N 94  
CYS   C   OXT  sing N N 95  
CYS   CB  SG   sing N N 96  
CYS   CB  HB2  sing N N 97  
CYS   CB  HB3  sing N N 98  
CYS   SG  HG   sing N N 99  
CYS   OXT HXT  sing N N 100 
GLN   N   CA   sing N N 101 
GLN   N   H    sing N N 102 
GLN   N   H2   sing N N 103 
GLN   CA  C    sing N N 104 
GLN   CA  CB   sing N N 105 
GLN   CA  HA   sing N N 106 
GLN   C   O    doub N N 107 
GLN   C   OXT  sing N N 108 
GLN   CB  CG   sing N N 109 
GLN   CB  HB2  sing N N 110 
GLN   CB  HB3  sing N N 111 
GLN   CG  CD   sing N N 112 
GLN   CG  HG2  sing N N 113 
GLN   CG  HG3  sing N N 114 
GLN   CD  OE1  doub N N 115 
GLN   CD  NE2  sing N N 116 
GLN   NE2 HE21 sing N N 117 
GLN   NE2 HE22 sing N N 118 
GLN   OXT HXT  sing N N 119 
GLU   N   CA   sing N N 120 
GLU   N   H    sing N N 121 
GLU   N   H2   sing N N 122 
GLU   CA  C    sing N N 123 
GLU   CA  CB   sing N N 124 
GLU   CA  HA   sing N N 125 
GLU   C   O    doub N N 126 
GLU   C   OXT  sing N N 127 
GLU   CB  CG   sing N N 128 
GLU   CB  HB2  sing N N 129 
GLU   CB  HB3  sing N N 130 
GLU   CG  CD   sing N N 131 
GLU   CG  HG2  sing N N 132 
GLU   CG  HG3  sing N N 133 
GLU   CD  OE1  doub N N 134 
GLU   CD  OE2  sing N N 135 
GLU   OE2 HE2  sing N N 136 
GLU   OXT HXT  sing N N 137 
GLY   N   CA   sing N N 138 
GLY   N   H    sing N N 139 
GLY   N   H2   sing N N 140 
GLY   CA  C    sing N N 141 
GLY   CA  HA2  sing N N 142 
GLY   CA  HA3  sing N N 143 
GLY   C   O    doub N N 144 
GLY   C   OXT  sing N N 145 
GLY   OXT HXT  sing N N 146 
HIS   N   CA   sing N N 147 
HIS   N   H    sing N N 148 
HIS   N   H2   sing N N 149 
HIS   CA  C    sing N N 150 
HIS   CA  CB   sing N N 151 
HIS   CA  HA   sing N N 152 
HIS   C   O    doub N N 153 
HIS   C   OXT  sing N N 154 
HIS   CB  CG   sing N N 155 
HIS   CB  HB2  sing N N 156 
HIS   CB  HB3  sing N N 157 
HIS   CG  ND1  sing Y N 158 
HIS   CG  CD2  doub Y N 159 
HIS   ND1 CE1  doub Y N 160 
HIS   ND1 HD1  sing N N 161 
HIS   CD2 NE2  sing Y N 162 
HIS   CD2 HD2  sing N N 163 
HIS   CE1 NE2  sing Y N 164 
HIS   CE1 HE1  sing N N 165 
HIS   NE2 HE2  sing N N 166 
HIS   OXT HXT  sing N N 167 
HOH   O   H1   sing N N 168 
HOH   O   H2   sing N N 169 
ILE   N   CA   sing N N 170 
ILE   N   H    sing N N 171 
ILE   N   H2   sing N N 172 
ILE   CA  C    sing N N 173 
ILE   CA  CB   sing N N 174 
ILE   CA  HA   sing N N 175 
ILE   C   O    doub N N 176 
ILE   C   OXT  sing N N 177 
ILE   CB  CG1  sing N N 178 
ILE   CB  CG2  sing N N 179 
ILE   CB  HB   sing N N 180 
ILE   CG1 CD1  sing N N 181 
ILE   CG1 HG12 sing N N 182 
ILE   CG1 HG13 sing N N 183 
ILE   CG2 HG21 sing N N 184 
ILE   CG2 HG22 sing N N 185 
ILE   CG2 HG23 sing N N 186 
ILE   CD1 HD11 sing N N 187 
ILE   CD1 HD12 sing N N 188 
ILE   CD1 HD13 sing N N 189 
ILE   OXT HXT  sing N N 190 
LEU   N   CA   sing N N 191 
LEU   N   H    sing N N 192 
LEU   N   H2   sing N N 193 
LEU   CA  C    sing N N 194 
LEU   CA  CB   sing N N 195 
LEU   CA  HA   sing N N 196 
LEU   C   O    doub N N 197 
LEU   C   OXT  sing N N 198 
LEU   CB  CG   sing N N 199 
LEU   CB  HB2  sing N N 200 
LEU   CB  HB3  sing N N 201 
LEU   CG  CD1  sing N N 202 
LEU   CG  CD2  sing N N 203 
LEU   CG  HG   sing N N 204 
LEU   CD1 HD11 sing N N 205 
LEU   CD1 HD12 sing N N 206 
LEU   CD1 HD13 sing N N 207 
LEU   CD2 HD21 sing N N 208 
LEU   CD2 HD22 sing N N 209 
LEU   CD2 HD23 sing N N 210 
LEU   OXT HXT  sing N N 211 
LYS   N   CA   sing N N 212 
LYS   N   H    sing N N 213 
LYS   N   H2   sing N N 214 
LYS   CA  C    sing N N 215 
LYS   CA  CB   sing N N 216 
LYS   CA  HA   sing N N 217 
LYS   C   O    doub N N 218 
LYS   C   OXT  sing N N 219 
LYS   CB  CG   sing N N 220 
LYS   CB  HB2  sing N N 221 
LYS   CB  HB3  sing N N 222 
LYS   CG  CD   sing N N 223 
LYS   CG  HG2  sing N N 224 
LYS   CG  HG3  sing N N 225 
LYS   CD  CE   sing N N 226 
LYS   CD  HD2  sing N N 227 
LYS   CD  HD3  sing N N 228 
LYS   CE  NZ   sing N N 229 
LYS   CE  HE2  sing N N 230 
LYS   CE  HE3  sing N N 231 
LYS   NZ  HZ1  sing N N 232 
LYS   NZ  HZ2  sing N N 233 
LYS   NZ  HZ3  sing N N 234 
LYS   OXT HXT  sing N N 235 
MET   N   CA   sing N N 236 
MET   N   H    sing N N 237 
MET   N   H2   sing N N 238 
MET   CA  C    sing N N 239 
MET   CA  CB   sing N N 240 
MET   CA  HA   sing N N 241 
MET   C   O    doub N N 242 
MET   C   OXT  sing N N 243 
MET   CB  CG   sing N N 244 
MET   CB  HB2  sing N N 245 
MET   CB  HB3  sing N N 246 
MET   CG  SD   sing N N 247 
MET   CG  HG2  sing N N 248 
MET   CG  HG3  sing N N 249 
MET   SD  CE   sing N N 250 
MET   CE  HE1  sing N N 251 
MET   CE  HE2  sing N N 252 
MET   CE  HE3  sing N N 253 
MET   OXT HXT  sing N N 254 
PHE   N   CA   sing N N 255 
PHE   N   H    sing N N 256 
PHE   N   H2   sing N N 257 
PHE   CA  C    sing N N 258 
PHE   CA  CB   sing N N 259 
PHE   CA  HA   sing N N 260 
PHE   C   O    doub N N 261 
PHE   C   OXT  sing N N 262 
PHE   CB  CG   sing N N 263 
PHE   CB  HB2  sing N N 264 
PHE   CB  HB3  sing N N 265 
PHE   CG  CD1  doub Y N 266 
PHE   CG  CD2  sing Y N 267 
PHE   CD1 CE1  sing Y N 268 
PHE   CD1 HD1  sing N N 269 
PHE   CD2 CE2  doub Y N 270 
PHE   CD2 HD2  sing N N 271 
PHE   CE1 CZ   doub Y N 272 
PHE   CE1 HE1  sing N N 273 
PHE   CE2 CZ   sing Y N 274 
PHE   CE2 HE2  sing N N 275 
PHE   CZ  HZ   sing N N 276 
PHE   OXT HXT  sing N N 277 
PRO   N   CA   sing N N 278 
PRO   N   CD   sing N N 279 
PRO   N   H    sing N N 280 
PRO   CA  C    sing N N 281 
PRO   CA  CB   sing N N 282 
PRO   CA  HA   sing N N 283 
PRO   C   O    doub N N 284 
PRO   C   OXT  sing N N 285 
PRO   CB  CG   sing N N 286 
PRO   CB  HB2  sing N N 287 
PRO   CB  HB3  sing N N 288 
PRO   CG  CD   sing N N 289 
PRO   CG  HG2  sing N N 290 
PRO   CG  HG3  sing N N 291 
PRO   CD  HD2  sing N N 292 
PRO   CD  HD3  sing N N 293 
PRO   OXT HXT  sing N N 294 
SER   N   CA   sing N N 295 
SER   N   H    sing N N 296 
SER   N   H2   sing N N 297 
SER   CA  C    sing N N 298 
SER   CA  CB   sing N N 299 
SER   CA  HA   sing N N 300 
SER   C   O    doub N N 301 
SER   C   OXT  sing N N 302 
SER   CB  OG   sing N N 303 
SER   CB  HB2  sing N N 304 
SER   CB  HB3  sing N N 305 
SER   OG  HG   sing N N 306 
SER   OXT HXT  sing N N 307 
THR   N   CA   sing N N 308 
THR   N   H    sing N N 309 
THR   N   H2   sing N N 310 
THR   CA  C    sing N N 311 
THR   CA  CB   sing N N 312 
THR   CA  HA   sing N N 313 
THR   C   O    doub N N 314 
THR   C   OXT  sing N N 315 
THR   CB  OG1  sing N N 316 
THR   CB  CG2  sing N N 317 
THR   CB  HB   sing N N 318 
THR   OG1 HG1  sing N N 319 
THR   CG2 HG21 sing N N 320 
THR   CG2 HG22 sing N N 321 
THR   CG2 HG23 sing N N 322 
THR   OXT HXT  sing N N 323 
TRP   N   CA   sing N N 324 
TRP   N   H    sing N N 325 
TRP   N   H2   sing N N 326 
TRP   CA  C    sing N N 327 
TRP   CA  CB   sing N N 328 
TRP   CA  HA   sing N N 329 
TRP   C   O    doub N N 330 
TRP   C   OXT  sing N N 331 
TRP   CB  CG   sing N N 332 
TRP   CB  HB2  sing N N 333 
TRP   CB  HB3  sing N N 334 
TRP   CG  CD1  doub Y N 335 
TRP   CG  CD2  sing Y N 336 
TRP   CD1 NE1  sing Y N 337 
TRP   CD1 HD1  sing N N 338 
TRP   CD2 CE2  doub Y N 339 
TRP   CD2 CE3  sing Y N 340 
TRP   NE1 CE2  sing Y N 341 
TRP   NE1 HE1  sing N N 342 
TRP   CE2 CZ2  sing Y N 343 
TRP   CE3 CZ3  doub Y N 344 
TRP   CE3 HE3  sing N N 345 
TRP   CZ2 CH2  doub Y N 346 
TRP   CZ2 HZ2  sing N N 347 
TRP   CZ3 CH2  sing Y N 348 
TRP   CZ3 HZ3  sing N N 349 
TRP   CH2 HH2  sing N N 350 
TRP   OXT HXT  sing N N 351 
TYR   N   CA   sing N N 352 
TYR   N   H    sing N N 353 
TYR   N   H2   sing N N 354 
TYR   CA  C    sing N N 355 
TYR   CA  CB   sing N N 356 
TYR   CA  HA   sing N N 357 
TYR   C   O    doub N N 358 
TYR   C   OXT  sing N N 359 
TYR   CB  CG   sing N N 360 
TYR   CB  HB2  sing N N 361 
TYR   CB  HB3  sing N N 362 
TYR   CG  CD1  doub Y N 363 
TYR   CG  CD2  sing Y N 364 
TYR   CD1 CE1  sing Y N 365 
TYR   CD1 HD1  sing N N 366 
TYR   CD2 CE2  doub Y N 367 
TYR   CD2 HD2  sing N N 368 
TYR   CE1 CZ   doub Y N 369 
TYR   CE1 HE1  sing N N 370 
TYR   CE2 CZ   sing Y N 371 
TYR   CE2 HE2  sing N N 372 
TYR   CZ  OH   sing N N 373 
TYR   OH  HH   sing N N 374 
TYR   OXT HXT  sing N N 375 
VAL   N   CA   sing N N 376 
VAL   N   H    sing N N 377 
VAL   N   H2   sing N N 378 
VAL   CA  C    sing N N 379 
VAL   CA  CB   sing N N 380 
VAL   CA  HA   sing N N 381 
VAL   C   O    doub N N 382 
VAL   C   OXT  sing N N 383 
VAL   CB  CG1  sing N N 384 
VAL   CB  CG2  sing N N 385 
VAL   CB  HB   sing N N 386 
VAL   CG1 HG11 sing N N 387 
VAL   CG1 HG12 sing N N 388 
VAL   CG1 HG13 sing N N 389 
VAL   CG2 HG21 sing N N 390 
VAL   CG2 HG22 sing N N 391 
VAL   CG2 HG23 sing N N 392 
VAL   OXT HXT  sing N N 393 
# 
_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                    9HSJ 
_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]   0.019844 
_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]   0.014482 
_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]   0.008411 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . LYS   A 1 39  ? -9.90215  -21.95709 -44.82335 1.000 58.86500 ? 616  LYS   A N    1 
ATOM   2    C CA   . LYS   A 1 39  ? -10.72880 -22.84959 -44.02132 1.000 50.45889 ? 616  LYS   A CA   1 
ATOM   3    C C    . LYS   A 1 39  ? -10.14444 -23.05344 -42.62593 1.000 47.73789 ? 616  LYS   A C    1 
ATOM   4    O O    . LYS   A 1 39  ? -10.86425 -23.42740 -41.70419 1.000 46.83986 ? 616  LYS   A O    1 
ATOM   5    C CB   . LYS   A 1 39  ? -10.88898 -24.19832 -44.71739 1.000 57.10214 ? 616  LYS   A CB   1 
ATOM   6    C CG   . LYS   A 1 39  ? -11.78319 -25.17873 -43.98696 1.000 56.92944 ? 616  LYS   A CG   1 
ATOM   7    C CD   . LYS   A 1 39  ? -11.93119 -26.45643 -44.79216 1.000 63.57402 ? 616  LYS   A CD   1 
ATOM   8    C CE   . LYS   A 1 39  ? -12.09380 -26.14162 -46.26704 1.000 64.11574 ? 616  LYS   A CE   1 
ATOM   9    N NZ   . LYS   A 1 39  ? -11.98785 -27.37125 -47.09111 1.000 69.57786 ? 616  LYS   A NZ   1 
ATOM   10   N N    . ASN   A 1 40  ? -8.84351  -22.81766 -42.45996 1.000 44.85109 ? 617  ASN   A N    1 
ATOM   11   C CA   . ASN   A 1 40  ? -8.22679  -22.99938 -41.15281 1.000 42.35669 ? 617  ASN   A CA   1 
ATOM   12   C C    . ASN   A 1 40  ? -8.55961  -21.82485 -40.23960 1.000 39.80904 ? 617  ASN   A C    1 
ATOM   13   O O    . ASN   A 1 40  ? -8.42816  -20.66311 -40.63377 1.000 43.78400 ? 617  ASN   A O    1 
ATOM   14   C CB   . ASN   A 1 40  ? -6.71690  -23.15400 -41.27359 1.000 43.36921 ? 617  ASN   A CB   1 
ATOM   15   C CG   . ASN   A 1 40  ? -6.07089  -23.43141 -39.93897 1.000 40.49580 ? 617  ASN   A CG   1 
ATOM   16   O OD1  . ASN   A 1 40  ? -6.12744  -24.55051 -39.43168 1.000 44.54912 ? 617  ASN   A OD1  1 
ATOM   17   N ND2  . ASN   A 1 40  ? -5.46063  -22.41184 -39.35223 1.000 39.74636 ? 617  ASN   A ND2  1 
ATOM   18   N N    . VAL   A 1 41  ? -8.98214  -22.14224 -39.01873 1.000 32.70497 ? 618  VAL   A N    1 
ATOM   19   C CA   . VAL   A 1 41  ? -9.46510  -21.18419 -38.03294 1.000 29.54239 ? 618  VAL   A CA   1 
ATOM   20   C C    . VAL   A 1 41  ? -8.48301  -21.16694 -36.86739 1.000 29.66400 ? 618  VAL   A C    1 
ATOM   21   O O    . VAL   A 1 41  ? -8.11895  -22.22793 -36.34765 1.000 29.33417 ? 618  VAL   A O    1 
ATOM   22   C CB   . VAL   A 1 41  ? -10.88190 -21.57299 -37.56322 1.000 31.81932 ? 618  VAL   A CB   1 
ATOM   23   C CG1  . VAL   A 1 41  ? -11.28588 -20.80607 -36.33907 1.000 31.66837 ? 618  VAL   A CG1  1 
ATOM   24   C CG2  . VAL   A 1 41  ? -11.89589 -21.36501 -38.70834 1.000 36.39476 ? 618  VAL   A CG2  1 
ATOM   25   N N    . VAL   A 1 42  ? -8.05609  -19.97142 -36.45424 1.000 25.12532 ? 619  VAL   A N    1 
ATOM   26   C CA   . VAL   A 1 42  ? -7.11938  -19.82062 -35.34440 1.000 23.81392 ? 619  VAL   A CA   1 
ATOM   27   C C    . VAL   A 1 42  ? -7.90603  -19.61714 -34.05001 1.000 23.90524 ? 619  VAL   A C    1 
ATOM   28   O O    . VAL   A 1 42  ? -8.70367  -18.67851 -33.93714 1.000 23.76522 ? 619  VAL   A O    1 
ATOM   29   C CB   . VAL   A 1 42  ? -6.14725  -18.65771 -35.58813 1.000 25.48572 ? 619  VAL   A CB   1 
ATOM   30   C CG1  . VAL   A 1 42  ? -5.13308  -18.56003 -34.45621 1.000 26.84948 ? 619  VAL   A CG1  1 
ATOM   31   C CG2  . VAL   A 1 42  ? -5.42935  -18.83807 -36.91290 1.000 30.02379 ? 619  VAL   A CG2  1 
ATOM   32   N N    . ILE   A 1 43  ? -7.66262  -20.49247 -33.07141 1.000 22.55913 ? 620  ILE   A N    1 
ATOM   33   C CA   . ILE   A 1 43  ? -8.31842  -20.47704 -31.76453 1.000 21.16396 ? 620  ILE   A CA   1 
ATOM   34   C C    . ILE   A 1 43  ? -7.28302  -20.08913 -30.72057 1.000 21.27067 ? 620  ILE   A C    1 
ATOM   35   O O    . ILE   A 1 43  ? -6.16716  -20.62453 -30.72066 1.000 22.84660 ? 620  ILE   A O    1 
ATOM   36   C CB   . ILE   A 1 43  ? -8.90735  -21.86372 -31.42227 1.000 21.16761 ? 620  ILE   A CB   1 
ATOM   37   C CG1  . ILE   A 1 43  ? -9.83232  -22.37120 -32.54312 1.000 26.47585 ? 620  ILE   A CG1  1 
ATOM   38   C CG2  . ILE   A 1 43  ? -9.61508  -21.83435 -30.05607 1.000 23.03812 ? 620  ILE   A CG2  1 
ATOM   39   C CD1  . ILE   A 1 43  ? -10.95929 -21.47003 -32.83702 1.000 25.84475 ? 620  ILE   A CD1  1 
ATOM   40   N N    . TYR   A 1 44  ? -7.65472  -19.20811 -29.79889 1.000 20.05659 ? 621  TYR   A N    1 
ATOM   41   C CA   . TYR   A 1 44  ? -6.75672  -18.83796 -28.70863 1.000 22.35224 ? 621  TYR   A CA   1 
ATOM   42   C C    . TYR   A 1 44  ? -7.37831  -19.24748 -27.38225 1.000 23.61583 ? 621  TYR   A C    1 
ATOM   43   O O    . TYR   A 1 44  ? -8.54499  -18.94916 -27.12090 1.000 22.21324 ? 621  TYR   A O    1 
ATOM   44   C CB   . TYR   A 1 44  ? -6.45310  -17.33442 -28.72617 1.000 22.08217 ? 621  TYR   A CB   1 
ATOM   45   C CG   . TYR   A 1 44  ? -5.52077  -16.87393 -27.61567 1.000 23.75122 ? 621  TYR   A CG   1 
ATOM   46   C CD1  . TYR   A 1 44  ? -4.17176  -17.20468 -27.62435 1.000 23.11795 ? 621  TYR   A CD1  1 
ATOM   47   C CD2  . TYR   A 1 44  ? -6.00013  -16.09434 -26.56958 1.000 23.39234 ? 621  TYR   A CD2  1 
ATOM   48   C CE1  . TYR   A 1 44  ? -3.31974  -16.77682 -26.61093 1.000 23.83890 ? 621  TYR   A CE1  1 
ATOM   49   C CE2  . TYR   A 1 44  ? -5.15827  -15.66725 -25.54888 1.000 20.91831 ? 621  TYR   A CE2  1 
ATOM   50   C CZ   . TYR   A 1 44  ? -3.83011  -16.00094 -25.58436 1.000 25.39244 ? 621  TYR   A CZ   1 
ATOM   51   O OH   . TYR   A 1 44  ? -3.01176  -15.55959 -24.57558 1.000 23.87361 ? 621  TYR   A OH   1 
ATOM   52   N N    . ALA   A 1 45  ? -6.59297  -19.91799 -26.54165 1.000 23.87509 ? 622  ALA   A N    1 
ATOM   53   C CA   . ALA   A 1 45  ? -7.01563  -20.28458 -25.19475 1.000 23.62429 ? 622  ALA   A CA   1 
ATOM   54   C C    . ALA   A 1 45  ? -5.89893  -19.88764 -24.24817 1.000 24.19547 ? 622  ALA   A C    1 
ATOM   55   O O    . ALA   A 1 45  ? -4.76238  -20.32191 -24.42634 1.000 27.28437 ? 622  ALA   A O    1 
ATOM   56   C CB   . ALA   A 1 45  ? -7.29428  -21.78695 -25.09409 1.000 24.01919 ? 622  ALA   A CB   1 
ATOM   57   N N    . ASP   A 1 46  ? -6.20318  -19.07749 -23.24691 1.000 25.25542 ? 623  ASP   A N    1 
ATOM   58   C CA   . ASP   A 1 46  ? -5.17327  -18.74070 -22.27232 1.000 25.66233 ? 623  ASP   A CA   1 
ATOM   59   C C    . ASP   A 1 46  ? -5.51499  -19.34282 -20.91462 1.000 27.31346 ? 623  ASP   A C    1 
ATOM   60   O O    . ASP   A 1 46  ? -6.62468  -19.82812 -20.67397 1.000 23.86366 ? 623  ASP   A O    1 
ATOM   61   C CB   . ASP   A 1 46  ? -4.95294  -17.22084 -22.18848 1.000 24.70019 ? 623  ASP   A CB   1 
ATOM   62   C CG   . ASP   A 1 46  ? -6.15993  -16.44433 -21.68179 1.000 29.50686 ? 623  ASP   A CG   1 
ATOM   63   O OD1  . ASP   A 1 46  ? -7.07535  -17.02423 -21.06263 1.000 33.21615 ? 623  ASP   A OD1  1 
ATOM   64   O OD2  . ASP   A 1 46  ? -6.17713  -15.20972 -21.90392 1.000 28.80945 ? 623  ASP   A OD2  1 
ATOM   65   N N    . GLY   A 1 47  ? -4.53264  -19.33444 -20.02410 1.000 25.43548 ? 624  GLY   A N    1 
ATOM   66   C CA   . GLY   A 1 47  ? -4.73875  -19.94191 -18.72566 1.000 25.25320 ? 624  GLY   A CA   1 
ATOM   67   C C    . GLY   A 1 47  ? -3.44088  -19.97905 -17.96980 1.000 27.52726 ? 624  GLY   A C    1 
ATOM   68   O O    . GLY   A 1 47  ? -2.37658  -19.65462 -18.50008 1.000 20.98461 ? 624  GLY   A O    1 
ATOM   69   N N    . VAL   A 1 48  ? -3.55526  -20.36273 -16.70014 1.000 25.70540 ? 625  VAL   A N    1 
ATOM   70   C CA   . VAL   A 1 48  ? -2.37262  -20.60062 -15.87682 1.000 24.48776 ? 625  VAL   A CA   1 
ATOM   71   C C    . VAL   A 1 48  ? -1.77101  -21.96700 -16.19413 1.000 24.65714 ? 625  VAL   A C    1 
ATOM   72   O O    . VAL   A 1 48  ? -0.54780  -22.11402 -16.30866 1.000 22.80274 ? 625  VAL   A O    1 
ATOM   73   C CB   . VAL   A 1 48  ? -2.73780  -20.48151 -14.38753 1.000 25.22415 ? 625  VAL   A CB   1 
ATOM   74   C CG1  . VAL   A 1 48  ? -1.52576  -20.82410 -13.51158 1.000 25.51918 ? 625  VAL   A CG1  1 
ATOM   75   C CG2  . VAL   A 1 48  ? -3.25748  -19.07969 -14.06250 1.000 25.05161 ? 625  VAL   A CG2  1 
ATOM   76   N N    . TYR   A 1 49  ? -2.61710  -22.98794 -16.34134 1.000 23.47688 ? 626  TYR   A N    1 
ATOM   77   C CA   . TYR   A 1 49  ? -2.15898  -24.34774 -16.63315 1.000 22.54941 ? 626  TYR   A CA   1 
ATOM   78   C C    . TYR   A 1 49  ? -1.16674  -24.83691 -15.57281 1.000 23.29693 ? 626  TYR   A C    1 
ATOM   79   O O    . TYR   A 1 49  ? -0.15053  -25.46346 -15.88456 1.000 22.52386 ? 626  TYR   A O    1 
ATOM   80   C CB   . TYR   A 1 49  ? -1.55793  -24.43278 -18.04037 1.000 21.33095 ? 626  TYR   A CB   1 
ATOM   81   C CG   . TYR   A 1 49  ? -2.56563  -24.02432 -19.09728 1.000 23.99880 ? 626  TYR   A CG   1 
ATOM   82   C CD1  . TYR   A 1 49  ? -3.64910  -24.84312 -19.39956 1.000 22.39326 ? 626  TYR   A CD1  1 
ATOM   83   C CD2  . TYR   A 1 49  ? -2.44473  -22.81386 -19.77495 1.000 24.65760 ? 626  TYR   A CD2  1 
ATOM   84   C CE1  . TYR   A 1 49  ? -4.57772  -24.47164 -20.36903 1.000 24.89992 ? 626  TYR   A CE1  1 
ATOM   85   C CE2  . TYR   A 1 49  ? -3.37611  -22.43260 -20.74226 1.000 24.17210 ? 626  TYR   A CE2  1 
ATOM   86   C CZ   . TYR   A 1 49  ? -4.42766  -23.26595 -21.03033 1.000 26.68203 ? 626  TYR   A CZ   1 
ATOM   87   O OH   . TYR   A 1 49  ? -5.34498  -22.88655 -21.98588 1.000 28.06598 ? 626  TYR   A OH   1 
ATOM   88   N N    . ASP   A 1 50  ? -1.46129  -24.53334 -14.30941 1.000 21.57890 ? 627  ASP   A N    1 
ATOM   89   C CA   . ASP   A 1 50  ? -0.67190  -25.02787 -13.18703 1.000 24.34177 ? 627  ASP   A CA   1 
ATOM   90   C C    . ASP   A 1 50  ? -1.04540  -26.48107 -12.90840 1.000 26.00162 ? 627  ASP   A C    1 
ATOM   91   O O    . ASP   A 1 50  ? -2.23150  -26.82459 -12.86120 1.000 24.49921 ? 627  ASP   A O    1 
ATOM   92   C CB   . ASP   A 1 50  ? -0.93448  -24.16465 -11.94584 1.000 24.98353 ? 627  ASP   A CB   1 
ATOM   93   C CG   . ASP   A 1 50  ? 0.21640   -24.16177 -10.96185 1.000 25.30282 ? 627  ASP   A CG   1 
ATOM   94   O OD1  . ASP   A 1 50  ? 1.32562   -24.60774 -11.30657 1.000 26.25611 ? 627  ASP   A OD1  1 
ATOM   95   O OD2  . ASP   A 1 50  ? 0.01450   -23.69740 -9.81972  1.000 26.99986 ? 627  ASP   A OD2  1 
ATOM   96   N N    . MET   A 1 51  ? -0.03749  -27.33576 -12.73147 1.000 23.00761 ? 628  MET   A N    1 
ATOM   97   C CA   . MET   A 1 51  ? -0.25195  -28.72303 -12.32409 1.000 23.73343 ? 628  MET   A CA   1 
ATOM   98   C C    . MET   A 1 51  ? -1.27050  -29.39581 -13.24247 1.000 23.28391 ? 628  MET   A C    1 
ATOM   99   O O    . MET   A 1 51  ? -2.30551  -29.90419 -12.80834 1.000 26.08189 ? 628  MET   A O    1 
ATOM   100  C CB   . MET   A 1 51  ? -0.69503  -28.79528 -10.86031 1.000 25.37192 ? 628  MET   A CB   1 
ATOM   101  C CG   . MET   A 1 51  ? 0.30577   -28.15775 -9.88603  1.000 26.98405 ? 628  MET   A CG   1 
ATOM   102  S SD   . MET   A 1 51  ? -0.14814  -28.43180 -8.17144  1.000 32.05505 ? 628  MET   A SD   1 
ATOM   103  C CE   . MET   A 1 51  ? -1.61449  -27.41328 -8.05609  1.000 30.73511 ? 628  MET   A CE   1 
ATOM   104  N N    . LEU   A 1 52  ? -0.94115  -29.37968 -14.53307 1.000 24.47001 ? 629  LEU   A N    1 
ATOM   105  C CA   . LEU   A 1 52  ? -1.86425  -29.79136 -15.58036 1.000 24.77548 ? 629  LEU   A CA   1 
ATOM   106  C C    . LEU   A 1 52  ? -2.37715  -31.20109 -15.33009 1.000 24.35550 ? 629  LEU   A C    1 
ATOM   107  O O    . LEU   A 1 52  ? -1.61138  -32.10145 -14.95933 1.000 25.39140 ? 629  LEU   A O    1 
ATOM   108  C CB   . LEU   A 1 52  ? -1.15600  -29.74155 -16.93740 1.000 23.75070 ? 629  LEU   A CB   1 
ATOM   109  C CG   . LEU   A 1 52  ? -2.01885  -29.80246 -18.19446 1.000 24.80372 ? 629  LEU   A CG   1 
ATOM   110  C CD1  . LEU   A 1 52  ? -2.49232  -28.40261 -18.53577 1.000 27.43630 ? 629  LEU   A CD1  1 
ATOM   111  C CD2  . LEU   A 1 52  ? -1.23565  -30.42664 -19.35064 1.000 26.17181 ? 629  LEU   A CD2  1 
ATOM   112  N N    . HIS   A 1 53  ? -3.67943  -31.40274 -15.55698 1.000 23.25681 ? 630  HIS   A N    1 
ATOM   113  C CA   . HIS   A 1 53  ? -4.27948  -32.72273 -15.39992 1.000 23.21555 ? 630  HIS   A CA   1 
ATOM   114  C C    . HIS   A 1 53  ? -5.29545  -32.96265 -16.51366 1.000 25.69762 ? 630  HIS   A C    1 
ATOM   115  O O    . HIS   A 1 53  ? -5.44115  -32.15544 -17.43137 1.000 24.41143 ? 630  HIS   A O    1 
ATOM   116  C CB   . HIS   A 1 53  ? -4.90164  -32.90250 -14.00372 1.000 28.01558 ? 630  HIS   A CB   1 
ATOM   117  C CG   . HIS   A 1 53  ? -5.97998  -31.91981 -13.66161 1.000 30.42771 ? 630  HIS   A CG   1 
ATOM   118  N ND1  . HIS   A 1 53  ? -7.22053  -31.93258 -14.26377 1.000 34.14811 ? 630  HIS   A ND1  1 
ATOM   119  C CD2  . HIS   A 1 53  ? -6.02810  -30.93888 -12.72630 1.000 31.58396 ? 630  HIS   A CD2  1 
ATOM   120  C CE1  . HIS   A 1 53  ? -7.97717  -30.98604 -13.73398 1.000 35.66332 ? 630  HIS   A CE1  1 
ATOM   121  N NE2  . HIS   A 1 53  ? -7.27598  -30.36621 -12.80091 1.000 34.85919 ? 630  HIS   A NE2  1 
ATOM   122  N N    . LEU   A 1 54  ? -5.98981  -34.10673 -16.43172 1.000 26.70131 ? 631  LEU   A N    1 
ATOM   123  C CA   . LEU   A 1 54  ? -6.89676  -34.52486 -17.50299 1.000 26.57176 ? 631  LEU   A CA   1 
ATOM   124  C C    . LEU   A 1 54  ? -7.96317  -33.47677 -17.77409 1.000 25.31854 ? 631  LEU   A C    1 
ATOM   125  O O    . LEU   A 1 54  ? -8.39333  -33.30290 -18.92164 1.000 26.40399 ? 631  LEU   A O    1 
ATOM   126  C CB   . LEU   A 1 54  ? -7.56740  -35.84514 -17.13842 1.000 28.45897 ? 631  LEU   A CB   1 
ATOM   127  C CG   . LEU   A 1 54  ? -7.38426  -37.09207 -17.99212 1.000 34.80798 ? 631  LEU   A CG   1 
ATOM   128  C CD1  . LEU   A 1 54  ? -8.27607  -38.19752 -17.43589 1.000 36.86235 ? 631  LEU   A CD1  1 
ATOM   129  C CD2  . LEU   A 1 54  ? -7.69450  -36.84242 -19.44465 1.000 28.68628 ? 631  LEU   A CD2  1 
ATOM   130  N N    . GLY   A 1 55  ? -8.42474  -32.79168 -16.72623 1.000 28.50935 ? 632  GLY   A N    1 
ATOM   131  C CA   . GLY   A 1 55  ? -9.39940  -31.73275 -16.92262 1.000 29.91036 ? 632  GLY   A CA   1 
ATOM   132  C C    . GLY   A 1 55  ? -8.91259  -30.68054 -17.90007 1.000 28.93969 ? 632  GLY   A C    1 
ATOM   133  O O    . GLY   A 1 55  ? -9.63262  -30.29580 -18.82668 1.000 27.12580 ? 632  GLY   A O    1 
ATOM   134  N N    . HIS   A 1 56  ? -7.66919  -30.21423 -17.72065 1.000 27.25266 ? 633  HIS   A N    1 
ATOM   135  C CA   . HIS   A 1 56  ? -7.11490  -29.23173 -18.65282 1.000 25.83935 ? 633  HIS   A CA   1 
ATOM   136  C C    . HIS   A 1 56  ? -6.97737  -29.82387 -20.04399 1.000 23.23218 ? 633  HIS   A C    1 
ATOM   137  O O    . HIS   A 1 56  ? -7.26394  -29.15907 -21.04390 1.000 22.89758 ? 633  HIS   A O    1 
ATOM   138  C CB   . HIS   A 1 56  ? -5.74122  -28.74138 -18.19360 1.000 25.62211 ? 633  HIS   A CB   1 
ATOM   139  C CG   . HIS   A 1 56  ? -5.71737  -28.18344 -16.80948 1.000 27.62209 ? 633  HIS   A CG   1 
ATOM   140  N ND1  . HIS   A 1 56  ? -5.31965  -28.92399 -15.72186 1.000 29.13266 ? 633  HIS   A ND1  1 
ATOM   141  C CD2  . HIS   A 1 56  ? -6.01905  -26.95194 -16.33623 1.000 32.16197 ? 633  HIS   A CD2  1 
ATOM   142  C CE1  . HIS   A 1 56  ? -5.39266  -28.18077 -14.63237 1.000 32.42567 ? 633  HIS   A CE1  1 
ATOM   143  N NE2  . HIS   A 1 56  ? -5.82068  -26.97975 -14.97725 1.000 35.40907 ? 633  HIS   A NE2  1 
ATOM   144  N N    . MET   A 1 57  ? -6.49562  -31.06396 -20.12801 1.000 21.43030 ? 634  MET   A N    1 
ATOM   145  C CA   . MET   A 1 57  ? -6.27488  -31.68504 -21.42791 1.000 21.23060 ? 634  MET   A CA   1 
ATOM   146  C C    . MET   A 1 57  ? -7.56654  -31.76402 -22.21910 1.000 23.34593 ? 634  MET   A C    1 
ATOM   147  O O    . MET   A 1 57  ? -7.58532  -31.50336 -23.42698 1.000 21.08945 ? 634  MET   A O    1 
ATOM   148  C CB   . MET   A 1 57  ? -5.68368  -33.07883 -21.23955 1.000 21.37465 ? 634  MET   A CB   1 
ATOM   149  C CG   . MET   A 1 57  ? -4.31243  -33.04050 -20.58024 1.000 23.82117 ? 634  MET   A CG   1 
ATOM   150  S SD   . MET   A 1 57  ? -3.72225  -34.66907 -20.10423 1.000 26.44081 ? 634  MET   A SD   1 
ATOM   151  C CE   . MET   A 1 57  ? -2.37349  -34.18284 -19.01970 1.000 24.90895 ? 634  MET   A CE   1 
ATOM   152  N N    . LYS   A 1 58  ? -8.65354  -32.14709 -21.55522 1.000 22.22798 ? 635  LYS   A N    1 
ATOM   153  C CA   . LYS   A 1 58  ? -9.94081  -32.25205 -22.23296 1.000 23.05623 ? 635  LYS   A CA   1 
ATOM   154  C C    . LYS   A 1 58  ? -10.42962 -30.89062 -22.69600 1.000 26.03425 ? 635  LYS   A C    1 
ATOM   155  O O    . LYS   A 1 58  ? -11.10898 -30.78722 -23.72700 1.000 24.41102 ? 635  LYS   A O    1 
ATOM   156  C CB   . LYS   A 1 58  ? -10.98237 -32.88034 -21.30828 1.000 25.09647 ? 635  LYS   A CB   1 
ATOM   157  C CG   . LYS   A 1 58  ? -10.76841 -34.33833 -21.00728 1.000 26.73907 ? 635  LYS   A CG   1 
ATOM   158  C CD   . LYS   A 1 58  ? -11.54072 -34.69282 -19.74464 1.000 34.43613 ? 635  LYS   A CD   1 
ATOM   159  C CE   . LYS   A 1 58  ? -12.20887 -36.03878 -19.84530 1.000 41.23812 ? 635  LYS   A CE   1 
ATOM   160  N NZ   . LYS   A 1 58  ? -12.84240 -36.42061 -18.54104 1.000 46.51396 ? 635  LYS   A NZ   1 
ATOM   161  N N    . GLN   A 1 59  ? -10.15696 -29.84636 -21.90857 1.000 22.64371 ? 636  GLN   A N    1 
ATOM   162  C CA   . GLN   A 1 59  ? -10.56562 -28.50924 -22.30864 1.000 25.07938 ? 636  GLN   A CA   1 
ATOM   163  C C    . GLN   A 1 59  ? -9.76014  -28.02848 -23.50678 1.000 21.46018 ? 636  GLN   A C    1 
ATOM   164  O O    . GLN   A 1 59  ? -10.30182 -27.35869 -24.39196 1.000 23.24974 ? 636  GLN   A O    1 
ATOM   165  C CB   . GLN   A 1 59  ? -10.43101 -27.54083 -21.13115 1.000 30.92853 ? 636  GLN   A CB   1 
ATOM   166  C CG   . GLN   A 1 59  ? -11.68328 -26.74197 -20.88151 1.000 42.29687 ? 636  GLN   A CG   1 
ATOM   167  C CD   . GLN   A 1 59  ? -11.68438 -26.05761 -19.52935 1.000 48.07417 ? 636  GLN   A CD   1 
ATOM   168  O OE1  . GLN   A 1 59  ? -11.13903 -26.58237 -18.55710 1.000 47.17467 ? 636  GLN   A OE1  1 
ATOM   169  N NE2  . GLN   A 1 59  ? -12.28443 -24.87456 -19.46477 1.000 52.79740 ? 636  GLN   A NE2  1 
ATOM   170  N N    . LEU   A 1 60  ? -8.46159  -28.34948 -23.54782 1.000 20.64540 ? 637  LEU   A N    1 
ATOM   171  C CA   . LEU   A 1 60  ? -7.67722  -28.06684 -24.74245 1.000 21.78763 ? 637  LEU   A CA   1 
ATOM   172  C C    . LEU   A 1 60  ? -8.21581  -28.84301 -25.93893 1.000 23.81116 ? 637  LEU   A C    1 
ATOM   173  O O    . LEU   A 1 60  ? -8.32162  -28.30317 -27.04694 1.000 22.46807 ? 637  LEU   A O    1 
ATOM   174  C CB   . LEU   A 1 60  ? -6.19454  -28.39841 -24.48956 1.000 20.90482 ? 637  LEU   A CB   1 
ATOM   175  C CG   . LEU   A 1 60  ? -5.56534  -27.48241 -23.42718 1.000 20.37787 ? 637  LEU   A CG   1 
ATOM   176  C CD1  . LEU   A 1 60  ? -4.21102  -28.05419 -22.90743 1.000 20.38039 ? 637  LEU   A CD1  1 
ATOM   177  C CD2  . LEU   A 1 60  ? -5.37368  -26.07556 -23.98325 1.000 23.16515 ? 637  LEU   A CD2  1 
ATOM   178  N N    . GLU   A 1 61  ? -8.54704  -30.11944 -25.74547 1.000 20.84549 ? 638  GLU   A N    1 
ATOM   179  C CA   . GLU   A 1 61  ? -9.12890  -30.89172 -26.83715 1.000 21.59870 ? 638  GLU   A CA   1 
ATOM   180  C C    . GLU   A 1 61  ? -10.38619 -30.22403 -27.37482 1.000 23.02391 ? 638  GLU   A C    1 
ATOM   181  O O    . GLU   A 1 61  ? -10.57734 -30.12565 -28.59351 1.000 22.89412 ? 638  GLU   A O    1 
ATOM   182  C CB   . GLU   A 1 61  ? -9.45438  -32.30533 -26.36506 1.000 22.53776 ? 638  GLU   A CB   1 
ATOM   183  C CG   . GLU   A 1 61  ? -9.89117  -33.21531 -27.49007 1.000 22.92538 ? 638  GLU   A CG   1 
ATOM   184  C CD   . GLU   A 1 61  ? -10.37725 -34.56657 -27.00451 1.000 28.43550 ? 638  GLU   A CD   1 
ATOM   185  O OE1  . GLU   A 1 61  ? -10.43072 -34.78939 -25.77119 1.000 28.43095 ? 638  GLU   A OE1  1 
ATOM   186  O OE2  . GLU   A 1 61  ? -10.72304 -35.40200 -27.86792 1.000 28.38197 ? 638  GLU   A OE2  1 
ATOM   187  N N    . GLN   A 1 62  ? -11.26239 -29.77110 -26.47456 1.000 22.45896 ? 639  GLN   A N    1 
ATOM   188  C CA   . GLN   A 1 62  ? -12.50803 -29.14472 -26.90383 1.000 24.19398 ? 639  GLN   A CA   1 
ATOM   189  C C    . GLN   A 1 62  ? -12.22543 -27.88344 -27.70806 1.000 25.47173 ? 639  GLN   A C    1 
ATOM   190  O O    . GLN   A 1 62  ? -12.85111 -27.63877 -28.74788 1.000 24.39446 ? 639  GLN   A O    1 
ATOM   191  C CB   . GLN   A 1 62  ? -13.36636 -28.83015 -25.68391 1.000 29.22157 ? 639  GLN   A CB   1 
ATOM   192  C CG   . GLN   A 1 62  ? -14.82023 -28.62277 -26.02705 1.000 42.30827 ? 639  GLN   A CG   1 
ATOM   193  C CD   . GLN   A 1 62  ? -15.61647 -28.07754 -24.86668 1.000 44.21514 ? 639  GLN   A CD   1 
ATOM   194  O OE1  . GLN   A 1 62  ? -15.25802 -28.27375 -23.71015 1.000 48.30344 ? 639  GLN   A OE1  1 
ATOM   195  N NE2  . GLN   A 1 62  ? -16.69630 -27.36530 -25.17479 1.000 52.83545 ? 639  GLN   A NE2  1 
ATOM   196  N N    . ALA   A 1 63  ? -11.31103 -27.04600 -27.21061 1.000 25.50566 ? 640  ALA   A N    1 
ATOM   197  C CA   . ALA   A 1 63  ? -10.93031 -25.83977 -27.93923 1.000 23.81865 ? 640  ALA   A CA   1 
ATOM   198  C C    . ALA   A 1 63  ? -10.36849 -26.18656 -29.30939 1.000 23.22770 ? 640  ALA   A C    1 
ATOM   199  O O    . ALA   A 1 63  ? -10.73881 -25.57266 -30.31067 1.000 24.56943 ? 640  ALA   A O    1 
ATOM   200  C CB   . ALA   A 1 63  ? -9.90071  -25.02953 -27.14190 1.000 23.89753 ? 640  ALA   A CB   1 
ATOM   201  N N    . LYS   A 1 64  ? -9.49452  -27.19031 -29.37521 1.000 20.88437 ? 641  LYS   A N    1 
ATOM   202  C CA   . LYS   A 1 64  ? -8.89788  -27.57755 -30.64901 1.000 22.47512 ? 641  LYS   A CA   1 
ATOM   203  C C    . LYS   A 1 64  ? -9.94600  -28.07221 -31.64144 1.000 24.21049 ? 641  LYS   A C    1 
ATOM   204  O O    . LYS   A 1 64  ? -9.77158  -27.90474 -32.85713 1.000 24.99871 ? 641  LYS   A O    1 
ATOM   205  C CB   . LYS   A 1 64  ? -7.81769  -28.64405 -30.39333 1.000 21.14695 ? 641  LYS   A CB   1 
ATOM   206  C CG   . LYS   A 1 64  ? -7.26454  -29.37842 -31.63044 1.000 23.36462 ? 641  LYS   A CG   1 
ATOM   207  C CD   . LYS   A 1 64  ? -6.39242  -28.47034 -32.48791 1.000 23.12639 ? 641  LYS   A CD   1 
ATOM   208  C CE   . LYS   A 1 64  ? -5.78420  -29.23749 -33.67282 1.000 28.05976 ? 641  LYS   A CE   1 
ATOM   209  N NZ   . LYS   A 1 64  ? -5.25999  -28.30828 -34.69295 1.000 26.69775 ? 641  LYS   A NZ   1 
ATOM   210  N N    . LYS   A 1 65  ? -11.04713 -28.66974 -31.15926 1.000 22.24405 ? 642  LYS   A N    1 
ATOM   211  C CA   . LYS   A 1 65  ? -12.03519 -29.28648 -32.04075 1.000 24.18010 ? 642  LYS   A CA   1 
ATOM   212  C C    . LYS   A 1 65  ? -13.27438 -28.42488 -32.26575 1.000 25.17235 ? 642  LYS   A C    1 
ATOM   213  O O    . LYS   A 1 65  ? -14.28158 -28.93163 -32.77460 1.000 25.55191 ? 642  LYS   A O    1 
ATOM   214  C CB   . LYS   A 1 65  ? -12.43690 -30.66221 -31.49501 1.000 23.98532 ? 642  LYS   A CB   1 
ATOM   215  C CG   . LYS   A 1 65  ? -11.26734 -31.65801 -31.54874 1.000 25.30341 ? 642  LYS   A CG   1 
ATOM   216  C CD   . LYS   A 1 65  ? -11.62499 -33.02218 -30.98703 1.000 23.63957 ? 642  LYS   A CD   1 
ATOM   217  C CE   . LYS   A 1 65  ? -10.44028 -33.96834 -31.16545 1.000 29.55738 ? 642  LYS   A CE   1 
ATOM   218  N NZ   . LYS   A 1 65  ? -10.68828 -35.31670 -30.56838 1.000 31.79219 ? 642  LYS   A NZ   1 
ATOM   219  N N    . LEU   A 1 66  ? -13.21299 -27.13220 -31.93603 1.000 23.52908 ? 643  LEU   A N    1 
ATOM   220  C CA   . LEU   A 1 66  ? -14.36041 -26.24372 -32.15106 1.000 26.42495 ? 643  LEU   A CA   1 
ATOM   221  C C    . LEU   A 1 66  ? -14.75267 -26.16246 -33.62220 1.000 27.01836 ? 643  LEU   A C    1 
ATOM   222  O O    . LEU   A 1 66  ? -15.92107 -25.88570 -33.95253 1.000 25.05791 ? 643  LEU   A O    1 
ATOM   223  C CB   . LEU   A 1 66  ? -14.03696 -24.85014 -31.61847 1.000 25.25938 ? 643  LEU   A CB   1 
ATOM   224  C CG   . LEU   A 1 66  ? -13.99062 -24.76168 -30.08604 1.000 22.78302 ? 643  LEU   A CG   1 
ATOM   225  C CD1  . LEU   A 1 66  ? -13.39258 -23.41018 -29.70847 1.000 22.77796 ? 643  LEU   A CD1  1 
ATOM   226  C CD2  . LEU   A 1 66  ? -15.40388 -24.90444 -29.51587 1.000 25.86437 ? 643  LEU   A CD2  1 
ATOM   227  N N    . PHE   A 1 67  ? -13.78846 -26.36789 -34.51658 1.000 27.47718 ? 644  PHE   A N    1 
ATOM   228  C CA   . PHE   A 1 67  ? -14.01019 -26.39784 -35.95695 1.000 31.03661 ? 644  PHE   A CA   1 
ATOM   229  C C    . PHE   A 1 67  ? -13.14967 -27.50222 -36.55904 1.000 31.14894 ? 644  PHE   A C    1 
ATOM   230  O O    . PHE   A 1 67  ? -12.21087 -28.00462 -35.93222 1.000 29.50800 ? 644  PHE   A O    1 
ATOM   231  C CB   . PHE   A 1 67  ? -13.68368 -25.05232 -36.62249 1.000 29.27497 ? 644  PHE   A CB   1 
ATOM   232  C CG   . PHE   A 1 67  ? -14.53151 -23.91331 -36.13785 1.000 30.02718 ? 644  PHE   A CG   1 
ATOM   233  C CD1  . PHE   A 1 67  ? -14.13102 -23.15267 -35.05143 1.000 26.59415 ? 644  PHE   A CD1  1 
ATOM   234  C CD2  . PHE   A 1 67  ? -15.73111 -23.60539 -36.76733 1.000 28.98959 ? 644  PHE   A CD2  1 
ATOM   235  C CE1  . PHE   A 1 67  ? -14.90635 -22.09801 -34.59174 1.000 26.17982 ? 644  PHE   A CE1  1 
ATOM   236  C CE2  . PHE   A 1 67  ? -16.51920 -22.56256 -36.32047 1.000 31.89700 ? 644  PHE   A CE2  1 
ATOM   237  C CZ   . PHE   A 1 67  ? -16.11470 -21.80024 -35.22877 1.000 29.81259 ? 644  PHE   A CZ   1 
ATOM   238  N N    . GLU   A 1 68  ? -13.46453 -27.85429 -37.80765 1.000 29.31980 ? 645  GLU   A N    1 
ATOM   239  C CA   . GLU   A 1 68  ? -12.83765 -29.01574 -38.43672 1.000 33.49078 ? 645  GLU   A CA   1 
ATOM   240  C C    . GLU   A 1 68  ? -11.33441 -28.82004 -38.60326 1.000 32.36557 ? 645  GLU   A C    1 
ATOM   241  O O    . GLU   A 1 68  ? -10.55082 -29.74773 -38.37540 1.000 33.39970 ? 645  GLU   A O    1 
ATOM   242  C CB   . GLU   A 1 68  ? -13.49685 -29.29643 -39.79127 1.000 33.47981 ? 645  GLU   A CB   1 
ATOM   243  N N    . ASN   A 1 69  ? -10.91146 -27.62545 -39.01112 1.000 31.72954 ? 646  ASN   A N    1 
ATOM   244  C CA   . ASN   A 1 69  ? -9.49970  -27.31818 -39.23310 1.000 33.75718 ? 646  ASN   A CA   1 
ATOM   245  C C    . ASN   A 1 69  ? -9.13713  -26.10368 -38.39003 1.000 30.08981 ? 646  ASN   A C    1 
ATOM   246  O O    . ASN   A 1 69  ? -9.64059  -25.00329 -38.63666 1.000 31.27716 ? 646  ASN   A O    1 
ATOM   247  C CB   . ASN   A 1 69  ? -9.22461  -27.05266 -40.71157 1.000 33.98074 ? 646  ASN   A CB   1 
ATOM   248  C CG   . ASN   A 1 69  ? -9.53452  -28.24200 -41.57693 1.000 41.31749 ? 646  ASN   A CG   1 
ATOM   249  O OD1  . ASN   A 1 69  ? -10.30043 -28.14433 -42.53664 1.000 49.47794 ? 646  ASN   A OD1  1 
ATOM   250  N ND2  . ASN   A 1 69  ? -8.93455  -29.38071 -41.24995 1.000 39.93373 ? 646  ASN   A ND2  1 
ATOM   251  N N    . THR   A 1 70  ? -8.25657  -26.29352 -37.40983 1.000 28.91478 ? 647  THR   A N    1 
ATOM   252  C CA   . THR   A 1 70  ? -7.90789  -25.22440 -36.48874 1.000 27.82200 ? 647  THR   A CA   1 
ATOM   253  C C    . THR   A 1 70  ? -6.40642  -25.18564 -36.27703 1.000 26.89665 ? 647  THR   A C    1 
ATOM   254  O O    . THR   A 1 70  ? -5.70094  -26.18823 -36.44013 1.000 27.50195 ? 647  THR   A O    1 
ATOM   255  C CB   . THR   A 1 70  ? -8.56852  -25.39884 -35.11142 1.000 25.61052 ? 647  THR   A CB   1 
ATOM   256  O OG1  . THR   A 1 70  ? -8.07871  -26.60018 -34.51473 1.000 24.11161 ? 647  THR   A OG1  1 
ATOM   257  C CG2  . THR   A 1 70  ? -10.06437 -25.50109 -35.23902 1.000 28.15931 ? 647  THR   A CG2  1 
ATOM   258  N N    . THR   A 1 71  ? -5.93403  -24.00858 -35.87864 1.000 25.06053 ? 648  THR   A N    1 
ATOM   259  C CA   . THR   A 1 71  ? -4.68368  -23.86393 -35.14238 1.000 24.29658 ? 648  THR   A CA   1 
ATOM   260  C C    . THR   A 1 71  ? -5.04941  -23.43489 -33.72978 1.000 24.30619 ? 648  THR   A C    1 
ATOM   261  O O    . THR   A 1 71  ? -5.68376  -22.39418 -33.55060 1.000 23.11107 ? 648  THR   A O    1 
ATOM   262  C CB   . THR   A 1 71  ? -3.75994  -22.82945 -35.79543 1.000 23.35628 ? 648  THR   A CB   1 
ATOM   263  O OG1  . THR   A 1 71  ? -3.44546  -23.24281 -37.12861 1.000 26.44310 ? 648  THR   A OG1  1 
ATOM   264  C CG2  . THR   A 1 71  ? -2.47367  -22.67456 -34.99534 1.000 28.31317 ? 648  THR   A CG2  1 
ATOM   265  N N    . LEU   A 1 72  ? -4.66648  -24.23821 -32.72914 1.000 22.03665 ? 649  LEU   A N    1 
ATOM   266  C CA   . LEU   A 1 72  ? -4.90775  -23.90743 -31.33072 1.000 20.97117 ? 649  LEU   A CA   1 
ATOM   267  C C    . LEU   A 1 72  ? -3.65115  -23.24870 -30.76968 1.000 21.85264 ? 649  LEU   A C    1 
ATOM   268  O O    . LEU   A 1 72  ? -2.61217  -23.90320 -30.61178 1.000 22.10721 ? 649  LEU   A O    1 
ATOM   269  C CB   . LEU   A 1 72  ? -5.28588  -25.14643 -30.51514 1.000 18.97739 ? 649  LEU   A CB   1 
ATOM   270  C CG   . LEU   A 1 72  ? -5.46576  -24.82365 -29.01331 1.000 21.24836 ? 649  LEU   A CG   1 
ATOM   271  C CD1  . LEU   A 1 72  ? -6.51562  -23.74349 -28.81976 1.000 20.94432 ? 649  LEU   A CD1  1 
ATOM   272  C CD2  . LEU   A 1 72  ? -5.85186  -26.06811 -28.21987 1.000 19.66200 ? 649  LEU   A CD2  1 
ATOM   273  N N    . ILE   A 1 73  ? -3.74904  -21.95142 -30.48678 1.000 21.80093 ? 650  ILE   A N    1 
ATOM   274  C CA   . ILE   A 1 73  ? -2.70246  -21.18805 -29.81106 1.000 21.00016 ? 650  ILE   A CA   1 
ATOM   275  C C    . ILE   A 1 73  ? -3.05717  -21.12089 -28.33555 1.000 20.37994 ? 650  ILE   A C    1 
ATOM   276  O O    . ILE   A 1 73  ? -4.15502  -20.68135 -27.98386 1.000 21.24142 ? 650  ILE   A O    1 
ATOM   277  C CB   . ILE   A 1 73  ? -2.57971  -19.76686 -30.38729 1.000 20.72070 ? 650  ILE   A CB   1 
ATOM   278  C CG1  . ILE   A 1 73  ? -2.30712  -19.79025 -31.89644 1.000 21.50679 ? 650  ILE   A CG1  1 
ATOM   279  C CG2  . ILE   A 1 73  ? -1.48165  -19.01597 -29.63714 1.000 20.94269 ? 650  ILE   A CG2  1 
ATOM   280  C CD1  . ILE   A 1 73  ? -2.29519  -18.38462 -32.51912 1.000 23.24957 ? 650  ILE   A CD1  1 
ATOM   281  N N    . VAL   A 1 74  ? -2.13272  -21.53899 -27.46860 1.000 20.73593 ? 651  VAL   A N    1 
ATOM   282  C CA   . VAL   A 1 74  ? -2.34327  -21.54118 -26.01972 1.000 21.00545 ? 651  VAL   A CA   1 
ATOM   283  C C    . VAL   A 1 74  ? -1.46814  -20.46173 -25.40248 1.000 23.64165 ? 651  VAL   A C    1 
ATOM   284  O O    . VAL   A 1 74  ? -0.25574  -20.43156 -25.63636 1.000 22.46432 ? 651  VAL   A O    1 
ATOM   285  C CB   . VAL   A 1 74  ? -2.00999  -22.90770 -25.39741 1.000 21.27694 ? 651  VAL   A CB   1 
ATOM   286  C CG1  . VAL   A 1 74  ? -2.09743  -22.82031 -23.86602 1.000 22.01720 ? 651  VAL   A CG1  1 
ATOM   287  C CG2  . VAL   A 1 74  ? -2.96725  -23.97091 -25.91602 1.000 22.50049 ? 651  VAL   A CG2  1 
ATOM   288  N N    . GLY   A 1 75  ? -2.07637  -19.58838 -24.59928 1.000 22.62481 ? 652  GLY   A N    1 
ATOM   289  C CA   . GLY   A 1 75  ? -1.33288  -18.57848 -23.85536 1.000 23.42739 ? 652  GLY   A CA   1 
ATOM   290  C C    . GLY   A 1 75  ? -1.13721  -19.04323 -22.42034 1.000 22.47180 ? 652  GLY   A C    1 
ATOM   291  O O    . GLY   A 1 75  ? -2.07707  -19.52601 -21.78271 1.000 21.29798 ? 652  GLY   A O    1 
ATOM   292  N N    . VAL   A 1 76  ? 0.08823   -18.87816 -21.92100 1.000 20.15418 ? 653  VAL   A N    1 
ATOM   293  C CA   . VAL   A 1 76  ? 0.47942   -19.34215 -20.58050 1.000 20.83829 ? 653  VAL   A CA   1 
ATOM   294  C C    . VAL   A 1 76  ? 0.86272   -18.11833 -19.75843 1.000 23.57819 ? 653  VAL   A C    1 
ATOM   295  O O    . VAL   A 1 76  ? 1.77449   -17.37655 -20.14365 1.000 22.53778 ? 653  VAL   A O    1 
ATOM   296  C CB   . VAL   A 1 76  ? 1.65187   -20.33764 -20.65141 1.000 22.42708 ? 653  VAL   A CB   1 
ATOM   297  C CG1  . VAL   A 1 76  ? 1.99906   -20.86622 -19.26939 1.000 22.95960 ? 653  VAL   A CG1  1 
ATOM   298  C CG2  . VAL   A 1 76  ? 1.30640   -21.49744 -21.60319 1.000 23.11195 ? 653  VAL   A CG2  1 
ATOM   299  N N    . THR   A 1 77  ? 0.17807   -17.90501 -18.62880 1.000 22.57482 ? 654  THR   A N    1 
ATOM   300  C CA   . THR   A 1 77  ? 0.32847   -16.64630 -17.90320 1.000 20.86913 ? 654  THR   A CA   1 
ATOM   301  C C    . THR   A 1 77  ? 1.66722   -16.59446 -17.16971 1.000 23.60480 ? 654  THR   A C    1 
ATOM   302  O O    . THR   A 1 77  ? 2.22992   -17.62390 -16.77656 1.000 23.00632 ? 654  THR   A O    1 
ATOM   303  C CB   . THR   A 1 77  ? -0.80528  -16.45210 -16.89075 1.000 22.43202 ? 654  THR   A CB   1 
ATOM   304  O OG1  . THR   A 1 77  ? -0.86552  -17.59703 -16.03540 1.000 25.43202 ? 654  THR   A OG1  1 
ATOM   305  C CG2  . THR   A 1 77  ? -2.15702  -16.24370 -17.60623 1.000 22.57415 ? 654  THR   A CG2  1 
ATOM   306  N N    . SER   A 1 78  ? 2.15634   -15.37588 -16.95489 1.000 23.48394 ? 655  SER   A N    1 
ATOM   307  C CA   . SER   A 1 78  ? 3.44359   -15.21388 -16.29093 1.000 26.95408 ? 655  SER   A CA   1 
ATOM   308  C C    . SER   A 1 78  ? 3.33395   -15.55489 -14.80653 1.000 28.37656 ? 655  SER   A C    1 
ATOM   309  O O    . SER   A 1 78  ? 2.25569   -15.51012 -14.20629 1.000 27.85876 ? 655  SER   A O    1 
ATOM   310  C CB   . SER   A 1 78  ? 3.96068   -13.78846 -16.45141 1.000 30.28266 ? 655  SER   A CB   1 
ATOM   311  O OG   . SER   A 1 78  ? 3.18181   -12.87920 -15.69537 1.000 30.68702 ? 655  SER   A OG   1 
ATOM   312  N N    . ASP   A 1 79  ? 4.48164   -15.89107 -14.21171 1.000 28.04151 ? 656  ASP   A N    1 
ATOM   313  C CA   . ASP   A 1 79  ? 4.51719   -16.17123 -12.77878 1.000 29.73856 ? 656  ASP   A CA   1 
ATOM   314  C C    . ASP   A 1 79  ? 4.05820   -14.95910 -11.98061 1.000 32.61172 ? 656  ASP   A C    1 
ATOM   315  O O    . ASP   A 1 79  ? 3.17127   -15.05671 -11.12545 1.000 32.00274 ? 656  ASP   A O    1 
ATOM   316  C CB   . ASP   A 1 79  ? 5.92938   -16.58271 -12.35524 1.000 32.97210 ? 656  ASP   A CB   1 
ATOM   317  C CG   . ASP   A 1 79  ? 6.31005   -17.95940 -12.86156 1.000 35.11061 ? 656  ASP   A CG   1 
ATOM   318  O OD1  . ASP   A 1 79  ? 5.40821   -18.81203 -13.02970 1.000 31.02509 ? 656  ASP   A OD1  1 
ATOM   319  O OD2  . ASP   A 1 79  ? 7.51356   -18.19220 -13.09206 1.000 41.82813 ? 656  ASP   A OD2  1 
ATOM   320  N N    . ASN   A 1 80  ? 4.63697   -13.79703 -12.26920 1.000 31.75966 ? 657  ASN   A N    1 
ATOM   321  C CA   . ASN   A 1 80  ? 4.36729   -12.62745 -11.44248 1.000 36.20299 ? 657  ASN   A CA   1 
ATOM   322  C C    . ASN   A 1 80  ? 2.91157   -12.19735 -11.54960 1.000 34.02644 ? 657  ASN   A C    1 
ATOM   323  O O    . ASN   A 1 80  ? 2.29370   -11.82592 -10.54613 1.000 33.99522 ? 657  ASN   A O    1 
ATOM   324  C CB   . ASN   A 1 80  ? 5.30608   -11.48538 -11.82909 1.000 38.54982 ? 657  ASN   A CB   1 
ATOM   325  C CG   . ASN   A 1 80  ? 6.74535   -11.75593 -11.41829 1.000 47.75328 ? 657  ASN   A CG   1 
ATOM   326  O OD1  . ASN   A 1 80  ? 7.01816   -12.66078 -10.62144 1.000 49.92027 ? 657  ASN   A OD1  1 
ATOM   327  N ND2  . ASN   A 1 80  ? 7.67370   -10.97087 -11.95385 1.000 47.09420 ? 657  ASN   A ND2  1 
ATOM   328  N N    . GLU   A 1 81  ? 2.33989   -12.24021 -12.75066 1.000 33.06746 ? 658  GLU   A N    1 
ATOM   329  C CA   . GLU   A 1 81  ? 0.94789   -11.82138 -12.88157 1.000 32.03318 ? 658  GLU   A CA   1 
ATOM   330  C C    . GLU   A 1 81  ? 0.00588   -12.84235 -12.26147 1.000 31.24785 ? 658  GLU   A C    1 
ATOM   331  O O    . GLU   A 1 81  ? -0.98972  -12.47010 -11.63686 1.000 34.24112 ? 658  GLU   A O    1 
ATOM   332  C CB   . GLU   A 1 81  ? 0.60354   -11.57296 -14.35000 1.000 32.00783 ? 658  GLU   A CB   1 
ATOM   333  C CG   . GLU   A 1 81  ? 1.07530   -10.20464 -14.84095 1.000 29.58361 ? 658  GLU   A CG   1 
ATOM   334  C CD   . GLU   A 1 81  ? 1.02350   -10.09512 -16.34420 1.000 32.85105 ? 658  GLU   A CD   1 
ATOM   335  O OE1  . GLU   A 1 81  ? 1.37784   -11.08524 -17.02086 1.000 33.07802 ? 658  GLU   A OE1  1 
ATOM   336  O OE2  . GLU   A 1 81  ? 0.62904   -9.02879  -16.84896 1.000 34.51031 ? 658  GLU   A OE2  1 
ATOM   337  N N    . THR   A 1 82  ? 0.30716   -14.13262 -12.40545 1.000 29.79915 ? 659  THR   A N    1 
ATOM   338  C CA   . THR   A 1 82  ? -0.51878  -15.14172 -11.75088 1.000 32.81583 ? 659  THR   A CA   1 
ATOM   339  C C    . THR   A 1 82  ? -0.49878  -14.96787 -10.23797 1.000 33.26290 ? 659  THR   A C    1 
ATOM   340  O O    . THR   A 1 82  ? -1.54703  -15.03878 -9.58386  1.000 32.20387 ? 659  THR   A O    1 
ATOM   341  C CB   . THR   A 1 82  ? -0.04644  -16.54675 -12.13090 1.000 29.51044 ? 659  THR   A CB   1 
ATOM   342  O OG1  . THR   A 1 82  ? -0.05749  -16.69559 -13.55770 1.000 26.52218 ? 659  THR   A OG1  1 
ATOM   343  C CG2  . THR   A 1 82  ? -0.95026  -17.60075 -11.51063 1.000 28.22538 ? 659  THR   A CG2  1 
ATOM   344  N N    . LYS   A 1 83  ? 0.68767   -14.74697 -9.66200  1.000 33.97449 ? 660  LYS   A N    1 
ATOM   345  C CA   . LYS   A 1 83  ? 0.77712   -14.51055 -8.22320  1.000 33.12688 ? 660  LYS   A CA   1 
ATOM   346  C C    . LYS   A 1 83  ? -0.02710  -13.28547 -7.81482  1.000 36.37883 ? 660  LYS   A C    1 
ATOM   347  O O    . LYS   A 1 83  ? -0.75432  -13.30673 -6.81274  1.000 36.12480 ? 660  LYS   A O    1 
ATOM   348  C CB   . LYS   A 1 83  ? 2.23856   -14.33126 -7.80566  1.000 35.95832 ? 660  LYS   A CB   1 
ATOM   349  C CG   . LYS   A 1 83  ? 3.13022   -15.53789 -8.01155  1.000 39.92831 ? 660  LYS   A CG   1 
ATOM   350  C CD   . LYS   A 1 83  ? 4.57073   -15.20780 -7.62619  1.000 46.45480 ? 660  LYS   A CD   1 
ATOM   351  C CE   . LYS   A 1 83  ? 5.46580   -16.42675 -7.73633  1.000 49.72280 ? 660  LYS   A CE   1 
ATOM   352  N NZ   . LYS   A 1 83  ? 4.82839   -17.60740 -7.08967  1.000 54.20331 ? 660  LYS   A NZ   1 
ATOM   353  N N    . LEU   A 1 84  ? 0.09699   -12.20051 -8.57550  1.000 37.32830 ? 661  LEU   A N    1 
ATOM   354  C CA   . LEU   A 1 84  ? -0.54690  -10.95453 -8.17897  1.000 38.46210 ? 661  LEU   A CA   1 
ATOM   355  C C    . LEU   A 1 84  ? -2.06302  -11.05854 -8.25923  1.000 37.16235 ? 661  LEU   A C    1 
ATOM   356  O O    . LEU   A 1 84  ? -2.77319  -10.56418 -7.37350  1.000 40.90530 ? 661  LEU   A O    1 
ATOM   357  C CB   . LEU   A 1 84  ? -0.05257  -9.81254  -9.06091  1.000 41.35108 ? 661  LEU   A CB   1 
ATOM   358  C CG   . LEU   A 1 84  ? -0.82190  -8.49925  -8.88716  1.000 47.34597 ? 661  LEU   A CG   1 
ATOM   359  C CD1  . LEU   A 1 84  ? -0.67541  -7.99224  -7.46453  1.000 45.74816 ? 661  LEU   A CD1  1 
ATOM   360  C CD2  . LEU   A 1 84  ? -0.35533  -7.45871  -9.89729  1.000 47.67180 ? 661  LEU   A CD2  1 
ATOM   361  N N    . PHE   A 1 85  ? -2.57291  -11.68705 -9.31528  1.000 36.36888 ? 662  PHE   A N    1 
ATOM   362  C CA   . PHE   A 1 85  ? -3.99518  -11.67696 -9.62266  1.000 39.07637 ? 662  PHE   A CA   1 
ATOM   363  C C    . PHE   A 1 85  ? -4.74000  -12.90028 -9.11568  1.000 40.46287 ? 662  PHE   A C    1 
ATOM   364  O O    . PHE   A 1 85  ? -5.91503  -12.77964 -8.75278  1.000 47.08305 ? 662  PHE   A O    1 
ATOM   365  C CB   . PHE   A 1 85  ? -4.19749  -11.53331 -11.13329 1.000 37.48705 ? 662  PHE   A CB   1 
ATOM   366  C CG   . PHE   A 1 85  ? -3.71597  -10.21227 -11.67831 1.000 38.10398 ? 662  PHE   A CG   1 
ATOM   367  C CD1  . PHE   A 1 85  ? -4.07900  -9.02885  -11.07083 1.000 43.21967 ? 662  PHE   A CD1  1 
ATOM   368  C CD2  . PHE   A 1 85  ? -2.87142  -10.16184 -12.78094 1.000 40.19326 ? 662  PHE   A CD2  1 
ATOM   369  C CE1  . PHE   A 1 85  ? -3.63346  -7.81168  -11.56126 1.000 47.60916 ? 662  PHE   A CE1  1 
ATOM   370  C CE2  . PHE   A 1 85  ? -2.42021  -8.94697  -13.27196 1.000 37.80547 ? 662  PHE   A CE2  1 
ATOM   371  C CZ   . PHE   A 1 85  ? -2.80322  -7.77270  -12.66231 1.000 45.37765 ? 662  PHE   A CZ   1 
ATOM   372  N N    . LYS   A 1 86  ? -4.09721  -14.06559 -9.05577  1.000 37.56538 ? 663  LYS   A N    1 
ATOM   373  C CA   . LYS   A 1 86  ? -4.73703  -15.22493 -8.45506  1.000 36.37934 ? 663  LYS   A CA   1 
ATOM   374  C C    . LYS   A 1 86  ? -4.24702  -15.51179 -7.04491  1.000 39.43852 ? 663  LYS   A C    1 
ATOM   375  O O    . LYS   A 1 86  ? -4.95829  -16.17789 -6.28650  1.000 42.54937 ? 663  LYS   A O    1 
ATOM   376  C CB   . LYS   A 1 86  ? -4.54468  -16.45508 -9.34343  1.000 37.85225 ? 663  LYS   A CB   1 
ATOM   377  C CG   . LYS   A 1 86  ? -5.33941  -16.33349 -10.62320 1.000 40.79594 ? 663  LYS   A CG   1 
ATOM   378  C CD   . LYS   A 1 86  ? -5.59252  -17.67061 -11.26986 1.000 46.17240 ? 663  LYS   A CD   1 
ATOM   379  C CE   . LYS   A 1 86  ? -6.62303  -17.54443 -12.39083 1.000 46.74267 ? 663  LYS   A CE   1 
ATOM   380  N NZ   . LYS   A 1 86  ? -7.94366  -17.07858 -11.88040 1.000 50.11749 ? 663  LYS   A NZ   1 
ATOM   381  N N    . GLY   A 1 87  ? -3.07447  -15.00633 -6.66896  1.000 38.94094 ? 664  GLY   A N    1 
ATOM   382  C CA   . GLY   A 1 87  ? -2.56435  -15.12041 -5.31738  1.000 37.36735 ? 664  GLY   A CA   1 
ATOM   383  C C    . GLY   A 1 87  ? -1.45161  -16.12859 -5.14777  1.000 38.06876 ? 664  GLY   A C    1 
ATOM   384  O O    . GLY   A 1 87  ? -0.77022  -16.09567 -4.11400  1.000 38.27780 ? 664  GLY   A O    1 
ATOM   385  N N    . GLN   A 1 88  ? -1.23342  -17.01538 -6.11608  1.000 36.80868 ? 665  GLN   A N    1 
ATOM   386  C CA   . GLN   A 1 88  ? -0.24822  -18.07474 -5.95699  1.000 36.00692 ? 665  GLN   A CA   1 
ATOM   387  C C    . GLN   A 1 88  ? -0.06311  -18.79086 -7.28505  1.000 34.00516 ? 665  GLN   A C    1 
ATOM   388  O O    . GLN   A 1 88  ? -0.87940  -18.66451 -8.20398  1.000 35.11751 ? 665  GLN   A O    1 
ATOM   389  C CB   . GLN   A 1 88  ? -0.67314  -19.07679 -4.87783  1.000 35.13522 ? 665  GLN   A CB   1 
ATOM   390  C CG   . GLN   A 1 88  ? -1.85998  -19.93150 -5.28864  1.000 35.04431 ? 665  GLN   A CG   1 
ATOM   391  C CD   . GLN   A 1 88  ? -3.17912  -19.16111 -5.27972  1.000 38.97059 ? 665  GLN   A CD   1 
ATOM   392  O OE1  . GLN   A 1 88  ? -3.56549  -18.58708 -4.26555  1.000 42.86491 ? 665  GLN   A OE1  1 
ATOM   393  N NE2  . GLN   A 1 88  ? -3.87309  -19.15500 -6.41218  1.000 41.11857 ? 665  GLN   A NE2  1 
ATOM   394  N N    . VAL   A 1 89  ? 1.02133   -19.55224 -7.36762  1.000 30.77026 ? 666  VAL   A N    1 
ATOM   395  C CA   . VAL   A 1 89  ? 1.24970   -20.47330 -8.48164  1.000 31.27850 ? 666  VAL   A CA   1 
ATOM   396  C C    . VAL   A 1 89  ? 2.30076   -21.47429 -8.02940  1.000 32.70224 ? 666  VAL   A C    1 
ATOM   397  O O    . VAL   A 1 89  ? 3.26737   -21.10735 -7.35932  1.000 33.64561 ? 666  VAL   A O    1 
ATOM   398  C CB   . VAL   A 1 89  ? 1.69113   -19.72750 -9.76374  1.000 32.81033 ? 666  VAL   A CB   1 
ATOM   399  C CG1  . VAL   A 1 89  ? 3.10081   -19.18000 -9.59142  1.000 36.67327 ? 666  VAL   A CG1  1 
ATOM   400  C CG2  . VAL   A 1 89  ? 1.61851   -20.64956 -10.97615 1.000 30.03723 ? 666  VAL   A CG2  1 
ATOM   401  N N    . VAL   A 1 90  ? 2.10926   -22.74118 -8.39539  1.000 28.92109 ? 667  VAL   A N    1 
ATOM   402  C CA   . VAL   A 1 90  ? 3.00568   -23.80138 -7.93451  1.000 28.43984 ? 667  VAL   A CA   1 
ATOM   403  C C    . VAL   A 1 90  ? 4.17054   -23.99963 -8.89423  1.000 28.92265 ? 667  VAL   A C    1 
ATOM   404  O O    . VAL   A 1 90  ? 5.33219   -24.03417 -8.47848  1.000 26.05443 ? 667  VAL   A O    1 
ATOM   405  C CB   . VAL   A 1 90  ? 2.22664   -25.12116 -7.73590  1.000 27.77668 ? 667  VAL   A CB   1 
ATOM   406  C CG1  . VAL   A 1 90  ? 3.15998   -26.20101 -7.21890  1.000 30.69504 ? 667  VAL   A CG1  1 
ATOM   407  C CG2  . VAL   A 1 90  ? 1.04333   -24.91822 -6.79707  1.000 27.87708 ? 667  VAL   A CG2  1 
ATOM   408  N N    . GLN   A 1 91  ? 3.88356   -24.14807 -10.18574 1.000 26.25298 ? 668  GLN   A N    1 
ATOM   409  C CA   . GLN   A 1 91  ? 4.90689   -24.42286 -11.18549 1.000 26.47887 ? 668  GLN   A CA   1 
ATOM   410  C C    . GLN   A 1 91  ? 5.33198   -23.13847 -11.88262 1.000 26.24513 ? 668  GLN   A C    1 
ATOM   411  O O    . GLN   A 1 91  ? 4.53800   -22.21232 -12.05657 1.000 26.10680 ? 668  GLN   A O    1 
ATOM   412  C CB   . GLN   A 1 91  ? 4.40247   -25.43532 -12.22077 1.000 24.76879 ? 668  GLN   A CB   1 
ATOM   413  C CG   . GLN   A 1 91  ? 4.33185   -26.85399 -11.68261 1.000 26.56183 ? 668  GLN   A CG   1 
ATOM   414  C CD   . GLN   A 1 91  ? 3.81792   -27.83881 -12.71051 1.000 29.09625 ? 668  GLN   A CD   1 
ATOM   415  O OE1  . GLN   A 1 91  ? 2.66580   -27.76951 -13.13299 1.000 25.74646 ? 668  GLN   A OE1  1 
ATOM   416  N NE2  . GLN   A 1 91  ? 4.67636   -28.75948 -13.12072 1.000 27.62059 ? 668  GLN   A NE2  1 
ATOM   417  N N    . THR   A 1 92  ? 6.60962   -23.07761 -12.25323 1.000 26.02037 ? 669  THR   A N    1 
ATOM   418  C CA   . THR   A 1 92  ? 7.13300   -21.91001 -12.94481 1.000 23.37316 ? 669  THR   A CA   1 
ATOM   419  C C    . THR   A 1 92  ? 6.55657   -21.82611 -14.35621 1.000 24.49808 ? 669  THR   A C    1 
ATOM   420  O O    . THR   A 1 92  ? 6.00761   -22.79069 -14.89177 1.000 24.12461 ? 669  THR   A O    1 
ATOM   421  C CB   . THR   A 1 92  ? 8.65266   -21.97822 -13.03931 1.000 29.08032 ? 669  THR   A CB   1 
ATOM   422  O OG1  . THR   A 1 92  ? 9.00119   -23.10670 -13.84826 1.000 25.64099 ? 669  THR   A OG1  1 
ATOM   423  C CG2  . THR   A 1 92  ? 9.25835   -22.13961 -11.66653 1.000 31.35732 ? 669  THR   A CG2  1 
ATOM   424  N N    . LEU   A 1 93  ? 6.72274   -20.65899 -14.98186 1.000 26.44250 ? 670  LEU   A N    1 
ATOM   425  C CA   . LEU   A 1 93  ? 6.31215   -20.51984 -16.37468 1.000 26.04467 ? 670  LEU   A CA   1 
ATOM   426  C C    . LEU   A 1 93  ? 6.99353   -21.56850 -17.24713 1.000 23.44081 ? 670  LEU   A C    1 
ATOM   427  O O    . LEU   A 1 93  ? 6.34537   -22.21415 -18.08031 1.000 23.59495 ? 670  LEU   A O    1 
ATOM   428  C CB   . LEU   A 1 93  ? 6.62182   -19.11146 -16.87874 1.000 27.03486 ? 670  LEU   A CB   1 
ATOM   429  C CG   . LEU   A 1 93  ? 6.26567   -18.85057 -18.34776 1.000 26.25022 ? 670  LEU   A CG   1 
ATOM   430  C CD1  . LEU   A 1 93  ? 4.75791   -18.84036 -18.54748 1.000 25.04047 ? 670  LEU   A CD1  1 
ATOM   431  C CD2  . LEU   A 1 93  ? 6.87596   -17.55970 -18.83011 1.000 24.71724 ? 670  LEU   A CD2  1 
ATOM   432  N N    . GLU   A 1 94  ? 8.28891   -21.79117 -17.03051 1.000 26.17341 ? 671  GLU   A N    1 
ATOM   433  C CA   . GLU   A 1 94  ? 9.01886   -22.78015 -17.81808 1.000 25.68478 ? 671  GLU   A CA   1 
ATOM   434  C C    . GLU   A 1 94  ? 8.40333   -24.17283 -17.67854 1.000 25.27568 ? 671  GLU   A C    1 
ATOM   435  O O    . GLU   A 1 94  ? 8.18990   -24.87211 -18.67620 1.000 25.55568 ? 671  GLU   A O    1 
ATOM   436  C CB   . GLU   A 1 94  ? 10.49176  -22.77979 -17.39206 1.000 27.24428 ? 671  GLU   A CB   1 
ATOM   437  C CG   . GLU   A 1 94  ? 11.18647  -21.41978 -17.58962 1.000 35.18108 ? 671  GLU   A CG   1 
ATOM   438  C CD   . GLU   A 1 94  ? 10.69541  -20.26790 -16.65983 1.000 40.94955 ? 671  GLU   A CD   1 
ATOM   439  O OE1  . GLU   A 1 94  ? 10.28324  -20.50643 -15.50169 1.000 35.70849 ? 671  GLU   A OE1  1 
ATOM   440  O OE2  . GLU   A 1 94  ? 10.72412  -19.09595 -17.10928 1.000 46.10416 ? 671  GLU   A OE2  1 
ATOM   441  N N    . GLU   A 1 95  ? 8.11017   -24.59729 -16.44397 1.000 22.98592 ? 672  GLU   A N    1 
ATOM   442  C CA   . GLU   A 1 95  ? 7.51043   -25.91420 -16.22543 1.000 22.20262 ? 672  GLU   A CA   1 
ATOM   443  C C    . GLU   A 1 95  ? 6.11637   -26.01218 -16.83991 1.000 23.36207 ? 672  GLU   A C    1 
ATOM   444  O O    . GLU   A 1 95  ? 5.77122   -27.02112 -17.46119 1.000 23.56062 ? 672  GLU   A O    1 
ATOM   445  C CB   . GLU   A 1 95  ? 7.44210   -26.21025 -14.72237 1.000 22.69855 ? 672  GLU   A CB   1 
ATOM   446  C CG   . GLU   A 1 95  ? 8.79507   -26.39704 -14.06095 1.000 27.82346 ? 672  GLU   A CG   1 
ATOM   447  C CD   . GLU   A 1 95  ? 8.71672   -26.36761 -12.54917 1.000 31.24114 ? 672  GLU   A CD   1 
ATOM   448  O OE1  . GLU   A 1 95  ? 7.68617   -25.89372 -12.02401 1.000 29.66456 ? 672  GLU   A OE1  1 
ATOM   449  O OE2  . GLU   A 1 95  ? 9.68126   -26.82051 -11.89343 1.000 31.07687 ? 672  GLU   A OE2  1 
ATOM   450  N N    . ARG   A 1 96  ? 5.28674   -24.98749 -16.65860 1.000 21.79749 ? 673  ARG   A N    1 
ATOM   451  C CA   . ARG   A 1 96  ? 3.91755   -25.06678 -17.16892 1.000 21.66436 ? 673  ARG   A CA   1 
ATOM   452  C C    . ARG   A 1 96  ? 3.90618   -25.07720 -18.69311 1.000 21.94003 ? 673  ARG   A C    1 
ATOM   453  O O    . ARG   A 1 96  ? 3.08506   -25.75936 -19.31697 1.000 22.37120 ? 673  ARG   A O    1 
ATOM   454  C CB   . ARG   A 1 96  ? 3.09220   -23.90381 -16.61966 1.000 20.15772 ? 673  ARG   A CB   1 
ATOM   455  C CG   . ARG   A 1 96  ? 3.01432   -23.93909 -15.08249 1.000 21.47334 ? 673  ARG   A CG   1 
ATOM   456  C CD   . ARG   A 1 96  ? 2.16791   -22.79464 -14.49892 1.000 24.19518 ? 673  ARG   A CD   1 
ATOM   457  N NE   . ARG   A 1 96  ? 2.91625   -21.55276 -14.34050 1.000 22.35075 ? 673  ARG   A NE   1 
ATOM   458  C CZ   . ARG   A 1 96  ? 2.61552   -20.40575 -14.93078 1.000 24.46456 ? 673  ARG   A CZ   1 
ATOM   459  N NH1  . ARG   A 1 96  ? 1.59128   -20.30344 -15.76349 1.000 21.14452 ? 673  ARG   A NH1  1 
ATOM   460  N NH2  . ARG   A 1 96  ? 3.35988   -19.32953 -14.67330 1.000 23.56343 ? 673  ARG   A NH2  1 
ATOM   461  N N    . THR   A 1 97  ? 4.81712   -24.32666 -19.30636 1.000 21.70878 ? 674  THR   A N    1 
ATOM   462  C CA   . THR   A 1 97  ? 4.90061   -24.29139 -20.76370 1.000 21.46886 ? 674  THR   A CA   1 
ATOM   463  C C    . THR   A 1 97  ? 5.47644   -25.59591 -21.31259 1.000 22.26825 ? 674  THR   A C    1 
ATOM   464  O O    . THR   A 1 97  ? 4.95449   -26.15904 -22.28538 1.000 21.85290 ? 674  THR   A O    1 
ATOM   465  C CB   . THR   A 1 97  ? 5.74869   -23.09229 -21.18308 1.000 23.94180 ? 674  THR   A CB   1 
ATOM   466  O OG1  . THR   A 1 97  ? 5.11979   -21.88720 -20.71855 1.000 26.18933 ? 674  THR   A OG1  1 
ATOM   467  C CG2  . THR   A 1 97  ? 5.91606   -23.01829 -22.70159 1.000 23.33686 ? 674  THR   A CG2  1 
ATOM   468  N N    . GLU   A 1 98  ? 6.55797   -26.08755 -20.70743 1.000 22.74308 ? 675  GLU   A N    1 
ATOM   469  C CA   . GLU   A 1 98  ? 7.15834   -27.33204 -21.17773 1.000 23.50603 ? 675  GLU   A CA   1 
ATOM   470  C C    . GLU   A 1 98  ? 6.17607   -28.49163 -21.08953 1.000 24.00549 ? 675  GLU   A C    1 
ATOM   471  O O    . GLU   A 1 98  ? 6.21763   -29.39441 -21.92976 1.000 25.63719 ? 675  GLU   A O    1 
ATOM   472  C CB   . GLU   A 1 98  ? 8.43691   -27.63466 -20.38071 1.000 26.28569 ? 675  GLU   A CB   1 
ATOM   473  C CG   . GLU   A 1 98  ? 9.19862   -28.86358 -20.85559 1.000 31.11278 ? 675  GLU   A CG   1 
ATOM   474  C CD   . GLU   A 1 98  ? 10.56867  -29.00767 -20.22489 1.000 36.93941 ? 675  GLU   A CD   1 
ATOM   475  O OE1  . GLU   A 1 98  ? 10.87356  -28.25391 -19.27874 1.000 36.59703 ? 675  GLU   A OE1  1 
ATOM   476  O OE2  . GLU   A 1 98  ? 11.34637  -29.87908 -20.68112 1.000 37.67180 ? 675  GLU   A OE2  1 
ATOM   477  N N    . THR   A 1 99  ? 5.28309   -28.49344 -20.09533 1.000 19.78520 ? 676  THR   A N    1 
ATOM   478  C CA   . THR   A 1 99  ? 4.29636   -29.57260 -20.02434 1.000 22.97699 ? 676  THR   A CA   1 
ATOM   479  C C    . THR   A 1 99  ? 3.26635   -29.47287 -21.14910 1.000 21.23493 ? 676  THR   A C    1 
ATOM   480  O O    . THR   A 1 99  ? 2.91054   -30.48506 -21.76977 1.000 22.04511 ? 676  THR   A O    1 
ATOM   481  C CB   . THR   A 1 99  ? 3.59569   -29.56302 -18.66574 1.000 26.47838 ? 676  THR   A CB   1 
ATOM   482  O OG1  . THR   A 1 99  ? 4.57156   -29.70693 -17.62245 1.000 25.23674 ? 676  THR   A OG1  1 
ATOM   483  C CG2  . THR   A 1 99  ? 2.58533   -30.71924 -18.57718 1.000 23.22416 ? 676  THR   A CG2  1 
ATOM   484  N N    . LEU   A 1 100 ? 2.80420   -28.25875 -21.45136 1.000 20.88471 ? 677  LEU   A N    1 
ATOM   485  C CA   . LEU   A 1 100 ? 1.83175   -28.07076 -22.52333 1.000 21.23447 ? 677  LEU   A CA   1 
ATOM   486  C C    . LEU   A 1 100 ? 2.38648   -28.46018 -23.88254 1.000 22.20143 ? 677  LEU   A C    1 
ATOM   487  O O    . LEU   A 1 100 ? 1.63313   -28.88193 -24.76653 1.000 22.23121 ? 677  LEU   A O    1 
ATOM   488  C CB   . LEU   A 1 100 ? 1.38241   -26.61495 -22.55012 1.000 23.03156 ? 677  LEU   A CB   1 
ATOM   489  C CG   . LEU   A 1 100 ? 0.34948   -26.26128 -21.49264 1.000 22.86253 ? 677  LEU   A CG   1 
ATOM   490  C CD1  . LEU   A 1 100 ? 0.31703   -24.74342 -21.31003 1.000 22.06695 ? 677  LEU   A CD1  1 
ATOM   491  C CD2  . LEU   A 1 100 ? -1.00878  -26.76860 -21.94086 1.000 23.23054 ? 677  LEU   A CD2  1 
ATOM   492  N N    . LYS   A 1 101 ? 3.69534   -28.31072 -24.07308 1.000 21.24642 ? 678  LYS   A N    1 
ATOM   493  C CA   . LYS   A 1 101 ? 4.32087   -28.67813 -25.33449 1.000 24.15040 ? 678  LYS   A CA   1 
ATOM   494  C C    . LYS   A 1 101 ? 4.06568   -30.13907 -25.68993 1.000 24.21754 ? 678  LYS   A C    1 
ATOM   495  O O    . LYS   A 1 101 ? 4.07375   -30.50023 -26.87493 1.000 24.29053 ? 678  LYS   A O    1 
ATOM   496  C CB   . LYS   A 1 101 ? 5.81573   -28.40202 -25.23121 1.000 25.19392 ? 678  LYS   A CB   1 
ATOM   497  C CG   . LYS   A 1 101 ? 6.64321   -28.85371 -26.40938 1.000 29.88223 ? 678  LYS   A CG   1 
ATOM   498  C CD   . LYS   A 1 101 ? 8.11920   -28.66748 -26.11407 1.000 30.34528 ? 678  LYS   A CD   1 
ATOM   499  C CE   . LYS   A 1 101 ? 8.64528   -29.72770 -25.13424 1.000 33.12271 ? 678  LYS   A CE   1 
ATOM   500  N NZ   . LYS   A 1 101 ? 10.13752  -29.68838 -25.03786 1.000 31.48994 ? 678  LYS   A NZ   1 
ATOM   501  N N    . HIS   A 1 102 ? 3.87050   -30.99351 -24.68642 1.000 20.64832 ? 679  HIS   A N    1 
ATOM   502  C CA   . HIS   A 1 102 ? 3.67393   -32.42226 -24.89721 1.000 21.63064 ? 679  HIS   A CA   1 
ATOM   503  C C    . HIS   A 1 102 ? 2.22185   -32.78755 -25.16598 1.000 22.14845 ? 679  HIS   A C    1 
ATOM   504  O O    . HIS   A 1 102 ? 1.93032   -33.96904 -25.39333 1.000 23.17436 ? 679  HIS   A O    1 
ATOM   505  C CB   . HIS   A 1 102 ? 4.18797   -33.21391 -23.68529 1.000 20.83806 ? 679  HIS   A CB   1 
ATOM   506  C CG   . HIS   A 1 102 ? 5.67108   -33.12283 -23.49759 1.000 22.77643 ? 679  HIS   A CG   1 
ATOM   507  N ND1  . HIS   A 1 102 ? 6.55534   -33.97315 -24.12738 1.000 25.36308 ? 679  HIS   A ND1  1 
ATOM   508  C CD2  . HIS   A 1 102 ? 6.42795   -32.25732 -22.78297 1.000 22.18078 ? 679  HIS   A CD2  1 
ATOM   509  C CE1  . HIS   A 1 102 ? 7.79277   -33.64963 -23.79375 1.000 24.49654 ? 679  HIS   A CE1  1 
ATOM   510  N NE2  . HIS   A 1 102 ? 7.74373   -32.60180 -22.98962 1.000 23.16618 ? 679  HIS   A NE2  1 
ATOM   511  N N    . ILE   A 1 103 ? 1.31183   -31.82069 -25.16823 1.000 22.47102 ? 680  ILE   A N    1 
ATOM   512  C CA   . ILE   A 1 103 ? -0.11131  -32.11572 -25.29524 1.000 21.36394 ? 680  ILE   A CA   1 
ATOM   513  C C    . ILE   A 1 103 ? -0.49920  -32.09210 -26.76822 1.000 22.41632 ? 680  ILE   A C    1 
ATOM   514  O O    . ILE   A 1 103 ? -0.21113  -31.12597 -27.48562 1.000 21.82768 ? 680  ILE   A O    1 
ATOM   515  C CB   . ILE   A 1 103 ? -0.95032  -31.12048 -24.48165 1.000 22.23389 ? 680  ILE   A CB   1 
ATOM   516  C CG1  . ILE   A 1 103 ? -0.53320  -31.17477 -23.00464 1.000 19.70638 ? 680  ILE   A CG1  1 
ATOM   517  C CG2  . ILE   A 1 103 ? -2.42834  -31.43316 -24.61655 1.000 19.37080 ? 680  ILE   A CG2  1 
ATOM   518  C CD1  . ILE   A 1 103 ? -0.48626  -32.58364 -22.43715 1.000 21.86918 ? 680  ILE   A CD1  1 
ATOM   519  N N    . ARG   A 1 104 ? -1.18083  -33.14973 -27.20499 1.000 21.13874 ? 681  ARG   A N    1 
ATOM   520  C CA   . ARG   A 1 104 ? -1.48994  -33.35880 -28.62076 1.000 23.01242 ? 681  ARG   A CA   1 
ATOM   521  C C    . ARG   A 1 104 ? -2.17316  -32.15323 -29.26869 1.000 22.54397 ? 681  ARG   A C    1 
ATOM   522  O O    . ARG   A 1 104 ? -1.88354  -31.81316 -30.42298 1.000 24.96182 ? 681  ARG   A O    1 
ATOM   523  C CB   . ARG   A 1 104 ? -2.36961  -34.60634 -28.74669 1.000 25.63332 ? 681  ARG   A CB   1 
ATOM   524  C CG   . ARG   A 1 104 ? -2.70909  -35.01858 -30.14959 1.000 31.13656 ? 681  ARG   A CG   1 
ATOM   525  C CD   . ARG   A 1 104 ? -3.69192  -36.20357 -30.15577 1.000 29.58978 ? 681  ARG   A CD   1 
ATOM   526  N NE   . ARG   A 1 104 ? -3.26179  -37.33643 -29.34574 1.000 28.44609 ? 681  ARG   A NE   1 
ATOM   527  C CZ   . ARG   A 1 104 ? -2.38767  -38.25670 -29.73287 1.000 31.87478 ? 681  ARG   A CZ   1 
ATOM   528  N NH1  . ARG   A 1 104 ? -1.75368  -38.16788 -30.89646 1.000 30.85316 ? 681  ARG   A NH1  1 
ATOM   529  N NH2  . ARG   A 1 104 ? -2.14142  -39.29081 -28.93288 1.000 26.23338 ? 681  ARG   A NH2  1 
ATOM   530  N N    . TRP   A 1 105 ? -3.11114  -31.52540 -28.56426 1.000 19.58273 ? 682  TRP   A N    1 
ATOM   531  C CA   . TRP   A 1 105 ? -3.99512  -30.51416 -29.14245 1.000 21.74778 ? 682  TRP   A CA   1 
ATOM   532  C C    . TRP   A 1 105 ? -3.32476  -29.16546 -29.30345 1.000 21.53447 ? 682  TRP   A C    1 
ATOM   533  O O    . TRP   A 1 105 ? -3.87101  -28.29557 -29.99262 1.000 21.75611 ? 682  TRP   A O    1 
ATOM   534  C CB   . TRP   A 1 105 ? -5.23004  -30.33487 -28.24978 1.000 18.76789 ? 682  TRP   A CB   1 
ATOM   535  C CG   . TRP   A 1 105 ? -5.64425  -31.63814 -27.70644 1.000 20.87156 ? 682  TRP   A CG   1 
ATOM   536  C CD1  . TRP   A 1 105 ? -5.55795  -32.05527 -26.41692 1.000 21.72789 ? 682  TRP   A CD1  1 
ATOM   537  C CD2  . TRP   A 1 105 ? -6.14584  -32.74186 -28.45522 1.000 23.08605 ? 682  TRP   A CD2  1 
ATOM   538  N NE1  . TRP   A 1 105 ? -5.99852  -33.34528 -26.30827 1.000 22.19967 ? 682  TRP   A NE1  1 
ATOM   539  C CE2  . TRP   A 1 105 ? -6.37503  -33.79058 -27.54526 1.000 23.08881 ? 682  TRP   A CE2  1 
ATOM   540  C CE3  . TRP   A 1 105 ? -6.44766  -32.93831 -29.80111 1.000 22.58195 ? 682  TRP   A CE3  1 
ATOM   541  C CZ2  . TRP   A 1 105 ? -6.87788  -35.01806 -27.93977 1.000 25.62220 ? 682  TRP   A CZ2  1 
ATOM   542  C CZ3  . TRP   A 1 105 ? -6.96127  -34.16433 -30.19203 1.000 25.80098 ? 682  TRP   A CZ3  1 
ATOM   543  C CH2  . TRP   A 1 105 ? -7.16726  -35.18464 -29.26404 1.000 26.56332 ? 682  TRP   A CH2  1 
ATOM   544  N N    . VAL   A 1 106 ? -2.17835  -28.96781 -28.67036 1.000 20.19271 ? 683  VAL   A N    1 
ATOM   545  C CA   . VAL   A 1 106 ? -1.55047  -27.65433 -28.62932 1.000 21.59047 ? 683  VAL   A CA   1 
ATOM   546  C C    . VAL   A 1 106 ? -0.73106  -27.47564 -29.90102 1.000 22.46179 ? 683  VAL   A C    1 
ATOM   547  O O    . VAL   A 1 106 ? 0.20371   -28.24037 -30.16525 1.000 24.31660 ? 683  VAL   A O    1 
ATOM   548  C CB   . VAL   A 1 106 ? -0.67495  -27.51278 -27.38075 1.000 21.80739 ? 683  VAL   A CB   1 
ATOM   549  C CG1  . VAL   A 1 106 ? 0.05532   -26.18225 -27.39519 1.000 20.85857 ? 683  VAL   A CG1  1 
ATOM   550  C CG2  . VAL   A 1 106 ? -1.53481  -27.66876 -26.11033 1.000 20.33040 ? 683  VAL   A CG2  1 
ATOM   551  N N    . ASP   A 1 107 ? -1.08132  -26.47627 -30.70512 1.000 21.98369 ? 684  ASP   A N    1 
ATOM   552  C CA   . ASP   A 1 107 ? -0.31821  -26.22174 -31.92149 1.000 22.54423 ? 684  ASP   A CA   1 
ATOM   553  C C    . ASP   A 1 107 ? 0.76577   -25.16402 -31.74918 1.000 22.90442 ? 684  ASP   A C    1 
ATOM   554  O O    . ASP   A 1 107 ? 1.85388   -25.29528 -32.32275 1.000 24.04500 ? 684  ASP   A O    1 
ATOM   555  C CB   . ASP   A 1 107 ? -1.25583  -25.81439 -33.05421 1.000 25.22987 ? 684  ASP   A CB   1 
ATOM   556  C CG   . ASP   A 1 107 ? -2.22524  -26.91820 -33.41274 1.000 26.90441 ? 684  ASP   A CG   1 
ATOM   557  O OD1  . ASP   A 1 107 ? -1.77996  -28.07471 -33.58861 1.000 27.99093 ? 684  ASP   A OD1  1 
ATOM   558  O OD2  . ASP   A 1 107 ? -3.43127  -26.64671 -33.48075 1.000 26.10719 ? 684  ASP   A OD2  1 
ATOM   559  N N    . GLU   A 1 108 ? 0.49970   -24.12190 -30.97508 1.000 21.32546 ? 685  GLU   A N    1 
ATOM   560  C CA   . GLU   A 1 108 ? 1.43850   -23.03386 -30.75468 1.000 21.02615 ? 685  GLU   A CA   1 
ATOM   561  C C    . GLU   A 1 108 ? 1.25454   -22.55773 -29.32177 1.000 19.69417 ? 685  GLU   A C    1 
ATOM   562  O O    . GLU   A 1 108 ? 0.16739   -22.68267 -28.75635 1.000 22.11962 ? 685  GLU   A O    1 
ATOM   563  C CB   . GLU   A 1 108 ? 1.19860   -21.87056 -31.73519 1.000 23.91178 ? 685  GLU   A CB   1 
ATOM   564  C CG   . GLU   A 1 108 ? 1.07114   -22.29392 -33.20295 1.000 27.56002 ? 685  GLU   A CG   1 
ATOM   565  C CD   . GLU   A 1 108 ? 1.04990   -21.10533 -34.15688 1.000 34.38539 ? 685  GLU   A CD   1 
ATOM   566  O OE1  . GLU   A 1 108 ? 1.17206   -19.95329 -33.68632 1.000 34.38556 ? 685  GLU   A OE1  1 
ATOM   567  O OE2  . GLU   A 1 108 ? 0.93078   -21.33176 -35.38261 1.000 33.93700 ? 685  GLU   A OE2  1 
ATOM   568  N N    . ILE   A 1 109 ? 2.31668   -22.02755 -28.72335 1.000 20.98075 ? 686  ILE   A N    1 
ATOM   569  C CA   . ILE   A 1 109 ? 2.23106   -21.49101 -27.36884 1.000 21.99743 ? 686  ILE   A CA   1 
ATOM   570  C C    . ILE   A 1 109 ? 2.78642   -20.07866 -27.35354 1.000 22.94263 ? 686  ILE   A C    1 
ATOM   571  O O    . ILE   A 1 109 ? 3.85627   -19.81414 -27.91940 1.000 23.06107 ? 686  ILE   A O    1 
ATOM   572  C CB   . ILE   A 1 109 ? 2.98257   -22.35825 -26.33897 1.000 21.65603 ? 686  ILE   A CB   1 
ATOM   573  C CG1  . ILE   A 1 109 ? 2.37085   -23.75630 -26.28772 1.000 22.55107 ? 686  ILE   A CG1  1 
ATOM   574  C CG2  . ILE   A 1 109 ? 2.92567   -21.69224 -24.94526 1.000 22.11771 ? 686  ILE   A CG2  1 
ATOM   575  C CD1  . ILE   A 1 109 ? 2.97211   -24.63559 -25.23683 1.000 22.88109 ? 686  ILE   A CD1  1 
ATOM   576  N N    . ILE   A 1 110 ? 2.07169   -19.18386 -26.68289 1.000 20.51575 ? 687  ILE   A N    1 
ATOM   577  C CA   . ILE   A 1 110 ? 2.55942   -17.85287 -26.35289 1.000 21.36386 ? 687  ILE   A CA   1 
ATOM   578  C C    . ILE   A 1 110 ? 2.85763   -17.86797 -24.86412 1.000 22.29853 ? 687  ILE   A C    1 
ATOM   579  O O    . ILE   A 1 110 ? 1.93350   -17.94128 -24.04148 1.000 23.10651 ? 687  ILE   A O    1 
ATOM   580  C CB   . ILE   A 1 110 ? 1.54439   -16.75889 -26.70792 1.000 24.76195 ? 687  ILE   A CB   1 
ATOM   581  C CG1  . ILE   A 1 110 ? 1.24429   -16.79719 -28.20751 1.000 26.46336 ? 687  ILE   A CG1  1 
ATOM   582  C CG2  . ILE   A 1 110 ? 2.06579   -15.37192 -26.24988 1.000 23.99071 ? 687  ILE   A CG2  1 
ATOM   583  C CD1  . ILE   A 1 110 ? 0.12430   -15.87361 -28.64370 1.000 27.80355 ? 687  ILE   A CD1  1 
ATOM   584  N N    . SER   A 1 111 ? 4.14859   -17.78555 -24.51911 1.000 24.30463 ? 688  SER   A N    1 
ATOM   585  C CA   . SER   A 1 111 ? 4.61104   -17.94620 -23.14724 1.000 23.03484 ? 688  SER   A CA   1 
ATOM   586  C C    . SER   A 1 111 ? 5.73284   -16.96092 -22.85697 1.000 23.68698 ? 688  SER   A C    1 
ATOM   587  O O    . SER   A 1 111 ? 6.83974   -17.09377 -23.40136 1.000 25.52977 ? 688  SER   A O    1 
ATOM   588  C CB   . SER   A 1 111 ? 5.07964   -19.38164 -22.90783 1.000 26.11263 ? 688  SER   A CB   1 
ATOM   589  O OG   . SER   A 1 111 ? 5.62377   -19.53969 -21.59941 1.000 26.42344 ? 688  SER   A OG   1 
ATOM   590  N N    . PRO   A 1 112 ? 5.48806   -15.94080 -22.01855 1.000 24.87170 ? 689  PRO   A N    1 
ATOM   591  C CA   . PRO   A 1 112 ? 4.21351   -15.70232 -21.33596 1.000 25.87368 ? 689  PRO   A CA   1 
ATOM   592  C C    . PRO   A 1 112 ? 3.22740   -14.97400 -22.23803 1.000 26.07323 ? 689  PRO   A C    1 
ATOM   593  O O    . PRO   A 1 112 ? 3.64334   -14.33027 -23.20750 1.000 24.13332 ? 689  PRO   A O    1 
ATOM   594  C CB   . PRO   A 1 112 ? 4.61433   -14.80854 -20.16176 1.000 26.42281 ? 689  PRO   A CB   1 
ATOM   595  C CG   . PRO   A 1 112 ? 5.73396   -13.95909 -20.74771 1.000 28.31685 ? 689  PRO   A CG   1 
ATOM   596  C CD   . PRO   A 1 112 ? 6.46823   -14.88112 -21.72453 1.000 26.09565 ? 689  PRO   A CD   1 
ATOM   597  N N    . CYS   A 1 113 ? 1.95111   -15.06174 -21.91246 1.000 23.68899 ? 690  CYS   A N    1 
ATOM   598  C CA   . CYS   A 1 113 ? 0.89259   -14.36374 -22.61739 1.000 24.79833 ? 690  CYS   A CA   1 
ATOM   599  C C    . CYS   A 1 113 ? 0.43961   -13.15866 -21.81222 1.000 27.32334 ? 690  CYS   A C    1 
ATOM   600  O O    . CYS   A 1 113 ? 0.76683   -13.01527 -20.63046 1.000 27.01313 ? 690  CYS   A O    1 
ATOM   601  C CB   . CYS   A 1 113 ? -0.27469  -15.31211 -22.87179 1.000 22.39362 ? 690  CYS   A CB   1 
ATOM   602  S SG   . CYS   A 1 113 ? -1.17038  -15.78082 -21.35646 1.000 25.66144 ? 690  CYS   A SG   1 
ATOM   603  N N    . PRO   A 1 114 ? -0.30942  -12.25456 -22.42325 1.000 28.67267 ? 691  PRO   A N    1 
ATOM   604  C CA   . PRO   A 1 114 ? -0.86675  -11.14147 -21.65287 1.000 29.45293 ? 691  PRO   A CA   1 
ATOM   605  C C    . PRO   A 1 114 ? -1.94785  -11.64212 -20.71286 1.000 28.26275 ? 691  PRO   A C    1 
ATOM   606  O O    . PRO   A 1 114 ? -2.67705  -12.58893 -21.01261 1.000 26.01108 ? 691  PRO   A O    1 
ATOM   607  C CB   . PRO   A 1 114 ? -1.43978  -10.21533 -22.73038 1.000 29.14158 ? 691  PRO   A CB   1 
ATOM   608  C CG   . PRO   A 1 114 ? -0.66960  -10.58829 -23.99400 1.000 29.70194 ? 691  PRO   A CG   1 
ATOM   609  C CD   . PRO   A 1 114 ? -0.49989  -12.07680 -23.87396 1.000 27.58839 ? 691  PRO   A CD   1 
ATOM   610  N N    . TRP   A 1 115 ? -2.04289  -10.99626 -19.55458 1.000 30.18587 ? 692  TRP   A N    1 
ATOM   611  C CA   . TRP   A 1 115 ? -3.10995  -11.34386 -18.62320 1.000 32.34583 ? 692  TRP   A CA   1 
ATOM   612  C C    . TRP   A 1 115 ? -4.48577  -11.06764 -19.22490 1.000 32.79869 ? 692  TRP   A C    1 
ATOM   613  O O    . TRP   A 1 115 ? -5.42569  -11.85063 -19.03628 1.000 32.47780 ? 692  TRP   A O    1 
ATOM   614  C CB   . TRP   A 1 115 ? -2.94794  -10.56971 -17.31959 1.000 34.02961 ? 692  TRP   A CB   1 
ATOM   615  C CG   . TRP   A 1 115 ? -3.82112  -11.10685 -16.23714 1.000 33.64877 ? 692  TRP   A CG   1 
ATOM   616  C CD1  . TRP   A 1 115 ? -4.97230  -10.55046 -15.75744 1.000 36.46056 ? 692  TRP   A CD1  1 
ATOM   617  C CD2  . TRP   A 1 115 ? -3.63085  -12.32641 -15.51705 1.000 34.62040 ? 692  TRP   A CD2  1 
ATOM   618  N NE1  . TRP   A 1 115 ? -5.50339  -11.34549 -14.77084 1.000 37.07957 ? 692  TRP   A NE1  1 
ATOM   619  C CE2  . TRP   A 1 115 ? -4.69378  -12.43859 -14.60043 1.000 37.61307 ? 692  TRP   A CE2  1 
ATOM   620  C CE3  . TRP   A 1 115 ? -2.65144  -13.32875 -15.54394 1.000 30.38213 ? 692  TRP   A CE3  1 
ATOM   621  C CZ2  . TRP   A 1 115 ? -4.81453  -13.51601 -13.72884 1.000 37.04669 ? 692  TRP   A CZ2  1 
ATOM   622  C CZ3  . TRP   A 1 115 ? -2.77178  -14.39401 -14.67655 1.000 32.66956 ? 692  TRP   A CZ3  1 
ATOM   623  C CH2  . TRP   A 1 115 ? -3.84108  -14.47370 -13.77123 1.000 34.57188 ? 692  TRP   A CH2  1 
ATOM   624  N N    . VAL   A 1 116 ? -4.62331  -9.96298  -19.94970 1.000 31.28380 ? 693  VAL   A N    1 
ATOM   625  C CA   . VAL   A 1 116 ? -5.90151  -9.52358  -20.50084 1.000 31.93815 ? 693  VAL   A CA   1 
ATOM   626  C C    . VAL   A 1 116 ? -5.79720  -9.49408  -22.02061 1.000 32.39444 ? 693  VAL   A C    1 
ATOM   627  O O    . VAL   A 1 116 ? -4.91934  -8.81969  -22.57526 1.000 31.46848 ? 693  VAL   A O    1 
ATOM   628  C CB   . VAL   A 1 116 ? -6.29703  -8.13978  -19.96623 1.000 37.38132 ? 693  VAL   A CB   1 
ATOM   629  C CG1  . VAL   A 1 116 ? -7.64011  -7.70406  -20.55463 1.000 38.28122 ? 693  VAL   A CG1  1 
ATOM   630  C CG2  . VAL   A 1 116 ? -6.31577  -8.14480  -18.43957 1.000 38.30325 ? 693  VAL   A CG2  1 
ATOM   631  N N    . VAL   A 1 117 ? -6.71232  -10.19780 -22.68986 1.000 31.30491 ? 694  VAL   A N    1 
ATOM   632  C CA   . VAL   A 1 117 ? -6.78463  -10.16222 -24.14553 1.000 29.62779 ? 694  VAL   A CA   1 
ATOM   633  C C    . VAL   A 1 117 ? -7.22472  -8.77713  -24.60827 1.000 31.82410 ? 694  VAL   A C    1 
ATOM   634  O O    . VAL   A 1 117 ? -8.13745  -8.16728  -24.03240 1.000 30.56706 ? 694  VAL   A O    1 
ATOM   635  C CB   . VAL   A 1 117 ? -7.75314  -11.24365 -24.65549 1.000 28.42966 ? 694  VAL   A CB   1 
ATOM   636  C CG1  . VAL   A 1 117 ? -7.97361  -11.09122 -26.15555 1.000 31.28187 ? 694  VAL   A CG1  1 
ATOM   637  C CG2  . VAL   A 1 117 ? -7.22998  -12.63707 -24.31585 1.000 29.25978 ? 694  VAL   A CG2  1 
ATOM   638  N N    . THR   A 1 118 ? -6.59316  -8.27592  -25.66611 1.000 30.44570 ? 695  THR   A N    1 
ATOM   639  C CA   . THR   A 1 118 ? -6.99006  -7.02334  -26.28894 1.000 34.00049 ? 695  THR   A CA   1 
ATOM   640  C C    . THR   A 1 118 ? -7.34655  -7.23891  -27.75253 1.000 34.19995 ? 695  THR   A C    1 
ATOM   641  O O    . THR   A 1 118 ? -6.90447  -8.20928  -28.37522 1.000 31.87406 ? 695  THR   A O    1 
ATOM   642  C CB   . THR   A 1 118 ? -5.88143  -5.96301  -26.22379 1.000 38.48645 ? 695  THR   A CB   1 
ATOM   643  O OG1  . THR   A 1 118 ? -4.78835  -6.37430  -27.05879 1.000 34.34796 ? 695  THR   A OG1  1 
ATOM   644  C CG2  . THR   A 1 118 ? -5.40718  -5.73613  -24.78415 1.000 36.48566 ? 695  THR   A CG2  1 
ATOM   645  N N    . PRO   A 1 119 ? -8.13032  -6.33300  -28.33958 1.000 33.88814 ? 696  PRO   A N    1 
ATOM   646  C CA   . PRO   A 1 119 ? -8.36550  -6.41079  -29.78952 1.000 36.15314 ? 696  PRO   A CA   1 
ATOM   647  C C    . PRO   A 1 119 ? -7.08327  -6.38422  -30.60085 1.000 34.49680 ? 696  PRO   A C    1 
ATOM   648  O O    . PRO   A 1 119 ? -6.96530  -7.12350  -31.58771 1.000 35.42744 ? 696  PRO   A O    1 
ATOM   649  C CB   . PRO   A 1 119 ? -9.24252  -5.17959  -30.06513 1.000 37.47465 ? 696  PRO   A CB   1 
ATOM   650  C CG   . PRO   A 1 119 ? -9.89436  -4.87143  -28.76326 1.000 39.81907 ? 696  PRO   A CG   1 
ATOM   651  C CD   . PRO   A 1 119 ? -8.90883  -5.25668  -27.69908 1.000 36.27247 ? 696  PRO   A CD   1 
ATOM   652  N N    . GLU   A 1 120 ? -6.11593  -5.54811  -30.21110 1.000 34.34219 ? 697  GLU   A N    1 
ATOM   653  C CA   . GLU   A 1 120 ? -4.84595  -5.50024  -30.93086 1.000 36.43697 ? 697  GLU   A CA   1 
ATOM   654  C C    . GLU   A 1 120 ? -4.14755  -6.85079  -30.90044 1.000 36.00254 ? 697  GLU   A C    1 
ATOM   655  O O    . GLU   A 1 120 ? -3.53144  -7.26078  -31.88881 1.000 36.47730 ? 697  GLU   A O    1 
ATOM   656  C CB   . GLU   A 1 120 ? -3.93122  -4.42989  -30.33928 1.000 39.21403 ? 697  GLU   A CB   1 
ATOM   657  C CG   . GLU   A 1 120 ? -4.44518  -3.00712  -30.47584 1.000 44.16750 ? 697  GLU   A CG   1 
ATOM   658  C CD   . GLU   A 1 120 ? -5.24773  -2.56097  -29.26834 1.000 49.28126 ? 697  GLU   A CD   1 
ATOM   659  O OE1  . GLU   A 1 120 ? -5.95580  -3.39846  -28.67081 1.000 43.23964 ? 697  GLU   A OE1  1 
ATOM   660  O OE2  . GLU   A 1 120 ? -5.16455  -1.36278  -28.91428 1.000 58.35741 ? 697  GLU   A OE2  1 
ATOM   661  N N    . PHE   A 1 121 ? -4.21835  -7.54731  -29.76270 1.000 32.48646 ? 698  PHE   A N    1 
ATOM   662  C CA   . PHE   A 1 121 ? -3.60608  -8.86789  -29.64679 1.000 32.75385 ? 698  PHE   A CA   1 
ATOM   663  C C    . PHE   A 1 121 ? -4.22374  -9.84561  -30.63778 1.000 33.36573 ? 698  PHE   A C    1 
ATOM   664  O O    . PHE   A 1 121 ? -3.51206  -10.54787 -31.36240 1.000 32.87131 ? 698  PHE   A O    1 
ATOM   665  C CB   . PHE   A 1 121 ? -3.75819  -9.36757  -28.21290 1.000 32.59847 ? 698  PHE   A CB   1 
ATOM   666  C CG   . PHE   A 1 121 ? -3.23801  -10.75441 -27.98864 1.000 32.31641 ? 698  PHE   A CG   1 
ATOM   667  C CD1  . PHE   A 1 121 ? -4.06819  -11.86106 -28.14757 1.000 28.55183 ? 698  PHE   A CD1  1 
ATOM   668  C CD2  . PHE   A 1 121 ? -1.92457  -10.95372 -27.59589 1.000 30.51207 ? 698  PHE   A CD2  1 
ATOM   669  C CE1  . PHE   A 1 121 ? -3.58419  -13.13638 -27.93324 1.000 28.30675 ? 698  PHE   A CE1  1 
ATOM   670  C CE2  . PHE   A 1 121 ? -1.43438  -12.23202 -27.37151 1.000 30.20805 ? 698  PHE   A CE2  1 
ATOM   671  C CZ   . PHE   A 1 121 ? -2.26247  -13.32352 -27.54005 1.000 27.22153 ? 698  PHE   A CZ   1 
ATOM   672  N N    . LEU   A 1 122 ? -5.55500  -9.89372  -30.69757 1.000 29.71857 ? 699  LEU   A N    1 
ATOM   673  C CA   . LEU   A 1 122 ? -6.21341  -10.75124 -31.67841 1.000 33.14436 ? 699  LEU   A CA   1 
ATOM   674  C C    . LEU   A 1 122 ? -5.77480  -10.40830 -33.09599 1.000 34.50564 ? 699  LEU   A C    1 
ATOM   675  O O    . LEU   A 1 122 ? -5.56968  -11.30180 -33.92497 1.000 33.31766 ? 699  LEU   A O    1 
ATOM   676  C CB   . LEU   A 1 122 ? -7.73041  -10.63026 -31.54749 1.000 34.19109 ? 699  LEU   A CB   1 
ATOM   677  C CG   . LEU   A 1 122 ? -8.26253  -10.97918 -30.16398 1.000 33.37999 ? 699  LEU   A CG   1 
ATOM   678  C CD1  . LEU   A 1 122 ? -9.77816  -10.80652 -30.11973 1.000 36.35316 ? 699  LEU   A CD1  1 
ATOM   679  C CD2  . LEU   A 1 122 ? -7.85278  -12.39796 -29.78925 1.000 27.00580 ? 699  LEU   A CD2  1 
ATOM   680  N N    . GLU   A 1 123 ? -5.65125  -9.11801  -33.40367 1.000 33.94244 ? 700  GLU   A N    1 
ATOM   681  C CA   . GLU   A 1 123 ? -5.18888  -8.73751  -34.72876 1.000 37.55127 ? 700  GLU   A CA   1 
ATOM   682  C C    . GLU   A 1 123 ? -3.76264  -9.21889  -34.96240 1.000 36.83889 ? 700  GLU   A C    1 
ATOM   683  O O    . GLU   A 1 123 ? -3.44769  -9.76849  -36.02294 1.000 39.58768 ? 700  GLU   A O    1 
ATOM   684  C CB   . GLU   A 1 123 ? -5.28661  -7.22133  -34.90048 1.000 36.56122 ? 700  GLU   A CB   1 
ATOM   685  C CG   . GLU   A 1 123 ? -5.04492  -6.76988  -36.31171 1.000 45.88639 ? 700  GLU   A CG   1 
ATOM   686  C CD   . GLU   A 1 123 ? -6.05654  -7.34622  -37.28155 1.000 52.69966 ? 700  GLU   A CD   1 
ATOM   687  O OE1  . GLU   A 1 123 ? -7.10105  -7.85532  -36.81349 1.000 54.37989 ? 700  GLU   A OE1  1 
ATOM   688  O OE2  . GLU   A 1 123 ? -5.80416  -7.29443  -38.50901 1.000 60.63293 ? 700  GLU   A OE2  1 
ATOM   689  N N    . LYS   A 1 124 ? -2.89035  -9.03681  -33.97235 1.000 34.39605 ? 701  LYS   A N    1 
ATOM   690  C CA   . LYS   A 1 124 ? -1.47309  -9.32238  -34.16916 1.000 36.57606 ? 701  LYS   A CA   1 
ATOM   691  C C    . LYS   A 1 124 ? -1.23651  -10.80108 -34.44488 1.000 36.34832 ? 701  LYS   A C    1 
ATOM   692  O O    . LYS   A 1 124 ? -0.34997  -11.16327 -35.23216 1.000 35.16621 ? 701  LYS   A O    1 
ATOM   693  C CB   . LYS   A 1 124 ? -0.68034  -8.88347  -32.94237 1.000 39.80537 ? 701  LYS   A CB   1 
ATOM   694  C CG   . LYS   A 1 124 ? 0.82237   -9.13299  -33.05143 1.000 40.30221 ? 701  LYS   A CG   1 
ATOM   695  C CD   . LYS   A 1 124 ? 1.48244   -8.99164  -31.69326 1.000 42.50330 ? 701  LYS   A CD   1 
ATOM   696  C CE   . LYS   A 1 124 ? 2.99135   -9.17566  -31.78658 1.000 49.10871 ? 701  LYS   A CE   1 
ATOM   697  N NZ   . LYS   A 1 124 ? 3.58307   -9.25686  -30.42502 1.000 54.59887 ? 701  LYS   A NZ   1 
ATOM   698  N N    . TYR   A 1 125 ? -2.01247  -11.67330 -33.80623 1.000 32.59358 ? 702  TYR   A N    1 
ATOM   699  C CA   . TYR   A 1 125 ? -1.84452  -13.11087 -33.97718 1.000 31.59435 ? 702  TYR   A CA   1 
ATOM   700  C C    . TYR   A 1 125 ? -2.92160  -13.72940 -34.86845 1.000 32.12847 ? 702  TYR   A C    1 
ATOM   701  O O    . TYR   A 1 125 ? -3.03450  -14.96019 -34.93016 1.000 33.77750 ? 702  TYR   A O    1 
ATOM   702  C CB   . TYR   A 1 125 ? -1.79089  -13.79326 -32.60259 1.000 30.28497 ? 702  TYR   A CB   1 
ATOM   703  C CG   . TYR   A 1 125 ? -0.56835  -13.37539 -31.79519 1.000 32.47941 ? 702  TYR   A CG   1 
ATOM   704  C CD1  . TYR   A 1 125 ? 0.64474   -14.03003 -31.94380 1.000 36.79090 ? 702  TYR   A CD1  1 
ATOM   705  C CD2  . TYR   A 1 125 ? -0.62779  -12.30604 -30.90380 1.000 34.03091 ? 702  TYR   A CD2  1 
ATOM   706  C CE1  . TYR   A 1 125 ? 1.76988   -13.64558 -31.21652 1.000 36.62872 ? 702  TYR   A CE1  1 
ATOM   707  C CE2  . TYR   A 1 125 ? 0.49000   -11.91184 -30.17775 1.000 35.18343 ? 702  TYR   A CE2  1 
ATOM   708  C CZ   . TYR   A 1 125 ? 1.68324   -12.58691 -30.33965 1.000 36.86942 ? 702  TYR   A CZ   1 
ATOM   709  O OH   . TYR   A 1 125 ? 2.79251   -12.19984 -29.62302 1.000 42.37228 ? 702  TYR   A OH   1 
ATOM   710  N N    . LYS   A 1 126 ? -3.70138  -12.90373 -35.57416 1.000 30.31978 ? 703  LYS   A N    1 
ATOM   711  C CA   . LYS   A 1 126 ? -4.70470  -13.38360 -36.53173 1.000 31.13212 ? 703  LYS   A CA   1 
ATOM   712  C C    . LYS   A 1 126 ? -5.64197  -14.40346 -35.88611 1.000 28.33649 ? 703  LYS   A C    1 
ATOM   713  O O    . LYS   A 1 126 ? -5.99326  -15.42380 -36.48177 1.000 30.19824 ? 703  LYS   A O    1 
ATOM   714  C CB   . LYS   A 1 126 ? -4.04386  -13.97572 -37.78418 1.000 33.67087 ? 703  LYS   A CB   1 
ATOM   715  C CG   . LYS   A 1 126 ? -2.91589  -13.14273 -38.37769 1.000 39.87589 ? 703  LYS   A CG   1 
ATOM   716  C CD   . LYS   A 1 126 ? -3.32344  -11.69828 -38.55912 1.000 45.85398 ? 703  LYS   A CD   1 
ATOM   717  C CE   . LYS   A 1 126 ? -2.16938  -10.85504 -39.10381 1.000 51.60022 ? 703  LYS   A CE   1 
ATOM   718  N NZ   . LYS   A 1 126 ? -2.17253  -9.47748  -38.51826 1.000 51.99504 ? 703  LYS   A NZ   1 
ATOM   719  N N    . ILE   A 1 127 ? -6.06907  -14.11036 -34.66505 1.000 28.26647 ? 704  ILE   A N    1 
ATOM   720  C CA   . ILE   A 1 127 ? -6.90176  -15.03043 -33.89494 1.000 28.23244 ? 704  ILE   A CA   1 
ATOM   721  C C    . ILE   A 1 127 ? -8.35877  -14.85515 -34.29206 1.000 28.37247 ? 704  ILE   A C    1 
ATOM   722  O O    . ILE   A 1 127 ? -8.88522  -13.73559 -34.30392 1.000 29.04411 ? 704  ILE   A O    1 
ATOM   723  C CB   . ILE   A 1 127 ? -6.71153  -14.80257 -32.39249 1.000 27.89621 ? 704  ILE   A CB   1 
ATOM   724  C CG1  . ILE   A 1 127 ? -5.30326  -15.22991 -31.97448 1.000 26.11153 ? 704  ILE   A CG1  1 
ATOM   725  C CG2  . ILE   A 1 127 ? -7.76612  -15.60370 -31.59201 1.000 23.86873 ? 704  ILE   A CG2  1 
ATOM   726  C CD1  . ILE   A 1 127 ? -4.90380  -14.72861 -30.61018 1.000 27.42741 ? 704  ILE   A CD1  1 
ATOM   727  N N    . ASP   A 1 128 ? -9.01997  -15.96478 -34.61560 1.000 26.08202 ? 705  ASP   A N    1 
ATOM   728  C CA   . ASP   A 1 128 ? -10.41203 -15.88091 -35.04518 1.000 26.01186 ? 705  ASP   A CA   1 
ATOM   729  C C    . ASP   A 1 128 ? -11.38519 -16.02279 -33.88587 1.000 25.95280 ? 705  ASP   A C    1 
ATOM   730  O O    . ASP   A 1 128 ? -12.41484 -15.33970 -33.86067 1.000 26.35255 ? 705  ASP   A O    1 
ATOM   731  C CB   . ASP   A 1 128 ? -10.70260 -16.95152 -36.09382 1.000 26.23637 ? 705  ASP   A CB   1 
ATOM   732  C CG   . ASP   A 1 128 ? -9.91333  -16.73543 -37.36053 1.000 31.52783 ? 705  ASP   A CG   1 
ATOM   733  O OD1  . ASP   A 1 128 ? -10.05110 -15.65896 -37.97533 1.000 31.34505 ? 705  ASP   A OD1  1 
ATOM   734  O OD2  . ASP   A 1 128 ? -9.13197  -17.62805 -37.72757 1.000 28.83738 ? 705  ASP   A OD2  1 
ATOM   735  N N    . TYR   A 1 129 ? -11.07956 -16.89848 -32.93064 1.000 22.64321 ? 706  TYR   A N    1 
ATOM   736  C CA   . TYR   A 1 129 ? -11.93775 -17.13200 -31.77232 1.000 23.82020 ? 706  TYR   A CA   1 
ATOM   737  C C    . TYR   A 1 129 ? -11.09615 -17.25171 -30.51080 1.000 25.19978 ? 706  TYR   A C    1 
ATOM   738  O O    . TYR   A 1 129 ? -9.95651  -17.73272 -30.54243 1.000 24.79454 ? 706  TYR   A O    1 
ATOM   739  C CB   . TYR   A 1 129 ? -12.78642 -18.41149 -31.92234 1.000 23.85291 ? 706  TYR   A CB   1 
ATOM   740  C CG   . TYR   A 1 129 ? -13.65965 -18.40506 -33.15049 1.000 24.23975 ? 706  TYR   A CG   1 
ATOM   741  C CD1  . TYR   A 1 129 ? -14.91686 -17.83036 -33.12626 1.000 23.62744 ? 706  TYR   A CD1  1 
ATOM   742  C CD2  . TYR   A 1 129 ? -13.21710 -18.97157 -34.33658 1.000 26.38090 ? 706  TYR   A CD2  1 
ATOM   743  C CE1  . TYR   A 1 129 ? -15.72473 -17.81535 -34.27686 1.000 26.07025 ? 706  TYR   A CE1  1 
ATOM   744  C CE2  . TYR   A 1 129 ? -14.01289 -18.95830 -35.48106 1.000 25.19132 ? 706  TYR   A CE2  1 
ATOM   745  C CZ   . TYR   A 1 129 ? -15.25478 -18.38394 -35.43857 1.000 26.33513 ? 706  TYR   A CZ   1 
ATOM   746  O OH   . TYR   A 1 129 ? -16.02495 -18.37562 -36.57534 1.000 27.19704 ? 706  TYR   A OH   1 
ATOM   747  N N    . VAL   A 1 130 ? -11.67372 -16.82366 -29.39003 1.000 22.59582 ? 707  VAL   A N    1 
ATOM   748  C CA   . VAL   A 1 130 ? -11.08491 -17.04200 -28.07292 1.000 21.94914 ? 707  VAL   A CA   1 
ATOM   749  C C    . VAL   A 1 130 ? -11.92756 -18.09573 -27.37833 1.000 25.91492 ? 707  VAL   A C    1 
ATOM   750  O O    . VAL   A 1 130 ? -13.14698 -17.93180 -27.24571 1.000 27.40878 ? 707  VAL   A O    1 
ATOM   751  C CB   . VAL   A 1 130 ? -11.02760 -15.75324 -27.24380 1.000 25.51015 ? 707  VAL   A CB   1 
ATOM   752  C CG1  . VAL   A 1 130 ? -10.52645 -16.05764 -25.83314 1.000 25.46855 ? 707  VAL   A CG1  1 
ATOM   753  C CG2  . VAL   A 1 130 ? -10.13509 -14.72810 -27.92062 1.000 23.92379 ? 707  VAL   A CG2  1 
ATOM   754  N N    . ALA   A 1 131 ? -11.28617 -19.18125 -26.94970 1.000 25.72423 ? 708  ALA   A N    1 
ATOM   755  C CA   . ALA   A 1 131 ? -11.95820 -20.25857 -26.23145 1.000 27.08553 ? 708  ALA   A CA   1 
ATOM   756  C C    . ALA   A 1 131 ? -11.88374 -19.99901 -24.73251 1.000 32.62602 ? 708  ALA   A C    1 
ATOM   757  O O    . ALA   A 1 131 ? -10.78874 -19.93049 -24.16694 1.000 32.93197 ? 708  ALA   A O    1 
ATOM   758  C CB   . ALA   A 1 131 ? -11.32666 -21.61244 -26.56656 1.000 27.80145 ? 708  ALA   A CB   1 
ATOM   759  N N    . HIS   A 1 132 ? -13.03996 -19.87981 -24.08356 1.000 34.43556 ? 709  HIS   A N    1 
ATOM   760  C CA   . HIS   A 1 132 ? -13.09099 -19.55210 -22.66395 1.000 41.60931 ? 709  HIS   A CA   1 
ATOM   761  C C    . HIS   A 1 132 ? -14.00030 -20.52679 -21.92401 1.000 51.50493 ? 709  HIS   A C    1 
ATOM   762  O O    . HIS   A 1 132 ? -14.87784 -21.16323 -22.51187 1.000 49.52929 ? 709  HIS   A O    1 
ATOM   763  C CB   . HIS   A 1 132 ? -13.57104 -18.10985 -22.44463 1.000 45.24019 ? 709  HIS   A CB   1 
ATOM   764  N N    . ASP   A 1 133 ? -13.78341 -20.63220 -20.61353 1.000 61.97859 ? 710  ASP   A N    1 
ATOM   765  C CA   . ASP   A 1 133 ? -14.60891 -21.48757 -19.75038 1.000 63.94998 ? 710  ASP   A CA   1 
ATOM   766  C C    . ASP   A 1 133 ? -16.05262 -21.00212 -19.69270 1.000 62.91919 ? 710  ASP   A C    1 
ATOM   767  O O    . ASP   A 1 133 ? -16.30447 -19.80395 -19.56569 1.000 64.12341 ? 710  ASP   A O    1 
ATOM   768  C CB   . ASP   A 1 133 ? -14.03932 -21.53776 -18.33461 1.000 62.00823 ? 710  ASP   A CB   1 
ATOM   769  C CG   . ASP   A 1 133 ? -12.53752 -21.72521 -18.31629 1.000 64.93014 ? 710  ASP   A CG   1 
ATOM   770  O OD1  . ASP   A 1 133 ? -11.83350 -20.93409 -18.98806 1.000 64.24636 ? 710  ASP   A OD1  1 
ATOM   771  O OD2  . ASP   A 1 133 ? -12.06034 -22.65044 -17.61866 1.000 62.40987 ? 710  ASP   A OD2  1 
ATOM   772  N N    . ASP   A 1 144 ? -19.81087 -8.54404  -18.36062 1.000 75.14819 ? 739  ASP   A N    1 
ATOM   773  C CA   . ASP   A 1 144 ? -18.55615 -9.28388  -18.44596 1.000 69.92268 ? 739  ASP   A CA   1 
ATOM   774  C C    . ASP   A 1 144 ? -17.46379 -8.46022  -19.09605 1.000 70.40209 ? 739  ASP   A C    1 
ATOM   775  O O    . ASP   A 1 144 ? -17.70180 -7.75111  -20.07584 1.000 72.43784 ? 739  ASP   A O    1 
ATOM   776  C CB   . ASP   A 1 144 ? -18.74128 -10.59462 -19.23118 1.000 67.80328 ? 739  ASP   A CB   1 
ATOM   777  C CG   . ASP   A 1 144 ? -20.04142 -10.63217 -20.01664 1.000 66.55462 ? 739  ASP   A CG   1 
ATOM   778  O OD1  . ASP   A 1 144 ? -20.98832 -9.91771  -19.61611 1.000 73.15149 ? 739  ASP   A OD1  1 
ATOM   779  O OD2  . ASP   A 1 144 ? -20.12251 -11.38246 -21.01735 1.000 60.02217 ? 739  ASP   A OD2  1 
ATOM   780  N N    . ILE   A 1 145 ? -16.24930 -8.56029  -18.55658 1.000 66.77362 ? 740  ILE   A N    1 
ATOM   781  C CA   . ILE   A 1 145 ? -15.08840 -8.07473  -19.27702 1.000 62.11989 ? 740  ILE   A CA   1 
ATOM   782  C C    . ILE   A 1 145 ? -14.93426 -8.77100  -20.62075 1.000 58.78819 ? 740  ILE   A C    1 
ATOM   783  O O    . ILE   A 1 145 ? -14.06848 -8.39207  -21.41174 1.000 59.89029 ? 740  ILE   A O    1 
ATOM   784  C CB   . ILE   A 1 145 ? -13.81948 -8.25711  -18.41654 1.000 66.39257 ? 740  ILE   A CB   1 
ATOM   785  N N    . TYR   A 1 146 ? -15.75292 -9.79194  -20.88970 1.000 57.62249 ? 741  TYR   A N    1 
ATOM   786  C CA   . TYR   A 1 146 ? -15.70505 -10.57428 -22.11987 1.000 50.78290 ? 741  TYR   A CA   1 
ATOM   787  C C    . TYR   A 1 146 ? -16.83584 -10.22196 -23.08202 1.000 41.33028 ? 741  TYR   A C    1 
ATOM   788  O O    . TYR   A 1 146 ? -16.98495 -10.87166 -24.12468 1.000 35.34646 ? 741  TYR   A O    1 
ATOM   789  C CB   . TYR   A 1 146 ? -15.73937 -12.06623 -21.78075 1.000 51.60869 ? 741  TYR   A CB   1 
ATOM   790  C CG   . TYR   A 1 146 ? -14.60232 -12.49173 -20.87636 1.000 53.27527 ? 741  TYR   A CG   1 
ATOM   791  C CD1  . TYR   A 1 146 ? -13.37559 -12.86419 -21.41113 1.000 53.12251 ? 741  TYR   A CD1  1 
ATOM   792  C CD2  . TYR   A 1 146 ? -14.74744 -12.50158 -19.49337 1.000 58.21507 ? 741  TYR   A CD2  1 
ATOM   793  C CE1  . TYR   A 1 146 ? -12.32725 -13.24949 -20.60197 1.000 55.72750 ? 741  TYR   A CE1  1 
ATOM   794  C CE2  . TYR   A 1 146 ? -13.69898 -12.88560 -18.66823 1.000 58.73272 ? 741  TYR   A CE2  1 
ATOM   795  C CZ   . TYR   A 1 146 ? -12.48944 -13.25716 -19.23433 1.000 58.22759 ? 741  TYR   A CZ   1 
ATOM   796  O OH   . TYR   A 1 146 ? -11.43951 -13.64051 -18.42986 1.000 66.11434 ? 741  TYR   A OH   1 
ATOM   797  N N    . ALA   A 1 147 ? -17.61807 -9.19370  -22.76644 1.000 40.79882 ? 742  ALA   A N    1 
ATOM   798  C CA   . ALA   A 1 147 ? -18.72117 -8.79869  -23.63137 1.000 38.96662 ? 742  ALA   A CA   1 
ATOM   799  C C    . ALA   A 1 147 ? -18.22983 -8.41402  -25.01795 1.000 34.12328 ? 742  ALA   A C    1 
ATOM   800  O O    . ALA   A 1 147 ? -18.91420 -8.67079  -26.01404 1.000 30.45929 ? 742  ALA   A O    1 
ATOM   801  C CB   . ALA   A 1 147 ? -19.49065 -7.64123  -22.99622 1.000 45.95396 ? 742  ALA   A CB   1 
ATOM   802  N N    . TRP   A 1 148 ? -17.04550 -7.79589  -25.11214 1.000 29.56410 ? 743  TRP   A N    1 
ATOM   803  C CA   . TRP   A 1 148 ? -16.59044 -7.34322  -26.42599 1.000 30.53836 ? 743  TRP   A CA   1 
ATOM   804  C C    . TRP   A 1 148 ? -16.31024 -8.52073  -27.34441 1.000 29.51452 ? 743  TRP   A C    1 
ATOM   805  O O    . TRP   A 1 148 ? -16.56763 -8.44560  -28.55253 1.000 26.85897 ? 743  TRP   A O    1 
ATOM   806  C CB   . TRP   A 1 148 ? -15.36011 -6.43871  -26.30364 1.000 30.62764 ? 743  TRP   A CB   1 
ATOM   807  C CG   . TRP   A 1 148 ? -14.09344 -7.11328  -25.88155 1.000 34.52583 ? 743  TRP   A CG   1 
ATOM   808  C CD1  . TRP   A 1 148 ? -13.67971 -7.37629  -24.59844 1.000 37.40658 ? 743  TRP   A CD1  1 
ATOM   809  C CD2  . TRP   A 1 148 ? -13.05249 -7.57652  -26.74086 1.000 35.76009 ? 743  TRP   A CD2  1 
ATOM   810  N NE1  . TRP   A 1 148 ? -12.44585 -7.98478  -24.61238 1.000 39.26327 ? 743  TRP   A NE1  1 
ATOM   811  C CE2  . TRP   A 1 148 ? -12.03547 -8.11459  -25.91483 1.000 35.38516 ? 743  TRP   A CE2  1 
ATOM   812  C CE3  . TRP   A 1 148 ? -12.87916 -7.59296  -28.13444 1.000 35.53742 ? 743  TRP   A CE3  1 
ATOM   813  C CZ2  . TRP   A 1 148 ? -10.86332 -8.66364  -26.43616 1.000 36.72495 ? 743  TRP   A CZ2  1 
ATOM   814  C CZ3  . TRP   A 1 148 ? -11.71614 -8.13554  -28.65281 1.000 36.44119 ? 743  TRP   A CZ3  1 
ATOM   815  C CH2  . TRP   A 1 148 ? -10.72028 -8.66681  -27.80340 1.000 36.48131 ? 743  TRP   A CH2  1 
ATOM   816  N N    . LEU   A 1 149 ? -15.78563 -9.61995  -26.79633 1.000 26.04011 ? 744  LEU   A N    1 
ATOM   817  C CA   . LEU   A 1 149 ? -15.58235 -10.81186 -27.61085 1.000 25.60647 ? 744  LEU   A CA   1 
ATOM   818  C C    . LEU   A 1 149 ? -16.90665 -11.38139 -28.09879 1.000 24.29212 ? 744  LEU   A C    1 
ATOM   819  O O    . LEU   A 1 149 ? -17.01881 -11.80853 -29.25357 1.000 25.93973 ? 744  LEU   A O    1 
ATOM   820  C CB   . LEU   A 1 149 ? -14.80302 -11.86506 -26.81760 1.000 25.13633 ? 744  LEU   A CB   1 
ATOM   821  C CG   . LEU   A 1 149 ? -13.31831 -11.56587 -26.55130 1.000 32.34111 ? 744  LEU   A CG   1 
ATOM   822  C CD1  . LEU   A 1 149 ? -12.75212 -12.52995 -25.49752 1.000 31.50771 ? 744  LEU   A CD1  1 
ATOM   823  C CD2  . LEU   A 1 149 ? -12.49239 -11.63098 -27.83423 1.000 31.56842 ? 744  LEU   A CD2  1 
ATOM   824  N N    . LYS   A 1 150 ? -17.91650 -11.40996 -27.23407 1.000 25.67156 ? 745  LYS   A N    1 
ATOM   825  C CA   . LYS   A 1 150 ? -19.21093 -11.93682 -27.64496 1.000 25.22608 ? 745  LYS   A CA   1 
ATOM   826  C C    . LYS   A 1 150 ? -19.85028 -11.06553 -28.71773 1.000 24.68067 ? 745  LYS   A C    1 
ATOM   827  O O    . LYS   A 1 150 ? -20.37774 -11.59671 -29.70188 1.000 24.87225 ? 745  LYS   A O    1 
ATOM   828  C CB   . LYS   A 1 150 ? -20.12389 -12.07540 -26.43282 1.000 27.26273 ? 745  LYS   A CB   1 
ATOM   829  C CG   . LYS   A 1 150 ? -19.60952 -13.12779 -25.45287 1.000 27.77236 ? 745  LYS   A CG   1 
ATOM   830  C CD   . LYS   A 1 150 ? -20.38402 -13.07715 -24.14430 1.000 31.24551 ? 745  LYS   A CD   1 
ATOM   831  C CE   . LYS   A 1 150 ? -19.82391 -14.09713 -23.13569 1.000 36.76557 ? 745  LYS   A CE   1 
ATOM   832  N NZ   . LYS   A 1 150 ? -20.44454 -13.92184 -21.79042 1.000 42.13414 ? 745  LYS   A NZ   1 
ATOM   833  N N    . ARG   A 1 151 ? -19.76719 -9.73133  -28.57785 1.000 26.08869 ? 746  ARG   A N    1 
ATOM   834  C CA   . ARG   A 1 151 ? -20.34058 -8.84000  -29.58672 1.000 27.25366 ? 746  ARG   A CA   1 
ATOM   835  C C    . ARG   A 1 151 ? -19.66390 -9.00570  -30.93959 1.000 26.64627 ? 746  ARG   A C    1 
ATOM   836  O O    . ARG   A 1 151 ? -20.28139 -8.72031  -31.97368 1.000 28.78288 ? 746  ARG   A O    1 
ATOM   837  C CB   . ARG   A 1 151 ? -20.21985 -7.36925  -29.19214 1.000 29.36410 ? 746  ARG   A CB   1 
ATOM   838  C CG   . ARG   A 1 151 ? -20.75333 -6.95239  -27.86738 1.000 36.66177 ? 746  ARG   A CG   1 
ATOM   839  C CD   . ARG   A 1 151 ? -20.54912 -5.43626  -27.74707 1.000 35.53012 ? 746  ARG   A CD   1 
ATOM   840  N NE   . ARG   A 1 151 ? -20.28358 -4.98706  -26.38605 1.000 42.52167 ? 746  ARG   A NE   1 
ATOM   841  C CZ   . ARG   A 1 151 ? -21.12353 -5.16747  -25.37736 1.000 49.18237 ? 746  ARG   A CZ   1 
ATOM   842  N NH1  . ARG   A 1 151 ? -22.22432 -5.89492  -25.51916 1.000 47.03682 ? 746  ARG   A NH1  1 
ATOM   843  N NH2  . ARG   A 1 151 ? -20.86002 -4.60029  -24.20130 1.000 47.71685 ? 746  ARG   A NH2  1 
ATOM   844  N N    . ALA   A 1 152 ? -18.39634 -9.41002  -30.95341 1.000 25.79341 ? 747  ALA   A N    1 
ATOM   845  C CA   . ALA   A 1 152 ? -17.64963 -9.58771  -32.19309 1.000 25.83319 ? 747  ALA   A CA   1 
ATOM   846  C C    . ALA   A 1 152 ? -17.81400 -10.97787 -32.78116 1.000 24.63308 ? 747  ALA   A C    1 
ATOM   847  O O    . ALA   A 1 152 ? -17.29331 -11.24157 -33.87020 1.000 27.07248 ? 747  ALA   A O    1 
ATOM   848  C CB   . ALA   A 1 152 ? -16.15433 -9.30419  -31.96511 1.000 26.24384 ? 747  ALA   A CB   1 
ATOM   849  N N    . GLY   A 1 153 ? -18.51851 -11.86942 -32.08925 1.000 23.63685 ? 748  GLY   A N    1 
ATOM   850  C CA   . GLY   A 1 153 ? -18.65956 -13.23103 -32.55621 1.000 22.90177 ? 748  GLY   A CA   1 
ATOM   851  C C    . GLY   A 1 153 ? -17.41634 -14.06522 -32.38290 1.000 25.00157 ? 748  GLY   A C    1 
ATOM   852  O O    . GLY   A 1 153 ? -17.29445 -15.11930 -33.00564 1.000 25.67198 ? 748  GLY   A O    1 
ATOM   853  N N    . LYS   A 1 154 ? -16.48655 -13.62031 -31.54705 1.000 23.59769 ? 749  LYS   A N    1 
ATOM   854  C CA   . LYS   A 1 154 ? -15.21459 -14.29531 -31.34716 1.000 23.19508 ? 749  LYS   A CA   1 
ATOM   855  C C    . LYS   A 1 154 ? -15.16825 -15.12988 -30.06899 1.000 27.00696 ? 749  LYS   A C    1 
ATOM   856  O O    . LYS   A 1 154 ? -14.14678 -15.76824 -29.79962 1.000 29.38603 ? 749  LYS   A O    1 
ATOM   857  C CB   . LYS   A 1 154 ? -14.08315 -13.26354 -31.33892 1.000 26.08266 ? 749  LYS   A CB   1 
ATOM   858  C CG   . LYS   A 1 154 ? -13.93613 -12.52006 -32.65988 1.000 29.95462 ? 749  LYS   A CG   1 
ATOM   859  C CD   . LYS   A 1 154 ? -12.69962 -11.62486 -32.64905 1.000 34.43937 ? 749  LYS   A CD   1 
ATOM   860  C CE   . LYS   A 1 154 ? -11.99149 -11.62958 -33.99031 1.000 39.49327 ? 749  LYS   A CE   1 
ATOM   861  N NZ   . LYS   A 1 154 ? -12.84824 -11.10786 -35.09389 1.000 44.99575 ? 749  LYS   A NZ   1 
ATOM   862  N N    . PHE   A 1 155 ? -16.24950 -15.17517 -29.30069 1.000 28.23829 ? 750  PHE   A N    1 
ATOM   863  C CA   . PHE   A 1 155 ? -16.26635 -15.89053 -28.03021 1.000 27.87535 ? 750  PHE   A CA   1 
ATOM   864  C C    . PHE   A 1 155 ? -16.77220 -17.31125 -28.25000 1.000 30.78996 ? 750  PHE   A C    1 
ATOM   865  O O    . PHE   A 1 155 ? -17.86756 -17.49958 -28.78236 1.000 30.29544 ? 750  PHE   A O    1 
ATOM   866  C CB   . PHE   A 1 155 ? -17.16015 -15.15153 -27.03485 1.000 27.59024 ? 750  PHE   A CB   1 
ATOM   867  C CG   . PHE   A 1 155 ? -17.16693 -15.74294 -25.65322 1.000 31.91989 ? 750  PHE   A CG   1 
ATOM   868  C CD1  . PHE   A 1 155 ? -17.91690 -16.87563 -25.36586 1.000 33.32587 ? 750  PHE   A CD1  1 
ATOM   869  C CD2  . PHE   A 1 155 ? -16.45485 -15.14125 -24.63104 1.000 31.59936 ? 750  PHE   A CD2  1 
ATOM   870  C CE1  . PHE   A 1 155 ? -17.92921 -17.41447 -24.08929 1.000 34.82167 ? 750  PHE   A CE1  1 
ATOM   871  C CE2  . PHE   A 1 155 ? -16.46330 -15.67144 -23.35240 1.000 36.21852 ? 750  PHE   A CE2  1 
ATOM   872  C CZ   . PHE   A 1 155 ? -17.20443 -16.81194 -23.08201 1.000 34.37468 ? 750  PHE   A CZ   1 
ATOM   873  N N    . LYS   A 1 156 ? -15.98932 -18.30665 -27.82949 1.000 26.95236 ? 751  LYS   A N    1 
ATOM   874  C CA   . LYS   A 1 156 ? -16.41696 -19.70162 -27.85034 1.000 29.91203 ? 751  LYS   A CA   1 
ATOM   875  C C    . LYS   A 1 156 ? -16.28165 -20.27123 -26.44852 1.000 31.80111 ? 751  LYS   A C    1 
ATOM   876  O O    . LYS   A 1 156 ? -15.19460 -20.24138 -25.86776 1.000 32.74744 ? 751  LYS   A O    1 
ATOM   877  C CB   . LYS   A 1 156 ? -15.59225 -20.52941 -28.83562 1.000 27.01525 ? 751  LYS   A CB   1 
ATOM   878  C CG   . LYS   A 1 156 ? -15.67900 -20.05027 -30.26139 1.000 26.94556 ? 751  LYS   A CG   1 
ATOM   879  C CD   . LYS   A 1 156 ? -17.10019 -20.14863 -30.81243 1.000 32.82216 ? 751  LYS   A CD   1 
ATOM   880  C CE   . LYS   A 1 156 ? -17.36023 -21.47796 -31.48900 1.000 34.05396 ? 751  LYS   A CE   1 
ATOM   881  N NZ   . LYS   A 1 156 ? -18.69052 -21.52559 -32.18056 1.000 30.12817 ? 751  LYS   A NZ   1 
ATOM   882  N N    . ALA   A 1 157 ? -17.38160 -20.76699 -25.89573 1.000 33.35754 ? 752  ALA   A N    1 
ATOM   883  C CA   . ALA   A 1 157 ? -17.31858 -21.38262 -24.58082 1.000 38.07659 ? 752  ALA   A CA   1 
ATOM   884  C C    . ALA   A 1 157 ? -16.78620 -22.80244 -24.68835 1.000 38.11171 ? 752  ALA   A C    1 
ATOM   885  O O    . ALA   A 1 157 ? -17.10676 -23.53500 -25.62497 1.000 38.80483 ? 752  ALA   A O    1 
ATOM   886  C CB   . ALA   A 1 157 ? -18.69620 -21.39232 -23.91919 1.000 40.71248 ? 752  ALA   A CB   1 
ATOM   887  N N    . THR   A 1 158 ? -15.94020 -23.17056 -23.74171 1.000 50.97628 ? 753  THR   A N    1 
ATOM   888  C CA   . THR   A 1 158 ? -15.64041 -24.56282 -23.46030 1.000 49.98848 ? 753  THR   A CA   1 
ATOM   889  C C    . THR   A 1 158 ? -16.13273 -24.84917 -22.05362 1.000 59.15099 ? 753  THR   A C    1 
ATOM   890  O O    . THR   A 1 158 ? -15.99303 -24.01190 -21.15747 1.000 59.27406 ? 753  THR   A O    1 
ATOM   891  C CB   . THR   A 1 158 ? -14.14545 -24.88439 -23.56353 1.000 48.17931 ? 753  THR   A CB   1 
ATOM   892  O OG1  . THR   A 1 158 ? -13.44667 -24.23156 -22.49875 1.000 56.00042 ? 753  THR   A OG1  1 
ATOM   893  C CG2  . THR   A 1 158 ? -13.58241 -24.42125 -24.90753 1.000 50.43142 ? 753  THR   A CG2  1 
ATOM   894  N N    . GLN   A 1 159 ? -16.73295 -26.01290 -21.86298 1.000 67.26701 ? 754  GLN   A N    1 
ATOM   895  C CA   . GLN   A 1 159 ? -17.25176 -26.37674 -20.55609 1.000 68.47721 ? 754  GLN   A CA   1 
ATOM   896  C C    . GLN   A 1 159 ? -16.14587 -27.03731 -19.74957 1.000 68.17787 ? 754  GLN   A C    1 
ATOM   897  O O    . GLN   A 1 159 ? -15.42313 -27.89589 -20.26543 1.000 68.00722 ? 754  GLN   A O    1 
ATOM   898  C CB   . GLN   A 1 159 ? -18.45869 -27.30057 -20.69487 1.000 71.96478 ? 754  GLN   A CB   1 
ATOM   899  C CG   . GLN   A 1 159 ? -19.52606 -26.74781 -21.62067 1.000 73.86624 ? 754  GLN   A CG   1 
ATOM   900  C CD   . GLN   A 1 159 ? -19.27230 -27.10497 -23.06495 1.000 74.64420 ? 754  GLN   A CD   1 
ATOM   901  O OE1  . GLN   A 1 159 ? -18.80458 -28.20224 -23.36140 1.000 78.11727 ? 754  GLN   A OE1  1 
ATOM   902  N NE2  . GLN   A 1 159 ? -19.57702 -26.18128 -23.97569 1.000 71.86135 ? 754  GLN   A NE2  1 
ATOM   903  N N    . ARG   A 1 160 ? -15.99034 -26.60776 -18.49847 1.000 68.11387 ? 755  ARG   A N    1 
ATOM   904  C CA   . ARG   A 1 160 ? -15.03765 -27.26971 -17.62794 1.000 63.25925 ? 755  ARG   A CA   1 
ATOM   905  C C    . ARG   A 1 160 ? -15.35656 -28.75928 -17.56705 1.000 60.59426 ? 755  ARG   A C    1 
ATOM   906  O O    . ARG   A 1 160 ? -16.48408 -29.20126 -17.80624 1.000 59.28667 ? 755  ARG   A O    1 
ATOM   907  C CB   . ARG   A 1 160 ? -15.04408 -26.65227 -16.22906 1.000 61.77536 ? 755  ARG   A CB   1 
ATOM   908  N N    . THR   A 1 161 ? -14.33012 -29.53708 -17.26484 1.000 59.11091 ? 756  THR   A N    1 
ATOM   909  C CA   . THR   A 1 161 ? -14.38130 -30.97715 -17.41238 1.000 57.31936 ? 756  THR   A CA   1 
ATOM   910  C C    . THR   A 1 161 ? -13.77675 -31.59529 -16.16644 1.000 53.20477 ? 756  THR   A C    1 
ATOM   911  O O    . THR   A 1 161 ? -12.97694 -30.97152 -15.46670 1.000 55.81448 ? 756  THR   A O    1 
ATOM   912  C CB   . THR   A 1 161 ? -13.62329 -31.42281 -18.67259 1.000 56.28046 ? 756  THR   A CB   1 
ATOM   913  O OG1  . THR   A 1 161 ? -12.35974 -30.74966 -18.71456 1.000 52.96651 ? 756  THR   A OG1  1 
ATOM   914  C CG2  . THR   A 1 161 ? -14.39762 -31.06053 -19.92668 1.000 54.99047 ? 756  THR   A CG2  1 
ATOM   915  N N    . GLU   A 1 162 ? -14.17324 -32.82802 -15.88422 1.000 50.87858 ? 757  GLU   A N    1 
ATOM   916  C CA   . GLU   A 1 162 ? -13.62359 -33.53051 -14.73680 1.000 51.14999 ? 757  GLU   A CA   1 
ATOM   917  C C    . GLU   A 1 162 ? -12.24462 -34.08121 -15.07689 1.000 43.49978 ? 757  GLU   A C    1 
ATOM   918  O O    . GLU   A 1 162 ? -11.98730 -34.50016 -16.20979 1.000 43.20504 ? 757  GLU   A O    1 
ATOM   919  C CB   . GLU   A 1 162 ? -14.55571 -34.66254 -14.29863 1.000 51.31590 ? 757  GLU   A CB   1 
ATOM   920  N N    . GLY   A 1 163 ? -11.34325 -34.04965 -14.09142 1.000 43.34994 ? 758  GLY   A N    1 
ATOM   921  C CA   . GLY   A 1 163 ? -10.06273 -34.71332 -14.21487 1.000 35.93641 ? 758  GLY   A CA   1 
ATOM   922  C C    . GLY   A 1 163 ? -9.65169  -35.30061 -12.88037 1.000 35.50441 ? 758  GLY   A C    1 
ATOM   923  O O    . GLY   A 1 163 ? -10.27449 -35.03921 -11.85109 1.000 38.90586 ? 758  GLY   A O    1 
ATOM   924  N N    . VAL   A 1 164 ? -8.59923  -36.11166 -12.91034 1.000 37.09591 ? 759  VAL   A N    1 
ATOM   925  C CA   . VAL   A 1 164 ? -7.98333  -36.59386 -11.67737 1.000 32.22470 ? 759  VAL   A CA   1 
ATOM   926  C C    . VAL   A 1 164 ? -6.86381  -35.61347 -11.34695 1.000 33.03740 ? 759  VAL   A C    1 
ATOM   927  O O    . VAL   A 1 164 ? -5.77582  -35.67405 -11.92210 1.000 31.18406 ? 759  VAL   A O    1 
ATOM   928  C CB   . VAL   A 1 164 ? -7.46577  -38.02981 -11.80380 1.000 33.67240 ? 759  VAL   A CB   1 
ATOM   929  C CG1  . VAL   A 1 164 ? -6.88990  -38.50061 -10.45775 1.000 30.20657 ? 759  VAL   A CG1  1 
ATOM   930  C CG2  . VAL   A 1 164 ? -8.57977  -38.96067 -12.26297 1.000 33.61016 ? 759  VAL   A CG2  1 
ATOM   931  N N    . SER   A 1 165 ? -7.13809  -34.70003 -10.42379 1.000 34.06327 ? 760  SER   A N    1 
ATOM   932  C CA   . SER   A 1 165 ? -6.17180  -33.68058 -10.06503 1.000 32.86002 ? 760  SER   A CA   1 
ATOM   933  C C    . SER   A 1 165 ? -5.15052  -34.23889 -9.08133  1.000 29.69895 ? 760  SER   A C    1 
ATOM   934  O O    . SER   A 1 165 ? -5.34747  -35.29541 -8.47142  1.000 27.75375 ? 760  SER   A O    1 
ATOM   935  C CB   . SER   A 1 165 ? -6.87796  -32.47186 -9.45035  1.000 32.42965 ? 760  SER   A CB   1 
ATOM   936  O OG   . SER   A 1 165 ? -7.33373  -32.78664 -8.13925  1.000 31.08744 ? 760  SER   A OG   1 
ATOM   937  N N    . THR   A 1 166 ? -4.04722  -33.50180 -8.93083  1.000 30.92560 ? 761  THR   A N    1 
ATOM   938  C CA   . THR   A 1 166 ? -3.09095  -33.78429 -7.86479  1.000 28.51270 ? 761  THR   A CA   1 
ATOM   939  C C    . THR   A 1 166 ? -3.80145  -33.98262 -6.53129  1.000 30.15525 ? 761  THR   A C    1 
ATOM   940  O O    . THR   A 1 166 ? -3.50467  -34.92343 -5.78374  1.000 32.48212 ? 761  THR   A O    1 
ATOM   941  C CB   . THR   A 1 166 ? -2.07307  -32.64225 -7.75839  1.000 30.23339 ? 761  THR   A CB   1 
ATOM   942  O OG1  . THR   A 1 166 ? -1.37403  -32.50129 -8.99705  1.000 32.58276 ? 761  THR   A OG1  1 
ATOM   943  C CG2  . THR   A 1 166 ? -1.06770  -32.90968 -6.63698  1.000 30.39706 ? 761  THR   A CG2  1 
ATOM   944  N N    . THR   A 1 167 ? -4.74813  -33.09887 -6.21736  1.000 30.10501 ? 762  THR   A N    1 
ATOM   945  C CA   . THR   A 1 167 ? -5.49162  -33.21182 -4.96590  1.000 28.43179 ? 762  THR   A CA   1 
ATOM   946  C C    . THR   A 1 167 ? -6.28488  -34.51128 -4.91770  1.000 32.10981 ? 762  THR   A C    1 
ATOM   947  O O    . THR   A 1 167 ? -6.30038  -35.20794 -3.89662  1.000 30.43444 ? 762  THR   A O    1 
ATOM   948  C CB   . THR   A 1 167 ? -6.42768  -32.01241 -4.80236  1.000 30.19977 ? 762  THR   A CB   1 
ATOM   949  O OG1  . THR   A 1 167 ? -5.68360  -30.79458 -4.92980  1.000 31.31435 ? 762  THR   A OG1  1 
ATOM   950  C CG2  . THR   A 1 167 ? -7.09769  -32.04288 -3.42754  1.000 32.64563 ? 762  THR   A CG2  1 
ATOM   951  N N    . ASP   A 1 168 ? -6.97264  -34.84347 -6.01270  1.000 29.09134 ? 763  ASP   A N    1 
ATOM   952  C CA   . ASP   A 1 168 ? -7.71206  -36.10333 -6.06494  1.000 31.37419 ? 763  ASP   A CA   1 
ATOM   953  C C    . ASP   A 1 168 ? -6.79033  -37.28560 -5.80691  1.000 32.22550 ? 763  ASP   A C    1 
ATOM   954  O O    . ASP   A 1 168 ? -7.14382  -38.21039 -5.06045  1.000 31.49931 ? 763  ASP   A O    1 
ATOM   955  C CB   . ASP   A 1 168 ? -8.39340  -36.26728 -7.42627  1.000 32.93771 ? 763  ASP   A CB   1 
ATOM   956  C CG   . ASP   A 1 168 ? -9.48339  -35.24222 -7.66995  1.000 35.64398 ? 763  ASP   A CG   1 
ATOM   957  O OD1  . ASP   A 1 168 ? -10.11046 -34.78061 -6.69275  1.000 37.50045 ? 763  ASP   A OD1  1 
ATOM   958  O OD2  . ASP   A 1 168 ? -9.71496  -34.91340 -8.85095  1.000 35.83372 ? 763  ASP   A OD2  1 
ATOM   959  N N    . LEU   A 1 169 ? -5.60591  -37.27243 -6.42578  1.000 30.92459 ? 764  LEU   A N    1 
ATOM   960  C CA   . LEU   A 1 169 ? -4.64349  -38.35960 -6.25612  1.000 31.59743 ? 764  LEU   A CA   1 
ATOM   961  C C    . LEU   A 1 169 ? -4.21704  -38.50422 -4.79856  1.000 30.51781 ? 764  LEU   A C    1 
ATOM   962  O O    . LEU   A 1 169 ? -4.19866  -39.61352 -4.25411  1.000 28.93559 ? 764  LEU   A O    1 
ATOM   963  C CB   . LEU   A 1 169 ? -3.42199  -38.12213 -7.13991  1.000 28.11864 ? 764  LEU   A CB   1 
ATOM   964  C CG   . LEU   A 1 169 ? -3.56628  -38.19545 -8.66051  1.000 32.09270 ? 764  LEU   A CG   1 
ATOM   965  C CD1  . LEU   A 1 169 ? -2.23943  -37.83993 -9.32709  1.000 32.72875 ? 764  LEU   A CD1  1 
ATOM   966  C CD2  . LEU   A 1 169 ? -4.01434  -39.57690 -9.08480  1.000 31.90014 ? 764  LEU   A CD2  1 
ATOM   967  N N    . ILE   A 1 170 ? -3.84160  -37.39659 -4.15750  1.000 30.01128 ? 765  ILE   A N    1 
ATOM   968  C CA   . ILE   A 1 170 ? -3.37253  -37.46934 -2.77337  1.000 31.04456 ? 765  ILE   A CA   1 
ATOM   969  C C    . ILE   A 1 170 ? -4.46668  -38.00883 -1.86350  1.000 30.68596 ? 765  ILE   A C    1 
ATOM   970  O O    . ILE   A 1 170 ? -4.21169  -38.83995 -0.98731  1.000 31.73653 ? 765  ILE   A O    1 
ATOM   971  C CB   . ILE   A 1 170 ? -2.88544  -36.09226 -2.28901  1.000 30.84395 ? 765  ILE   A CB   1 
ATOM   972  C CG1  . ILE   A 1 170 ? -1.79929  -35.55311 -3.20859  1.000 38.18146 ? 765  ILE   A CG1  1 
ATOM   973  C CG2  . ILE   A 1 170 ? -2.35986  -36.19814 -0.86578  1.000 35.55274 ? 765  ILE   A CG2  1 
ATOM   974  C CD1  . ILE   A 1 170 ? -0.43701  -36.15263 -2.96853  1.000 42.80324 ? 765  ILE   A CD1  1 
ATOM   975  N N    . VAL   A 1 171 ? -5.69871  -37.53880 -2.05286  1.000 30.28280 ? 766  VAL   A N    1 
ATOM   976  C CA   . VAL   A 1 171 ? -6.81658  -38.00130 -1.23709  1.000 30.48406 ? 766  VAL   A CA   1 
ATOM   977  C C    . VAL   A 1 171 ? -7.05471  -39.48624 -1.45571  1.000 31.31311 ? 766  VAL   A C    1 
ATOM   978  O O    . VAL   A 1 171 ? -7.31621  -40.24071 -0.50981  1.000 30.70645 ? 766  VAL   A O    1 
ATOM   979  C CB   . VAL   A 1 171 ? -8.07068  -37.17579 -1.56947  1.000 29.18876 ? 766  VAL   A CB   1 
ATOM   980  C CG1  . VAL   A 1 171 ? -9.31836  -37.79479 -0.92229  1.000 32.30461 ? 766  VAL   A CG1  1 
ATOM   981  C CG2  . VAL   A 1 171 ? -7.86968  -35.74058 -1.12477  1.000 31.58857 ? 766  VAL   A CG2  1 
ATOM   982  N N    . ARG   A 1 172 ? -6.98694  -39.92590 -2.71091  1.000 28.68273 ? 767  ARG   A N    1 
ATOM   983  C CA   . ARG   A 1 172 ? -7.17688  -41.33659 -3.00244  1.000 30.44553 ? 767  ARG   A CA   1 
ATOM   984  C C    . ARG   A 1 172 ? -6.10067  -42.18407 -2.33425  1.000 31.44376 ? 767  ARG   A C    1 
ATOM   985  O O    . ARG   A 1 172 ? -6.40142  -43.23237 -1.74906  1.000 30.60844 ? 767  ARG   A O    1 
ATOM   986  C CB   . ARG   A 1 172 ? -7.18593  -41.54464 -4.51515  1.000 30.17028 ? 767  ARG   A CB   1 
ATOM   987  C CG   . ARG   A 1 172 ? -7.61153  -42.91943 -4.94011  1.000 33.07741 ? 767  ARG   A CG   1 
ATOM   988  C CD   . ARG   A 1 172 ? -7.43231  -43.07078 -6.43667  1.000 30.86014 ? 767  ARG   A CD   1 
ATOM   989  N NE   . ARG   A 1 172 ? -8.36499  -42.24807 -7.19831  1.000 30.43858 ? 767  ARG   A NE   1 
ATOM   990  C CZ   . ARG   A 1 172 ? -8.43064  -42.25985 -8.52099  1.000 30.53710 ? 767  ARG   A CZ   1 
ATOM   991  N NH1  . ARG   A 1 172 ? -7.61755  -43.01375 -9.23841  1.000 29.01807 ? 767  ARG   A NH1  1 
ATOM   992  N NH2  . ARG   A 1 172 ? -9.34423  -41.51310 -9.13849  1.000 31.68123 ? 767  ARG   A NH2  1 
ATOM   993  N N    . ILE   A 1 173 ? -4.84615  -41.73025 -2.38940  1.000 27.71431 ? 768  ILE   A N    1 
ATOM   994  C CA   . ILE   A 1 173 ? -3.74819  -42.47838 -1.78659  1.000 28.03150 ? 768  ILE   A CA   1 
ATOM   995  C C    . ILE   A 1 173 ? -3.90644  -42.52706 -0.27061  1.000 31.75518 ? 768  ILE   A C    1 
ATOM   996  O O    . ILE   A 1 173 ? -3.82675  -43.59992 0.33964   1.000 29.42891 ? 768  ILE   A O    1 
ATOM   997  C CB   . ILE   A 1 173 ? -2.39580  -41.86392 -2.19207  1.000 29.18870 ? 768  ILE   A CB   1 
ATOM   998  C CG1  . ILE   A 1 173 ? -2.11421  -42.07871 -3.68819  1.000 28.33126 ? 768  ILE   A CG1  1 
ATOM   999  C CG2  . ILE   A 1 173 ? -1.25889  -42.44265 -1.35243  1.000 30.42889 ? 768  ILE   A CG2  1 
ATOM   1000 C CD1  . ILE   A 1 173 ? -0.83272  -41.41778 -4.16502  1.000 27.39188 ? 768  ILE   A CD1  1 
ATOM   1001 N N    . LEU   A 1 174 ? -4.15962  -41.36962 0.35325   1.000 29.94792 ? 769  LEU   A N    1 
ATOM   1002 C CA   . LEU   A 1 174 ? -4.19300  -41.28604 1.81266   1.000 29.15819 ? 769  LEU   A CA   1 
ATOM   1003 C C    . LEU   A 1 174 ? -5.35602  -42.07083 2.40027   1.000 31.70560 ? 769  LEU   A C    1 
ATOM   1004 O O    . LEU   A 1 174 ? -5.27971  -42.51071 3.55209   1.000 30.17867 ? 769  LEU   A O    1 
ATOM   1005 C CB   . LEU   A 1 174 ? -4.26003  -39.82492 2.25244   1.000 28.92292 ? 769  LEU   A CB   1 
ATOM   1006 C CG   . LEU   A 1 174 ? -2.98589  -39.01963 1.99574   1.000 31.68186 ? 769  LEU   A CG   1 
ATOM   1007 C CD1  . LEU   A 1 174 ? -3.15434  -37.57810 2.41251   1.000 29.06137 ? 769  LEU   A CD1  1 
ATOM   1008 C CD2  . LEU   A 1 174 ? -1.82658  -39.64781 2.73458   1.000 35.42772 ? 769  LEU   A CD2  1 
ATOM   1009 N N    . LYS   A 1 175 ? -6.42999  -42.26270 1.62865   1.000 30.89033 ? 770  LYS   A N    1 
ATOM   1010 C CA   . LYS   A 1 175 ? -7.58341  -43.02177 2.10185   1.000 34.18328 ? 770  LYS   A CA   1 
ATOM   1011 C C    . LYS   A 1 175 ? -7.20821  -44.43961 2.51119   1.000 33.74579 ? 770  LYS   A C    1 
ATOM   1012 O O    . LYS   A 1 175 ? -7.92335  -45.05201 3.31390   1.000 33.76400 ? 770  LYS   A O    1 
ATOM   1013 C CB   . LYS   A 1 175 ? -8.66722  -43.05949 1.01449   1.000 33.15430 ? 770  LYS   A CB   1 
ATOM   1014 N N    . ASN   A 1 176 ? -6.11176  -44.97540 1.97645   1.000 31.79438 ? 771  ASN   A N    1 
ATOM   1015 C CA   . ASN   A 1 176 ? -5.63551  -46.30223 2.35438   1.000 33.18895 ? 771  ASN   A CA   1 
ATOM   1016 C C    . ASN   A 1 176 ? -4.89539  -46.32239 3.68430   1.000 32.08038 ? 771  ASN   A C    1 
ATOM   1017 O O    . ASN   A 1 176 ? -4.65110  -47.41111 4.22137   1.000 31.88620 ? 771  ASN   A O    1 
ATOM   1018 C CB   . ASN   A 1 176 ? -4.70680  -46.85735 1.27316   1.000 33.68462 ? 771  ASN   A CB   1 
ATOM   1019 C CG   . ASN   A 1 176 ? -5.46668  -47.43550 0.10218   1.000 43.10336 ? 771  ASN   A CG   1 
ATOM   1020 O OD1  . ASN   A 1 176 ? -6.53153  -48.04776 0.27217   1.000 45.65853 ? 771  ASN   A OD1  1 
ATOM   1021 N ND2  . ASN   A 1 176 ? -4.93220  -47.24384 -1.09648  1.000 47.54205 ? 771  ASN   A ND2  1 
ATOM   1022 N N    . TYR   A 1 177 ? -4.51903  -45.16072 4.21586   1.000 29.26455 ? 772  TYR   A N    1 
ATOM   1023 C CA   . TYR   A 1 177 ? -3.73181  -45.11082 5.43702   1.000 30.00609 ? 772  TYR   A CA   1 
ATOM   1024 C C    . TYR   A 1 177 ? -4.46829  -44.50231 6.61773   1.000 30.53472 ? 772  TYR   A C    1 
ATOM   1025 O O    . TYR   A 1 177 ? -4.06349  -44.74162 7.75526   1.000 31.47270 ? 772  TYR   A O    1 
ATOM   1026 C CB   . TYR   A 1 177 ? -2.42067  -44.34169 5.19040   1.000 29.71900 ? 772  TYR   A CB   1 
ATOM   1027 C CG   . TYR   A 1 177 ? -1.59030  -45.01242 4.12121   1.000 27.79123 ? 772  TYR   A CG   1 
ATOM   1028 C CD1  . TYR   A 1 177 ? -0.71313  -46.04078 4.43958   1.000 32.85307 ? 772  TYR   A CD1  1 
ATOM   1029 C CD2  . TYR   A 1 177 ? -1.74090  -44.66946 2.79173   1.000 29.47573 ? 772  TYR   A CD2  1 
ATOM   1030 C CE1  . TYR   A 1 177 ? 0.02317   -46.67836 3.46018   1.000 32.01687 ? 772  TYR   A CE1  1 
ATOM   1031 C CE2  . TYR   A 1 177 ? -1.01149  -45.29866 1.80262   1.000 33.91015 ? 772  TYR   A CE2  1 
ATOM   1032 C CZ   . TYR   A 1 177 ? -0.12815  -46.30272 2.14350   1.000 34.48350 ? 772  TYR   A CZ   1 
ATOM   1033 O OH   . TYR   A 1 177 ? 0.60052   -46.94101 1.16212   1.000 35.11391 ? 772  TYR   A OH   1 
ATOM   1034 N N    . GLU   A 1 178 ? -5.52646  -43.72771 6.38813   1.000 31.29608 ? 773  GLU   A N    1 
ATOM   1035 C CA   . GLU   A 1 178 ? -6.33126  -43.24018 7.50454   1.000 32.39866 ? 773  GLU   A CA   1 
ATOM   1036 C C    . GLU   A 1 178 ? -7.73409  -42.89372 7.01906   1.000 36.87617 ? 773  GLU   A C    1 
ATOM   1037 O O    . GLU   A 1 178 ? -7.93566  -42.55480 5.85086   1.000 36.00359 ? 773  GLU   A O    1 
ATOM   1038 C CB   . GLU   A 1 178 ? -5.68653  -42.02258 8.17365   1.000 34.12549 ? 773  GLU   A CB   1 
ATOM   1039 C CG   . GLU   A 1 178 ? -5.61408  -40.79253 7.29340   1.000 33.69127 ? 773  GLU   A CG   1 
ATOM   1040 C CD   . GLU   A 1 178 ? -4.97320  -39.60723 7.99553   1.000 34.98289 ? 773  GLU   A CD   1 
ATOM   1041 O OE1  . GLU   A 1 178 ? -4.52065  -39.76218 9.15188   1.000 35.72404 ? 773  GLU   A OE1  1 
ATOM   1042 O OE2  . GLU   A 1 178 ? -4.93245  -38.51016 7.39977   1.000 35.12160 ? 773  GLU   A OE2  1 
ATOM   1043 N N    . ASP   A 1 179 ? -8.69920  -42.98506 7.92845   1.000 38.09835 ? 774  ASP   A N    1 
ATOM   1044 C CA   . ASP   A 1 179 ? -10.05831 -42.54789 7.62905   1.000 44.40396 ? 774  ASP   A CA   1 
ATOM   1045 C C    . ASP   A 1 179 ? -10.14738 -41.02260 7.65186   1.000 48.15553 ? 774  ASP   A C    1 
ATOM   1046 O O    . ASP   A 1 179 ? -9.56272  -40.37615 8.52735   1.000 46.99449 ? 774  ASP   A O    1 
ATOM   1047 C CB   . ASP   A 1 179 ? -11.04434 -43.15736 8.62536   1.000 48.94560 ? 774  ASP   A CB   1 
ATOM   1048 C CG   . ASP   A 1 179 ? -11.10959 -44.66300 8.51635   1.000 55.80977 ? 774  ASP   A CG   1 
ATOM   1049 O OD1  . ASP   A 1 179 ? -11.19709 -45.16762 7.37494   1.000 58.69182 ? 774  ASP   A OD1  1 
ATOM   1050 O OD2  . ASP   A 1 179 ? -11.05205 -45.34197 9.56295   1.000 57.19108 ? 774  ASP   A OD2  1 
HETATM 1051 C C02  . A1IWV B 2 .   ? -5.70991  -16.27767 -17.74500 1.000 37.19622 ? 801  A1IWV A C02  1 
HETATM 1052 C C03  . A1IWV B 2 .   ? -5.95450  -16.34280 -16.26862 1.000 39.83362 ? 801  A1IWV A C03  1 
HETATM 1053 C C04  . A1IWV B 2 .   ? -7.26132  -15.64367 -15.97450 1.000 43.96363 ? 801  A1IWV A C04  1 
HETATM 1054 C C05  . A1IWV B 2 .   ? -7.20333  -14.20486 -16.43516 1.000 44.34104 ? 801  A1IWV A C05  1 
HETATM 1055 C C07  . A1IWV B 2 .   ? -5.54149  -14.85186 -18.14438 1.000 40.20585 ? 801  A1IWV A C07  1 
HETATM 1056 N N06  . A1IWV B 2 .   ? -6.86309  -14.12136 -17.93422 1.000 42.96797 ? 801  A1IWV A N06  1 
HETATM 1057 O O01  . A1IWV B 2 .   ? -6.85304  -16.79441 -18.37733 1.000 46.44984 ? 801  A1IWV A O01  1 
HETATM 1058 H H021 . A1IWV B 2 .   ? -4.78714  -16.85098 -18.02149 1.000 44.59164 ? 801  A1IWV A H021 1 
HETATM 1059 H H031 . A1IWV B 2 .   ? -5.11010  -15.87979 -15.72065 1.000 47.75652 ? 801  A1IWV A H031 1 
HETATM 1060 H H032 . A1IWV B 2 .   ? -5.96924  -17.39766 -15.92993 1.000 47.75652 ? 801  A1IWV A H032 1 
HETATM 1061 H H041 . A1IWV B 2 .   ? -7.49605  -15.68558 -14.88939 1.000 52.71253 ? 801  A1IWV A H041 1 
HETATM 1062 H H042 . A1IWV B 2 .   ? -8.10849  -16.16629 -16.46794 1.000 52.71253 ? 801  A1IWV A H042 1 
HETATM 1063 H H051 . A1IWV B 2 .   ? -6.45744  -13.66580 -15.80035 1.000 53.16543 ? 801  A1IWV A H051 1 
HETATM 1064 H H052 . A1IWV B 2 .   ? -8.18302  -13.72265 -16.19517 1.000 53.16543 ? 801  A1IWV A H052 1 
HETATM 1065 H H071 . A1IWV B 2 .   ? -4.69605  -14.42607 -17.54766 1.000 48.20320 ? 801  A1IWV A H071 1 
HETATM 1066 H H072 . A1IWV B 2 .   ? -5.18421  -14.83254 -19.20464 1.000 48.20320 ? 801  A1IWV A H072 1 
HETATM 1067 H H061 . A1IWV B 2 .   ? -6.81840  -13.15131 -18.26541 1.000 51.51774 ? 801  A1IWV A H061 1 
HETATM 1068 H H011 . A1IWV B 2 .   ? -6.87315  -17.71956 -18.14032 1.000 55.69599 ? 801  A1IWV A H011 1 
HETATM 1069 C C02  . A1IWV C 2 .   ? -13.96975 -14.56795 -37.97694 1.000 44.74549 ? 802  A1IWV A C02  1 
HETATM 1070 C C03  . A1IWV C 2 .   ? -13.80233 -14.56646 -36.46809 1.000 37.11943 ? 802  A1IWV A C03  1 
HETATM 1071 C C04  . A1IWV C 2 .   ? -15.02117 -14.03919 -35.73125 1.000 37.50171 ? 802  A1IWV A C04  1 
HETATM 1072 C C05  . A1IWV C 2 .   ? -16.30818 -14.60581 -36.21593 1.000 34.58526 ? 802  A1IWV A C05  1 
HETATM 1073 C C07  . A1IWV C 2 .   ? -15.27186 -13.88481 -38.36868 1.000 40.23557 ? 802  A1IWV A C07  1 
HETATM 1074 N N06  . A1IWV C 2 .   ? -16.45554 -14.59024 -37.74303 1.000 38.27685 ? 802  A1IWV A N06  1 
HETATM 1075 O O01  . A1IWV C 2 .   ? -13.97768 -15.90298 -38.44824 1.000 46.79539 ? 802  A1IWV A O01  1 
HETATM 1076 H H021 . A1IWV C 2 .   ? -13.11725 -13.99753 -38.42917 1.000 53.65077 ? 802  A1IWV A H021 1 
HETATM 1077 H H031 . A1IWV C 2 .   ? -12.90552 -13.96924 -36.20981 1.000 44.49950 ? 802  A1IWV A H031 1 
HETATM 1078 H H032 . A1IWV C 2 .   ? -13.56412 -15.59605 -36.13512 1.000 44.49950 ? 802  A1IWV A H032 1 
HETATM 1079 H H041 . A1IWV C 2 .   ? -15.06111 -12.93169 -35.80976 1.000 44.95823 ? 802  A1IWV A H041 1 
HETATM 1080 H H042 . A1IWV C 2 .   ? -14.92316 -14.24268 -34.64345 1.000 44.95823 ? 802  A1IWV A H042 1 
HETATM 1081 H H051 . A1IWV C 2 .   ? -16.38952 -15.64206 -35.80423 1.000 41.45849 ? 802  A1IWV A H051 1 
HETATM 1082 H H052 . A1IWV C 2 .   ? -17.12988 -14.03555 -35.71641 1.000 41.45849 ? 802  A1IWV A H052 1 
HETATM 1083 H H071 . A1IWV C 2 .   ? -15.18797 -12.81139 -38.06390 1.000 48.23886 ? 802  A1IWV A H071 1 
HETATM 1084 H H072 . A1IWV C 2 .   ? -15.31241 -13.86452 -39.48677 1.000 48.23886 ? 802  A1IWV A H072 1 
HETATM 1085 H H061 . A1IWV C 2 .   ? -16.54586 -15.54311 -38.11258 1.000 45.88840 ? 802  A1IWV A H061 1 
HETATM 1086 H H011 . A1IWV C 2 .   ? -14.51469 -16.40046 -37.84857 1.000 56.11064 ? 802  A1IWV A H011 1 
HETATM 1087 O O    . HOH   D 3 .   ? -8.59241  -18.61907 -20.83237 1.000 31.99292 ? 901  HOH   A O    1 
HETATM 1088 O O    . HOH   D 3 .   ? 1.16582   -23.37531 -36.26029 1.000 42.29028 ? 902  HOH   A O    1 
HETATM 1089 O O    . HOH   D 3 .   ? -22.61531 -14.59936 -22.24954 1.000 48.10977 ? 903  HOH   A O    1 
HETATM 1090 O O    . HOH   D 3 .   ? -2.62846  -18.44001 -2.02631  1.000 47.08606 ? 904  HOH   A O    1 
HETATM 1091 O O    . HOH   D 3 .   ? -6.59145  -16.21998 -38.71352 1.000 35.42884 ? 905  HOH   A O    1 
HETATM 1092 O O    . HOH   D 3 .   ? -4.72876  -20.31957 -40.40881 1.000 38.12926 ? 906  HOH   A O    1 
HETATM 1093 O O    . HOH   D 3 .   ? 10.49084  -27.40295 -16.98518 1.000 39.57553 ? 907  HOH   A O    1 
HETATM 1094 O O    . HOH   D 3 .   ? 11.53612  -27.91217 -13.13105 1.000 36.55520 ? 908  HOH   A O    1 
HETATM 1095 O O    . HOH   D 3 .   ? -19.82107 -17.93867 -30.27009 1.000 33.64643 ? 909  HOH   A O    1 
HETATM 1096 O O    . HOH   D 3 .   ? -9.16338  -31.18541 -7.55474  1.000 41.74231 ? 910  HOH   A O    1 
HETATM 1097 O O    . HOH   D 3 .   ? -8.64975  -18.47929 -18.83349 1.000 43.76144 ? 911  HOH   A O    1 
HETATM 1098 O O    . HOH   D 3 .   ? -1.47414  -7.05765  -38.54151 1.000 56.69281 ? 912  HOH   A O    1 
HETATM 1099 O O    . HOH   D 3 .   ? 13.73212  -29.59513 -21.45463 1.000 45.26862 ? 913  HOH   A O    1 
HETATM 1100 O O    . HOH   D 3 .   ? -10.88716 -32.79386 -9.60128  1.000 45.60742 ? 914  HOH   A O    1 
HETATM 1101 O O    . HOH   D 3 .   ? -24.603   -5.087    -25.888   1.000 36.22685 ? 915  HOH   A O    1 
HETATM 1102 O O    . HOH   D 3 .   ? -1.88772  -22.64972 -8.48957  1.000 31.54702 ? 916  HOH   A O    1 
HETATM 1103 O O    . HOH   D 3 .   ? -1.50553  -16.65312 -36.07270 1.000 37.41785 ? 917  HOH   A O    1 
HETATM 1104 O O    . HOH   D 3 .   ? -3.438    -37.886   10.513    1.000 30.73216 ? 918  HOH   A O    1 
HETATM 1105 O O    . HOH   D 3 .   ? -8.67224  -39.85449 1.62546   1.000 39.38408 ? 919  HOH   A O    1 
HETATM 1106 O O    . HOH   D 3 .   ? 9.13221   -17.22836 -14.82982 1.000 40.88509 ? 920  HOH   A O    1 
HETATM 1107 O O    . HOH   D 3 .   ? 4.06888   -30.67781 -15.30071 1.000 35.36381 ? 921  HOH   A O    1 
HETATM 1108 O O    . HOH   D 3 .   ? -0.26503  -8.69962  -19.24372 1.000 30.09615 ? 922  HOH   A O    1 
HETATM 1109 O O    . HOH   D 3 .   ? -5.56943  -36.22756 -14.43881 1.000 29.58986 ? 923  HOH   A O    1 
HETATM 1110 O O    . HOH   D 3 .   ? 0.35432   -13.33364 -17.78751 1.000 26.76481 ? 924  HOH   A O    1 
HETATM 1111 O O    . HOH   D 3 .   ? -8.73718  -46.80681 -0.30105  1.000 49.04468 ? 925  HOH   A O    1 
HETATM 1112 O O    . HOH   D 3 .   ? 4.590     -14.049   -29.229   1.000 41.54059 ? 926  HOH   A O    1 
HETATM 1113 O O    . HOH   D 3 .   ? -4.03422  -13.83389 -22.90524 1.000 23.91268 ? 927  HOH   A O    1 
HETATM 1114 O O    . HOH   D 3 .   ? -11.92560 -36.41597 -24.37761 1.000 37.45457 ? 928  HOH   A O    1 
HETATM 1115 O O    . HOH   D 3 .   ? -2.30436  -21.20612 -38.30179 1.000 40.37009 ? 929  HOH   A O    1 
HETATM 1116 O O    . HOH   D 3 .   ? -8.40285  -44.88799 -2.03300  1.000 37.55382 ? 930  HOH   A O    1 
HETATM 1117 O O    . HOH   D 3 .   ? -18.46801 -23.34867 -27.85312 1.000 45.49352 ? 931  HOH   A O    1 
HETATM 1118 O O    . HOH   D 3 .   ? -12.15221 -38.66543 -17.36808 1.000 47.69638 ? 932  HOH   A O    1 
HETATM 1119 O O    . HOH   D 3 .   ? -4.42424  -41.36927 11.24627  1.000 27.80516 ? 933  HOH   A O    1 
HETATM 1120 O O    . HOH   D 3 .   ? -8.21064  -40.43978 10.80772  1.000 39.99857 ? 934  HOH   A O    1 
HETATM 1121 O O    . HOH   D 3 .   ? -14.33209 -30.59026 -34.84520 1.000 41.57235 ? 935  HOH   A O    1 
HETATM 1122 O O    . HOH   D 3 .   ? -10.44503 -37.98255 -27.30923 1.000 41.33620 ? 936  HOH   A O    1 
HETATM 1123 O O    . HOH   D 3 .   ? -15.22902 -28.75313 -29.19398 1.000 29.22614 ? 937  HOH   A O    1 
HETATM 1124 O O    . HOH   D 3 .   ? 10.23611  -31.40987 -22.57178 1.000 30.79840 ? 938  HOH   A O    1 
HETATM 1125 O O    . HOH   D 3 .   ? -17.39266 -27.72851 -27.73200 1.000 46.09450 ? 939  HOH   A O    1 
HETATM 1126 O O    . HOH   D 3 .   ? -16.40307 -6.11291  -29.86671 1.000 35.40961 ? 940  HOH   A O    1 
HETATM 1127 O O    . HOH   D 3 .   ? -12.47923 -32.93439 -24.58674 1.000 34.21319 ? 941  HOH   A O    1 
HETATM 1128 O O    . HOH   D 3 .   ? -9.00160  -18.16494 -23.20366 1.000 31.30057 ? 942  HOH   A O    1 
HETATM 1129 O O    . HOH   D 3 .   ? 11.63797  -23.67277 -13.83645 1.000 31.37375 ? 943  HOH   A O    1 
HETATM 1130 O O    . HOH   D 3 .   ? 1.72837   -28.66239 -15.49919 1.000 24.62472 ? 944  HOH   A O    1 
HETATM 1131 O O    . HOH   D 3 .   ? -2.93851  -20.09482 -9.26053  1.000 36.08879 ? 945  HOH   A O    1 
HETATM 1132 O O    . HOH   D 3 .   ? 6.17707   -19.97057 -7.07527  1.000 50.89886 ? 946  HOH   A O    1 
HETATM 1133 O O    . HOH   D 3 .   ? -4.42975  -30.13402 -36.53479 1.000 36.94602 ? 947  HOH   A O    1 
HETATM 1134 O O    . HOH   D 3 .   ? -7.70719  -24.24612 -21.94379 1.000 37.30850 ? 948  HOH   A O    1 
HETATM 1135 O O    . HOH   D 3 .   ? -17.92231 -24.14492 -32.34097 1.000 40.25066 ? 949  HOH   A O    1 
HETATM 1136 O O    . HOH   D 3 .   ? -9.91053  -29.46240 -35.10844 1.000 27.52010 ? 950  HOH   A O    1 
HETATM 1137 O O    . HOH   D 3 .   ? -3.28342  -6.73740  -21.85418 1.000 34.26890 ? 951  HOH   A O    1 
HETATM 1138 O O    . HOH   D 3 .   ? -19.30876 -19.94234 -34.33920 1.000 29.32255 ? 952  HOH   A O    1 
HETATM 1139 O O    . HOH   D 3 .   ? 1.25204   -27.07349 -17.65233 1.000 21.90107 ? 953  HOH   A O    1 
HETATM 1140 O O    . HOH   D 3 .   ? -9.28998  -7.54770  -33.05057 1.000 39.99810 ? 954  HOH   A O    1 
HETATM 1141 O O    . HOH   D 3 .   ? -9.86539  -38.71919 -4.78986  1.000 36.85705 ? 955  HOH   A O    1 
HETATM 1142 O O    . HOH   D 3 .   ? -8.99389  -37.08271 -31.91243 1.000 35.72603 ? 956  HOH   A O    1 
HETATM 1143 O O    . HOH   D 3 .   ? 5.99478   -19.72682 -29.72487 1.000 29.98430 ? 957  HOH   A O    1 
HETATM 1144 O O    . HOH   D 3 .   ? -13.24619 -36.26475 -31.20147 1.000 47.66634 ? 958  HOH   A O    1 
HETATM 1145 O O    . HOH   D 3 .   ? 7.14048   -21.89085 -8.33870  1.000 41.79981 ? 959  HOH   A O    1 
HETATM 1146 O O    . HOH   D 3 .   ? -5.42418  -23.08646 -16.34525 1.000 30.70303 ? 960  HOH   A O    1 
HETATM 1147 O O    . HOH   D 3 .   ? 3.56942   -10.90829 -8.21549  1.000 41.55914 ? 961  HOH   A O    1 
HETATM 1148 O O    . HOH   D 3 .   ? 11.26782  -24.93752 -10.50664 1.000 37.81824 ? 962  HOH   A O    1 
HETATM 1149 O O    . HOH   D 3 .   ? -2.97157  -30.52005 -32.69296 1.000 28.54495 ? 963  HOH   A O    1 
HETATM 1150 O O    . HOH   D 3 .   ? -6.99375  -22.63833 -44.60233 1.000 51.60399 ? 964  HOH   A O    1 
HETATM 1151 O O    . HOH   D 3 .   ? -3.67323  -9.20497  -25.09431 1.000 29.24008 ? 965  HOH   A O    1 
HETATM 1152 O O    . HOH   D 3 .   ? -19.09263 -17.31366 -32.88756 1.000 25.66341 ? 966  HOH   A O    1 
HETATM 1153 O O    . HOH   D 3 .   ? -7.755    -28.931   -4.373    1.000 32.01233 ? 967  HOH   A O    1 
HETATM 1154 O O    . HOH   D 3 .   ? -7.73104  -10.90554 -13.06064 1.000 42.01868 ? 968  HOH   A O    1 
HETATM 1155 O O    . HOH   D 3 .   ? 6.336     -9.140    -29.705   1.000 45.08907 ? 969  HOH   A O    1 
HETATM 1156 O O    . HOH   D 3 .   ? 6.87712   -15.50425 -15.70307 1.000 34.56627 ? 970  HOH   A O    1 
HETATM 1157 O O    . HOH   D 3 .   ? 2.73998   -11.26364 -19.54839 1.000 33.84688 ? 971  HOH   A O    1 
HETATM 1158 O O    . HOH   D 3 .   ? -2.33899  -5.17484  -33.43738 1.000 49.24833 ? 972  HOH   A O    1 
HETATM 1159 O O    . HOH   D 3 .   ? -0.37340  -33.29608 -32.34705 1.000 37.03096 ? 973  HOH   A O    1 
HETATM 1160 O O    . HOH   D 3 .   ? -1.50231  -25.34610 -37.17926 1.000 41.49026 ? 974  HOH   A O    1 
HETATM 1161 O O    . HOH   D 3 .   ? -12.80725 -33.96438 -7.21531  1.000 50.92181 ? 975  HOH   A O    1 
HETATM 1162 O O    . HOH   D 3 .   ? -12.33836 -25.25696 -40.05864 1.000 36.90966 ? 976  HOH   A O    1 
HETATM 1163 O O    . HOH   D 3 .   ? -16.38993 -9.25196  -35.74319 1.000 28.29752 ? 977  HOH   A O    1 
HETATM 1164 O O    . HOH   D 3 .   ? -15.31895 -19.60409 -39.09165 1.000 43.25466 ? 978  HOH   A O    1 
HETATM 1165 O O    . HOH   D 3 .   ? -19.90582 -20.28010 -27.21721 1.000 41.10305 ? 979  HOH   A O    1 
HETATM 1166 O O    . HOH   D 3 .   ? -11.31972 -36.20672 -4.47381  1.000 45.26982 ? 980  HOH   A O    1 
HETATM 1167 O O    . HOH   D 3 .   ? 10.87728  -26.95659 -24.38053 1.000 33.45408 ? 981  HOH   A O    1 
HETATM 1168 O O    . HOH   D 3 .   ? 7.00563   -13.46526 -13.92155 1.000 36.08650 ? 982  HOH   A O    1 
HETATM 1169 O O    . HOH   D 3 .   ? -15.88256 -6.42371  -22.58964 1.000 46.20621 ? 983  HOH   A O    1 
HETATM 1170 O O    . HOH   D 3 .   ? -4.55848  -44.21576 10.59239  1.000 35.51180 ? 984  HOH   A O    1 
HETATM 1171 O O    . HOH   D 3 .   ? -1.90868  -28.63791 -36.46403 1.000 45.12196 ? 985  HOH   A O    1 
HETATM 1172 O O    . HOH   D 3 .   ? -15.97495 -26.74921 -38.84956 1.000 35.79079 ? 986  HOH   A O    1 
HETATM 1173 O O    . HOH   D 3 .   ? -4.193    -23.946   -13.366   1.000 36.26328 ? 987  HOH   A O    1 
HETATM 1174 O O    . HOH   D 3 .   ? -12.80412 -37.53067 -27.99555 1.000 49.53686 ? 988  HOH   A O    1 
HETATM 1175 O O    . HOH   D 3 .   ? -2.18673  -36.31577 -33.20132 1.000 44.95214 ? 989  HOH   A O    1 
HETATM 1176 O O    . HOH   D 3 .   ? -7.59896  -44.36433 10.34094  1.000 41.05724 ? 990  HOH   A O    1 
HETATM 1177 O O    . HOH   D 3 .   ? -8.90688  -11.58293 -21.20597 1.000 35.82641 ? 991  HOH   A O    1 
HETATM 1178 O O    . HOH   D 3 .   ? -10.91494 -9.17386  -22.33085 1.000 43.77442 ? 992  HOH   A O    1 
HETATM 1179 O O    . HOH   D 3 .   ? -9.32763  -21.15239 -21.85625 1.000 44.21401 ? 993  HOH   A O    1 
HETATM 1180 O O    . HOH   D 3 .   ? -6.17361  -24.15027 -14.04928 1.000 42.14954 ? 994  HOH   A O    1 
HETATM 1181 O O    . HOH   D 3 .   ? -2.72904  -7.68409  -19.47953 1.000 28.32377 ? 995  HOH   A O    1 
HETATM 1182 O O    . HOH   D 3 .   ? -1.16641  -19.39891 -36.34691 1.000 41.69648 ? 996  HOH   A O    1 
HETATM 1183 O O    . HOH   D 3 .   ? 9.37522   -24.07172 -21.32697 1.000 28.92283 ? 997  HOH   A O    1 
HETATM 1184 O O    . HOH   D 3 .   ? -10.61638 -40.10700 -6.79417  1.000 44.73883 ? 998  HOH   A O    1 
HETATM 1185 O O    . HOH   D 3 .   ? -7.75020  -22.63440 -20.18142 1.000 43.74678 ? 999  HOH   A O    1 
HETATM 1186 O O    . HOH   D 3 .   ? -7.62704  -29.19161 -36.79425 1.000 30.56390 ? 1000 HOH   A O    1 
HETATM 1187 O O    . HOH   D 3 .   ? -6.35645  -20.48540 -15.53954 1.000 32.81633 ? 1001 HOH   A O    1 
HETATM 1188 O O    . HOH   D 3 .   ? -8.43149  -11.29966 -36.05922 1.000 45.20397 ? 1002 HOH   A O    1 
HETATM 1189 O O    . HOH   D 3 .   ? -10.45664 -43.81948 4.50691   1.000 49.50637 ? 1003 HOH   A O    1 
HETATM 1190 O O    . HOH   D 3 .   ? -9.44872  -9.06866  -35.05356 1.000 45.55512 ? 1004 HOH   A O    1 
HETATM 1191 O O    . HOH   D 3 .   ? -4.09042  -46.14094 -4.11718  1.000 41.99685 ? 1005 HOH   A O    1 
HETATM 1192 O O    . HOH   D 3 .   ? -10.84880 -31.73122 -11.68609 1.000 46.45661 ? 1006 HOH   A O    1 
HETATM 1193 O O    . HOH   D 3 .   ? -6.936    -26.715   -11.719   1.000 42.71495 ? 1007 HOH   A O    1 
HETATM 1194 O O    . HOH   D 3 .   ? 5.905     -22.887   -5.261    1.000 47.78161 ? 1008 HOH   A O    1 
HETATM 1195 O O    . HOH   D 3 .   ? 5.16538   -11.11942 -18.15003 1.000 48.79182 ? 1009 HOH   A O    1 
HETATM 1196 O O    . HOH   D 3 .   ? -3.88874  -12.06296 -24.86667 1.000 29.84442 ? 1010 HOH   A O    1 
HETATM 1197 O O    . HOH   D 3 .   ? -11.18450 -17.54542 -20.37342 1.000 48.20545 ? 1011 HOH   A O    1 
HETATM 1198 O O    . HOH   D 3 .   ? -0.479    -18.478   -1.256    1.000 46.46033 ? 1012 HOH   A O    1 
HETATM 1199 O O    . HOH   D 3 .   ? -8.54423  -20.20018 -17.37617 1.000 44.48094 ? 1013 HOH   A O    1 
HETATM 1200 O O    . HOH   D 3 .   ? -13.58601 -33.02045 -27.52424 1.000 34.73149 ? 1014 HOH   A O    1 
HETATM 1201 O O    . HOH   D 3 .   ? -9.508    -27.614   -15.175   1.000 45.47424 ? 1015 HOH   A O    1 
HETATM 1202 O O    . HOH   D 3 .   ? -11.672   -7.962    -36.802   1.000 44.71472 ? 1016 HOH   A O    1 
HETATM 1203 O O    . HOH   D 3 .   ? -9.225    -25.476   -14.332   1.000 49.65557 ? 1017 HOH   A O    1 
HETATM 1204 O O    . HOH   D 3 .   ? -1.52245  -7.41391  -25.43514 1.000 32.96675 ? 1018 HOH   A O    1 
HETATM 1205 O O    . HOH   D 3 .   ? -9.915    -45.952   -8.535    1.000 40.94745 ? 1019 HOH   A O    1 
HETATM 1206 O O    . HOH   D 3 .   ? 3.04584   -10.18721 -21.78680 1.000 43.13552 ? 1020 HOH   A O    1 
HETATM 1207 O O    . HOH   D 3 .   ? -10.344   -39.061   4.973     1.000 49.58501 ? 1021 HOH   A O    1 
HETATM 1208 O O    . HOH   D 3 .   ? -0.76194  -6.23389  -35.78156 1.000 52.07471 ? 1022 HOH   A O    1 
HETATM 1209 O O    . HOH   D 3 .   ? -6.502    -20.725   -12.862   1.000 43.72084 ? 1023 HOH   A O    1 
HETATM 1210 O O    . HOH   D 3 .   ? 2.76887   -10.84333 -5.81941  1.000 45.88662 ? 1024 HOH   A O    1 
HETATM 1211 O O    . HOH   D 3 .   ? 10.57169  -29.45724 -15.37779 1.000 42.23460 ? 1025 HOH   A O    1 
HETATM 1212 O O    . HOH   D 3 .   ? -4.69486  -32.64481 -33.32698 1.000 46.22421 ? 1026 HOH   A O    1 
HETATM 1213 O O    . HOH   D 3 .   ? -0.47409  -31.82820 -35.01656 1.000 45.42250 ? 1027 HOH   A O    1 
HETATM 1214 O O    . HOH   D 3 .   ? -12.85628 -31.80328 -7.96588  1.000 56.01740 ? 1028 HOH   A O    1 
HETATM 1215 O O    . HOH   D 3 .   ? -9.53912  -4.83860  -34.16192 1.000 47.00142 ? 1029 HOH   A O    1 
HETATM 1216 O O    . HOH   D 3 .   ? 12.27897  -25.88195 -15.65953 1.000 37.02052 ? 1030 HOH   A O    1 
HETATM 1217 O O    . HOH   D 3 .   ? -21.027   -0.492    -25.913   1.000 47.08932 ? 1031 HOH   A O    1 
HETATM 1218 O O    . HOH   D 3 .   ? -3.94779  -3.55444  -34.33140 1.000 51.28627 ? 1032 HOH   A O    1 
HETATM 1219 O O    . HOH   D 3 .   ? -11.50422 -40.08876 1.09067   1.000 51.30343 ? 1033 HOH   A O    1 
HETATM 1220 O O    . HOH   D 3 .   ? -7.43087  -23.99604 -17.92192 1.000 38.36670 ? 1034 HOH   A O    1 
HETATM 1221 O O    . HOH   D 3 .   ? -15.34465 -31.44991 -28.79991 1.000 33.38533 ? 1035 HOH   A O    1 
HETATM 1222 O O    . HOH   D 3 .   ? -1.19735  -6.31042  -23.35376 1.000 41.65689 ? 1036 HOH   A O    1 
HETATM 1223 O O    . HOH   D 3 .   ? -4.76365  -47.95012 11.05323  1.000 38.09075 ? 1037 HOH   A O    1 
HETATM 1224 O O    . HOH   D 3 .   ? -18.528   -0.425    -25.237   1.000 51.95962 ? 1038 HOH   A O    1 
HETATM 1225 O O    . HOH   D 3 .   ? 5.72911   -9.97710  -22.13367 1.000 44.49573 ? 1039 HOH   A O    1 
HETATM 1226 O O    . HOH   D 3 .   ? -7.28161  -32.84874 -33.81394 1.000 46.07376 ? 1040 HOH   A O    1 
HETATM 1227 O O    . HOH   D 3 .   ? -15.898   -21.850   -40.267   1.000 47.58262 ? 1041 HOH   A O    1 
HETATM 1228 O O    . HOH   D 3 .   ? 7.69231   -14.05472 -17.84358 1.000 41.35289 ? 1042 HOH   A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . LYS A 39  ? 0.87457 0.94156 0.42047 0.09226  -0.09538 0.02652  616 LYS A N   
2    C CA  . LYS A 39  ? 0.78411 0.79532 0.33778 0.07351  -0.11883 -0.00130 616 LYS A CA  
3    C C   . LYS A 39  ? 0.73284 0.74331 0.33767 0.07253  -0.09612 -0.00646 616 LYS A C   
4    O O   . LYS A 39  ? 0.71742 0.70238 0.35990 0.04993  -0.10967 -0.01661 616 LYS A O   
5    C CB  . LYS A 39  ? 0.91502 0.86275 0.39185 0.08235  -0.13697 -0.03466 616 LYS A CB  
6    C CG  . LYS A 39  ? 0.92959 0.81925 0.41422 0.05856  -0.16682 -0.05728 616 LYS A CG  
7    C CD  . LYS A 39  ? 1.05467 0.88333 0.47752 0.06555  -0.18439 -0.08482 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.07222 0.91434 0.44955 0.07343  -0.19217 -0.07990 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.18620 0.96532 0.49212 0.09072  -0.20537 -0.10871 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.68430 0.72792 0.29192 0.09625  -0.06240 0.00397  617 ASN A N   
11   C CA  . ASN A 40  ? 0.63739 0.68141 0.29056 0.09535  -0.04317 0.00054  617 ASN A CA  
12   C C   . ASN A 40  ? 0.56400 0.64096 0.30760 0.06825  -0.04009 0.02372  617 ASN A C   
13   O O   . ASN A 40  ? 0.59029 0.70941 0.36390 0.06345  -0.03564 0.05259  617 ASN A O   
14   C CB  . ASN A 40  ? 0.64797 0.72183 0.27804 0.12932  -0.01088 0.00757  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.59815 0.66968 0.27083 0.12822  0.00499  0.00367  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.67510 0.69654 0.32103 0.13484  -0.00085 -0.02404 617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.55037 0.67165 0.28816 0.11795  0.02113  0.03265  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.46874 0.52303 0.25087 0.05260  -0.04370 0.01136  618 VAL A N   
19   C CA  . VAL A 41  ? 0.39769 0.47075 0.25403 0.03214  -0.04339 0.02512  618 VAL A CA  
20   C C   . VAL A 41  ? 0.38812 0.46666 0.27232 0.03709  -0.02241 0.02509  618 VAL A C   
21   O O   . VAL A 41  ? 0.40004 0.45265 0.26188 0.04475  -0.01708 0.00629  618 VAL A O   
22   C CB  . VAL A 41  ? 0.42719 0.47816 0.30364 0.01146  -0.06509 0.01406  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.39749 0.46507 0.34070 0.00053  -0.05897 0.02236  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.48922 0.54360 0.35001 0.00246  -0.09002 0.02104  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.30551 0.41262 0.23651 0.03173  -0.01462 0.04681  619 VAL A N   
26   C CA  . VAL A 42  ? 0.27804 0.39014 0.23663 0.03279  -0.00037 0.04961  619 VAL A CA  
27   C C   . VAL A 42  ? 0.27310 0.36603 0.26916 0.01972  -0.00638 0.03862  619 VAL A C   
28   O O   . VAL A 42  ? 0.26000 0.35618 0.28679 0.01126  -0.01656 0.04624  619 VAL A O   
29   C CB  . VAL A 42  ? 0.27831 0.42661 0.26342 0.03144  0.00556  0.08141  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.28543 0.43764 0.29708 0.02959  0.01482  0.08563  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.33708 0.51823 0.28546 0.04729  0.01521  0.09789  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.26367 0.33848 0.25499 0.02164  0.00081  0.02212  620 ILE A N   
33   C CA  . ILE A 43  ? 0.24111 0.30303 0.26000 0.01317  -0.00071 0.01224  620 ILE A CA  
34   C C   . ILE A 43  ? 0.23627 0.29970 0.27221 0.01515  0.00865  0.01578  620 ILE A C   
35   O O   . ILE A 43  ? 0.25987 0.32742 0.28077 0.02263  0.01805  0.01758  620 ILE A O   
36   C CB  . ILE A 43  ? 0.25549 0.29468 0.25410 0.00982  -0.00376 -0.00541 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.33343 0.36421 0.30832 0.00440  -0.02025 -0.00850 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.26932 0.30794 0.29808 0.00203  -0.00210 -0.00952 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.30842 0.35946 0.31410 -0.00473 -0.03127 0.00272  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.21309 0.27179 0.27718 0.01090  0.00476  0.01607  621 TYR A N   
41   C CA  . TYR A 44  ? 0.24109 0.29258 0.31562 0.01059  0.00737  0.01688  621 TYR A CA  
42   C C   . TYR A 44  ? 0.26151 0.29850 0.33728 0.01206  0.01107  0.00004  621 TYR A C   
43   O O   . TYR A 44  ? 0.24023 0.27736 0.32642 0.01426  0.00875  -0.00522 621 TYR A O   
44   C CB  . TYR A 44  ? 0.23139 0.27981 0.32782 0.00617  -0.00521 0.03208  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.25511 0.28838 0.35895 0.00204  -0.01079 0.03349  621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.24111 0.29130 0.34597 -0.00267 -0.00734 0.04739  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.25957 0.26230 0.36694 0.00516  -0.02112 0.02155  621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.25172 0.28889 0.36516 -0.01032 -0.01778 0.05144  621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.23615 0.21668 0.34198 0.00043  -0.03191 0.02066  621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.28530 0.28310 0.39639 -0.01039 -0.03221 0.03674  621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.27321 0.24937 0.38451 -0.01870 -0.04811 0.03832  621 TYR A OH  
52   N N   . ALA A 45  ? 0.27001 0.30067 0.33646 0.01262  0.01766  -0.00507 622 ALA A N   
53   C CA  . ALA A 45  ? 0.27088 0.29144 0.33529 0.01414  0.02201  -0.01715 622 ALA A CA  
54   C C   . ALA A 45  ? 0.28199 0.29212 0.34521 0.01396  0.01910  -0.01601 622 ALA A C   
55   O O   . ALA A 45  ? 0.31999 0.33659 0.38010 0.01206  0.02083  -0.00786 622 ALA A O   
56   C CB  . ALA A 45  ? 0.28121 0.30045 0.33097 0.01178  0.02884  -0.02299 622 ALA A CB  
57   N N   . ASP A 46  ? 0.30063 0.29504 0.36392 0.01806  0.01339  -0.02369 623 ASP A N   
58   C CA  . ASP A 46  ? 0.31377 0.29149 0.36980 0.01548  0.00478  -0.02407 623 ASP A CA  
59   C C   . ASP A 46  ? 0.34307 0.31423 0.38049 0.02222  0.01271  -0.03750 623 ASP A C   
60   O O   . ASP A 46  ? 0.29647 0.27897 0.33128 0.02900  0.02478  -0.04385 623 ASP A O   
61   C CB  . ASP A 46  ? 0.30886 0.26042 0.36921 0.01405  -0.01633 -0.02176 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.38023 0.31030 0.43060 0.03079  -0.01873 -0.03822 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.42656 0.36835 0.46714 0.04353  -0.00273 -0.05006 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.37975 0.28195 0.43292 0.03256  -0.03780 -0.03662 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.32729 0.28552 0.35362 0.01863  0.00481  -0.03750 624 GLY A N   
66   C CA  . GLY A 47  ? 0.33353 0.28783 0.33815 0.02470  0.01192  -0.04727 624 GLY A CA  
67   C C   . GLY A 47  ? 0.36927 0.31197 0.36466 0.01715  -0.00091 -0.04275 624 GLY A C   
68   O O   . GLY A 47  ? 0.27988 0.22543 0.29201 0.00607  -0.01358 -0.02862 624 GLY A O   
69   N N   . VAL A 48  ? 0.35712 0.29254 0.32703 0.02300  0.00196  -0.05129 625 VAL A N   
70   C CA  . VAL A 48  ? 0.34772 0.27555 0.30716 0.01526  -0.01071 -0.04557 625 VAL A CA  
71   C C   . VAL A 48  ? 0.33611 0.28961 0.31114 0.01011  0.00105  -0.03069 625 VAL A C   
72   O O   . VAL A 48  ? 0.30511 0.26743 0.29386 0.00267  -0.00859 -0.01614 625 VAL A O   
73   C CB  . VAL A 48  ? 0.37689 0.28599 0.29552 0.02604  -0.01288 -0.06043 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.38683 0.28951 0.29327 0.01631  -0.02837 -0.05274 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.39523 0.26815 0.28847 0.03885  -0.02721 -0.07929 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.31765 0.28289 0.29147 0.01477  0.01979  -0.03212 626 TYR A N   
77   C CA  . TYR A 49  ? 0.30046 0.27547 0.28084 0.01344  0.02759  -0.02144 626 TYR A CA  
78   C C   . TYR A 49  ? 0.31397 0.28709 0.28412 0.01203  0.02049  -0.01369 626 TYR A C   
79   O O   . TYR A 49  ? 0.29739 0.27910 0.27932 0.01354  0.01886  -0.00135 626 TYR A O   
80   C CB  . TYR A 49  ? 0.27472 0.26033 0.27543 0.01473  0.02854  -0.01333 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.30579 0.29284 0.31321 0.01520  0.03350  -0.01967 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.28842 0.27205 0.29037 0.01513  0.04179  -0.02444 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.30821 0.29958 0.32908 0.01295  0.02608  -0.01749 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.31620 0.30401 0.32587 0.01402  0.04306  -0.02798 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.29911 0.29305 0.32628 0.01385  0.02921  -0.02130 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.33287 0.32665 0.35428 0.01498  0.03794  -0.02709 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.34601 0.34513 0.37523 0.01439  0.03788  -0.02864 626 TYR A OH  
88   N N   . ASP A 50  ? 0.30336 0.26748 0.24906 0.01241  0.01639  -0.02035 627 ASP A N   
89   C CA  . ASP A 50  ? 0.34427 0.30616 0.27445 0.01046  0.00831  -0.01278 627 ASP A CA  
90   C C   . ASP A 50  ? 0.36477 0.33206 0.29111 0.01148  0.02132  -0.00368 627 ASP A C   
91   O O   . ASP A 50  ? 0.34615 0.31749 0.26722 0.01176  0.03399  -0.00604 627 ASP A O   
92   C CB  . ASP A 50  ? 0.36969 0.31571 0.26386 0.01357  -0.00169 -0.02536 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.38161 0.31973 0.26005 0.00772  -0.02212 -0.01831 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.38072 0.33146 0.28543 0.00057  -0.03007 -0.00113 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.42258 0.34356 0.25973 0.01258  -0.03099 -0.02944 627 ASP A OD2 
96   N N   . MET A 51  ? 0.32460 0.29305 0.25653 0.01149  0.01605  0.01013  628 MET A N   
97   C CA  . MET A 51  ? 0.33785 0.30118 0.26273 0.01168  0.02196  0.02117  628 MET A CA  
98   C C   . MET A 51  ? 0.33210 0.28759 0.26499 0.01031  0.03252  0.01906  628 MET A C   
99   O O   . MET A 51  ? 0.36990 0.32597 0.29512 0.00297  0.03828  0.02393  628 MET A O   
100  C CB  . MET A 51  ? 0.36718 0.33333 0.26351 0.00798  0.02183  0.02461  628 MET A CB  
101  C CG  . MET A 51  ? 0.39338 0.35934 0.27255 0.00800  0.00527  0.02508  628 MET A CG  
102  S SD  . MET A 51  ? 0.47132 0.44060 0.30603 0.00806  0.00588  0.03042  628 MET A SD  
103  C CE  . MET A 51  ? 0.45969 0.43555 0.27256 0.01683  0.02094  0.01066  628 MET A CE  
104  N N   . LEU A 52  ? 0.34341 0.29466 0.29168 0.01670  0.03317  0.01453  629 LEU A N   
105  C CA  . LEU A 52  ? 0.35010 0.28956 0.30170 0.01496  0.03785  0.00884  629 LEU A CA  
106  C C   . LEU A 52  ? 0.35611 0.27145 0.29784 0.00872  0.03436  0.01816  629 LEU A C   
107  O O   . LEU A 52  ? 0.37740 0.27565 0.31171 0.01500  0.02853  0.02712  629 LEU A O   
108  C CB  . LEU A 52  ? 0.33541 0.27204 0.29497 0.02815  0.03813  0.00425  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.35288 0.27842 0.31113 0.02749  0.03988  -0.00528 629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.37394 0.32267 0.34585 0.02207  0.04317  -0.01136 629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.37813 0.28919 0.32709 0.04748  0.03991  -0.00801 629 LEU A CD2 
112  N N   . HIS A 53  ? 0.34182 0.25564 0.28620 -0.00475 0.03509  0.01925  630 HIS A N   
113  C CA  . HIS A 53  ? 0.35173 0.23970 0.29065 -0.01780 0.02563  0.03286  630 HIS A CA  
114  C C   . HIS A 53  ? 0.38643 0.25948 0.33049 -0.02853 0.01824  0.02880  630 HIS A C   
115  O O   . HIS A 53  ? 0.36483 0.24810 0.31459 -0.02243 0.02242  0.01480  630 HIS A O   
116  C CB  . HIS A 53  ? 0.40398 0.31690 0.34359 -0.03205 0.02979  0.05262  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.41582 0.37426 0.36603 -0.03704 0.04325  0.05322  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.45226 0.42473 0.42048 -0.05004 0.04314  0.05888  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.42194 0.41391 0.36420 -0.02793 0.05583  0.04983  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.45356 0.47265 0.42884 -0.04545 0.05860  0.06012  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.44744 0.47436 0.40269 -0.03023 0.06644  0.05229  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.36584 0.38067 0.26803 -0.01599 0.04302  0.06404  631 LEU A N   
123  C CA  . LEU A 54  ? 0.33266 0.37410 0.30285 -0.02613 0.04622  0.07487  631 LEU A CA  
124  C C   . LEU A 54  ? 0.30578 0.37800 0.27822 -0.00236 0.07047  0.06371  631 LEU A C   
125  O O   . LEU A 54  ? 0.30524 0.37755 0.32044 -0.00577 0.06421  0.05578  631 LEU A O   
126  C CB  . LEU A 54  ? 0.32632 0.40958 0.34542 -0.04913 0.04559  0.12335  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.39298 0.45327 0.47629 -0.07764 0.01214  0.13485  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.38237 0.49276 0.52547 -0.09971 0.00878  0.19247  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.31313 0.35274 0.42408 -0.07485 -0.00049 0.10812  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.35345 0.45217 0.27761 0.02505  0.09764  0.06323  632 GLY A N   
131  C CA  . GLY A 55  ? 0.36077 0.48630 0.28939 0.05437  0.12205  0.05004  632 GLY A CA  
132  C C   . GLY A 55  ? 0.36374 0.44051 0.29532 0.06141  0.10238  0.00927  632 GLY A C   
133  O O   . GLY A 55  ? 0.31851 0.41303 0.29912 0.06289  0.10563  0.00894  632 GLY A O   
134  N N   . HIS A 56  ? 0.37667 0.39450 0.26430 0.06328  0.07783  -0.01827 633 HIS A N   
135  C CA  . HIS A 56  ? 0.36620 0.34496 0.27062 0.06696  0.05609  -0.04435 633 HIS A CA  
136  C C   . HIS A 56  ? 0.31230 0.29614 0.27428 0.04247  0.04507  -0.03192 633 HIS A C   
137  O O   . HIS A 56  ? 0.29621 0.28373 0.29007 0.04669  0.04153  -0.03857 633 HIS A O   
138  C CB  . HIS A 56  ? 0.39668 0.31545 0.26140 0.06823  0.02515  -0.06312 633 HIS A CB  
139  C CG  . HIS A 56  ? 0.45517 0.35089 0.24346 0.09444  0.02380  -0.08314 633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.49331 0.38481 0.22879 0.08903  0.02236  -0.07212 633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.53447 0.40447 0.28307 0.12974  0.01957  -0.11620 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.57044 0.43609 0.22550 0.12155  0.01894  -0.09854 633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.60701 0.46029 0.27808 0.14429  0.01612  -0.12494 633 HIS A NE2 
144  N N   . MET A 57  ? 0.28765 0.26784 0.25877 0.01970  0.03659  -0.01525 634 MET A N   
145  C CA  . MET A 57  ? 0.27473 0.24910 0.28283 0.00500  0.02328  -0.01178 634 MET A CA  
146  C C   . MET A 57  ? 0.27802 0.28525 0.32377 0.00262  0.02871  -0.00401 634 MET A C   
147  O O   . MET A 57  ? 0.24583 0.24781 0.30766 0.00342  0.01858  -0.01171 634 MET A O   
148  C CB  . MET A 57  ? 0.27957 0.24023 0.29234 -0.01384 0.01134  0.00181  634 MET A CB  
149  C CG  . MET A 57  ? 0.33027 0.25790 0.31693 -0.01428 0.00091  -0.00075 634 MET A CG  
150  S SD  . MET A 57  ? 0.36320 0.27842 0.36301 -0.03569 -0.01290 0.02022  634 MET A SD  
151  C CE  . MET A 57  ? 0.36589 0.25019 0.33034 -0.03441 -0.02489 0.02124  634 MET A CE  
152  N N   . LYS A 58  ? 0.24515 0.29106 0.30835 -0.00034 0.04335  0.01747  635 LYS A N   
153  C CA  . LYS A 58  ? 0.22691 0.30784 0.34129 -0.00587 0.04362  0.03414  635 LYS A CA  
154  C C   . LYS A 58  ? 0.25835 0.35076 0.38007 0.01414  0.05392  0.02001  635 LYS A C   
155  O O   . LYS A 58  ? 0.22132 0.32500 0.38120 0.00790  0.04211  0.02551  635 LYS A O   
156  C CB  . LYS A 58  ? 0.22435 0.35799 0.37122 -0.01142 0.06100  0.07343  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.23986 0.36925 0.40685 -0.03785 0.04211  0.09972  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.30978 0.50218 0.49645 -0.03657 0.06936  0.14575  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.36120 0.57884 0.62683 -0.06854 0.04491  0.19560  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.40423 0.68313 0.67996 -0.06208 0.07022  0.24304  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.22885 0.31555 0.31595 0.03880  0.07078  0.00248  636 GLN A N   
162  C CA  . GLN A 59  ? 0.25381 0.34394 0.35515 0.05957  0.07489  -0.01233 636 GLN A CA  
163  C C   . GLN A 59  ? 0.21657 0.27472 0.32410 0.05226  0.04921  -0.02496 636 GLN A C   
164  O O   . GLN A 59  ? 0.22298 0.29449 0.36591 0.05504  0.04354  -0.02228 636 GLN A O   
165  C CB  . GLN A 59  ? 0.34666 0.42477 0.40371 0.09218  0.09042  -0.03424 636 GLN A CB  
166  C CG  . GLN A 59  ? 0.46917 0.58619 0.55174 0.12161  0.11617  -0.03282 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.56724 0.67098 0.58839 0.15788  0.13280  -0.05681 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.57964 0.67179 0.54099 0.16044  0.13732  -0.05906 636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.62482 0.72209 0.65915 0.17819  0.13372  -0.07419 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.22781 0.25044 0.30618 0.04423  0.03483  -0.03240 637 LEU A N   
171  C CA  . LEU A 60  ? 0.24386 0.25179 0.33218 0.03983  0.01717  -0.03266 637 LEU A CA  
172  C C   . LEU A 60  ? 0.25908 0.28258 0.36306 0.02745  0.00967  -0.02313 637 LEU A C   
173  O O   . LEU A 60  ? 0.23437 0.26669 0.35263 0.03006  0.00074  -0.01933 637 LEU A O   
174  C CB  . LEU A 60  ? 0.25127 0.22766 0.31536 0.03621  0.00767  -0.03423 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.25914 0.20779 0.30733 0.04703  -0.00005 -0.04440 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.27524 0.19459 0.30453 0.03839  -0.01210 -0.03940 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.28584 0.22859 0.36574 0.05737  -0.01556 -0.04417 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.22261 0.24605 0.32337 0.01383  0.00709  -0.01780 638 GLU A N   
179  C CA  . GLU A 61  ? 0.22812 0.25236 0.34018 0.00281  -0.01243 -0.01366 638 GLU A CA  
180  C C   . GLU A 61  ? 0.22324 0.27782 0.37374 0.00200  -0.01575 -0.00252 638 GLU A C   
181  O O   . GLU A 61  ? 0.22300 0.27488 0.37199 0.00071  -0.03500 -0.00341 638 GLU A O   
182  C CB  . GLU A 61  ? 0.23950 0.25623 0.36060 -0.01427 -0.02342 -0.00473 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.24947 0.24621 0.37539 -0.02470 -0.05808 -0.00756 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.31202 0.29971 0.46869 -0.04560 -0.07982 0.00814  638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.29809 0.30779 0.47436 -0.05254 -0.06121 0.02829  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.32007 0.27721 0.48111 -0.05450 -0.12005 0.00218  638 GLU A OE2 
187  N N   . GLN A 62  ? 0.19460 0.28080 0.37794 0.00586  0.00358  0.00994  639 GLN A N   
188  C CA  . GLN A 62  ? 0.18803 0.30877 0.42245 0.00691  0.00278  0.02588  639 GLN A CA  
189  C C   . GLN A 62  ? 0.20528 0.32230 0.44023 0.01899  -0.00212 0.01664  639 GLN A C   
190  O O   . GLN A 62  ? 0.17867 0.30801 0.44021 0.01233  -0.02080 0.02776  639 GLN A O   
191  C CB  . GLN A 62  ? 0.22776 0.38885 0.49368 0.01988  0.03427  0.04107  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.35368 0.56122 0.69262 0.01702  0.03410  0.07073  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.35863 0.60663 0.71471 0.04198  0.07318  0.08243  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.41930 0.67399 0.74203 0.05672  0.09981  0.07822  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.45049 0.71642 0.84060 0.04848  0.07446  0.09391  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.21898 0.31903 0.43109 0.03517  0.00909  0.00103  640 ALA A N   
197  C CA  . ALA A 63  ? 0.19392 0.29114 0.41994 0.04391  -0.00118 0.00072  640 ALA A CA  
198  C C   . ALA A 63  ? 0.19439 0.28746 0.40070 0.03428  -0.02038 0.00842  640 ALA A C   
199  O O   . ALA A 63  ? 0.19792 0.30873 0.42688 0.03335  -0.03361 0.02240  640 ALA A O   
200  C CB  . ALA A 63  ? 0.20934 0.27925 0.41940 0.05883  0.00198  -0.01385 640 ALA A CB  
201  N N   . LYS A 64  ? 0.18690 0.25847 0.34815 0.03057  -0.02144 0.00034  641 LYS A N   
202  C CA  . LYS A 64  ? 0.21942 0.28745 0.34708 0.03265  -0.03377 0.00344  641 LYS A CA  
203  C C   . LYS A 64  ? 0.24095 0.31442 0.36452 0.02386  -0.05633 0.00608  641 LYS A C   
204  O O   . LYS A 64  ? 0.25743 0.33766 0.35475 0.03057  -0.06894 0.01219  641 LYS A O   
205  C CB  . LYS A 64  ? 0.22608 0.26705 0.31035 0.03627  -0.02849 -0.00926 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.27392 0.30591 0.30792 0.04818  -0.03727 -0.01454 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.26277 0.32309 0.29283 0.06571  -0.02744 0.00671  641 LYS A CD  
208  C CE  . LYS A 64  ? 0.34783 0.40536 0.31296 0.08903  -0.02722 0.00060  641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.31597 0.41898 0.27944 0.10654  -0.01696 0.03285  641 LYS A NZ  
210  N N   . LYS A 65  ? 0.24940 0.27963 0.31615 -0.00138 -0.02335 0.00457  642 LYS A N   
211  C CA  . LYS A 65  ? 0.27098 0.30316 0.34459 -0.00438 -0.03808 0.00113  642 LYS A CA  
212  C C   . LYS A 65  ? 0.27207 0.32057 0.36380 -0.00324 -0.04270 0.00591  642 LYS A C   
213  O O   . LYS A 65  ? 0.27017 0.32511 0.37558 -0.00752 -0.05564 0.00424  642 LYS A O   
214  C CB  . LYS A 65  ? 0.26584 0.29268 0.35281 -0.01408 -0.04322 -0.00055 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.29562 0.30220 0.36360 -0.01245 -0.04412 -0.00751 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.27455 0.26937 0.35428 -0.02250 -0.05132 -0.00763 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.36360 0.33568 0.42377 -0.01705 -0.05468 -0.01641 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.39486 0.34861 0.46449 -0.02668 -0.06346 -0.01528 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.24893 0.30325 0.34182 0.00303  -0.03433 0.01115  643 LEU A N   
220  C CA  . LEU A 66  ? 0.27477 0.34355 0.38571 0.00745  -0.03964 0.01496  643 LEU A CA  
221  C C   . LEU A 66  ? 0.28614 0.35317 0.38726 0.01050  -0.05626 0.01371  643 LEU A C   
222  O O   . LEU A 66  ? 0.25008 0.33109 0.37091 0.01232  -0.06667 0.01545  643 LEU A O   
223  C CB  . LEU A 66  ? 0.26137 0.32861 0.36977 0.01541  -0.02972 0.01920  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.22394 0.29712 0.34459 0.01424  -0.01504 0.01952  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.23051 0.29394 0.34101 0.02211  -0.00811 0.02114  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.24416 0.34158 0.39699 0.01351  -0.01460 0.02038  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.30708 0.35936 0.37757 0.01198  -0.05890 0.01072  644 PHE A N   
228  C CA  . PHE A 67  ? 0.35934 0.40822 0.41169 0.01498  -0.07422 0.00870  644 PHE A CA  
229  C C   . PHE A 67  ? 0.37325 0.40982 0.40045 0.01331  -0.07636 -0.00074 644 PHE A C   
230  O O   . PHE A 67  ? 0.35632 0.38629 0.37856 0.01175  -0.06507 -0.00388 644 PHE A O   
231  C CB  . PHE A 67  ? 0.34468 0.38933 0.37830 0.02240  -0.07398 0.01706  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.34394 0.39640 0.40056 0.02730  -0.07466 0.02466  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.29829 0.34858 0.36358 0.02908  -0.06038 0.02829  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.32332 0.38510 0.39306 0.03149  -0.09097 0.02684  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.28457 0.34017 0.36998 0.03631  -0.06133 0.03265  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.34969 0.41951 0.44274 0.03896  -0.09209 0.03236  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.32209 0.38808 0.42257 0.04213  -0.07684 0.03463  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.35693 0.39025 0.36684 0.01528  -0.09202 -0.00615 645 GLU A N   
239  C CA  . GLU A 68  ? 0.42154 0.44271 0.40825 0.01572  -0.09698 -0.01882 645 GLU A CA  
240  C C   . GLU A 68  ? 0.41829 0.43450 0.37696 0.02158  -0.08175 -0.01968 645 GLU A C   
241  O O   . GLU A 68  ? 0.43618 0.44461 0.38825 0.02257  -0.07702 -0.02899 645 GLU A O   
242  C CB  . GLU A 68  ? 0.42798 0.44675 0.39735 0.01802  -0.11784 -0.02540 645 GLU A CB  
243  N N   . ASN A 69  ? 0.41365 0.43473 0.35719 0.02535  -0.07472 -0.00946 646 ASN A N   
244  C CA  . ASN A 69  ? 0.44687 0.46882 0.36692 0.02893  -0.05972 -0.00768 646 ASN A CA  
245  C C   . ASN A 69  ? 0.39481 0.42028 0.32819 0.02610  -0.04675 0.00614  646 ASN A C   
246  O O   . ASN A 69  ? 0.40957 0.43528 0.34354 0.02615  -0.05051 0.01734  646 ASN A O   
247  C CB  . ASN A 69  ? 0.46147 0.48515 0.34449 0.03422  -0.06433 -0.00736 646 ASN A CB  
248  C CG  . ASN A 69  ? 0.56228 0.58008 0.42752 0.03846  -0.07849 -0.02387 646 ASN A CG  
249  O OD1 . ASN A 69  ? 0.67118 0.68752 0.52124 0.04017  -0.09420 -0.02456 646 ASN A OD1 
250  N ND2 . ASN A 69  ? 0.54632 0.55862 0.41236 0.04087  -0.07494 -0.03797 646 ASN A ND2 
251  N N   . THR A 70  ? 0.37647 0.40253 0.31963 0.02424  -0.03344 0.00493  647 THR A N   
252  C CA  . THR A 70  ? 0.35799 0.38484 0.31429 0.02105  -0.02305 0.01547  647 THR A CA  
253  C C   . THR A 70  ? 0.34772 0.37891 0.29532 0.02038  -0.00920 0.01607  647 THR A C   
254  O O   . THR A 70  ? 0.35683 0.39125 0.29687 0.02353  -0.00610 0.00630  647 THR A O   
255  C CB  . THR A 70  ? 0.32075 0.34626 0.30608 0.01812  -0.02200 0.01415  647 THR A CB  
256  O OG1 . THR A 70  ? 0.30089 0.32479 0.29045 0.01695  -0.01850 0.00529  647 THR A OG1 
257  C CG2 . THR A 70  ? 0.34713 0.37494 0.34786 0.01817  -0.03444 0.01357  647 THR A CG2 
258  N N   . THR A 71  ? 0.32336 0.35435 0.27447 0.01657  -0.00208 0.02716  648 THR A N   
259  C CA  . THR A 71  ? 0.31044 0.34607 0.26665 0.01337  0.00983  0.02848  648 THR A CA  
260  C C   . THR A 71  ? 0.30595 0.33388 0.28369 0.01062  0.01073  0.02976  648 THR A C   
261  O O   . THR A 71  ? 0.29158 0.31186 0.27468 0.00964  0.00725  0.03683  648 THR A O   
262  C CB  . THR A 71  ? 0.30103 0.34245 0.24396 0.00886  0.01650  0.04059  648 THR A CB  
263  O OG1 . THR A 71  ? 0.34459 0.39636 0.26377 0.01227  0.01742  0.03933  648 THR A OG1 
264  C CG2 . THR A 71  ? 0.35779 0.40696 0.31102 0.00416  0.02714  0.04189  648 THR A CG2 
265  N N   . LEU A 72  ? 0.27330 0.30236 0.26163 0.01061  0.01470  0.02256  649 LEU A N   
266  C CA  . LEU A 72  ? 0.25650 0.27989 0.26042 0.00842  0.01681  0.02303  649 LEU A CA  
267  C C   . LEU A 72  ? 0.26713 0.29174 0.27144 0.00439  0.02365  0.02681  649 LEU A C   
268  O O   . LEU A 72  ? 0.26797 0.30026 0.27174 0.00439  0.02789  0.02322  649 LEU A O   
269  C CB  . LEU A 72  ? 0.22844 0.25101 0.24161 0.00927  0.01577  0.01545  649 LEU A CB  
270  C CG  . LEU A 72  ? 0.25459 0.27362 0.27914 0.00718  0.01968  0.01639  649 LEU A CG  
271  C CD1 . LEU A 72  ? 0.24909 0.26588 0.28082 0.00845  0.01825  0.01998  649 LEU A CD1 
272  C CD2 . LEU A 72  ? 0.23250 0.25062 0.26395 0.00610  0.01892  0.01230  649 LEU A CD2 
273  N N   . ILE A 73  ? 0.26839 0.28492 0.27502 0.00135  0.02313  0.03360  650 ILE A N   
274  C CA  . ILE A 73  ? 0.25803 0.27217 0.26771 -0.00440 0.02662  0.03705  650 ILE A CA  
275  C C   . ILE A 73  ? 0.25003 0.25589 0.26843 -0.00300 0.02630  0.03138  650 ILE A C   
276  O O   . ILE A 73  ? 0.26246 0.26009 0.28453 0.00096  0.02355  0.03010  650 ILE A O   
277  C CB  . ILE A 73  ? 0.25910 0.26398 0.26421 -0.00953 0.02398  0.04800  650 ILE A CB  
278  C CG1 . ILE A 73  ? 0.27035 0.28462 0.26219 -0.01133 0.02508  0.05581  650 ILE A CG1 
279  C CG2 . ILE A 73  ? 0.26130 0.26241 0.27201 -0.01767 0.02548  0.05100  650 ILE A CG2 
280  C CD1 . ILE A 73  ? 0.29879 0.30064 0.28395 -0.01762 0.02102  0.07006  650 ILE A CD1 
281  N N   . VAL A 74  ? 0.25227 0.26205 0.27356 -0.00529 0.02903  0.02783  651 VAL A N   
282  C CA  . VAL A 74  ? 0.25699 0.25976 0.28136 -0.00411 0.02891  0.02258  651 VAL A CA  
283  C C   . VAL A 74  ? 0.29289 0.28784 0.31755 -0.00961 0.02686  0.02396  651 VAL A C   
284  O O   . VAL A 74  ? 0.27443 0.27748 0.30163 -0.01546 0.02713  0.02704  651 VAL A O   
285  C CB  . VAL A 74  ? 0.25783 0.26763 0.28296 -0.00244 0.03048  0.01792  651 VAL A CB  
286  C CG1 . VAL A 74  ? 0.27003 0.27301 0.29351 -0.00224 0.03050  0.01440  651 VAL A CG1 
287  C CG2 . VAL A 74  ? 0.27205 0.28494 0.29793 0.00129  0.03014  0.01621  651 VAL A CG2 
288  N N   . GLY A 75  ? 0.28538 0.26567 0.30859 -0.00743 0.02433  0.02078  652 GLY A N   
289  C CA  . GLY A 75  ? 0.30013 0.26794 0.32206 -0.01237 0.01967  0.01941  652 GLY A CA  
290  C C   . GLY A 75  ? 0.28966 0.25712 0.30704 -0.01020 0.01982  0.01126  652 GLY A C   
291  O O   . GLY A 75  ? 0.27584 0.24420 0.28919 -0.00320 0.02359  0.00641  652 GLY A O   
292  N N   . VAL A 76  ? 0.25989 0.22774 0.27813 -0.01696 0.01536  0.01082  653 VAL A N   
293  C CA  . VAL A 76  ? 0.27089 0.23862 0.28225 -0.01566 0.01311  0.00422  653 VAL A CA  
294  C C   . VAL A 76  ? 0.31356 0.26299 0.31931 -0.01909 0.00452  -0.00145 653 VAL A C   
295  O O   . VAL A 76  ? 0.29868 0.24499 0.31266 -0.02862 -0.00193 0.00250  653 VAL A O   
296  C CB  . VAL A 76  ? 0.28285 0.26808 0.30120 -0.01919 0.01222  0.00720  653 VAL A CB  
297  C CG1 . VAL A 76  ? 0.29327 0.27674 0.30234 -0.01710 0.00793  0.00196  653 VAL A CG1 
298  C CG2 . VAL A 76  ? 0.28542 0.28439 0.30833 -0.01492 0.01891  0.01092  653 VAL A CG2 
299  N N   . THR A 77  ? 0.30951 0.24728 0.30095 -0.01182 0.00424  -0.01082 654 THR A N   
300  C CA  . THR A 77  ? 0.29829 0.21348 0.28116 -0.01232 -0.00491 -0.01941 654 THR A CA  
301  C C   . THR A 77  ? 0.33380 0.24814 0.31493 -0.02095 -0.01552 -0.02176 654 THR A C   
302  O O   . THR A 77  ? 0.32107 0.25142 0.30165 -0.02182 -0.01480 -0.01978 654 THR A O   
303  C CB  . THR A 77  ? 0.32682 0.23289 0.29261 0.00039  -0.00075 -0.03090 654 THR A CB  
304  O OG1 . THR A 77  ? 0.36359 0.28414 0.31857 0.00326  0.00500  -0.03169 654 THR A OG1 
305  C CG2 . THR A 77  ? 0.32605 0.23325 0.29842 0.00943  0.00728  -0.02968 654 THR A CG2 
306  N N   . SER A 78  ? 0.33926 0.23301 0.32001 -0.02715 -0.02738 -0.02623 655 SER A N   
307  C CA  . SER A 78  ? 0.38286 0.27610 0.36518 -0.03711 -0.04026 -0.02866 655 SER A CA  
308  C C   . SER A 78  ? 0.41056 0.29855 0.36907 -0.02920 -0.04395 -0.04092 655 SER A C   
309  O O   . SER A 78  ? 0.41355 0.29230 0.35265 -0.01688 -0.03757 -0.04961 655 SER A O   
310  C CB  . SER A 78  ? 0.43083 0.30020 0.41957 -0.04799 -0.05413 -0.02993 655 SER A CB  
311  O OG  . SER A 78  ? 0.45292 0.29113 0.42192 -0.03879 -0.05991 -0.04430 655 SER A OG  
312  N N   . ASP A 79  ? 0.40295 0.29936 0.36315 -0.03626 -0.05445 -0.04114 656 ASP A N   
313  C CA  . ASP A 79  ? 0.43521 0.32544 0.36928 -0.03001 -0.06076 -0.05172 656 ASP A CA  
314  C C   . ASP A 79  ? 0.48931 0.34861 0.40118 -0.02536 -0.06908 -0.06784 656 ASP A C   
315  O O   . ASP A 79  ? 0.49297 0.34527 0.37773 -0.01253 -0.06289 -0.07772 656 ASP A O   
316  C CB  . ASP A 79  ? 0.46886 0.37222 0.41172 -0.03904 -0.07476 -0.04906 656 ASP A CB  
317  C CG  . ASP A 79  ? 0.48097 0.41351 0.43957 -0.03804 -0.06699 -0.03677 656 ASP A CG  
318  O OD1 . ASP A 79  ? 0.42999 0.36820 0.38063 -0.02893 -0.05287 -0.03290 656 ASP A OD1 
319  O OD2 . ASP A 79  ? 0.55290 0.50303 0.53335 -0.04611 -0.07570 -0.03144 656 ASP A OD2 
320  N N   . ASN A 80  ? 0.48105 0.32144 0.40423 -0.03559 -0.08294 -0.07069 657 ASN A N   
321  C CA  . ASN A 80  ? 0.55611 0.36205 0.45739 -0.03111 -0.09529 -0.08854 657 ASN A CA  
322  C C   . ASN A 80  ? 0.53763 0.32927 0.42594 -0.01485 -0.08290 -0.09624 657 ASN A C   
323  O O   . ASN A 80  ? 0.55223 0.32750 0.41193 -0.00146 -0.08390 -0.11349 657 ASN A O   
324  C CB  . ASN A 80  ? 0.58633 0.37228 0.50611 -0.04803 -0.11448 -0.08778 657 ASN A CB  
325  C CG  . ASN A 80  ? 0.69445 0.49435 0.62561 -0.06298 -0.13026 -0.08474 657 ASN A CG  
326  O OD1 . ASN A 80  ? 0.72069 0.53741 0.63864 -0.05794 -0.13046 -0.08712 657 ASN A OD1 
327  N ND2 . ASN A 80  ? 0.67957 0.47338 0.63641 -0.08195 -0.14435 -0.07832 657 ASN A ND2 
328  N N   . GLU A 81  ? 0.51611 0.31559 0.42471 -0.01461 -0.07131 -0.08436 658 GLU A N   
329  C CA  . GLU A 81  ? 0.50919 0.29807 0.40985 0.00169  -0.06104 -0.09142 658 GLU A CA  
330  C C   . GLU A 81  ? 0.49690 0.30877 0.38160 0.01582  -0.04344 -0.09427 658 GLU A C   
331  O O   . GLU A 81  ? 0.54331 0.34737 0.41033 0.03180  -0.03749 -0.10791 658 GLU A O   
332  C CB  . GLU A 81  ? 0.49991 0.29054 0.42569 -0.00232 -0.05597 -0.07711 658 GLU A CB  
333  C CG  . GLU A 81  ? 0.47722 0.23456 0.41226 -0.01193 -0.07284 -0.07676 658 GLU A CG  
334  C CD  . GLU A 81  ? 0.50890 0.27210 0.46719 -0.02034 -0.06875 -0.05777 658 GLU A CD  
335  O OE1 . GLU A 81  ? 0.49672 0.29184 0.46825 -0.02754 -0.05856 -0.04348 658 GLU A OE1 
336  O OE2 . GLU A 81  ? 0.53837 0.27305 0.49982 -0.01889 -0.07641 -0.05736 658 GLU A OE2 
337  N N   . THR A 82  ? 0.46688 0.30740 0.35795 0.01030  -0.03509 -0.08149 659 THR A N   
338  C CA  . THR A 82  ? 0.50363 0.36405 0.37917 0.02036  -0.01996 -0.08168 659 THR A CA  
339  C C   . THR A 82  ? 0.52386 0.37490 0.36507 0.02788  -0.02407 -0.09681 659 THR A C   
340  O O   . THR A 82  ? 0.51475 0.37137 0.33748 0.04129  -0.01170 -0.10464 659 THR A O   
341  C CB  . THR A 82  ? 0.44935 0.33524 0.33667 0.01211  -0.01460 -0.06548 659 THR A CB  
342  O OG1 . THR A 82  ? 0.39921 0.29386 0.31465 0.00634  -0.01078 -0.05340 659 THR A OG1 
343  C CG2 . THR A 82  ? 0.43197 0.33567 0.30480 0.01981  0.00024  -0.06267 659 THR A CG2 
344  N N   . LYS A 83  ? 0.53982 0.37912 0.37194 0.01940  -0.04138 -0.10109 660 LYS A N   
345  C CA  . LYS A 83  ? 0.54532 0.37284 0.34051 0.02648  -0.04830 -0.11688 660 LYS A CA  
346  C C   . LYS A 83  ? 0.60037 0.40357 0.37829 0.04066  -0.04892 -0.13739 660 LYS A C   
347  O O   . LYS A 83  ? 0.60689 0.41200 0.35368 0.05493  -0.04035 -0.14983 660 LYS A O   
348  C CB  . LYS A 83  ? 0.58531 0.40243 0.37852 0.01379  -0.07102 -0.11875 660 LYS A CB  
349  C CG  . LYS A 83  ? 0.62257 0.46399 0.43053 0.00314  -0.07278 -0.10152 660 LYS A CG  
350  C CD  . LYS A 83  ? 0.70663 0.54031 0.51814 -0.00890 -0.09699 -0.10464 660 LYS A CD  
351  C CE  . LYS A 83  ? 0.73447 0.59394 0.56083 -0.01599 -0.09974 -0.08923 660 LYS A CE  
352  N NZ  . LYS A 83  ? 0.79518 0.66729 0.59700 -0.00627 -0.08704 -0.08350 660 LYS A NZ  
353  N N   . LEU A 84  ? 0.61383 0.39367 0.41080 0.03757  -0.05912 -0.14108 661 LEU A N   
354  C CA  . LEU A 84  ? 0.64348 0.39338 0.42452 0.05210  -0.06421 -0.16246 661 LEU A CA  
355  C C   . LEU A 84  ? 0.62262 0.38748 0.40190 0.07146  -0.04245 -0.16620 661 LEU A C   
356  O O   . LEU A 84  ? 0.68163 0.43818 0.43440 0.08976  -0.03844 -0.18622 661 LEU A O   
357  C CB  . LEU A 84  ? 0.68273 0.40151 0.48691 0.04242  -0.08161 -0.16181 661 LEU A CB  
358  C CG  . LEU A 84  ? 0.77412 0.45727 0.56754 0.05903  -0.08784 -0.18230 661 LEU A CG  
359  C CD1 . LEU A 84  ? 0.77454 0.43523 0.52846 0.06957  -0.09918 -0.20834 661 LEU A CD1 
360  C CD2 . LEU A 84  ? 0.78041 0.43171 0.59919 0.04673  -0.10510 -0.17598 661 LEU A CD2 
361  N N   . PHE A 85  ? 0.59515 0.38376 0.40294 0.06827  -0.02865 -0.14810 662 PHE A N   
362  C CA  . PHE A 85  ? 0.62167 0.42534 0.43771 0.08451  -0.01095 -0.14984 662 PHE A CA  
363  C C   . PHE A 85  ? 0.62907 0.47140 0.43694 0.08924  0.01071  -0.14307 662 PHE A C   
364  O O   . PHE A 85  ? 0.71004 0.56634 0.51256 0.10616  0.02547  -0.15199 662 PHE A O   
365  C CB  . PHE A 85  ? 0.58940 0.39368 0.44126 0.07831  -0.01122 -0.13468 662 PHE A CB  
366  C CG  . PHE A 85  ? 0.60758 0.37245 0.46775 0.07499  -0.03081 -0.13966 662 PHE A CG  
367  C CD1 . PHE A 85  ? 0.68833 0.42144 0.53238 0.09040  -0.04000 -0.16152 662 PHE A CD1 
368  C CD2 . PHE A 85  ? 0.62840 0.38735 0.51141 0.05611  -0.04033 -0.12226 662 PHE A CD2 
369  C CE1 . PHE A 85  ? 0.75522 0.44691 0.60680 0.08592  -0.06027 -0.16487 662 PHE A CE1 
370  C CE2 . PHE A 85  ? 0.60795 0.33010 0.49839 0.05028  -0.05847 -0.12379 662 PHE A CE2 
371  C CZ  . PHE A 85  ? 0.72090 0.40720 0.59605 0.06446  -0.06947 -0.14451 662 PHE A CZ  
372  N N   . LYS A 86  ? 0.58647 0.44676 0.39408 0.07501  0.01269  -0.12739 663 LYS A N   
373  C CA  . LYS A 86  ? 0.56472 0.45650 0.36103 0.07734  0.03087  -0.11968 663 LYS A CA  
374  C C   . LYS A 86  ? 0.61726 0.50714 0.37408 0.07813  0.02819  -0.12668 663 LYS A C   
375  O O   . LYS A 86  ? 0.65524 0.56777 0.39367 0.08378  0.04441  -0.12440 663 LYS A O   
376  C CB  . LYS A 86  ? 0.56822 0.48042 0.38958 0.06305  0.03557  -0.09664 663 LYS A CB  
377  C CG  . LYS A 86  ? 0.59153 0.51231 0.44622 0.06478  0.04203  -0.08985 663 LYS A CG  
378  C CD  . LYS A 86  ? 0.64513 0.59084 0.51837 0.05531  0.05130  -0.07071 663 LYS A CD  
379  C CE  . LYS A 86  ? 0.63877 0.59612 0.54112 0.05948  0.05839  -0.06627 663 LYS A CE  
380  N NZ  . LYS A 86  ? 0.67761 0.64861 0.57802 0.07539  0.07132  -0.07665 663 LYS A NZ  
381  N N   . GLY A 87  ? 0.62403 0.48846 0.36710 0.07206  0.00770  -0.13450 664 GLY A N   
382  C CA  . GLY A 87  ? 0.61966 0.47809 0.32203 0.07388  0.00097  -0.14366 664 GLY A CA  
383  C C   . GLY A 87  ? 0.62717 0.49173 0.32754 0.05856  -0.00908 -0.12809 664 GLY A C   
384  O O   . GLY A 87  ? 0.64383 0.49819 0.31236 0.05808  -0.02153 -0.13568 664 GLY A O   
385  N N   . GLN A 88  ? 0.59539 0.47551 0.32766 0.04741  -0.00555 -0.10781 665 GLN A N   
386  C CA  . GLN A 88  ? 0.58278 0.47049 0.31483 0.03598  -0.01423 -0.09320 665 GLN A CA  
387  C C   . GLN A 88  ? 0.53958 0.44045 0.31201 0.02663  -0.01081 -0.07560 665 GLN A C   
388  O O   . GLN A 88  ? 0.54389 0.45161 0.33880 0.02891  0.00107  -0.07256 665 GLN A O   
389  C CB  . GLN A 88  ? 0.57799 0.47988 0.27711 0.03928  -0.00402 -0.08614 665 GLN A CB  
390  C CG  . GLN A 88  ? 0.56489 0.49017 0.27646 0.04051  0.01881  -0.07220 665 GLN A CG  
391  C CD  . GLN A 88  ? 0.61282 0.54486 0.32302 0.05321  0.03585  -0.08427 665 GLN A CD  
392  O OE1 . GLN A 88  ? 0.67409 0.60324 0.35134 0.06424  0.03992  -0.09912 665 GLN A OE1 
393  N NE2 . GLN A 88  ? 0.62484 0.56699 0.37049 0.05301  0.04529  -0.07871 665 GLN A NE2 
394  N N   . VAL A 89  ? 0.49456 0.39948 0.27509 0.01742  -0.02220 -0.06499 666 VAL A N   
395  C CA  . VAL A 89  ? 0.48546 0.40465 0.29833 0.01065  -0.01862 -0.04894 666 VAL A CA  
396  C C   . VAL A 89  ? 0.50345 0.42725 0.31183 0.00581  -0.03054 -0.03965 666 VAL A C   
397  O O   . VAL A 89  ? 0.52182 0.43756 0.31900 0.00363  -0.04741 -0.04601 666 VAL A O   
398  C CB  . VAL A 89  ? 0.49454 0.41076 0.34134 0.00510  -0.02338 -0.04989 666 VAL A CB  
399  C CG1 . VAL A 89  ? 0.54426 0.45254 0.39661 -0.00268 -0.04353 -0.05438 666 VAL A CG1 
400  C CG2 . VAL A 89  ? 0.44455 0.37684 0.31989 0.00143  -0.01541 -0.03575 666 VAL A CG2 
401  N N   . VAL A 90  ? 0.44853 0.38394 0.26640 0.00450  -0.02365 -0.02499 667 VAL A N   
402  C CA  . VAL A 90  ? 0.44339 0.38103 0.25616 0.00241  -0.03536 -0.01528 667 VAL A CA  
403  C C   . VAL A 90  ? 0.43533 0.38060 0.28300 -0.00167 -0.04616 -0.01218 667 VAL A C   
404  O O   . VAL A 90  ? 0.39829 0.34436 0.24730 -0.00330 -0.06308 -0.01324 667 VAL A O   
405  C CB  . VAL A 90  ? 0.43681 0.37884 0.23974 0.00318  -0.02461 -0.00062 667 VAL A CB  
406  C CG1 . VAL A 90  ? 0.47701 0.41639 0.27287 0.00245  -0.03925 0.00987  667 VAL A CG1 
407  C CG2 . VAL A 90  ? 0.44907 0.39057 0.21956 0.00640  -0.01084 -0.00231 667 VAL A CG2 
408  N N   . GLN A 91  ? 0.38918 0.34277 0.26554 -0.00288 -0.03663 -0.00844 668 GLN A N   
409  C CA  . GLN A 91  ? 0.37727 0.34278 0.28603 -0.00536 -0.04306 -0.00522 668 GLN A CA  
410  C C   . GLN A 91  ? 0.36713 0.33496 0.29511 -0.01094 -0.04517 -0.01255 668 GLN A C   
411  O O   . GLN A 91  ? 0.37011 0.32889 0.29294 -0.01148 -0.03782 -0.01819 668 GLN A O   
412  C CB  . GLN A 91  ? 0.34768 0.32038 0.27304 -0.00307 -0.03243 0.00312  668 GLN A CB  
413  C CG  . GLN A 91  ? 0.37556 0.34435 0.28932 0.00058  -0.03528 0.01267  668 GLN A CG  
414  C CD  . GLN A 91  ? 0.40150 0.37289 0.33114 0.00239  -0.02730 0.01898  668 GLN A CD  
415  O OE1 . GLN A 91  ? 0.35974 0.32976 0.28875 0.00077  -0.01479 0.01997  668 GLN A OE1 
416  N NE2 . GLN A 91  ? 0.37642 0.35183 0.32121 0.00667  -0.03575 0.02212  668 GLN A NE2 
417  N N   . THR A 92  ? 0.35232 0.33280 0.30353 -0.01517 -0.05601 -0.01174 669 THR A N   
418  C CA  . THR A 92  ? 0.31055 0.29491 0.28261 -0.02363 -0.05877 -0.01532 669 THR A CA  
419  C C   . THR A 92  ? 0.31680 0.30767 0.30635 -0.02428 -0.04405 -0.01077 669 THR A C   
420  O O   . THR A 92  ? 0.30964 0.30615 0.30084 -0.01828 -0.03412 -0.00569 669 THR A O   
421  C CB  . THR A 92  ? 0.36799 0.37171 0.36523 -0.02901 -0.07233 -0.01350 669 THR A CB  
422  O OG1 . THR A 92  ? 0.31084 0.33517 0.32824 -0.02347 -0.06647 -0.00630 669 THR A OG1 
423  C CG2 . THR A 92  ? 0.40443 0.40255 0.38446 -0.02778 -0.08967 -0.01749 669 THR A CG2 
424  N N   . LEU A 93  ? 0.33796 0.32655 0.34019 -0.03243 -0.04448 -0.01208 670 LEU A N   
425  C CA  . LEU A 93  ? 0.32543 0.32113 0.34301 -0.03389 -0.03248 -0.00629 670 LEU A CA  
426  C C   . LEU A 93  ? 0.27691 0.29867 0.31506 -0.03167 -0.02807 0.00036  670 LEU A C   
427  O O   . LEU A 93  ? 0.27717 0.30313 0.31620 -0.02603 -0.01722 0.00352  670 LEU A O   
428  C CB  . LEU A 93  ? 0.33652 0.32545 0.36524 -0.04508 -0.03649 -0.00582 670 LEU A CB  
429  C CG  . LEU A 93  ? 0.32007 0.31555 0.36177 -0.04783 -0.02549 0.00219  670 LEU A CG  
430  C CD1 . LEU A 93  ? 0.31547 0.29496 0.34100 -0.03894 -0.01616 0.00019  670 LEU A CD1 
431  C CD2 . LEU A 93  ? 0.29752 0.28867 0.35296 -0.06195 -0.03166 0.00656  670 LEU A CD2 
432  N N   . GLU A 94  ? 0.29991 0.33985 0.35471 -0.03470 -0.03737 0.00120  671 GLU A N   
433  C CA  . GLU A 94  ? 0.27764 0.34480 0.35347 -0.02968 -0.03341 0.00525  671 GLU A CA  
434  C C   . GLU A 94  ? 0.27864 0.34005 0.34167 -0.01657 -0.02958 0.00486  671 GLU A C   
435  O O   . GLU A 94  ? 0.27685 0.34734 0.34682 -0.01058 -0.02048 0.00652  671 GLU A O   
436  C CB  . GLU A 94  ? 0.28279 0.37210 0.38028 -0.03354 -0.04602 0.00518  671 GLU A CB  
437  C CG  . GLU A 94  ? 0.37503 0.47169 0.49000 -0.04991 -0.05115 0.00727  671 GLU A CG  
438  C CD  . GLU A 94  ? 0.46582 0.53013 0.55995 -0.05798 -0.06101 0.00197  671 GLU A CD  
439  O OE1 . GLU A 94  ? 0.41433 0.45886 0.48357 -0.05165 -0.06857 -0.00463 671 GLU A OE1 
440  O OE2 . GLU A 94  ? 0.53090 0.58852 0.63233 -0.07051 -0.06138 0.00445  671 GLU A OE2 
441  N N   . GLU A 95  ? 0.26195 0.30687 0.30454 -0.01261 -0.03722 0.00302  672 GLU A N   
442  C CA  . GLU A 95  ? 0.25925 0.29529 0.28906 -0.00287 -0.03508 0.00524  672 GLU A CA  
443  C C   . GLU A 95  ? 0.28125 0.30558 0.30082 -0.00199 -0.02183 0.00647  672 GLU A C   
444  O O   . GLU A 95  ? 0.28255 0.30750 0.30514 0.00399  -0.01738 0.00844  672 GLU A O   
445  C CB  . GLU A 95  ? 0.27858 0.29908 0.28478 -0.00121 -0.04547 0.00554  672 GLU A CB  
446  C CG  . GLU A 95  ? 0.33663 0.36830 0.35223 0.00014  -0.06187 0.00499  672 GLU A CG  
447  C CD  . GLU A 95  ? 0.39514 0.41000 0.38189 -0.00012 -0.07330 0.00469  672 GLU A CD  
448  O OE1 . GLU A 95  ? 0.38961 0.38706 0.35044 -0.00274 -0.06680 0.00303  672 GLU A OE1 
449  O OE2 . GLU A 95  ? 0.39021 0.41082 0.37976 0.00327  -0.08883 0.00586  672 GLU A OE2 
450  N N   . ARG A 96  ? 0.26909 0.28194 0.27718 -0.00714 -0.01692 0.00448  673 ARG A N   
451  C CA  . ARG A 96  ? 0.27248 0.27716 0.27351 -0.00564 -0.00566 0.00566  673 ARG A CA  
452  C C   . ARG A 96  ? 0.26654 0.28251 0.28457 -0.00555 0.00114  0.00709  673 ARG A C   
453  O O   . ARG A 96  ? 0.27294 0.28700 0.29006 -0.00204 0.00711  0.00859  673 ARG A O   
454  C CB  . ARG A 96  ? 0.26229 0.25413 0.24949 -0.00843 -0.00279 0.00171  673 ARG A CB  
455  C CG  . ARG A 96  ? 0.29007 0.27143 0.25439 -0.00708 -0.00811 -0.00094 673 ARG A CG  
456  C CD  . ARG A 96  ? 0.33391 0.30290 0.28250 -0.00663 -0.00458 -0.00797 673 ARG A CD  
457  N NE  . ARG A 96  ? 0.31213 0.27421 0.26288 -0.01114 -0.01394 -0.01478 673 ARG A NE  
458  C CZ  . ARG A 96  ? 0.33916 0.29353 0.29686 -0.01331 -0.01253 -0.01834 673 ARG A CZ  
459  N NH1 . ARG A 96  ? 0.29495 0.24982 0.25863 -0.01016 -0.00214 -0.01606 673 ARG A NH1 
460  N NH2 . ARG A 96  ? 0.33066 0.27499 0.28965 -0.01922 -0.02370 -0.02389 673 ARG A NH2 
461  N N   . THR A 97  ? 0.25450 0.28295 0.28739 -0.01032 -0.00020 0.00716  674 THR A N   
462  C CA  . THR A 97  ? 0.24284 0.28455 0.28833 -0.01057 0.00704  0.00955  674 THR A CA  
463  C C   . THR A 97  ? 0.24513 0.30137 0.29960 -0.00224 0.00759  0.00861  674 THR A C   
464  O O   . THR A 97  ? 0.23969 0.29738 0.29323 0.00250  0.01350  0.00806  674 THR A O   
465  C CB  . THR A 97  ? 0.26637 0.31856 0.32475 -0.02017 0.00596  0.01229  674 THR A CB  
466  O OG1 . THR A 97  ? 0.30474 0.33707 0.35327 -0.02621 0.00369  0.01168  674 THR A OG1 
467  C CG2 . THR A 97  ? 0.24985 0.31868 0.31816 -0.02131 0.01462  0.01675  674 THR A CG2 
468  N N   . GLU A 98  ? 0.24489 0.31121 0.30803 0.00081  -0.00004 0.00733  675 GLU A N   
469  C CA  . GLU A 98  ? 0.24715 0.32593 0.32004 0.01172  -0.00102 0.00472  675 GLU A CA  
470  C C   . GLU A 98  ? 0.26504 0.32335 0.32371 0.01897  -0.00162 0.00370  675 GLU A C   
471  O O   . GLU A 98  ? 0.28312 0.34509 0.34589 0.02768  0.00012  0.00007  675 GLU A O   
472  C CB  . GLU A 98  ? 0.27372 0.36556 0.35945 0.01499  -0.01174 0.00377  675 GLU A CB  
473  C CG  . GLU A 98  ? 0.32531 0.43203 0.42481 0.02914  -0.01398 -0.00038 675 GLU A CG  
474  C CD  . GLU A 98  ? 0.38587 0.51292 0.50474 0.03300  -0.02473 -0.00122 675 GLU A CD  
475  O OE1 . GLU A 98  ? 0.38238 0.50772 0.50042 0.02377  -0.03266 0.00159  675 GLU A OE1 
476  O OE2 . GLU A 98  ? 0.38358 0.52877 0.51901 0.04634  -0.02625 -0.00579 675 GLU A OE2 
477  N N   . THR A 99  ? 0.22425 0.26140 0.26610 0.01523  -0.00409 0.00667  676 THR A N   
478  C CA  . THR A 99  ? 0.27431 0.29348 0.30523 0.01872  -0.00437 0.00820  676 THR A CA  
479  C C   . THR A 99  ? 0.25296 0.27047 0.28339 0.01726  0.00405  0.00697  676 THR A C   
480  O O   . THR A 99  ? 0.26530 0.27639 0.29593 0.02237  0.00279  0.00491  676 THR A O   
481  C CB  . THR A 99  ? 0.33013 0.33256 0.34337 0.01386  -0.00689 0.01338  676 THR A CB  
482  O OG1 . THR A 99  ? 0.31528 0.31795 0.32565 0.01577  -0.01702 0.01463  676 THR A OG1 
483  C CG2 . THR A 99  ? 0.29730 0.28302 0.30209 0.01442  -0.00714 0.01781  676 THR A CG2 
484  N N   . LEU A 100 ? 0.24741 0.26898 0.27714 0.01082  0.01066  0.00773  677 LEU A N   
485  C CA  . LEU A 100 ? 0.25229 0.27309 0.28143 0.00984  0.01674  0.00729  677 LEU A CA  
486  C C   . LEU A 100 ? 0.25810 0.29136 0.29409 0.01543  0.01852  0.00332  677 LEU A C   
487  O O   . LEU A 100 ? 0.26088 0.29028 0.29352 0.01757  0.01984  0.00125  677 LEU A O   
488  C CB  . LEU A 100 ? 0.27542 0.29667 0.30301 0.00346  0.02128  0.00931  677 LEU A CB  
489  C CG  . LEU A 100 ? 0.28035 0.28952 0.29880 0.00075  0.02231  0.01069  677 LEU A CG  
490  C CD1 . LEU A 100 ? 0.27136 0.27846 0.28863 -0.00307 0.02369  0.01015  677 LEU A CD1 
491  C CD2 . LEU A 100 ? 0.28648 0.29173 0.30444 0.00140  0.02545  0.01181  677 LEU A CD2 
492  N N   . LYS A 101 ? 0.23705 0.28754 0.28268 0.01795  0.01857  0.00179  678 LYS A N   
493  C CA  . LYS A 101 ? 0.26620 0.33388 0.31753 0.02483  0.02251  -0.00276 678 LYS A CA  
494  C C   . LYS A 101 ? 0.27182 0.32928 0.31906 0.03573  0.01792  -0.00999 678 LYS A C   
495  O O   . LYS A 101 ? 0.27129 0.33580 0.31583 0.04223  0.02111  -0.01594 678 LYS A O   
496  C CB  . LYS A 101 ? 0.26608 0.35826 0.33292 0.02604  0.02317  -0.00285 678 LYS A CB  
497  C CG  . LYS A 101 ? 0.31457 0.43153 0.38929 0.03531  0.02909  -0.00839 678 LYS A CG  
498  C CD  . LYS A 101 ? 0.30390 0.44945 0.39963 0.03655  0.02910  -0.00800 678 LYS A CD  
499  C CE  . LYS A 101 ? 0.33877 0.47819 0.44156 0.04716  0.01783  -0.01299 678 LYS A CE  
500  N NZ  . LYS A 101 ? 0.29840 0.47199 0.42609 0.05160  0.01726  -0.01433 678 LYS A NZ  
501  N N   . HIS A 102 ? 0.23339 0.27277 0.27837 0.03783  0.00953  -0.00953 679 HIS A N   
502  C CA  . HIS A 102 ? 0.25218 0.27567 0.29401 0.04716  0.00203  -0.01545 679 HIS A CA  
503  C C   . HIS A 102 ? 0.26868 0.27198 0.30087 0.04169  0.00035  -0.01427 679 HIS A C   
504  O O   . HIS A 102 ? 0.28846 0.27427 0.31778 0.04710  -0.00767 -0.01897 679 HIS A O   
505  C CB  . HIS A 102 ? 0.24562 0.25679 0.28934 0.05099  -0.00817 -0.01290 679 HIS A CB  
506  C CG  . HIS A 102 ? 0.25859 0.29097 0.31584 0.05916  -0.00989 -0.01586 679 HIS A CG  
507  N ND1 . HIS A 102 ? 0.28514 0.32672 0.35183 0.07489  -0.01314 -0.02554 679 HIS A ND1 
508  C CD2 . HIS A 102 ? 0.24312 0.29157 0.30808 0.05408  -0.00935 -0.01130 679 HIS A CD2 
509  C CE1 . HIS A 102 ? 0.26077 0.32676 0.34323 0.07912  -0.01375 -0.02578 679 HIS A CE1 
510  N NE2 . HIS A 102 ? 0.24282 0.31280 0.32460 0.06549  -0.01220 -0.01688 679 HIS A NE2 
511  N N   . ILE A 103 ? 0.27323 0.27833 0.30223 0.03152  0.00633  -0.00859 680 ILE A N   
512  C CA  . ILE A 103 ? 0.26539 0.25621 0.29013 0.02542  0.00436  -0.00635 680 ILE A CA  
513  C C   . ILE A 103 ? 0.27819 0.27363 0.29990 0.02854  0.00519  -0.01293 680 ILE A C   
514  O O   . ILE A 103 ? 0.26585 0.27723 0.28627 0.02876  0.01201  -0.01306 680 ILE A O   
515  C CB  . ILE A 103 ? 0.27606 0.26832 0.30040 0.01543  0.00983  0.00202  680 ILE A CB  
516  C CG1 . ILE A 103 ? 0.24650 0.23388 0.26838 0.01315  0.00852  0.00750  680 ILE A CG1 
517  C CG2 . ILE A 103 ? 0.24219 0.22638 0.26743 0.00930  0.00848  0.00473  680 ILE A CG2 
518  C CD1 . ILE A 103 ? 0.28045 0.25068 0.29980 0.01476  -0.00025 0.00960  680 ILE A CD1 
519  N N   . ARG A 104 ? 0.26808 0.24783 0.28726 0.02986  -0.00301 -0.01758 681 ARG A N   
520  C CA  . ARG A 104 ? 0.29366 0.27453 0.30617 0.03462  -0.00553 -0.02644 681 ARG A CA  
521  C C   . ARG A 104 ? 0.28417 0.27811 0.29429 0.02899  0.00054  -0.02211 681 ARG A C   
522  O O   . ARG A 104 ? 0.31421 0.31875 0.31548 0.03410  0.00314  -0.02691 681 ARG A O   
523  C CB  . ARG A 104 ? 0.33486 0.29228 0.34681 0.03278  -0.01819 -0.03048 681 ARG A CB  
524  C CG  . ARG A 104 ? 0.40902 0.36260 0.41143 0.03837  -0.02469 -0.04216 681 ARG A CG  
525  C CD  . ARG A 104 ? 0.39731 0.32483 0.40214 0.03291  -0.03987 -0.04503 681 ARG A CD  
526  N NE  . ARG A 104 ? 0.38913 0.29427 0.39742 0.03499  -0.04809 -0.04524 681 ARG A NE  
527  C CZ  . ARG A 104 ? 0.43935 0.33084 0.44091 0.04926  -0.05554 -0.05818 681 ARG A CZ  
528  N NH1 . ARG A 104 ? 0.42656 0.32901 0.41671 0.06349  -0.05305 -0.07284 681 ARG A NH1 
529  N NH2 . ARG A 104 ? 0.37493 0.24143 0.38039 0.05014  -0.06568 -0.05618 681 ARG A NH2 
530  N N   . TRP A 105 ? 0.24464 0.23794 0.26148 0.01945  0.00247  -0.01305 682 TRP A N   
531  C CA  . TRP A 105 ? 0.26941 0.27066 0.28625 0.01541  0.00472  -0.00917 682 TRP A CA  
532  C C   . TRP A 105 ? 0.26334 0.27767 0.27721 0.01583  0.01331  -0.00466 682 TRP A C   
533  O O   . TRP A 105 ? 0.26557 0.28451 0.27655 0.01438  0.01390  -0.00132 682 TRP A O   
534  C CB  . TRP A 105 ? 0.22874 0.22746 0.25690 0.00715  0.00441  -0.00211 682 TRP A CB  
535  C CG  . TRP A 105 ? 0.25797 0.24385 0.29120 0.00326  -0.00239 -0.00244 682 TRP A CG  
536  C CD1 . TRP A 105 ? 0.26960 0.24952 0.30645 -0.00107 -0.00057 0.00335  682 TRP A CD1 
537  C CD2 . TRP A 105 ? 0.28990 0.26426 0.32301 0.00269  -0.01375 -0.00842 682 TRP A CD2 
538  N NE1 . TRP A 105 ? 0.27946 0.24438 0.31965 -0.00548 -0.00970 0.00351  682 TRP A NE1 
539  C CE2 . TRP A 105 ? 0.29262 0.25284 0.33180 -0.00349 -0.01860 -0.00444 682 TRP A CE2 
540  C CE3 . TRP A 105 ? 0.28607 0.25916 0.31278 0.00629  -0.02152 -0.01660 682 TRP A CE3 
541  C CZ2 . TRP A 105 ? 0.32974 0.27246 0.37133 -0.00706 -0.03175 -0.00837 682 TRP A CZ2 
542  C CZ3 . TRP A 105 ? 0.33197 0.28857 0.35978 0.00391  -0.03495 -0.02269 682 TRP A CZ3 
543  C CH2 . TRP A 105 ? 0.34405 0.28467 0.38056 -0.00317 -0.04030 -0.01852 682 TRP A CH2 
544  N N   . VAL A 106 ? 0.24416 0.26340 0.25967 0.01701  0.01826  -0.00362 683 VAL A N   
545  C CA  . VAL A 106 ? 0.25834 0.28773 0.27427 0.01411  0.02489  0.00213  683 VAL A CA  
546  C C   . VAL A 106 ? 0.26729 0.31038 0.27578 0.01780  0.02853  0.00056  683 VAL A C   
547  O O   . VAL A 106 ? 0.28829 0.33947 0.29616 0.02434  0.02972  -0.00573 683 VAL A O   
548  C CB  . VAL A 106 ? 0.25869 0.28900 0.28089 0.01235  0.02680  0.00389  683 VAL A CB  
549  C CG1 . VAL A 106 ? 0.24302 0.28227 0.26724 0.00763  0.03138  0.00929  683 VAL A CG1 
550  C CG2 . VAL A 106 ? 0.24314 0.26150 0.26782 0.00884  0.02476  0.00613  683 VAL A CG2 
551  N N   . ASP A 107 ? 0.26217 0.30873 0.26438 0.01448  0.03040  0.00655  684 ASP A N   
552  C CA  . ASP A 107 ? 0.26756 0.32941 0.25961 0.01638  0.03557  0.00776  684 ASP A CA  
553  C C   . ASP A 107 ? 0.26588 0.34065 0.26374 0.00959  0.04286  0.01670  684 ASP A C   
554  O O   . ASP A 107 ? 0.27391 0.36882 0.27087 0.01144  0.04975  0.01633  684 ASP A O   
555  C CB  . ASP A 107 ? 0.30743 0.36559 0.28560 0.01615  0.03204  0.01100  684 ASP A CB  
556  C CG  . ASP A 107 ? 0.33360 0.38189 0.30676 0.02185  0.02318  0.00127  684 ASP A CG  
557  O OD1 . ASP A 107 ? 0.34809 0.39744 0.31799 0.02891  0.02201  -0.00951 684 ASP A OD1 
558  O OD2 . ASP A 107 ? 0.32612 0.36516 0.30067 0.01943  0.01622  0.00394  684 ASP A OD2 
559  N N   . GLU A 108 ? 0.24698 0.31154 0.25175 0.00180  0.04123  0.02417  685 GLU A N   
560  C CA  . GLU A 108 ? 0.23857 0.31025 0.25008 -0.00718 0.04501  0.03309  685 GLU A CA  
561  C C   . GLU A 108 ? 0.22350 0.28010 0.24469 -0.01096 0.04041  0.03254  685 GLU A C   
562  O O   . GLU A 108 ? 0.25983 0.30102 0.27959 -0.00774 0.03618  0.02897  685 GLU A O   
563  C CB  . GLU A 108 ? 0.27906 0.34845 0.28103 -0.01393 0.04576  0.04522  685 GLU A CB  
564  C CG  . GLU A 108 ? 0.32707 0.40800 0.31209 -0.00926 0.04905  0.04585  685 GLU A CG  
565  C CD  . GLU A 108 ? 0.41765 0.49777 0.39107 -0.01756 0.05008  0.06128  685 GLU A CD  
566  O OE1 . GLU A 108 ? 0.41902 0.48764 0.39984 -0.02732 0.04752  0.07142  685 GLU A OE1 
567  O OE2 . GLU A 108 ? 0.41507 0.50432 0.37006 -0.01432 0.05249  0.06335  685 GLU A OE2 
568  N N   . ILE A 109 ? 0.23431 0.29741 0.26545 -0.01776 0.04116  0.03559  686 ILE A N   
569  C CA  . ILE A 109 ? 0.25053 0.29838 0.28690 -0.02120 0.03566  0.03381  686 ILE A CA  
570  C C   . ILE A 109 ? 0.26258 0.30566 0.30348 -0.03287 0.03337  0.04247  686 ILE A C   
571  O O   . ILE A 109 ? 0.25557 0.31675 0.30390 -0.04047 0.03688  0.04935  686 ILE A O   
572  C CB  . ILE A 109 ? 0.24126 0.29645 0.28512 -0.01805 0.03395  0.02690  686 ILE A CB  
573  C CG1 . ILE A 109 ? 0.25483 0.30827 0.29373 -0.00780 0.03405  0.01971  686 ILE A CG1 
574  C CG2 . ILE A 109 ? 0.25231 0.29146 0.29660 -0.02197 0.02760  0.02488  686 ILE A CG2 
575  C CD1 . ILE A 109 ? 0.25691 0.31205 0.30042 -0.00396 0.03033  0.01466  686 ILE A CD1 
576  N N   . ILE A 110 ? 0.24093 0.26018 0.27840 -0.03429 0.02733  0.04188  687 ILE A N   
577  C CA  . ILE A 110 ? 0.25470 0.26072 0.29632 -0.04503 0.02128  0.04731  687 ILE A CA  
578  C C   . ILE A 110 ? 0.26837 0.26631 0.31256 -0.04450 0.01543  0.03789  687 ILE A C   
579  O O   . ILE A 110 ? 0.28645 0.26913 0.32236 -0.03627 0.01344  0.02958  687 ILE A O   
580  C CB  . ILE A 110 ? 0.30872 0.28954 0.34258 -0.04469 0.01649  0.05181  687 ILE A CB  
581  C CG1 . ILE A 110 ? 0.32960 0.31861 0.35728 -0.04494 0.02083  0.06212  687 ILE A CG1 
582  C CG2 . ILE A 110 ? 0.30460 0.26458 0.34235 -0.05586 0.00729  0.05602  687 ILE A CG2 
583  C CD1 . ILE A 110 ? 0.35717 0.32217 0.37707 -0.04171 0.01452  0.06695  687 ILE A CD1 
584  N N   . SER A 111 ? 0.28576 0.29631 0.34139 -0.05333 0.01263  0.03945  688 SER A N   
585  C CA  . SER A 111 ? 0.27052 0.27727 0.32743 -0.05287 0.00553  0.03068  688 SER A CA  
586  C C   . SER A 111 ? 0.27496 0.28090 0.34414 -0.06761 -0.00337 0.03465  688 SER A C   
587  O O   . SER A 111 ? 0.28391 0.31595 0.37015 -0.07619 -0.00102 0.04199  688 SER A O   
588  C CB  . SER A 111 ? 0.30074 0.32973 0.36169 -0.04534 0.00925  0.02643  688 SER A CB  
589  O OG  . SER A 111 ? 0.30564 0.33179 0.36653 -0.04534 0.00074  0.01979  688 SER A OG  
590  N N   . PRO A 112 ? 0.30186 0.27918 0.36397 -0.07108 -0.01406 0.02950  689 PRO A N   
591  C CA  . PRO A 112 ? 0.32988 0.28012 0.37309 -0.05948 -0.01566 0.01953  689 PRO A CA  
592  C C   . PRO A 112 ? 0.33951 0.27305 0.37810 -0.05729 -0.01316 0.02506  689 PRO A C   
593  O O   . PRO A 112 ? 0.31213 0.24598 0.35885 -0.06814 -0.01406 0.03721  689 PRO A O   
594  C CB  . PRO A 112 ? 0.34585 0.27374 0.38436 -0.06453 -0.02973 0.01083  689 PRO A CB  
595  C CG  . PRO A 112 ? 0.36290 0.29340 0.41961 -0.08327 -0.03705 0.02164  689 PRO A CG  
596  C CD  . PRO A 112 ? 0.31606 0.28590 0.38956 -0.08714 -0.02596 0.03277  689 PRO A CD  
597  N N   . CYS A 113 ? 0.31764 0.23841 0.34402 -0.04377 -0.01038 0.01732  690 CYS A N   
598  C CA  . CYS A 113 ? 0.33843 0.24255 0.36124 -0.03847 -0.01026 0.02058  690 CYS A CA  
599  C C   . CYS A 113 ? 0.38408 0.25496 0.39913 -0.03436 -0.02056 0.01118  690 CYS A C   
600  O O   . CYS A 113 ? 0.38527 0.24736 0.39374 -0.03349 -0.02608 -0.00013 690 CYS A O   
601  C CB  . CYS A 113 ? 0.30491 0.22188 0.32407 -0.02533 -0.00051 0.01797  690 CYS A CB  
602  S SG  . CYS A 113 ? 0.35065 0.26503 0.35934 -0.01169 0.00260  0.00219  690 CYS A SG  
603  N N   . PRO A 114 ? 0.40843 0.25847 0.42253 -0.03057 -0.02476 0.01477  691 PRO A N   
604  C CA  . PRO A 114 ? 0.43220 0.24842 0.43845 -0.02227 -0.03492 0.00293  691 PRO A CA  
605  C C   . PRO A 114 ? 0.41793 0.24048 0.41544 -0.00362 -0.02750 -0.01279 691 PRO A C   
606  O O   . PRO A 114 ? 0.38044 0.22703 0.38083 0.00370  -0.01608 -0.01088 691 PRO A O   
607  C CB  . PRO A 114 ? 0.43410 0.22970 0.44345 -0.02138 -0.04095 0.01337  691 PRO A CB  
608  C CG  . PRO A 114 ? 0.43199 0.24745 0.44910 -0.03719 -0.03661 0.03330  691 PRO A CG  
609  C CD  . PRO A 114 ? 0.39201 0.24519 0.41103 -0.03491 -0.02307 0.03056  691 PRO A CD  
610  N N   . TRP A 115 ? 0.45314 0.25438 0.43940 0.00347  -0.03426 -0.02857 692 TRP A N   
611  C CA  . TRP A 115 ? 0.48125 0.29011 0.45763 0.02180  -0.02569 -0.04349 692 TRP A CA  
612  C C   . TRP A 115 ? 0.48444 0.29354 0.46822 0.03690  -0.02143 -0.04350 692 TRP A C   
613  O O   . TRP A 115 ? 0.47121 0.30544 0.45736 0.04741  -0.00888 -0.04643 692 TRP A O   
614  C CB  . TRP A 115 ? 0.51663 0.30047 0.47587 0.02822  -0.03450 -0.06212 692 TRP A CB  
615  C CG  . TRP A 115 ? 0.51113 0.31065 0.45672 0.04465  -0.02271 -0.07632 692 TRP A CG  
616  C CD1 . TRP A 115 ? 0.55119 0.34353 0.49061 0.06484  -0.01922 -0.09086 692 TRP A CD1 
617  C CD2 . TRP A 115 ? 0.51713 0.34433 0.45396 0.04239  -0.01210 -0.07596 692 TRP A CD2 
618  N NE1 . TRP A 115 ? 0.55489 0.37211 0.48186 0.07399  -0.00521 -0.09899 692 TRP A NE1 
619  C CE2 . TRP A 115 ? 0.55627 0.39266 0.48020 0.05964  -0.00148 -0.08912 692 TRP A CE2 
620  C CE3 . TRP A 115 ? 0.45685 0.30187 0.39566 0.02813  -0.01099 -0.06556 692 TRP A CE3 
621  C CZ2 . TRP A 115 ? 0.54512 0.40630 0.45619 0.06061  0.01022  -0.08968 692 TRP A CZ2 
622  C CZ3 . TRP A 115 ? 0.48296 0.34888 0.40946 0.03084  -0.00152 -0.06730 692 TRP A CZ3 
623  C CH2 . TRP A 115 ? 0.50973 0.38256 0.42129 0.04576  0.00888  -0.07824 692 TRP A CH2 
624  N N   . VAL A 116 ? 0.47269 0.25438 0.46157 0.03751  -0.03282 -0.03918 693 VAL A N   
625  C CA  . VAL A 116 ? 0.47968 0.25733 0.47649 0.05366  -0.03285 -0.03985 693 VAL A CA  
626  C C   . VAL A 116 ? 0.48172 0.26028 0.48885 0.04361  -0.03660 -0.01931 693 VAL A C   
627  O O   . VAL A 116 ? 0.47779 0.23406 0.48381 0.02916  -0.04735 -0.00826 693 VAL A O   
628  C CB  . VAL A 116 ? 0.56369 0.30224 0.55439 0.06779  -0.04569 -0.05446 693 VAL A CB  
629  C CG1 . VAL A 116 ? 0.57178 0.30874 0.57400 0.08697  -0.04668 -0.05517 693 VAL A CG1 
630  C CG2 . VAL A 116 ? 0.58104 0.31831 0.55600 0.07799  -0.04206 -0.07641 693 VAL A CG2 
631  N N   . VAL A 117 ? 0.45614 0.26064 0.47266 0.05068  -0.02835 -0.01385 694 VAL A N   
632  C CA  . VAL A 117 ? 0.43261 0.23819 0.45492 0.04424  -0.03258 0.00409  694 VAL A CA  
633  C C   . VAL A 117 ? 0.47230 0.24151 0.49536 0.05196  -0.04806 0.00702  694 VAL A C   
634  O O   . VAL A 117 ? 0.45943 0.21615 0.48583 0.07112  -0.05190 -0.00667 694 VAL A O   
635  C CB  . VAL A 117 ? 0.40269 0.24302 0.43449 0.05119  -0.02272 0.00639  694 VAL A CB  
636  C CG1 . VAL A 117 ? 0.43865 0.27722 0.47270 0.04764  -0.02958 0.02291  694 VAL A CG1 
637  C CG2 . VAL A 117 ? 0.40372 0.27408 0.43394 0.04189  -0.00996 0.00586  694 VAL A CG2 
638  N N   . THR A 118 ? 0.46151 0.21397 0.48132 0.03783  -0.05700 0.02542  695 THR A N   
639  C CA  . THR A 118 ? 0.51900 0.23461 0.53826 0.04305  -0.07347 0.03317  695 THR A CA  
640  C C   . THR A 118 ? 0.51796 0.24410 0.53738 0.03985  -0.07533 0.05271  695 THR A C   
641  O O   . THR A 118 ? 0.47940 0.23547 0.49619 0.02804  -0.06512 0.06220  695 THR A O   
642  C CB  . THR A 118 ? 0.59131 0.26766 0.60334 0.02661  -0.08658 0.04065  695 THR A CB  
643  O OG1 . THR A 118 ? 0.53482 0.22642 0.54382 0.00262  -0.08190 0.06066  695 THR A OG1 
644  C CG2 . THR A 118 ? 0.57124 0.23496 0.58009 0.02798  -0.08747 0.02061  695 THR A CG2 
645  N N   . PRO A 119 ? 0.42990 0.28762 0.57007 0.00987  -0.04522 0.01964  696 PRO A N   
646  C CA  . PRO A 119 ? 0.46187 0.31473 0.59705 0.01222  -0.04185 0.06067  696 PRO A CA  
647  C C   . PRO A 119 ? 0.44007 0.29125 0.57940 -0.00534 -0.03410 0.08846  696 PRO A C   
648  O O   . PRO A 119 ? 0.45679 0.32504 0.56425 -0.00693 -0.02500 0.11271  696 PRO A O   
649  C CB  . PRO A 119 ? 0.47691 0.29540 0.65156 0.02438  -0.05192 0.06477  696 PRO A CB  
650  C CG  . PRO A 119 ? 0.49833 0.32053 0.69408 0.03360  -0.05336 0.01680  696 PRO A CG  
651  C CD  . PRO A 119 ? 0.45511 0.29215 0.63092 0.02000  -0.05016 -0.00939 696 PRO A CD  
652  N N   . GLU A 120 ? 0.42890 0.26332 0.61263 -0.01972 -0.03536 0.08059  697 GLU A N   
653  C CA  . GLU A 120 ? 0.44729 0.28661 0.65054 -0.04051 -0.02093 0.10299  697 GLU A CA  
654  C C   . GLU A 120 ? 0.43439 0.31821 0.61534 -0.04351 -0.01456 0.09392  697 GLU A C   
655  O O   . GLU A 120 ? 0.43629 0.33787 0.61181 -0.05358 0.00495  0.11521  697 GLU A O   
656  C CB  . GLU A 120 ? 0.46610 0.28472 0.73913 -0.05685 -0.02597 0.08651  697 GLU A CB  
657  C CG  . GLU A 120 ? 0.53265 0.29907 0.84644 -0.05636 -0.03247 0.09745  697 GLU A CG  
658  C CD  . GLU A 120 ? 0.59625 0.35110 0.92510 -0.03887 -0.05372 0.05125  697 GLU A CD  
659  O OE1 . GLU A 120 ? 0.52658 0.30887 0.80746 -0.02290 -0.05740 0.02831  697 GLU A OE1 
660  O OE2 . GLU A 120 ? 0.70242 0.42044 1.09445 -0.04268 -0.06389 0.03596  697 GLU A OE2 
661  N N   . PHE A 121 ? 0.38878 0.28923 0.55633 -0.03490 -0.03051 0.06199  698 PHE A N   
662  C CA  . PHE A 121 ? 0.38571 0.32016 0.53863 -0.03430 -0.03225 0.05473  698 PHE A CA  
663  C C   . PHE A 121 ? 0.40171 0.35235 0.51368 -0.02625 -0.01902 0.07422  698 PHE A C   
664  O O   . PHE A 121 ? 0.38492 0.36059 0.50345 -0.03120 -0.00705 0.07965  698 PHE A O   
665  C CB  . PHE A 121 ? 0.39072 0.32730 0.52058 -0.02589 -0.05537 0.02613  698 PHE A CB  
666  C CG  . PHE A 121 ? 0.38423 0.34449 0.49915 -0.02218 -0.06516 0.02333  698 PHE A CG  
667  C CD1 . PHE A 121 ? 0.34906 0.31537 0.42040 -0.01255 -0.06049 0.03327  698 PHE A CD1 
668  C CD2 . PHE A 121 ? 0.34273 0.31761 0.49898 -0.02762 -0.08288 0.00875  698 PHE A CD2 
669  C CE1 . PHE A 121 ? 0.34298 0.32276 0.40978 -0.00858 -0.07268 0.03223  698 PHE A CE1 
670  C CE2 . PHE A 121 ? 0.33445 0.32625 0.48707 -0.02065 -0.09864 0.00639  698 PHE A CE2 
671  C CZ  . PHE A 121 ? 0.31239 0.30316 0.41875 -0.01113 -0.09333 0.01984  698 PHE A CZ  
672  N N   . LEU A 122 ? 0.37037 0.31057 0.44823 -0.01343 -0.02125 0.07895  699 LEU A N   
673  C CA  . LEU A 122 ? 0.41943 0.37504 0.46487 -0.00539 -0.01431 0.09235  699 LEU A CA  
674  C C   . LEU A 122 ? 0.43826 0.39568 0.47713 -0.01291 0.00171  0.11817  699 LEU A C   
675  O O   . LEU A 122 ? 0.42172 0.40424 0.43996 -0.01235 0.01162  0.12004  699 LEU A O   
676  C CB  . LEU A 122 ? 0.44146 0.38708 0.47057 0.00871  -0.02171 0.09047  699 LEU A CB  
677  C CG  . LEU A 122 ? 0.43193 0.37856 0.45780 0.01246  -0.02686 0.06592  699 LEU A CG  
678  C CD1 . LEU A 122 ? 0.46940 0.41462 0.49723 0.02455  -0.02686 0.05949  699 LEU A CD1 
679  C CD2 . LEU A 122 ? 0.35076 0.31584 0.35949 0.00984  -0.02790 0.06043  699 LEU A CD2 
680  N N   . GLU A 123 ? 0.43596 0.36453 0.48917 -0.02070 0.00562  0.13827  700 GLU A N   
681  C CA  . GLU A 123 ? 0.48925 0.41390 0.52363 -0.03241 0.02561  0.17082  700 GLU A CA  
682  C C   . GLU A 123 ? 0.46112 0.41827 0.52032 -0.05035 0.05064  0.16274  700 GLU A C   
683  O O   . GLU A 123 ? 0.49836 0.47958 0.52621 -0.05508 0.07246  0.17153  700 GLU A O   
684  C CB  . GLU A 123 ? 0.48625 0.36348 0.53943 -0.03996 0.02381  0.19930  700 GLU A CB  
685  C CG  . GLU A 123 ? 0.62287 0.48468 0.63592 -0.05228 0.04346  0.24501  700 GLU A CG  
686  C CD  . GLU A 123 ? 0.73203 0.60005 0.67027 -0.03424 0.03180  0.25966  700 GLU A CD  
687  O OE1 . GLU A 123 ? 0.75083 0.62750 0.68786 -0.01207 0.00592  0.23634  700 GLU A OE1 
688  O OE2 . GLU A 123 ? 0.85264 0.71873 0.73241 -0.04284 0.04824  0.28419  700 GLU A OE2 
689  N N   . LYS A 124 ? 0.40849 0.37074 0.52766 -0.05926 0.04635  0.14040  701 LYS A N   
690  C CA  . LYS A 124 ? 0.40886 0.40423 0.57663 -0.07663 0.06797  0.12939  701 LYS A CA  
691  C C   . LYS A 124 ? 0.39537 0.43404 0.55165 -0.06678 0.07197  0.10838  701 LYS A C   
692  O O   . LYS A 124 ? 0.36241 0.43501 0.53874 -0.07821 0.10168  0.10421  701 LYS A O   
693  C CB  . LYS A 124 ? 0.42645 0.41975 0.66623 -0.08351 0.04944  0.10305  701 LYS A CB  
694  C CG  . LYS A 124 ? 0.39461 0.42731 0.70938 -0.10044 0.06614  0.08516  701 LYS A CG  
695  C CD  . LYS A 124 ? 0.40027 0.43579 0.77886 -0.09918 0.03109  0.05053  701 LYS A CD  
696  C CE  . LYS A 124 ? 0.43731 0.51622 0.91238 -0.11481 0.04221  0.02805  701 LYS A CE  
697  N NZ  . LYS A 124 ? 0.48734 0.57191 1.01526 -0.10707 -0.00571 -0.00935 701 LYS A NZ  
698  N N   . TYR A 125 ? 0.35657 0.39469 0.48715 -0.04686 0.04531  0.09310  702 TYR A N   
699  C CA  . TYR A 125 ? 0.33329 0.40350 0.46365 -0.03635 0.04342  0.07247  702 TYR A CA  
700  C C   . TYR A 125 ? 0.35946 0.43211 0.42917 -0.02467 0.04700  0.07937  702 TYR A C   
701  O O   . TYR A 125 ? 0.37351 0.46528 0.44460 -0.01389 0.04012  0.05962  702 TYR A O   
702  C CB  . TYR A 125 ? 0.31127 0.37662 0.46280 -0.02547 0.00977  0.05232  702 TYR A CB  
703  C CG  . TYR A 125 ? 0.31557 0.38715 0.53135 -0.03416 -0.00224 0.03721  702 TYR A CG  
704  C CD1 . TYR A 125 ? 0.33681 0.44384 0.61724 -0.03582 -0.00035 0.01631  702 TYR A CD1 
705  C CD2 . TYR A 125 ? 0.34216 0.38717 0.56370 -0.03956 -0.01778 0.03767  702 TYR A CD2 
706  C CE1 . TYR A 125 ? 0.30736 0.42469 0.65968 -0.04255 -0.01760 -0.00180 702 TYR A CE1 
707  C CE2 . TYR A 125 ? 0.33293 0.38584 0.61804 -0.04725 -0.03477 0.01800  702 TYR A CE2 
708  C CZ  . TYR A 125 ? 0.31984 0.40960 0.67143 -0.04874 -0.03637 -0.00052 702 TYR A CZ  
709  O OH  . TYR A 125 ? 0.36039 0.46224 0.78733 -0.05511 -0.05930 -0.02404 702 TYR A OH  
710  N N   . LYS A 126 ? 0.35922 0.41092 0.38188 -0.02576 0.05296  0.10578  703 LYS A N   
711  C CA  . LYS A 126 ? 0.38716 0.44328 0.35244 -0.01400 0.05003  0.11065  703 LYS A CA  
712  C C   . LYS A 126 ? 0.34996 0.40824 0.31847 0.00238  0.02493  0.08997  703 LYS A C   
713  O O   . LYS A 126 ? 0.37156 0.45023 0.32560 0.01082  0.02248  0.07359  703 LYS A O   
714  C CB  . LYS A 126 ? 0.41512 0.50634 0.35788 -0.01957 0.07774  0.10249  703 LYS A CB  
715  C CG  . LYS A 126 ? 0.48948 0.58700 0.43862 -0.04217 0.11490  0.12045  703 LYS A CG  
716  C CD  . LYS A 126 ? 0.59017 0.64277 0.50929 -0.05099 0.11389  0.16503  703 LYS A CD  
717  C CE  . LYS A 126 ? 0.65757 0.71148 0.59152 -0.07937 0.15569  0.18782  703 LYS A CE  
718  N NZ  . LYS A 126 ? 0.66736 0.67333 0.63489 -0.09051 0.14719  0.21719  703 LYS A NZ  
719  N N   . ILE A 127 ? 0.34977 0.38653 0.33769 0.00506  0.00853  0.08916  704 ILE A N   
720  C CA  . ILE A 127 ? 0.34809 0.38408 0.34053 0.01456  -0.00757 0.07437  704 ILE A CA  
721  C C   . ILE A 127 ? 0.35893 0.38879 0.33030 0.02471  -0.01696 0.07890  704 ILE A C   
722  O O   . ILE A 127 ? 0.37570 0.38663 0.34122 0.02702  -0.02100 0.09287  704 ILE A O   
723  C CB  . ILE A 127 ? 0.34386 0.36235 0.35372 0.01110  -0.01670 0.07028  704 ILE A CB  
724  C CG1 . ILE A 127 ? 0.30797 0.33640 0.34775 0.00523  -0.01907 0.06092  704 ILE A CG1 
725  C CG2 . ILE A 127 ? 0.29737 0.30998 0.29955 0.01650  -0.02527 0.06312  704 ILE A CG2 
726  C CD1 . ILE A 127 ? 0.32781 0.33853 0.37577 0.00137  -0.03360 0.05689  704 ILE A CD1 
727  N N   . ASP A 128 ? 0.32443 0.37008 0.29649 0.03171  -0.02378 0.06401  705 ASP A N   
728  C CA  . ASP A 128 ? 0.32471 0.37189 0.29173 0.04211  -0.03726 0.06206  705 ASP A CA  
729  C C   . ASP A 128 ? 0.31636 0.35654 0.31319 0.04235  -0.03961 0.05394  705 ASP A C   
730  O O   . ASP A 128 ? 0.31870 0.35533 0.32725 0.04974  -0.04700 0.05429  705 ASP A O   
731  C CB  . ASP A 128 ? 0.32190 0.39338 0.28158 0.04858  -0.04507 0.04384  705 ASP A CB  
732  C CG  . ASP A 128 ? 0.39977 0.48282 0.31532 0.04824  -0.03754 0.04909  705 ASP A CG  
733  O OD1 . ASP A 128 ? 0.41431 0.48461 0.29205 0.05006  -0.04051 0.07315  705 ASP A OD1 
734  O OD2 . ASP A 128 ? 0.35760 0.46093 0.27715 0.04549  -0.02676 0.02977  705 ASP A OD2 
735  N N   . TYR A 129 ? 0.27081 0.30861 0.28092 0.03431  -0.03282 0.04718  706 TYR A N   
736  C CA  . TYR A 129 ? 0.28271 0.31370 0.30865 0.02932  -0.02621 0.04273  706 TYR A CA  
737  C C   . TYR A 129 ? 0.31198 0.32453 0.32096 0.01946  -0.02026 0.04974  706 TYR A C   
738  O O   . TYR A 129 ? 0.30934 0.31858 0.31416 0.01762  -0.02672 0.05333  706 TYR A O   
739  C CB  . TYR A 129 ? 0.26921 0.31240 0.32469 0.02734  -0.02713 0.03057  706 TYR A CB  
740  C CG  . TYR A 129 ? 0.26050 0.32542 0.33508 0.03868  -0.04163 0.01697  706 TYR A CG  
741  C CD1 . TYR A 129 ? 0.23973 0.31463 0.34338 0.04456  -0.04495 0.00902  706 TYR A CD1 
742  C CD2 . TYR A 129 ? 0.28652 0.36457 0.35126 0.04502  -0.05439 0.00771  706 TYR A CD2 
743  C CE1 . TYR A 129 ? 0.25782 0.35272 0.38001 0.05815  -0.06895 -0.00441 706 TYR A CE1 
744  C CE2 . TYR A 129 ? 0.26358 0.36126 0.33231 0.05687  -0.07437 -0.00669 706 TYR A CE2 
745  C CZ  . TYR A 129 ? 0.26639 0.37081 0.36341 0.06396  -0.08532 -0.01078 706 TYR A CZ  
746  O OH  . TYR A 129 ? 0.26952 0.39298 0.37086 0.07840  -0.11481 -0.02562 706 TYR A OH  
747  N N   . VAL A 130 ? 0.28508 0.28807 0.28538 0.01420  -0.00944 0.04814  707 VAL A N   
748  C CA  . VAL A 130 ? 0.29388 0.27792 0.26216 0.00477  -0.00711 0.05415  707 VAL A CA  
749  C C   . VAL A 130 ? 0.34699 0.32629 0.31137 -0.00592 0.00708  0.05888  707 VAL A C   
750  O O   . VAL A 130 ? 0.35546 0.34740 0.33854 -0.00907 0.02645  0.04903  707 VAL A O   
751  C CB  . VAL A 130 ? 0.34836 0.32402 0.29689 0.00441  -0.00239 0.04526  707 VAL A CB  
752  C CG1 . VAL A 130 ? 0.37031 0.32738 0.27000 -0.00489 -0.00389 0.04876  707 VAL A CG1 
753  C CG2 . VAL A 130 ? 0.32418 0.29830 0.28652 0.01057  -0.01508 0.04492  707 VAL A CG2 
754  N N   . ALA A 131 ? 0.35609 0.31645 0.30487 -0.01206 -0.00244 0.07454  708 ALA A N   
755  C CA  . ALA A 131 ? 0.38120 0.32581 0.32212 -0.02646 0.01143  0.08890  708 ALA A CA  
756  C C   . ALA A 131 ? 0.48191 0.40406 0.35367 -0.03781 0.02189  0.10157  708 ALA A C   
757  O O   . ALA A 131 ? 0.50629 0.40821 0.33676 -0.03448 -0.00183 0.11143  708 ALA A O   
758  C CB  . ALA A 131 ? 0.38871 0.31566 0.35196 -0.02604 -0.00877 0.10236  708 ALA A CB  
759  N N   . HIS A 132 ? 0.50666 0.43530 0.36643 -0.05133 0.05704  0.09817  709 HIS A N   
760  C CA  . HIS A 132 ? 0.62914 0.54189 0.40994 -0.06346 0.07467  0.10426  709 HIS A CA  
761  C C   . HIS A 132 ? 0.76621 0.66548 0.52525 -0.08803 0.11036  0.12669  709 HIS A C   
762  O O   . HIS A 132 ? 0.71420 0.62731 0.54038 -0.09596 0.12871  0.12596  709 HIS A O   
763  C CB  . HIS A 132 ? 0.66610 0.60526 0.44756 -0.05730 0.09317  0.06876  709 HIS A CB  
764  N N   . ASP A 133 ? 0.94043 0.81185 0.60263 -0.10176 0.12002  0.14678  710 ASP A N   
765  C CA  . ASP A 133 ? 0.98344 0.83840 0.60797 -0.12945 0.16077  0.17476  710 ASP A CA  
766  C C   . ASP A 133 ? 0.94048 0.84015 0.61002 -0.14257 0.21955  0.14357  710 ASP A C   
767  O O   . ASP A 133 ? 0.94602 0.87633 0.61405 -0.13365 0.23427  0.10363  710 ASP A O   
768  C CB  . ASP A 133 ? 0.99799 0.83372 0.52432 -0.12744 0.14854  0.19372  710 ASP A CB  
769  C CG  . ASP A 133 ? 1.05495 0.85947 0.55263 -0.10744 0.08614  0.20923  710 ASP A CG  
770  O OD1 . ASP A 133 ? 1.03706 0.84970 0.55431 -0.09248 0.05729  0.18479  710 ASP A OD1 
771  O OD2 . ASP A 133 ? 1.04519 0.81881 0.50729 -0.10619 0.06652  0.24481  710 ASP A OD2 
772  N N   . ASP A 144 ? 0.88997 1.03153 0.93379 0.00074  0.30021  -0.33975 739 ASP A N   
773  C CA  . ASP A 144 ? 0.86779 0.97615 0.81280 -0.01004 0.28170  -0.30139 739 ASP A CA  
774  C C   . ASP A 144 ? 0.87927 0.95186 0.84383 0.00841  0.22590  -0.29833 739 ASP A C   
775  O O   . ASP A 144 ? 0.87251 0.94148 0.93832 0.02879  0.20047  -0.30237 739 ASP A O   
776  C CB  . ASP A 144 ? 0.83750 0.94775 0.79097 -0.02193 0.28373  -0.24908 739 ASP A CB  
777  C CG  . ASP A 144 ? 0.76717 0.91475 0.84686 -0.01359 0.29863  -0.26182 739 ASP A CG  
778  O OD1 . ASP A 144 ? 0.82262 0.99549 0.96131 -0.00719 0.31388  -0.29911 739 ASP A OD1 
779  O OD2 . ASP A 144 ? 0.67236 0.81819 0.79001 -0.01300 0.27841  -0.22552 739 ASP A OD2 
780  N N   . ILE A 145 ? 0.87484 0.91778 0.74448 0.00072  0.20088  -0.28407 740 ILE A N   
781  C CA  . ILE A 145 ? 0.82004 0.82907 0.71116 0.01150  0.14621  -0.26327 740 ILE A CA  
782  C C   . ILE A 145 ? 0.76692 0.76829 0.69847 0.01401  0.12377  -0.20762 740 ILE A C   
783  O O   . ILE A 145 ? 0.77955 0.75753 0.73848 0.02131  0.08619  -0.18681 740 ILE A O   
784  C CB  . ILE A 145 ? 0.91620 0.90215 0.70427 0.00140  0.12172  -0.25857 740 ILE A CB  
785  N N   . TYR A 146 ? 0.74353 0.76566 0.68020 0.00617  0.14860  -0.18596 741 TYR A N   
786  C CA  . TYR A 146 ? 0.64673 0.66626 0.61653 0.00818  0.12911  -0.14149 741 TYR A CA  
787  C C   . TYR A 146 ? 0.48583 0.52703 0.55750 0.02348  0.13088  -0.15202 741 TYR A C   
788  O O   . TYR A 146 ? 0.39964 0.44427 0.49910 0.02629  0.11515  -0.12270 741 TYR A O   
789  C CB  . TYR A 146 ? 0.67629 0.69826 0.58635 -0.01165 0.14658  -0.10939 741 TYR A CB  
790  C CG  . TYR A 146 ? 0.74023 0.73558 0.54841 -0.02333 0.13372  -0.09246 741 TYR A CG  
791  C CD1 . TYR A 146 ? 0.75085 0.72289 0.54468 -0.02020 0.09275  -0.06105 741 TYR A CD1 
792  C CD2 . TYR A 146 ? 0.82990 0.82545 0.55656 -0.03644 0.16088  -0.11046 741 TYR A CD2 
793  C CE1 . TYR A 146 ? 0.81794 0.76717 0.53229 -0.02719 0.07209  -0.04781 741 TYR A CE1 
794  C CE2 . TYR A 146 ? 0.87884 0.84694 0.50579 -0.04424 0.13862  -0.09323 741 TYR A CE2 
795  C CZ  . TYR A 146 ? 0.87977 0.82455 0.50806 -0.03813 0.09047  -0.06199 741 TYR A CZ  
796  O OH  . TYR A 146 ? 1.01665 0.93580 0.55959 -0.04240 0.05997  -0.04706 741 TYR A OH  
797  N N   . ALA A 147 ? 0.48110 0.52392 0.54515 0.06226  0.01375  -0.10940 742 ALA A N   
798  C CA  . ALA A 147 ? 0.44888 0.49640 0.53528 0.07525  0.01725  -0.11101 742 ALA A CA  
799  C C   . ALA A 147 ? 0.38842 0.41397 0.49414 0.06566  0.00457  -0.09199 742 ALA A C   
800  O O   . ALA A 147 ? 0.33315 0.36974 0.45442 0.06783  0.00879  -0.08167 742 ALA A O   
801  C CB  . ALA A 147 ? 0.54290 0.57716 0.62599 0.09904  0.01184  -0.13998 742 ALA A CB  
802  N N   . TRP A 148 ? 0.34078 0.33760 0.44492 0.05283  -0.01190 -0.08526 743 TRP A N   
803  C CA  . TRP A 148 ? 0.35313 0.33432 0.47287 0.04078  -0.02205 -0.06390 743 TRP A CA  
804  C C   . TRP A 148 ? 0.32846 0.34039 0.45257 0.03038  -0.00661 -0.04371 743 TRP A C   
805  O O   . TRP A 148 ? 0.29298 0.30425 0.42329 0.02766  -0.00700 -0.02953 743 TRP A O   
806  C CB  . TRP A 148 ? 0.36366 0.31442 0.48563 0.02453  -0.04291 -0.05713 743 TRP A CB  
807  C CG  . TRP A 148 ? 0.40667 0.37663 0.52852 0.00820  -0.03954 -0.04834 743 TRP A CG  
808  C CD1 . TRP A 148 ? 0.44761 0.41858 0.55509 0.00925  -0.04271 -0.06272 743 TRP A CD1 
809  C CD2 . TRP A 148 ? 0.40920 0.40242 0.54710 -0.01006 -0.03402 -0.02374 743 TRP A CD2 
810  N NE1 . TRP A 148 ? 0.46062 0.45196 0.57925 -0.00707 -0.04272 -0.04747 743 TRP A NE1 
811  C CE2 . TRP A 148 ? 0.39857 0.40723 0.53868 -0.01768 -0.03564 -0.02486 743 TRP A CE2 
812  C CE3 . TRP A 148 ? 0.39852 0.40435 0.54739 -0.01959 -0.02747 -0.00145 743 TRP A CE3 
813  C CZ2 . TRP A 148 ? 0.39789 0.43827 0.55922 -0.03154 -0.03018 -0.00630 743 TRP A CZ2 
814  C CZ3 . TRP A 148 ? 0.39403 0.43322 0.55735 -0.03397 -0.01849 0.01617  743 TRP A CZ3 
815  C CH2 . TRP A 148 ? 0.38473 0.44304 0.55836 -0.03842 -0.01948 0.01276  743 TRP A CH2 
816  N N   . LEU A 149 ? 0.27872 0.31417 0.39652 0.02579  0.00437  -0.04316 744 LEU A N   
817  C CA  . LEU A 149 ? 0.26425 0.32388 0.38480 0.02127  0.01641  -0.02988 744 LEU A CA  
818  C C   . LEU A 149 ? 0.24435 0.31437 0.36427 0.03077  0.02422  -0.03172 744 LEU A C   
819  O O   . LEU A 149 ? 0.26314 0.33837 0.38408 0.02896  0.02672  -0.02136 744 LEU A O   
820  C CB  . LEU A 149 ? 0.25454 0.33001 0.37051 0.01726  0.02053  -0.03042 744 LEU A CB  
821  C CG  . LEU A 149 ? 0.34263 0.41810 0.46808 0.00607  0.01170  -0.02443 744 LEU A CG  
822  C CD1 . LEU A 149 ? 0.33069 0.41636 0.45010 0.00552  0.00988  -0.02775 744 LEU A CD1 
823  C CD2 . LEU A 149 ? 0.32183 0.41363 0.46400 -0.00146 0.01643  -0.00822 744 LEU A CD2 
824  N N   . LYS A 150 ? 0.26017 0.33704 0.37819 0.04037  0.02799  -0.04488 745 LYS A N   
825  C CA  . LYS A 150 ? 0.24614 0.34010 0.37224 0.04678  0.03390  -0.04464 745 LYS A CA  
826  C C   . LYS A 150 ? 0.23953 0.32039 0.37783 0.05341  0.02437  -0.04173 745 LYS A C   
827  O O   . LYS A 150 ? 0.23851 0.32583 0.38069 0.05203  0.02327  -0.03268 745 LYS A O   
828  C CB  . LYS A 150 ? 0.26483 0.38042 0.39061 0.05432  0.04312  -0.05770 745 LYS A CB  
829  C CG  . LYS A 150 ? 0.27303 0.40074 0.38145 0.04403  0.05003  -0.05439 745 LYS A CG  
830  C CD  . LYS A 150 ? 0.31209 0.46369 0.41140 0.04929  0.06116  -0.06622 745 LYS A CD  
831  C CE  . LYS A 150 ? 0.38772 0.54631 0.46290 0.03573  0.06415  -0.05838 745 LYS A CE  
832  N NZ  . LYS A 150 ? 0.45398 0.63724 0.50969 0.03942  0.07659  -0.06963 745 LYS A NZ  
833  N N   . ARG A 151 ? 0.26423 0.32076 0.40627 0.05988  0.01288  -0.04855 746 ARG A N   
834  C CA  . ARG A 151 ? 0.28200 0.31866 0.43485 0.06570  -0.00196 -0.04290 746 ARG A CA  
835  C C   . ARG A 151 ? 0.28087 0.30810 0.42347 0.05036  -0.00633 -0.02013 746 ARG A C   
836  O O   . ARG A 151 ? 0.31025 0.32844 0.45492 0.05223  -0.01677 -0.01054 746 ARG A O   
837  C CB  . ARG A 151 ? 0.31925 0.32031 0.47614 0.07397  -0.01963 -0.05305 746 ARG A CB  
838  C CG  . ARG A 151 ? 0.40940 0.41413 0.56945 0.09310  -0.01705 -0.08083 746 ARG A CG  
839  C CD  . ARG A 151 ? 0.41096 0.36599 0.57303 0.10166  -0.04272 -0.09074 746 ARG A CD  
840  N NE  . ARG A 151 ? 0.50759 0.45156 0.65647 0.11197  -0.04409 -0.11702 746 ARG A NE  
841  C CZ  . ARG A 151 ? 0.58294 0.55557 0.73019 0.13371  -0.02913 -0.14355 746 ARG A CZ  
842  N NH1 . ARG A 151 ? 0.53419 0.55459 0.69840 0.14331  -0.00999 -0.14382 746 ARG A NH1 
843  N NH2 . ARG A 151 ? 0.57672 0.53217 0.70412 0.14497  -0.03393 -0.17007 746 ARG A NH2 
844  N N   . ALA A 152 ? 0.27232 0.30401 0.40370 0.03615  0.00084  -0.01152 747 ALA A N   
845  C CA  . ALA A 152 ? 0.27599 0.30956 0.39599 0.02292  0.00223  0.00819  747 ALA A CA  
846  C C   . ALA A 152 ? 0.25671 0.31316 0.36607 0.02463  0.01415  0.00869  747 ALA A C   
847  O O   . ALA A 152 ? 0.29079 0.35282 0.38502 0.01797  0.01772  0.02053  747 ALA A O   
848  C CB  . ALA A 152 ? 0.28006 0.31607 0.40101 0.00806  0.00456  0.01682  747 ALA A CB  
849  N N   . GLY A 153 ? 0.23801 0.30725 0.35283 0.03265  0.01936  -0.00373 748 GLY A N   
850  C CA  . GLY A 153 ? 0.22766 0.30948 0.33302 0.03307  0.02463  -0.00409 748 GLY A CA  
851  C C   . GLY A 153 ? 0.25323 0.34507 0.35165 0.02986  0.03365  -0.00473 748 GLY A C   
852  O O   . GLY A 153 ? 0.26422 0.35999 0.35121 0.03253  0.03535  -0.00631 748 GLY A O   
853  N N   . LYS A 154 ? 0.23189 0.32641 0.33831 0.02586  0.03644  -0.00526 749 LYS A N   
854  C CA  . LYS A 154 ? 0.22156 0.32988 0.32987 0.02422  0.04242  -0.00523 749 LYS A CA  
855  C C   . LYS A 154 ? 0.26816 0.37815 0.37983 0.02631  0.04087  -0.01302 749 LYS A C   
856  O O   . LYS A 154 ? 0.29357 0.41280 0.41017 0.02721  0.04146  -0.01359 749 LYS A O   
857  C CB  . LYS A 154 ? 0.25295 0.36631 0.37176 0.01451  0.04250  0.00354  749 LYS A CB  
858  C CG  . LYS A 154 ? 0.30378 0.41849 0.41587 0.00735  0.04424  0.01783  749 LYS A CG  
859  C CD  . LYS A 154 ? 0.35184 0.47751 0.47919 -0.00795 0.04394  0.03159  749 LYS A CD  
860  C CE  . LYS A 154 ? 0.40903 0.56192 0.52962 -0.01536 0.05629  0.04718  749 LYS A CE  
861  N NZ  . LYS A 154 ? 0.49295 0.62782 0.58886 -0.01856 0.05201  0.05799  749 LYS A NZ  
862  N N   . PHE A 155 ? 0.28614 0.39094 0.39584 0.02714  0.03867  -0.01770 750 PHE A N   
863  C CA  . PHE A 155 ? 0.28180 0.38930 0.38804 0.02507  0.03739  -0.02073 750 PHE A CA  
864  C C   . PHE A 155 ? 0.32041 0.42715 0.42232 0.02487  0.03434  -0.01797 750 PHE A C   
865  O O   . PHE A 155 ? 0.31355 0.42086 0.41668 0.02476  0.03366  -0.01683 750 PHE A O   
866  C CB  . PHE A 155 ? 0.27821 0.38785 0.38224 0.02538  0.03959  -0.02707 750 PHE A CB  
867  C CG  . PHE A 155 ? 0.33511 0.45073 0.42697 0.02068  0.04005  -0.02815 750 PHE A CG  
868  C CD1 . PHE A 155 ? 0.35123 0.47601 0.43900 0.01498  0.04136  -0.02126 750 PHE A CD1 
869  C CD2 . PHE A 155 ? 0.33620 0.44649 0.41794 0.01935  0.03649  -0.03412 750 PHE A CD2 
870  C CE1 . PHE A 155 ? 0.37370 0.50432 0.44505 0.00689  0.04118  -0.01731 750 PHE A CE1 
871  C CE2 . PHE A 155 ? 0.39969 0.51460 0.46185 0.01390  0.03566  -0.03369 750 PHE A CE2 
872  C CZ  . PHE A 155 ? 0.37468 0.50099 0.43041 0.00712  0.03915  -0.02382 750 PHE A CZ  
873  N N   . LYS A 156 ? 0.27410 0.37667 0.37329 0.02443  0.02829  -0.01640 751 LYS A N   
874  C CA  . LYS A 156 ? 0.31687 0.40859 0.41106 0.02244  0.01871  -0.01282 751 LYS A CA  
875  C C   . LYS A 156 ? 0.34419 0.43280 0.43131 0.01348  0.01182  -0.00577 751 LYS A C   
876  O O   . LYS A 156 ? 0.35662 0.44376 0.44388 0.01564  0.00728  -0.00637 751 LYS A O   
877  C CB  . LYS A 156 ? 0.28342 0.36494 0.37809 0.03392  0.01218  -0.01848 751 LYS A CB  
878  C CG  . LYS A 156 ? 0.28201 0.36807 0.37372 0.04152  0.01951  -0.02409 751 LYS A CG  
879  C CD  . LYS A 156 ? 0.36118 0.43917 0.44674 0.03649  0.01501  -0.02205 751 LYS A CD  
880  C CE  . LYS A 156 ? 0.38771 0.44338 0.46281 0.04081  -0.00033 -0.02718 751 LYS A CE  
881  N NZ  . LYS A 156 ? 0.34134 0.39043 0.41296 0.03456  -0.00844 -0.02480 751 LYS A NZ  
882  N N   . ALA A 157 ? 0.36503 0.45596 0.44644 0.00150  0.01022  0.00315  752 ALA A N   
883  C CA  . ALA A 157 ? 0.43022 0.51870 0.49781 -0.01094 0.00331  0.01462  752 ALA A CA  
884  C C   . ALA A 157 ? 0.44096 0.50044 0.50667 -0.01228 -0.01888 0.02230  752 ALA A C   
885  O O   . ALA A 157 ? 0.45307 0.49608 0.52526 -0.00932 -0.02858 0.02097  752 ALA A O   
886  C CB  . ALA A 157 ? 0.45767 0.56832 0.52090 -0.02612 0.01242  0.02474  752 ALA A CB  
887  N N   . THR A 158 ? 0.62320 0.85362 0.46005 0.20447  -0.00759 0.25587  753 THR A N   
888  C CA  . THR A 158 ? 0.62594 0.83712 0.43627 0.18384  -0.02450 0.23131  753 THR A CA  
889  C C   . THR A 158 ? 0.70476 0.95426 0.58844 0.16678  -0.01996 0.22748  753 THR A C   
890  O O   . THR A 158 ? 0.68632 0.95072 0.61511 0.17585  0.01331  0.23148  753 THR A O   
891  C CB  . THR A 158 ? 0.63556 0.80106 0.39397 0.19111  0.00481  0.21237  753 THR A CB  
892  O OG1 . THR A 158 ? 0.71385 0.89035 0.52357 0.19170  0.04334  0.21022  753 THR A OG1 
893  C CG2 . THR A 158 ? 0.69900 0.82931 0.38785 0.21682  0.01412  0.22397  753 THR A CG2 
894  N N   . GLN A 159 ? 0.80226 1.06117 0.69241 0.14342  -0.05470 0.22178  754 GLN A N   
895  C CA  . GLN A 159 ? 0.78165 1.07937 0.74080 0.12886  -0.04896 0.22323  754 GLN A CA  
896  C C   . GLN A 159 ? 0.79518 1.06132 0.73395 0.12063  -0.02657 0.19341  754 GLN A C   
897  O O   . GLN A 159 ? 0.82766 1.05084 0.70546 0.11390  -0.03845 0.17353  754 GLN A O   
898  C CB  . GLN A 159 ? 0.80476 1.13421 0.79536 0.10419  -0.09901 0.23941  754 GLN A CB  
899  C CG  . GLN A 159 ? 0.81205 1.17209 0.82244 0.10900  -0.13126 0.27264  754 GLN A CG  
900  C CD  . GLN A 159 ? 0.87142 1.17530 0.78943 0.10694  -0.17124 0.26331  754 GLN A CD  
901  O OE1 . GLN A 159 ? 0.95506 1.20606 0.80699 0.09167  -0.19592 0.23887  754 GLN A OE1 
902  N NE2 . GLN A 159 ? 0.83979 1.14713 0.74349 0.12591  -0.17696 0.28302  754 GLN A NE2 
903  N N   . ARG A 160 ? 0.77491 1.05580 0.75731 0.12490  0.00627  0.19142  755 ARG A N   
904  C CA  . ARG A 160 ? 0.72622 0.98115 0.69620 0.11454  0.02193  0.16632  755 ARG A CA  
905  C C   . ARG A 160 ? 0.69467 0.94985 0.65779 0.08953  -0.00982 0.15670  755 ARG A C   
906  O O   . ARG A 160 ? 0.65896 0.94447 0.64920 0.07656  -0.04237 0.17384  755 ARG A O   
907  C CB  . ARG A 160 ? 0.69133 0.95504 0.70082 0.12230  0.05320  0.16711  755 ARG A CB  
908  N N   . THR A 161 ? 0.69902 0.91861 0.62832 0.08177  -0.00287 0.13233  756 THR A N   
909  C CA  . THR A 161 ? 0.69253 0.89172 0.59362 0.06094  -0.03356 0.11900  756 THR A CA  
910  C C   . THR A 161 ? 0.63706 0.83050 0.55398 0.05103  -0.01528 0.10273  756 THR A C   
911  O O   . THR A 161 ? 0.66847 0.85686 0.59537 0.06156  0.01780  0.09678  756 THR A O   
912  C CB  . THR A 161 ? 0.72642 0.86995 0.54203 0.06971  -0.04546 0.10557  756 THR A CB  
913  O OG1 . THR A 161 ? 0.69602 0.82216 0.49430 0.09091  -0.00504 0.10063  756 THR A OG1 
914  C CG2 . THR A 161 ? 0.72042 0.86101 0.50795 0.07569  -0.07570 0.12118  756 THR A CG2 
915  N N   . GLU A 162 ? 0.60825 0.79836 0.52655 0.02874  -0.04158 0.09733  757 GLU A N   
916  C CA  . GLU A 162 ? 0.61096 0.79292 0.53959 0.01896  -0.02713 0.08263  757 GLU A CA  
917  C C   . GLU A 162 ? 0.55190 0.68136 0.41954 0.02549  -0.01812 0.05917  757 GLU A C   
918  O O   . GLU A 162 ? 0.58114 0.67238 0.38807 0.03139  -0.03478 0.05265  757 GLU A O   
919  C CB  . GLU A 162 ? 0.59790 0.79634 0.55553 -0.00781 -0.05784 0.09011  757 GLU A CB  
920  N N   . GLY A 163 ? 0.54727 0.67195 0.42788 0.02783  0.00916  0.04938  758 GLY A N   
921  C CA  . GLY A 163 ? 0.48000 0.56555 0.31987 0.03321  0.01909  0.03369  758 GLY A CA  
922  C C   . GLY A 163 ? 0.46632 0.55231 0.33037 0.02094  0.02764  0.02435  758 GLY A C   
923  O O   . GLY A 163 ? 0.48683 0.59905 0.39236 0.01237  0.03106  0.02971  758 GLY A O   
924  N N   . VAL A 164 ? 0.50733 0.56145 0.34069 0.02415  0.03315  0.01267  759 VAL A N   
925  C CA  . VAL A 164 ? 0.43958 0.49125 0.29357 0.01510  0.04239  0.00530  759 VAL A CA  
926  C C   . VAL A 164 ? 0.44114 0.49724 0.31690 0.02622  0.06671  0.01261  759 VAL A C   
927  O O   . VAL A 164 ? 0.42668 0.46969 0.28848 0.03992  0.07977  0.01735  759 VAL A O   
928  C CB  . VAL A 164 ? 0.48304 0.49833 0.29803 0.01249  0.03342  -0.00771 759 VAL A CB  
929  C CG1 . VAL A 164 ? 0.43026 0.44658 0.27088 0.00234  0.04123  -0.01295 759 VAL A CG1 
930  C CG2 . VAL A 164 ? 0.49639 0.49566 0.28499 -0.00261 -0.00036 -0.01276 759 VAL A CG2 
931  N N   . SER A 165 ? 0.43820 0.50909 0.34696 0.02167  0.07197  0.01712  760 SER A N   
932  C CA  . SER A 165 ? 0.41830 0.48368 0.34655 0.02650  0.08438  0.02560  760 SER A CA  
933  C C   . SER A 165 ? 0.38036 0.43035 0.31772 0.01726  0.08364  0.02110  760 SER A C   
934  O O   . SER A 165 ? 0.36066 0.40484 0.28902 0.00824  0.07682  0.00957  760 SER A O   
935  C CB  . SER A 165 ? 0.40728 0.47531 0.34959 0.02822  0.08635  0.03015  760 SER A CB  
936  O OG  . SER A 165 ? 0.39316 0.45282 0.33520 0.02082  0.08369  0.02167  760 SER A OG  
937  N N   . THR A 166 ? 0.39042 0.43431 0.35030 0.01782  0.08769  0.03412  761 THR A N   
938  C CA  . THR A 166 ? 0.35947 0.38837 0.33550 0.00598  0.07987  0.03471  761 THR A CA  
939  C C   . THR A 166 ? 0.39247 0.40197 0.35133 -0.00407 0.06932  0.01815  761 THR A C   
940  O O   . THR A 166 ? 0.42653 0.42704 0.38060 -0.01215 0.06336  0.01041  761 THR A O   
941  C CB  . THR A 166 ? 0.37232 0.39448 0.38194 0.00167  0.07530  0.05585  761 THR A CB  
942  O OG1 . THR A 166 ? 0.38682 0.43317 0.41801 0.01459  0.09156  0.07860  761 THR A OG1 
943  C CG2 . THR A 166 ? 0.37387 0.37815 0.40293 -0.01438 0.05796  0.06005  761 THR A CG2 
944  N N   . THR A 167 ? 0.39866 0.39993 0.34527 0.00046  0.07027  0.01535  762 THR A N   
945  C CA  . THR A 167 ? 0.39197 0.37281 0.31550 -0.00029 0.06848  0.00479  762 THR A CA  
946  C C   . THR A 167 ? 0.43143 0.43583 0.35277 -0.00360 0.07207  -0.00177 762 THR A C   
947  O O   . THR A 167 ? 0.41877 0.40912 0.32849 -0.00947 0.06940  -0.00822 762 THR A O   
948  C CB  . THR A 167 ? 0.42325 0.39237 0.33184 0.01427  0.07645  0.00810  762 THR A CB  
949  O OG1 . THR A 167 ? 0.44724 0.38666 0.35591 0.01470  0.06843  0.01503  762 THR A OG1 
950  C CG2 . THR A 167 ? 0.47546 0.41463 0.35030 0.02225  0.08152  0.00158  762 THR A CG2 
951  N N   . ASP A 168 ? 0.37989 0.41549 0.30996 -0.00124 0.07438  0.00166  763 ASP A N   
952  C CA  . ASP A 168 ? 0.40325 0.45518 0.33365 -0.00995 0.06868  -0.00144 763 ASP A CA  
953  C C   . ASP A 168 ? 0.42289 0.45741 0.34413 -0.01960 0.06184  -0.01075 763 ASP A C   
954  O O   . ASP A 168 ? 0.41546 0.44701 0.33436 -0.02900 0.05770  -0.01431 763 ASP A O   
955  C CB  . ASP A 168 ? 0.41516 0.48902 0.34730 -0.00890 0.06126  0.00359  763 ASP A CB  
956  C CG  . ASP A 168 ? 0.43552 0.53454 0.38425 0.00042  0.06648  0.01706  763 ASP A CG  
957  O OD1 . ASP A 168 ? 0.45350 0.55839 0.41296 0.00642  0.07787  0.02401  763 ASP A OD1 
958  O OD2 . ASP A 168 ? 0.43516 0.54498 0.38138 0.00533  0.06075  0.02239  763 ASP A OD2 
959  N N   . LEU A 169 ? 0.41018 0.43530 0.32951 -0.01500 0.06318  -0.01031 764 LEU A N   
960  C CA  . LEU A 169 ? 0.42573 0.43587 0.33896 -0.01815 0.06067  -0.01464 764 LEU A CA  
961  C C   . LEU A 169 ? 0.41518 0.41022 0.33414 -0.02754 0.05603  -0.01728 764 LEU A C   
962  O O   . LEU A 169 ? 0.40132 0.38663 0.31148 -0.03467 0.05119  -0.02363 764 LEU A O   
963  C CB  . LEU A 169 ? 0.37928 0.38984 0.29925 -0.00501 0.07024  -0.00374 764 LEU A CB  
964  C CG  . LEU A 169 ? 0.43699 0.44911 0.33328 0.01122  0.07777  -0.00064 764 LEU A CG  
965  C CD1 . LEU A 169 ? 0.43850 0.45577 0.34927 0.02925  0.09593  0.01896  764 LEU A CD1 
966  C CD2 . LEU A 169 ? 0.45638 0.44506 0.31061 0.01139  0.06847  -0.01419 764 LEU A CD2 
967  N N   . ILE A 170 ? 0.40964 0.39407 0.33658 -0.02769 0.05407  -0.01222 765 ILE A N   
968  C CA  . ILE A 170 ? 0.43490 0.39129 0.35337 -0.03575 0.04349  -0.01512 765 ILE A CA  
969  C C   . ILE A 170 ? 0.44072 0.39002 0.33519 -0.03688 0.04711  -0.02344 765 ILE A C   
970  O O   . ILE A 170 ? 0.46289 0.39657 0.34638 -0.04326 0.04160  -0.02730 765 ILE A O   
971  C CB  . ILE A 170 ? 0.44179 0.37123 0.35891 -0.03653 0.03296  -0.00904 765 ILE A CB  
972  C CG1 . ILE A 170 ? 0.51669 0.46181 0.47222 -0.03753 0.03022  0.00827  765 ILE A CG1 
973  C CG2 . ILE A 170 ? 0.52323 0.40991 0.41771 -0.04528 0.01425  -0.01294 765 ILE A CG2 
974  C CD1 . ILE A 170 ? 0.56427 0.51199 0.55007 -0.04603 0.01910  0.02135  765 ILE A CD1 
975  N N   . VAL A 171 ? 0.43184 0.39611 0.32266 -0.02910 0.05815  -0.02132 766 VAL A N   
976  C CA  . VAL A 171 ? 0.43645 0.40498 0.31683 -0.02682 0.06739  -0.01895 766 VAL A CA  
977  C C   . VAL A 171 ? 0.43644 0.42320 0.33011 -0.04016 0.06219  -0.01928 766 VAL A C   
978  O O   . VAL A 171 ? 0.43403 0.41296 0.31972 -0.04441 0.06413  -0.01743 766 VAL A O   
979  C CB  . VAL A 171 ? 0.40925 0.40175 0.29804 -0.01342 0.08199  -0.00800 766 VAL A CB  
980  C CG1 . VAL A 171 ? 0.43811 0.45331 0.33601 -0.01049 0.09534  0.00580  766 VAL A CG1 
981  C CG2 . VAL A 171 ? 0.46070 0.41775 0.32177 0.00285  0.08726  -0.00906 766 VAL A CG2 
982  N N   . ARG A 172 ? 0.39338 0.39662 0.29981 -0.04549 0.05452  -0.02093 767 ARG A N   
983  C CA  . ARG A 172 ? 0.41576 0.41901 0.32202 -0.05821 0.04346  -0.02330 767 ARG A CA  
984  C C   . ARG A 172 ? 0.44202 0.41772 0.33498 -0.06200 0.03961  -0.03097 767 ARG A C   
985  O O   . ARG A 172 ? 0.43489 0.40327 0.32483 -0.07214 0.03473  -0.03033 767 ARG A O   
986  C CB  . ARG A 172 ? 0.41357 0.41912 0.31364 -0.05759 0.03357  -0.02637 767 ARG A CB  
987  C CG  . ARG A 172 ? 0.45945 0.45060 0.34674 -0.07125 0.01472  -0.02928 767 ARG A CG  
988  C CD  . ARG A 172 ? 0.44794 0.41997 0.30463 -0.06429 0.00373  -0.03573 767 ARG A CD  
989  N NE  . ARG A 172 ? 0.43032 0.42758 0.29863 -0.06386 -0.00207 -0.02695 767 ARG A NE  
990  C CZ  . ARG A 172 ? 0.44870 0.42750 0.28407 -0.05740 -0.01477 -0.03051 767 ARG A CZ  
991  N NH1 . ARG A 172 ? 0.46302 0.39400 0.24553 -0.04631 -0.01841 -0.04283 767 ARG A NH1 
992  N NH2 . ARG A 172 ? 0.44980 0.45425 0.29969 -0.05860 -0.02313 -0.01991 767 ARG A NH2 
993  N N   . ILE A 173 ? 0.39946 0.36264 0.29092 -0.05465 0.04081  -0.03352 768 ILE A N   
994  C CA  . ILE A 173 ? 0.41144 0.35435 0.29928 -0.05688 0.03580  -0.03529 768 ILE A CA  
995  C C   . ILE A 173 ? 0.46776 0.39430 0.34449 -0.06264 0.03307  -0.03522 768 ILE A C   
996  O O   . ILE A 173 ? 0.44522 0.35920 0.31374 -0.06896 0.02910  -0.03658 768 ILE A O   
997  C CB  . ILE A 173 ? 0.42016 0.36385 0.32503 -0.04857 0.03652  -0.02779 768 ILE A CB  
998  C CG1 . ILE A 173 ? 0.40625 0.35936 0.31085 -0.03549 0.04574  -0.02495 768 ILE A CG1 
999  C CG2 . ILE A 173 ? 0.43820 0.36707 0.35088 -0.05179 0.02823  -0.02270 768 ILE A CG2 
1000 C CD1 . ILE A 173 ? 0.38093 0.34582 0.31402 -0.02402 0.05319  -0.00758 768 ILE A CD1 
1001 N N   . LEU A 174 ? 0.45081 0.36918 0.31790 -0.05770 0.03560  -0.03341 769 LEU A N   
1002 C CA  . LEU A 174 ? 0.46163 0.34793 0.29832 -0.05659 0.03309  -0.03392 769 LEU A CA  
1003 C C   . LEU A 174 ? 0.49418 0.38862 0.32187 -0.05645 0.04610  -0.02924 769 LEU A C   
1004 O O   . LEU A 174 ? 0.49244 0.36078 0.29343 -0.05560 0.04581  -0.02803 769 LEU A O   
1005 C CB  . LEU A 174 ? 0.47602 0.33546 0.28746 -0.04635 0.03235  -0.03421 769 LEU A CB  
1006 C CG  . LEU A 174 ? 0.51281 0.35527 0.33569 -0.05191 0.01182  -0.03275 769 LEU A CG  
1007 C CD1 . LEU A 174 ? 0.50425 0.30665 0.29329 -0.04347 0.00610  -0.03407 769 LEU A CD1 
1008 C CD2 . LEU A 174 ? 0.56800 0.38765 0.39044 -0.06290 -0.00999 -0.03057 769 LEU A CD2 
1009 N N   . LYS A 175 ? 0.46347 0.39431 0.31591 -0.05817 0.05544  -0.02242 770 LYS A N   
1010 C CA  . LYS A 175 ? 0.49578 0.44496 0.35807 -0.06180 0.06570  -0.00831 770 LYS A CA  
1011 C C   . LYS A 175 ? 0.49534 0.43107 0.35577 -0.07581 0.05563  -0.00950 770 LYS A C   
1012 O O   . LYS A 175 ? 0.49341 0.43379 0.35568 -0.07802 0.06479  0.00504  770 LYS A O   
1013 C CB  . LYS A 175 ? 0.45554 0.44793 0.35624 -0.06829 0.06554  0.00304  770 LYS A CB  
1014 N N   . ASN A 176 ? 0.47674 0.39643 0.33487 -0.08238 0.04004  -0.02254 771 ASN A N   
1015 C CA  . ASN A 176 ? 0.50319 0.40303 0.35481 -0.09191 0.03079  -0.02421 771 ASN A CA  
1016 C C   . ASN A 176 ? 0.50752 0.37804 0.33335 -0.08687 0.03034  -0.02465 771 ASN A C   
1017 O O   . ASN A 176 ? 0.51268 0.36713 0.33172 -0.09339 0.02520  -0.02249 771 ASN A O   
1018 C CB  . ASN A 176 ? 0.51264 0.40180 0.36542 -0.09249 0.01934  -0.03469 771 ASN A CB  
1019 C CG  . ASN A 176 ? 0.62876 0.52312 0.48585 -0.10073 0.01098  -0.03571 771 ASN A CG  
1020 O OD1 . ASN A 176 ? 0.65539 0.55663 0.52279 -0.11550 0.00489  -0.02606 771 ASN A OD1 
1021 N ND2 . ASN A 176 ? 0.69001 0.57824 0.53813 -0.09127 0.00856  -0.04394 771 ASN A ND2 
1022 N N   . TYR A 177 ? 0.48347 0.33897 0.28948 -0.07617 0.03127  -0.02722 772 TYR A N   
1023 C CA  . TYR A 177 ? 0.51766 0.33319 0.28925 -0.07295 0.02107  -0.02843 772 TYR A CA  
1024 C C   . TYR A 177 ? 0.54962 0.33734 0.27322 -0.05873 0.03388  -0.02361 772 TYR A C   
1025 O O   . TYR A 177 ? 0.58918 0.33594 0.27070 -0.05509 0.02629  -0.02315 772 TYR A O   
1026 C CB  . TYR A 177 ? 0.51631 0.31840 0.29448 -0.07392 0.00071  -0.03289 772 TYR A CB  
1027 C CG  . TYR A 177 ? 0.46939 0.29658 0.28996 -0.07905 -0.00404 -0.03152 772 TYR A CG  
1028 C CD1 . TYR A 177 ? 0.53447 0.35209 0.36171 -0.08230 -0.01393 -0.02740 772 TYR A CD1 
1029 C CD2 . TYR A 177 ? 0.47229 0.32858 0.31907 -0.07589 0.00467  -0.03264 772 TYR A CD2 
1030 C CE1 . TYR A 177 ? 0.50819 0.34274 0.36557 -0.07836 -0.01154 -0.02356 772 TYR A CE1 
1031 C CE2 . TYR A 177 ? 0.51631 0.38568 0.38644 -0.07228 0.00609  -0.03006 772 TYR A CE2 
1032 C CZ  . TYR A 177 ? 0.52609 0.38364 0.40048 -0.07159 -0.00008 -0.02511 772 TYR A CZ  
1033 O OH  . TYR A 177 ? 0.52679 0.39118 0.41620 -0.05973 0.00740  -0.02006 772 TYR A OH  
1034 N N   . GLU A 178 ? 0.55368 0.35843 0.27700 -0.04674 0.05433  -0.01808 773 GLU A N   
1035 C CA  . GLU A 178 ? 0.59420 0.37079 0.26601 -0.02406 0.07613  -0.00865 773 GLU A CA  
1036 C C   . GLU A 178 ? 0.62501 0.44847 0.32765 -0.01277 0.10574  0.00854  773 GLU A C   
1037 O O   . GLU A 178 ? 0.58622 0.44809 0.33366 -0.02080 0.10219  0.00669  773 GLU A O   
1038 C CB  . GLU A 178 ? 0.66086 0.37046 0.26529 -0.00935 0.06253  -0.02093 773 GLU A CB  
1039 C CG  . GLU A 178 ? 0.64883 0.36419 0.26709 -0.00697 0.05750  -0.02797 773 GLU A CG  
1040 C CD  . GLU A 178 ? 0.71560 0.35137 0.26222 0.00376  0.03630  -0.03898 773 GLU A CD  
1041 O OE1 . GLU A 178 ? 0.76784 0.34010 0.24941 0.00844  0.02109  -0.04286 773 GLU A OE1 
1042 O OE2 . GLU A 178 ? 0.71831 0.34788 0.26827 0.00700  0.03135  -0.04315 773 GLU A OE2 
1043 N N   . ASP A 179 ? 0.64881 0.47026 0.32849 0.00801  0.13596  0.02955  774 ASP A N   
1044 C CA  . ASP A 179 ? 0.70170 0.57065 0.41479 0.02447  0.16786  0.05496  774 ASP A CA  
1045 C C   . ASP A 179 ? 0.77576 0.61136 0.44257 0.05325  0.17897  0.04731  774 ASP A C   
1046 O O   . ASP A 179 ? 0.80991 0.57339 0.40227 0.07108  0.17085  0.03174  774 ASP A O   
1047 C CB  . ASP A 179 ? 0.75530 0.63842 0.46600 0.04200  0.20281  0.08909  774 ASP A CB  
1048 C CG  . ASP A 179 ? 0.81223 0.73070 0.57759 0.01058  0.19033  0.10153  774 ASP A CG  
1049 O OD1 . ASP A 179 ? 0.81212 0.77421 0.64369 -0.01971 0.16770  0.09978  774 ASP A OD1 
1050 O OD2 . ASP A 179 ? 0.84842 0.74226 0.58232 0.01703  0.20098  0.11235  774 ASP A OD2 
# 
