data_9HSG
# 
_entry.id   9HSG 
# 
_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   9HSG         pdb_00009hsg 10.2210/pdb9hsg/pdb 
WWPDB D_1292144099 ?            ?                   
# 
_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                        9HSG 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_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 CDP-Choline' 
_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 'Guichou, J.-F.' 2 0000-0002-7699-3235 
primary 'Gelin, M.'      3 0000-0003-1320-8663 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'choline-phosphate cytidylyltransferase'                    20646.949 1  2.7.7.15 ? ? 
'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn "[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM" 488.324   1  ?        ? ? ? 
3 water       nat water                                                       18.015    12 ?        ? ? ? 
# 
_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 "[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM" CDC 
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          ? 
_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 
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 
CDC non-polymer         . "[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM" ? 'C14 H26 N4 O11 P2' 488.324 
CYS 'L-peptide linking' y CYSTEINE                                                    ? 'C3 H7 N O2 S'      121.158 
GLN 'L-peptide linking' y GLUTAMINE                                                   ? 'C5 H10 N2 O3'      146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                             ? 'C5 H9 N O4'        147.129 
GLY 'peptide linking'   y GLYCINE                                                     ? 'C2 H5 N O2'        75.067  
HIS 'L-peptide linking' y HISTIDINE                                                   ? 'C6 H10 N3 O2 1'    156.162 
HOH non-polymer         . WATER                                                       ? 'H2 O'              18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                  ? 'C6 H13 N O2'       131.173 
LEU 'L-peptide linking' y LEUCINE                                                     ? 'C6 H13 N O2'       131.173 
LYS 'L-peptide linking' y LYSINE                                                      ? 'C6 H15 N2 O2 1'    147.195 
MET 'L-peptide linking' y METHIONINE                                                  ? 'C5 H11 N O2 S'     149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                               ? 'C9 H11 N O2'       165.189 
PRO 'L-peptide linking' y PROLINE                                                     ? 'C5 H9 N O2'        115.130 
SER 'L-peptide linking' y SERINE                                                      ? 'C3 H7 N O3'        105.093 
THR 'L-peptide linking' y THREONINE                                                   ? 'C4 H9 N O3'        119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                  ? 'C11 H12 N2 O2'     204.225 
TYR 'L-peptide linking' y TYROSINE                                                    ? 'C9 H11 N O3'       181.189 
VAL 'L-peptide linking' y VALINE                                                      ? 'C5 H11 N O2'       117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 615 SER SER A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 712 712 ILE ILE A . n 
A 1 136 PRO 136 713 713 PRO PRO A . n 
A 1 137 TYR 137 714 714 TYR TYR A . n 
A 1 138 ALA 138 715 715 ALA ALA A . n 
A 1 139 ASN 139 716 716 ASN ASN A . n 
A 1 140 ASN 140 717 717 ASN ASN A . n 
A 1 141 GLN 141 718 718 GLN GLN A . n 
A 1 142 LYS 142 719 719 LYS LYS A . n 
A 1 143 GLU 143 738 738 GLU GLU A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        CDC 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   CDC 
_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 CDC 1  801 1  CDC LIG A . 
C 3 HOH 1  901 7  HOH HOH A . 
C 3 HOH 2  902 9  HOH HOH A . 
C 3 HOH 3  903 1  HOH HOH A . 
C 3 HOH 4  904 19 HOH HOH A . 
C 3 HOH 5  905 3  HOH HOH A . 
C 3 HOH 6  906 12 HOH HOH A . 
C 3 HOH 7  907 4  HOH HOH A . 
C 3 HOH 8  908 17 HOH HOH A . 
C 3 HOH 9  909 13 HOH HOH A . 
C 3 HOH 10 910 6  HOH HOH A . 
C 3 HOH 11 911 20 HOH HOH A . 
C 3 HOH 12 912 15 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 616 ? CG  ? A LYS 39  CG  
2  1 Y 1 A LYS 616 ? CD  ? A LYS 39  CD  
3  1 Y 1 A LYS 616 ? CE  ? A LYS 39  CE  
4  1 Y 1 A LYS 616 ? NZ  ? A LYS 39  NZ  
5  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
6  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
7  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
8  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
9  1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
10 1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
11 1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
12 1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
13 1 Y 1 A GLN 665 ? CG  ? A GLN 88  CG  
14 1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
15 1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
16 1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
17 1 Y 1 A ASN 717 ? CG  ? A ASN 140 CG  
18 1 Y 1 A ASN 717 ? OD1 ? A ASN 140 OD1 
19 1 Y 1 A ASN 717 ? ND2 ? A ASN 140 ND2 
20 1 Y 1 A LYS 719 ? CG  ? A LYS 142 CG  
21 1 Y 1 A LYS 719 ? CD  ? A LYS 142 CD  
22 1 Y 1 A LYS 719 ? CE  ? A LYS 142 CE  
23 1 Y 1 A LYS 719 ? NZ  ? A LYS 142 NZ  
24 1 Y 1 A GLU 738 ? CG  ? A GLU 143 CG  
25 1 Y 1 A GLU 738 ? CD  ? A GLU 143 CD  
26 1 Y 1 A GLU 738 ? OE1 ? A GLU 143 OE1 
27 1 Y 1 A GLU 738 ? OE2 ? A GLU 143 OE2 
28 1 Y 1 A ARG 746 ? CG  ? A ARG 151 CG  
29 1 Y 1 A ARG 746 ? CD  ? A ARG 151 CD  
30 1 Y 1 A ARG 746 ? NE  ? A ARG 151 NE  
31 1 Y 1 A ARG 746 ? CZ  ? A ARG 151 CZ  
32 1 Y 1 A ARG 746 ? NH1 ? A ARG 151 NH1 
33 1 Y 1 A ARG 746 ? NH2 ? A ARG 151 NH2 
34 1 Y 1 A LEU 769 ? CG  ? A LEU 174 CG  
35 1 Y 1 A LEU 769 ? CD1 ? A LEU 174 CD1 
36 1 Y 1 A LEU 769 ? CD2 ? A LEU 174 CD2 
37 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
38 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
39 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
40 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
41 1 Y 1 A ASN 771 ? CG  ? A ASN 176 CG  
42 1 Y 1 A ASN 771 ? OD1 ? A ASN 176 OD1 
43 1 Y 1 A ASN 771 ? ND2 ? A ASN 176 ND2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_software.compiler_name          ? 
_software.compiler_version       ? 
_software.contact_author         ? 
_software.contact_author_email   ? 
_software.date                   ? 
_software.description            ? 
_software.dependencies           ? 
_software.hardware               ? 
_software.language               ? 
_software.location               ? 
_software.mods                   ? 
_software.name                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSG 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.267 
_cell.length_a_esd                 ? 
_cell.length_b                     70.805 
_cell.length_b_esd                 ? 
_cell.length_c                     118.166 
_cell.length_c_esd                 ? 
_cell.volume                       420571.102 
_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                         9HSG 
_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                   9HSG 
_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             2.55 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          51.69 
_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 nM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-11-04 
_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   0.8731 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8731 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-2 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          55.82 
_reflns.entry_id                                       9HSG 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.08 
_reflns.d_resolution_low                               31.00 
_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                                     22729 
_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                           95.57 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.22 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.15 
_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                                   0.996 
_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                                    2.08 
_reflns_shell.d_res_low                                     2.20 
_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                             3664 
_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                                  0.16 
_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                               66.77 
_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                                 9HSG 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.36 
_refine.ls_d_res_low                             31.00 
_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                     15456 
_refine.ls_number_reflns_R_free                  789 
_refine.ls_number_reflns_R_work                  14667 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.18 
_refine.ls_percent_reflns_R_free                 5.10 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2261 
_refine.ls_R_factor_R_free                       0.2427 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2251 
_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                          1.91 
_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                 33.7029 
_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                            0.4656 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.36 
_refine_hist.d_res_low                        31.00 
_refine_hist.number_atoms_solvent             12 
_refine_hist.number_atoms_total               1148 
_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        1105 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         31 
_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' ? 0.0096  ? 1161 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9585  ? 1587 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0537  ? 184  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0059  ? 193  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 17.4070 ? 418  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.36 2.51  . . 139 2537 95.10 . . . . 0.3693 . . . . . . . . . . . 0.3967 
'X-RAY DIFFRACTION' 2.51 2.70  . . 133 2488 94.59 . . . . 0.3264 . . . . . . . . . . . 0.3634 
'X-RAY DIFFRACTION' 2.70 2.97  . . 126 2460 92.85 . . . . 0.3328 . . . . . . . . . . . 0.2995 
'X-RAY DIFFRACTION' 2.97 3.40  . . 128 2434 91.57 . . . . 0.2588 . . . . . . . . . . . 0.3201 
'X-RAY DIFFRACTION' 3.40 4.28  . . 134 2427 91.43 . . . . 0.1968 . . . . . . . . . . . 0.2244 
'X-RAY DIFFRACTION' 4.29 31.00 . . 129 2321 87.56 . . . . 0.1659 . . . . . . . . . . . 0.1754 
# 
_struct.entry_id                     9HSG 
_struct.title                        
'Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with CDP-Choline' 
_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        9HSG 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
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              9HSG 
_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 9HSG GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSG HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSG MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSG ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSG ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSG ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSG ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSG ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSG ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSG ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSG ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSG ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSG ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSG ?   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)' 3870  ? 
1 MORE         -18   ? 
1 'SSA (A^2)'  13830 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                dimer 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000   0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_455 -x-1,-y,z -1.0000000000 0.0000000000 0.0000000000 -50.2670000000 0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? LYS A 126 ? THR A 695 LYS A 703 1 ? 9  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? LEU A 174 ? SER A 760 LEU A 769 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -3.59 
# 
_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 ? ASP A 133 ? TYR A 706 ASP A 710 
AA1 5 PHE A 155 ? THR A 158 ? PHE A 750 THR A 753 
# 
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 CYS A 113 ? O CYS A 690 N VAL A 76  ? N VAL A 653 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSG 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 663 ? ? -99.20  -60.54 
2 1 ASN A 716 ? ? -115.92 -81.21 
3 1 ASN A 717 ? ? 174.88  -24.80 
4 1 ILE A 740 ? ? 70.92   -32.24 
5 1 LEU A 769 ? ? -71.10  38.14  
# 
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 -20.1149385687 -11.4561360946 -25.1701530258 0.515486530631 ? 0.0665648150657  ? -0.0990969599018 
? 0.421349697867 ? -0.0414598462951  ? 0.460770302284 ? 5.71818488967 ? 1.12711272529    ? -2.6123258577   ? 5.9507556462  ? 
-1.76191133338  ? 3.53781028776 ? -0.0117812195873 ? -0.161825051622 ? -0.284661573561   ? 0.718713649034 ? -0.149091768937 ? 
-0.113942621932 ? 0.168156968238  ? 0.261834140109  ? 0.110980380657 ? 
2 'X-RAY DIFFRACTION' ? refined -20.9533097799 -11.5804117234 -21.4272197066 0.45910579009  ? 0.014974200827   ? -0.0735201119364 
? 0.421669451532 ? 0.0246265420338   ? 0.497085760827 ? 4.62284116492 ? -0.11504097781   ? -1.00721591139  ? 4.36601494343 ? 
1.81373937794   ? 4.31231317737 ? -0.164242375902  ? -0.218227009466 ? -0.189068646669   ? 0.69620516409  ? -0.121599724477 ? 
-0.441591898784 ? 0.269581236926  ? 0.100655216995  ? 0.305746576139 ? 
3 'X-RAY DIFFRACTION' ? refined -31.1939949317 -7.92740893306 -20.0668393839 0.705017111961 ? -0.140332029351  ? -0.0433778914582 
? 0.624822086102 ? -0.0594365996884  ? 0.452096179418 ? 4.37640698109 ? -0.471397981094  ? -2.34819757972  ? 9.36660226917 ? 
0.969822674643  ? 2.54068352878 ? -0.516894050933  ? -0.279952500734 ? 0.61044081142     ? 0.710166576134 ? 0.0308161881997 ? 
0.615636674964  ? 0.555925097321  ? -0.746738329096 ? 0.411317673048 ? 
4 'X-RAY DIFFRACTION' ? refined -21.4452662557 -17.7670077619 -28.0760022288 0.446412530574 ? 0.0178874060275  ? -0.0269457707816 
? 0.487528286824 ? 0.000592584190428 ? 0.613890419315 ? 4.60023494781 ? -1.23223922977   ? -1.42157340257  ? 5.92001261518 ? 
-0.172789791289 ? 2.65388018305 ? -0.067627160471  ? 0.337370909448  ? -0.60309977478    ? 0.188127218141 ? -0.325216186709 ? 
-0.169426085199 ? 0.223519151489  ? 0.0835524572161 ? 0.40852578395  ? 
5 'X-RAY DIFFRACTION' ? refined -11.9396981284 -23.2112623504 -16.4974183866 0.937271930325 ? -0.0804637025798 ? -0.189578878973  
? 0.72112654938  ? 0.161205804739    ? 0.678771657314 ? 9.7874192341  ? -2.93197402845   ? 1.6680661662    ? 3.35865283885 ? 
3.41245266798   ? 6.73200403863 ? -0.842989286825  ? -0.57816821328  ? -0.0351154922311  ? 0.236812356192 ? 0.177226242796  ? 
-0.100541513186 ? 0.873420608384  ? 0.164208056886  ? 0.578891744814 ? 
6 'X-RAY DIFFRACTION' ? refined -10.5143867249 -14.7387782654 -22.7909387397 0.542157190187 ? -0.0372256470191 ? -0.162344199585  
? 0.575282503722 ? 0.134748124977    ? 0.83454666904  ? 1.6708387287  ? -0.0898390808088 ? 0.0627267167225 ? 6.66207129267 ? 
3.87108705021   ? 4.92607938204 ? -0.323334348253  ? 0.158680229169  ? -0.00636965294442 ? 0.511332294587 ? 0.0447247267787 ? 
-0.311538578756 ? 0.0853711222191 ? 0.673587993993  ? 0.118945938261 ? 
7 'X-RAY DIFFRACTION' ? refined -19.535467677  4.14395754826  -3.05136998112 1.54256061663  ? -0.379216510929  ? -0.143282460146  
? 0.72346850158  ? 0.22136974156     ? 0.839143144598 ? 5.03812308925 ? 2.23479183402    ? 0.214144337521  ? 3.54111819253 ? 
-2.42324423591  ? 2.49874049323 ? -0.0509584847727 ? -1.32622751087  ? -0.226013150079   ? 1.2620322079   ? -0.87974367465  ? 
0.610002528349  ? -2.91329618699  ? 1.72001285988   ? 0.923697093517 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 615 ? A 16  A 630 ? ? 
;chain 'A' and (resid 615 through 630 )
;
2 'X-RAY DIFFRACTION' 2 A 17  A 631 ? A 55  A 669 ? ? 
;chain 'A' and (resid 631 through 669 )
;
3 'X-RAY DIFFRACTION' 3 A 56  A 670 ? A 65  A 679 ? ? 
;chain 'A' and (resid 670 through 679 )
;
4 'X-RAY DIFFRACTION' 4 A 66  A 680 ? A 96  A 710 ? ? 
;chain 'A' and (resid 680 through 710 )
;
5 'X-RAY DIFFRACTION' 5 A 97  A 711 ? A 109 A 741 ? ? 
;chain 'A' and (resid 711 through 741 )
;
6 'X-RAY DIFFRACTION' 6 A 110 A 742 ? A 128 A 760 ? ? 
;chain 'A' and (resid 742 through 760 )
;
7 'X-RAY DIFFRACTION' 7 A 129 A 761 ? A 140 A 772 ? ? 
;chain 'A' and (resid 761 through 772 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A GLU 773 ? A GLU 178 
39 1 Y 1 A ASP 774 ? A ASP 179 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N      N N N 1   
ALA CA     C N S 2   
ALA C      C N N 3   
ALA O      O N N 4   
ALA CB     C N N 5   
ALA OXT    O N N 6   
ALA H      H N N 7   
ALA H2     H N N 8   
ALA HA     H N N 9   
ALA HB1    H N N 10  
ALA HB2    H N N 11  
ALA HB3    H N N 12  
ALA HXT    H N N 13  
ARG N      N N N 14  
ARG CA     C N S 15  
ARG C      C N N 16  
ARG O      O N N 17  
ARG CB     C N N 18  
ARG CG     C N N 19  
ARG CD     C N N 20  
ARG NE     N N N 21  
ARG CZ     C N N 22  
ARG NH1    N N N 23  
ARG NH2    N N N 24  
ARG OXT    O N N 25  
ARG H      H N N 26  
ARG H2     H N N 27  
ARG HA     H N N 28  
ARG HB2    H N N 29  
ARG HB3    H N N 30  
ARG HG2    H N N 31  
ARG HG3    H N N 32  
ARG HD2    H N N 33  
ARG HD3    H N N 34  
ARG HE     H N N 35  
ARG HH11   H N N 36  
ARG HH12   H N N 37  
ARG HH21   H N N 38  
ARG HH22   H N N 39  
ARG HXT    H N N 40  
ASN N      N N N 41  
ASN CA     C N S 42  
ASN C      C N N 43  
ASN O      O N N 44  
ASN CB     C N N 45  
ASN CG     C N N 46  
ASN OD1    O N N 47  
ASN ND2    N N N 48  
ASN OXT    O N N 49  
ASN H      H N N 50  
ASN H2     H N N 51  
ASN HA     H N N 52  
ASN HB2    H N N 53  
ASN HB3    H N N 54  
ASN HD21   H N N 55  
ASN HD22   H N N 56  
ASN HXT    H N N 57  
ASP N      N N N 58  
ASP CA     C N S 59  
ASP C      C N N 60  
ASP O      O N N 61  
ASP CB     C N N 62  
ASP CG     C N N 63  
ASP OD1    O N N 64  
ASP OD2    O N N 65  
ASP OXT    O N N 66  
ASP H      H N N 67  
ASP H2     H N N 68  
ASP HA     H N N 69  
ASP HB2    H N N 70  
ASP HB3    H N N 71  
ASP HD2    H N N 72  
ASP HXT    H N N 73  
CDC N1     N N N 74  
CDC C2     C N N 75  
CDC N3     N N N 76  
CDC C4     C N N 77  
CDC C5     C N N 78  
CDC C6     C N N 79  
CDC O2     O N N 80  
CDC N4     N N N 81  
CDC "C1'"  C N R 82  
CDC "C2'"  C N R 83  
CDC "O2'"  O N N 84  
CDC "C3'"  C N S 85  
CDC "C4'"  C N R 86  
CDC "O4'"  O N N 87  
CDC "O3'"  O N N 88  
CDC "C5'"  C N N 89  
CDC "O5'"  O N N 90  
CDC PA     P N S 91  
CDC O1A    O N N 92  
CDC O2A    O N N 93  
CDC O3A    O N N 94  
CDC PB     P N N 95  
CDC O1B    O N N 96  
CDC O2B    O N N 97  
CDC O3B    O N N 98  
CDC C14    C N N 99  
CDC C15    C N N 100 
CDC N11    N N N 101 
CDC C16    C N N 102 
CDC C17    C N N 103 
CDC C18    C N N 104 
CDC H5     H N N 105 
CDC H6     H N N 106 
CDC H41    H N N 107 
CDC H42    H N N 108 
CDC "H1'"  H N N 109 
CDC "H2'"  H N N 110 
CDC "HO'2" H N N 111 
CDC "H3'"  H N N 112 
CDC "H4'"  H N N 113 
CDC H3T    H N N 114 
CDC "H5'1" H N N 115 
CDC "H5'2" H N N 116 
CDC HO2A   H N N 117 
CDC H141   H N N 118 
CDC H142   H N N 119 
CDC H151   H N N 120 
CDC H152   H N N 121 
CDC H161   H N N 122 
CDC H162   H N N 123 
CDC H163   H N N 124 
CDC H171   H N N 125 
CDC H172   H N N 126 
CDC H173   H N N 127 
CDC H181   H N N 128 
CDC H182   H N N 129 
CDC H183   H N N 130 
CYS N      N N N 131 
CYS CA     C N R 132 
CYS C      C N N 133 
CYS O      O N N 134 
CYS CB     C N N 135 
CYS SG     S N N 136 
CYS OXT    O N N 137 
CYS H      H N N 138 
CYS H2     H N N 139 
CYS HA     H N N 140 
CYS HB2    H N N 141 
CYS HB3    H N N 142 
CYS HG     H N N 143 
CYS HXT    H N N 144 
GLN N      N N N 145 
GLN CA     C N S 146 
GLN C      C N N 147 
GLN O      O N N 148 
GLN CB     C N N 149 
GLN CG     C N N 150 
GLN CD     C N N 151 
GLN OE1    O N N 152 
GLN NE2    N N N 153 
GLN OXT    O N N 154 
GLN H      H N N 155 
GLN H2     H N N 156 
GLN HA     H N N 157 
GLN HB2    H N N 158 
GLN HB3    H N N 159 
GLN HG2    H N N 160 
GLN HG3    H N N 161 
GLN HE21   H N N 162 
GLN HE22   H N N 163 
GLN HXT    H N N 164 
GLU N      N N N 165 
GLU CA     C N S 166 
GLU C      C N N 167 
GLU O      O N N 168 
GLU CB     C N N 169 
GLU CG     C N N 170 
GLU CD     C N N 171 
GLU OE1    O N N 172 
GLU OE2    O N N 173 
GLU OXT    O N N 174 
GLU H      H N N 175 
GLU H2     H N N 176 
GLU HA     H N N 177 
GLU HB2    H N N 178 
GLU HB3    H N N 179 
GLU HG2    H N N 180 
GLU HG3    H N N 181 
GLU HE2    H N N 182 
GLU HXT    H N N 183 
GLY N      N N N 184 
GLY CA     C N N 185 
GLY C      C N N 186 
GLY O      O N N 187 
GLY OXT    O N N 188 
GLY H      H N N 189 
GLY H2     H N N 190 
GLY HA2    H N N 191 
GLY HA3    H N N 192 
GLY HXT    H N N 193 
HIS N      N N N 194 
HIS CA     C N S 195 
HIS C      C N N 196 
HIS O      O N N 197 
HIS CB     C N N 198 
HIS CG     C Y N 199 
HIS ND1    N Y N 200 
HIS CD2    C Y N 201 
HIS CE1    C Y N 202 
HIS NE2    N Y N 203 
HIS OXT    O N N 204 
HIS H      H N N 205 
HIS H2     H N N 206 
HIS HA     H N N 207 
HIS HB2    H N N 208 
HIS HB3    H N N 209 
HIS HD1    H N N 210 
HIS HD2    H N N 211 
HIS HE1    H N N 212 
HIS HE2    H N N 213 
HIS HXT    H N N 214 
HOH O      O N N 215 
HOH H1     H N N 216 
HOH H2     H N N 217 
ILE N      N N N 218 
ILE CA     C N S 219 
ILE C      C N N 220 
ILE O      O N N 221 
ILE CB     C N S 222 
ILE CG1    C N N 223 
ILE CG2    C N N 224 
ILE CD1    C N N 225 
ILE OXT    O N N 226 
ILE H      H N N 227 
ILE H2     H N N 228 
ILE HA     H N N 229 
ILE HB     H N N 230 
ILE HG12   H N N 231 
ILE HG13   H N N 232 
ILE HG21   H N N 233 
ILE HG22   H N N 234 
ILE HG23   H N N 235 
ILE HD11   H N N 236 
ILE HD12   H N N 237 
ILE HD13   H N N 238 
ILE HXT    H N N 239 
LEU N      N N N 240 
LEU CA     C N S 241 
LEU C      C N N 242 
LEU O      O N N 243 
LEU CB     C N N 244 
LEU CG     C N N 245 
LEU CD1    C N N 246 
LEU CD2    C N N 247 
LEU OXT    O N N 248 
LEU H      H N N 249 
LEU H2     H N N 250 
LEU HA     H N N 251 
LEU HB2    H N N 252 
LEU HB3    H N N 253 
LEU HG     H N N 254 
LEU HD11   H N N 255 
LEU HD12   H N N 256 
LEU HD13   H N N 257 
LEU HD21   H N N 258 
LEU HD22   H N N 259 
LEU HD23   H N N 260 
LEU HXT    H N N 261 
LYS N      N N N 262 
LYS CA     C N S 263 
LYS C      C N N 264 
LYS O      O N N 265 
LYS CB     C N N 266 
LYS CG     C N N 267 
LYS CD     C N N 268 
LYS CE     C N N 269 
LYS NZ     N N N 270 
LYS OXT    O N N 271 
LYS H      H N N 272 
LYS H2     H N N 273 
LYS HA     H N N 274 
LYS HB2    H N N 275 
LYS HB3    H N N 276 
LYS HG2    H N N 277 
LYS HG3    H N N 278 
LYS HD2    H N N 279 
LYS HD3    H N N 280 
LYS HE2    H N N 281 
LYS HE3    H N N 282 
LYS HZ1    H N N 283 
LYS HZ2    H N N 284 
LYS HZ3    H N N 285 
LYS HXT    H N N 286 
MET N      N N N 287 
MET CA     C N S 288 
MET C      C N N 289 
MET O      O N N 290 
MET CB     C N N 291 
MET CG     C N N 292 
MET SD     S N N 293 
MET CE     C N N 294 
MET OXT    O N N 295 
MET H      H N N 296 
MET H2     H N N 297 
MET HA     H N N 298 
MET HB2    H N N 299 
MET HB3    H N N 300 
MET HG2    H N N 301 
MET HG3    H N N 302 
MET HE1    H N N 303 
MET HE2    H N N 304 
MET HE3    H N N 305 
MET HXT    H N N 306 
PHE N      N N N 307 
PHE CA     C N S 308 
PHE C      C N N 309 
PHE O      O N N 310 
PHE CB     C N N 311 
PHE CG     C Y N 312 
PHE CD1    C Y N 313 
PHE CD2    C Y N 314 
PHE CE1    C Y N 315 
PHE CE2    C Y N 316 
PHE CZ     C Y N 317 
PHE OXT    O N N 318 
PHE H      H N N 319 
PHE H2     H N N 320 
PHE HA     H N N 321 
PHE HB2    H N N 322 
PHE HB3    H N N 323 
PHE HD1    H N N 324 
PHE HD2    H N N 325 
PHE HE1    H N N 326 
PHE HE2    H N N 327 
PHE HZ     H N N 328 
PHE HXT    H N N 329 
PRO N      N N N 330 
PRO CA     C N S 331 
PRO C      C N N 332 
PRO O      O N N 333 
PRO CB     C N N 334 
PRO CG     C N N 335 
PRO CD     C N N 336 
PRO OXT    O N N 337 
PRO H      H N N 338 
PRO HA     H N N 339 
PRO HB2    H N N 340 
PRO HB3    H N N 341 
PRO HG2    H N N 342 
PRO HG3    H N N 343 
PRO HD2    H N N 344 
PRO HD3    H N N 345 
PRO HXT    H N N 346 
SER N      N N N 347 
SER CA     C N S 348 
SER C      C N N 349 
SER O      O N N 350 
SER CB     C N N 351 
SER OG     O N N 352 
SER OXT    O N N 353 
SER H      H N N 354 
SER H2     H N N 355 
SER HA     H N N 356 
SER HB2    H N N 357 
SER HB3    H N N 358 
SER HG     H N N 359 
SER HXT    H N N 360 
THR N      N N N 361 
THR CA     C N S 362 
THR C      C N N 363 
THR O      O N N 364 
THR CB     C N R 365 
THR OG1    O N N 366 
THR CG2    C N N 367 
THR OXT    O N N 368 
THR H      H N N 369 
THR H2     H N N 370 
THR HA     H N N 371 
THR HB     H N N 372 
THR HG1    H N N 373 
THR HG21   H N N 374 
THR HG22   H N N 375 
THR HG23   H N N 376 
THR HXT    H N N 377 
TRP N      N N N 378 
TRP CA     C N S 379 
TRP C      C N N 380 
TRP O      O N N 381 
TRP CB     C N N 382 
TRP CG     C Y N 383 
TRP CD1    C Y N 384 
TRP CD2    C Y N 385 
TRP NE1    N Y N 386 
TRP CE2    C Y N 387 
TRP CE3    C Y N 388 
TRP CZ2    C Y N 389 
TRP CZ3    C Y N 390 
TRP CH2    C Y N 391 
TRP OXT    O N N 392 
TRP H      H N N 393 
TRP H2     H N N 394 
TRP HA     H N N 395 
TRP HB2    H N N 396 
TRP HB3    H N N 397 
TRP HD1    H N N 398 
TRP HE1    H N N 399 
TRP HE3    H N N 400 
TRP HZ2    H N N 401 
TRP HZ3    H N N 402 
TRP HH2    H N N 403 
TRP HXT    H N N 404 
TYR N      N N N 405 
TYR CA     C N S 406 
TYR C      C N N 407 
TYR O      O N N 408 
TYR CB     C N N 409 
TYR CG     C Y N 410 
TYR CD1    C Y N 411 
TYR CD2    C Y N 412 
TYR CE1    C Y N 413 
TYR CE2    C Y N 414 
TYR CZ     C Y N 415 
TYR OH     O N N 416 
TYR OXT    O N N 417 
TYR H      H N N 418 
TYR H2     H N N 419 
TYR HA     H N N 420 
TYR HB2    H N N 421 
TYR HB3    H N N 422 
TYR HD1    H N N 423 
TYR HD2    H N N 424 
TYR HE1    H N N 425 
TYR HE2    H N N 426 
TYR HH     H N N 427 
TYR HXT    H N N 428 
VAL N      N N N 429 
VAL CA     C N S 430 
VAL C      C N N 431 
VAL O      O N N 432 
VAL CB     C N N 433 
VAL CG1    C N N 434 
VAL CG2    C N N 435 
VAL OXT    O N N 436 
VAL H      H N N 437 
VAL H2     H N N 438 
VAL HA     H N N 439 
VAL HB     H N N 440 
VAL HG11   H N N 441 
VAL HG12   H N N 442 
VAL HG13   H N N 443 
VAL HG21   H N N 444 
VAL HG22   H N N 445 
VAL HG23   H N N 446 
VAL HXT    H N N 447 
# 
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 
ALA N     CA     sing N N 1   
ALA N     H      sing N N 2   
ALA N     H2     sing N N 3   
ALA CA    C      sing N N 4   
ALA CA    CB     sing N N 5   
ALA CA    HA     sing N N 6   
ALA C     O      doub N N 7   
ALA C     OXT    sing N N 8   
ALA CB    HB1    sing N N 9   
ALA CB    HB2    sing N N 10  
ALA CB    HB3    sing N N 11  
ALA OXT   HXT    sing N N 12  
ARG N     CA     sing N N 13  
ARG N     H      sing N N 14  
ARG N     H2     sing N N 15  
ARG CA    C      sing N N 16  
ARG CA    CB     sing N N 17  
ARG CA    HA     sing N N 18  
ARG C     O      doub N N 19  
ARG C     OXT    sing N N 20  
ARG CB    CG     sing N N 21  
ARG CB    HB2    sing N N 22  
ARG CB    HB3    sing N N 23  
ARG CG    CD     sing N N 24  
ARG CG    HG2    sing N N 25  
ARG CG    HG3    sing N N 26  
ARG CD    NE     sing N N 27  
ARG CD    HD2    sing N N 28  
ARG CD    HD3    sing N N 29  
ARG NE    CZ     sing N N 30  
ARG NE    HE     sing N N 31  
ARG CZ    NH1    sing N N 32  
ARG CZ    NH2    doub N N 33  
ARG NH1   HH11   sing N N 34  
ARG NH1   HH12   sing N N 35  
ARG NH2   HH21   sing N N 36  
ARG NH2   HH22   sing N N 37  
ARG OXT   HXT    sing N N 38  
ASN N     CA     sing N N 39  
ASN N     H      sing N N 40  
ASN N     H2     sing N N 41  
ASN CA    C      sing N N 42  
ASN CA    CB     sing N N 43  
ASN CA    HA     sing N N 44  
ASN C     O      doub N N 45  
ASN C     OXT    sing N N 46  
ASN CB    CG     sing N N 47  
ASN CB    HB2    sing N N 48  
ASN CB    HB3    sing N N 49  
ASN CG    OD1    doub N N 50  
ASN CG    ND2    sing N N 51  
ASN ND2   HD21   sing N N 52  
ASN ND2   HD22   sing N N 53  
ASN OXT   HXT    sing N N 54  
ASP N     CA     sing N N 55  
ASP N     H      sing N N 56  
ASP N     H2     sing N N 57  
ASP CA    C      sing N N 58  
ASP CA    CB     sing N N 59  
ASP CA    HA     sing N N 60  
ASP C     O      doub N N 61  
ASP C     OXT    sing N N 62  
ASP CB    CG     sing N N 63  
ASP CB    HB2    sing N N 64  
ASP CB    HB3    sing N N 65  
ASP CG    OD1    doub N N 66  
ASP CG    OD2    sing N N 67  
ASP OD2   HD2    sing N N 68  
ASP OXT   HXT    sing N N 69  
CDC N1    C2     sing N N 70  
CDC N1    C6     sing N N 71  
CDC N1    "C1'"  sing N N 72  
CDC C2    N3     sing N N 73  
CDC C2    O2     doub N N 74  
CDC N3    C4     doub N N 75  
CDC C4    C5     sing N N 76  
CDC C4    N4     sing N N 77  
CDC C5    C6     doub N N 78  
CDC C5    H5     sing N N 79  
CDC C6    H6     sing N N 80  
CDC N4    H41    sing N N 81  
CDC N4    H42    sing N N 82  
CDC "C1'" "C2'"  sing N N 83  
CDC "C1'" "O4'"  sing N N 84  
CDC "C1'" "H1'"  sing N N 85  
CDC "C2'" "O2'"  sing N N 86  
CDC "C2'" "C3'"  sing N N 87  
CDC "C2'" "H2'"  sing N N 88  
CDC "O2'" "HO'2" sing N N 89  
CDC "C3'" "C4'"  sing N N 90  
CDC "C3'" "O3'"  sing N N 91  
CDC "C3'" "H3'"  sing N N 92  
CDC "C4'" "O4'"  sing N N 93  
CDC "C4'" "C5'"  sing N N 94  
CDC "C4'" "H4'"  sing N N 95  
CDC "O3'" H3T    sing N N 96  
CDC "C5'" "O5'"  sing N N 97  
CDC "C5'" "H5'1" sing N N 98  
CDC "C5'" "H5'2" sing N N 99  
CDC "O5'" PA     sing N N 100 
CDC PA    O1A    doub N N 101 
CDC PA    O2A    sing N N 102 
CDC PA    O3A    sing N N 103 
CDC O2A   HO2A   sing N N 104 
CDC O3A   PB     sing N N 105 
CDC PB    O1B    sing N N 106 
CDC PB    O2B    sing N N 107 
CDC PB    O3B    doub N N 108 
CDC O1B   C14    sing N N 109 
CDC C14   C15    sing N N 110 
CDC C14   H141   sing N N 111 
CDC C14   H142   sing N N 112 
CDC C15   N11    sing N N 113 
CDC C15   H151   sing N N 114 
CDC C15   H152   sing N N 115 
CDC N11   C16    sing N N 116 
CDC N11   C17    sing N N 117 
CDC N11   C18    sing N N 118 
CDC C16   H161   sing N N 119 
CDC C16   H162   sing N N 120 
CDC C16   H163   sing N N 121 
CDC C17   H171   sing N N 122 
CDC C17   H172   sing N N 123 
CDC C17   H173   sing N N 124 
CDC C18   H181   sing N N 125 
CDC C18   H182   sing N N 126 
CDC C18   H183   sing N N 127 
CYS N     CA     sing N N 128 
CYS N     H      sing N N 129 
CYS N     H2     sing N N 130 
CYS CA    C      sing N N 131 
CYS CA    CB     sing N N 132 
CYS CA    HA     sing N N 133 
CYS C     O      doub N N 134 
CYS C     OXT    sing N N 135 
CYS CB    SG     sing N N 136 
CYS CB    HB2    sing N N 137 
CYS CB    HB3    sing N N 138 
CYS SG    HG     sing N N 139 
CYS OXT   HXT    sing N N 140 
GLN N     CA     sing N N 141 
GLN N     H      sing N N 142 
GLN N     H2     sing N N 143 
GLN CA    C      sing N N 144 
GLN CA    CB     sing N N 145 
GLN CA    HA     sing N N 146 
GLN C     O      doub N N 147 
GLN C     OXT    sing N N 148 
GLN CB    CG     sing N N 149 
GLN CB    HB2    sing N N 150 
GLN CB    HB3    sing N N 151 
GLN CG    CD     sing N N 152 
GLN CG    HG2    sing N N 153 
GLN CG    HG3    sing N N 154 
GLN CD    OE1    doub N N 155 
GLN CD    NE2    sing N N 156 
GLN NE2   HE21   sing N N 157 
GLN NE2   HE22   sing N N 158 
GLN OXT   HXT    sing N N 159 
GLU N     CA     sing N N 160 
GLU N     H      sing N N 161 
GLU N     H2     sing N N 162 
GLU CA    C      sing N N 163 
GLU CA    CB     sing N N 164 
GLU CA    HA     sing N N 165 
GLU C     O      doub N N 166 
GLU C     OXT    sing N N 167 
GLU CB    CG     sing N N 168 
GLU CB    HB2    sing N N 169 
GLU CB    HB3    sing N N 170 
GLU CG    CD     sing N N 171 
GLU CG    HG2    sing N N 172 
GLU CG    HG3    sing N N 173 
GLU CD    OE1    doub N N 174 
GLU CD    OE2    sing N N 175 
GLU OE2   HE2    sing N N 176 
GLU OXT   HXT    sing N N 177 
GLY N     CA     sing N N 178 
GLY N     H      sing N N 179 
GLY N     H2     sing N N 180 
GLY CA    C      sing N N 181 
GLY CA    HA2    sing N N 182 
GLY CA    HA3    sing N N 183 
GLY C     O      doub N N 184 
GLY C     OXT    sing N N 185 
GLY OXT   HXT    sing N N 186 
HIS N     CA     sing N N 187 
HIS N     H      sing N N 188 
HIS N     H2     sing N N 189 
HIS CA    C      sing N N 190 
HIS CA    CB     sing N N 191 
HIS CA    HA     sing N N 192 
HIS C     O      doub N N 193 
HIS C     OXT    sing N N 194 
HIS CB    CG     sing N N 195 
HIS CB    HB2    sing N N 196 
HIS CB    HB3    sing N N 197 
HIS CG    ND1    sing Y N 198 
HIS CG    CD2    doub Y N 199 
HIS ND1   CE1    doub Y N 200 
HIS ND1   HD1    sing N N 201 
HIS CD2   NE2    sing Y N 202 
HIS CD2   HD2    sing N N 203 
HIS CE1   NE2    sing Y N 204 
HIS CE1   HE1    sing N N 205 
HIS NE2   HE2    sing N N 206 
HIS OXT   HXT    sing N N 207 
HOH O     H1     sing N N 208 
HOH O     H2     sing N N 209 
ILE N     CA     sing N N 210 
ILE N     H      sing N N 211 
ILE N     H2     sing N N 212 
ILE CA    C      sing N N 213 
ILE CA    CB     sing N N 214 
ILE CA    HA     sing N N 215 
ILE C     O      doub N N 216 
ILE C     OXT    sing N N 217 
ILE CB    CG1    sing N N 218 
ILE CB    CG2    sing N N 219 
ILE CB    HB     sing N N 220 
ILE CG1   CD1    sing N N 221 
ILE CG1   HG12   sing N N 222 
ILE CG1   HG13   sing N N 223 
ILE CG2   HG21   sing N N 224 
ILE CG2   HG22   sing N N 225 
ILE CG2   HG23   sing N N 226 
ILE CD1   HD11   sing N N 227 
ILE CD1   HD12   sing N N 228 
ILE CD1   HD13   sing N N 229 
ILE OXT   HXT    sing N N 230 
LEU N     CA     sing N N 231 
LEU N     H      sing N N 232 
LEU N     H2     sing N N 233 
LEU CA    C      sing N N 234 
LEU CA    CB     sing N N 235 
LEU CA    HA     sing N N 236 
LEU C     O      doub N N 237 
LEU C     OXT    sing N N 238 
LEU CB    CG     sing N N 239 
LEU CB    HB2    sing N N 240 
LEU CB    HB3    sing N N 241 
LEU CG    CD1    sing N N 242 
LEU CG    CD2    sing N N 243 
LEU CG    HG     sing N N 244 
LEU CD1   HD11   sing N N 245 
LEU CD1   HD12   sing N N 246 
LEU CD1   HD13   sing N N 247 
LEU CD2   HD21   sing N N 248 
LEU CD2   HD22   sing N N 249 
LEU CD2   HD23   sing N N 250 
LEU OXT   HXT    sing N N 251 
LYS N     CA     sing N N 252 
LYS N     H      sing N N 253 
LYS N     H2     sing N N 254 
LYS CA    C      sing N N 255 
LYS CA    CB     sing N N 256 
LYS CA    HA     sing N N 257 
LYS C     O      doub N N 258 
LYS C     OXT    sing N N 259 
LYS CB    CG     sing N N 260 
LYS CB    HB2    sing N N 261 
LYS CB    HB3    sing N N 262 
LYS CG    CD     sing N N 263 
LYS CG    HG2    sing N N 264 
LYS CG    HG3    sing N N 265 
LYS CD    CE     sing N N 266 
LYS CD    HD2    sing N N 267 
LYS CD    HD3    sing N N 268 
LYS CE    NZ     sing N N 269 
LYS CE    HE2    sing N N 270 
LYS CE    HE3    sing N N 271 
LYS NZ    HZ1    sing N N 272 
LYS NZ    HZ2    sing N N 273 
LYS NZ    HZ3    sing N N 274 
LYS OXT   HXT    sing N N 275 
MET N     CA     sing N N 276 
MET N     H      sing N N 277 
MET N     H2     sing N N 278 
MET CA    C      sing N N 279 
MET CA    CB     sing N N 280 
MET CA    HA     sing N N 281 
MET C     O      doub N N 282 
MET C     OXT    sing N N 283 
MET CB    CG     sing N N 284 
MET CB    HB2    sing N N 285 
MET CB    HB3    sing N N 286 
MET CG    SD     sing N N 287 
MET CG    HG2    sing N N 288 
MET CG    HG3    sing N N 289 
MET SD    CE     sing N N 290 
MET CE    HE1    sing N N 291 
MET CE    HE2    sing N N 292 
MET CE    HE3    sing N N 293 
MET OXT   HXT    sing N N 294 
PHE N     CA     sing N N 295 
PHE N     H      sing N N 296 
PHE N     H2     sing N N 297 
PHE CA    C      sing N N 298 
PHE CA    CB     sing N N 299 
PHE CA    HA     sing N N 300 
PHE C     O      doub N N 301 
PHE C     OXT    sing N N 302 
PHE CB    CG     sing N N 303 
PHE CB    HB2    sing N N 304 
PHE CB    HB3    sing N N 305 
PHE CG    CD1    doub Y N 306 
PHE CG    CD2    sing Y N 307 
PHE CD1   CE1    sing Y N 308 
PHE CD1   HD1    sing N N 309 
PHE CD2   CE2    doub Y N 310 
PHE CD2   HD2    sing N N 311 
PHE CE1   CZ     doub Y N 312 
PHE CE1   HE1    sing N N 313 
PHE CE2   CZ     sing Y N 314 
PHE CE2   HE2    sing N N 315 
PHE CZ    HZ     sing N N 316 
PHE OXT   HXT    sing N N 317 
PRO N     CA     sing N N 318 
PRO N     CD     sing N N 319 
PRO N     H      sing N N 320 
PRO CA    C      sing N N 321 
PRO CA    CB     sing N N 322 
PRO CA    HA     sing N N 323 
PRO C     O      doub N N 324 
PRO C     OXT    sing N N 325 
PRO CB    CG     sing N N 326 
PRO CB    HB2    sing N N 327 
PRO CB    HB3    sing N N 328 
PRO CG    CD     sing N N 329 
PRO CG    HG2    sing N N 330 
PRO CG    HG3    sing N N 331 
PRO CD    HD2    sing N N 332 
PRO CD    HD3    sing N N 333 
PRO OXT   HXT    sing N N 334 
SER N     CA     sing N N 335 
SER N     H      sing N N 336 
SER N     H2     sing N N 337 
SER CA    C      sing N N 338 
SER CA    CB     sing N N 339 
SER CA    HA     sing N N 340 
SER C     O      doub N N 341 
SER C     OXT    sing N N 342 
SER CB    OG     sing N N 343 
SER CB    HB2    sing N N 344 
SER CB    HB3    sing N N 345 
SER OG    HG     sing N N 346 
SER OXT   HXT    sing N N 347 
THR N     CA     sing N N 348 
THR N     H      sing N N 349 
THR N     H2     sing N N 350 
THR CA    C      sing N N 351 
THR CA    CB     sing N N 352 
THR CA    HA     sing N N 353 
THR C     O      doub N N 354 
THR C     OXT    sing N N 355 
THR CB    OG1    sing N N 356 
THR CB    CG2    sing N N 357 
THR CB    HB     sing N N 358 
THR OG1   HG1    sing N N 359 
THR CG2   HG21   sing N N 360 
THR CG2   HG22   sing N N 361 
THR CG2   HG23   sing N N 362 
THR OXT   HXT    sing N N 363 
TRP N     CA     sing N N 364 
TRP N     H      sing N N 365 
TRP N     H2     sing N N 366 
TRP CA    C      sing N N 367 
TRP CA    CB     sing N N 368 
TRP CA    HA     sing N N 369 
TRP C     O      doub N N 370 
TRP C     OXT    sing N N 371 
TRP CB    CG     sing N N 372 
TRP CB    HB2    sing N N 373 
TRP CB    HB3    sing N N 374 
TRP CG    CD1    doub Y N 375 
TRP CG    CD2    sing Y N 376 
TRP CD1   NE1    sing Y N 377 
TRP CD1   HD1    sing N N 378 
TRP CD2   CE2    doub Y N 379 
TRP CD2   CE3    sing Y N 380 
TRP NE1   CE2    sing Y N 381 
TRP NE1   HE1    sing N N 382 
TRP CE2   CZ2    sing Y N 383 
TRP CE3   CZ3    doub Y N 384 
TRP CE3   HE3    sing N N 385 
TRP CZ2   CH2    doub Y N 386 
TRP CZ2   HZ2    sing N N 387 
TRP CZ3   CH2    sing Y N 388 
TRP CZ3   HZ3    sing N N 389 
TRP CH2   HH2    sing N N 390 
TRP OXT   HXT    sing N N 391 
TYR N     CA     sing N N 392 
TYR N     H      sing N N 393 
TYR N     H2     sing N N 394 
TYR CA    C      sing N N 395 
TYR CA    CB     sing N N 396 
TYR CA    HA     sing N N 397 
TYR C     O      doub N N 398 
TYR C     OXT    sing N N 399 
TYR CB    CG     sing N N 400 
TYR CB    HB2    sing N N 401 
TYR CB    HB3    sing N N 402 
TYR CG    CD1    doub Y N 403 
TYR CG    CD2    sing Y N 404 
TYR CD1   CE1    sing Y N 405 
TYR CD1   HD1    sing N N 406 
TYR CD2   CE2    doub Y N 407 
TYR CD2   HD2    sing N N 408 
TYR CE1   CZ     doub Y N 409 
TYR CE1   HE1    sing N N 410 
TYR CE2   CZ     sing Y N 411 
TYR CE2   HE2    sing N N 412 
TYR CZ    OH     sing N N 413 
TYR OH    HH     sing N N 414 
TYR OXT   HXT    sing N N 415 
VAL N     CA     sing N N 416 
VAL N     H      sing N N 417 
VAL N     H2     sing N N 418 
VAL CA    C      sing N N 419 
VAL CA    CB     sing N N 420 
VAL CA    HA     sing N N 421 
VAL C     O      doub N N 422 
VAL C     OXT    sing N N 423 
VAL CB    CG1    sing N N 424 
VAL CB    CG2    sing N N 425 
VAL CB    HB     sing N N 426 
VAL CG1   HG11   sing N N 427 
VAL CG1   HG12   sing N N 428 
VAL CG1   HG13   sing N N 429 
VAL CG2   HG21   sing N N 430 
VAL CG2   HG22   sing N N 431 
VAL CG2   HG23   sing N N 432 
VAL OXT   HXT    sing N N 433 
# 
_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                    9HSG 
_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]   0.019894 
_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]   0.014123 
_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]   0.008463 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
P ? ? 9.51135 5.44231 ? ? 1.42069  35.72801 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N     . SER A 1 38  ? -13.79071 -8.70736  -46.81589 1.000 97.84045  ? 615 SER A N     1 
ATOM   2    C CA    . SER A 1 38  ? -13.31363 -9.63121  -45.78320 1.000 96.26807  ? 615 SER A CA    1 
ATOM   3    C C     . SER A 1 38  ? -14.46564 -10.47228 -45.23469 1.000 94.36700  ? 615 SER A C     1 
ATOM   4    O O     . SER A 1 38  ? -15.55271 -9.94365  -45.00090 1.000 92.86716  ? 615 SER A O     1 
ATOM   5    C CB    . SER A 1 38  ? -12.63500 -8.86035  -44.64544 1.000 94.86634  ? 615 SER A CB    1 
ATOM   6    O OG    . SER A 1 38  ? -12.25011 -9.72256  -43.58510 1.000 93.81748  ? 615 SER A OG    1 
ATOM   7    N N     . LYS A 1 39  ? -14.23220 -11.77102 -45.02426 1.000 88.89611  ? 616 LYS A N     1 
ATOM   8    C CA    . LYS A 1 39  ? -15.29443 -12.64857 -44.54200 1.000 87.98340  ? 616 LYS A CA    1 
ATOM   9    C C     . LYS A 1 39  ? -15.70778 -12.27622 -43.11464 1.000 86.29648  ? 616 LYS A C     1 
ATOM   10   O O     . LYS A 1 39  ? -14.93743 -11.69446 -42.34040 1.000 86.43582  ? 616 LYS A O     1 
ATOM   11   C CB    . LYS A 1 39  ? -14.86033 -14.11561 -44.60552 1.000 89.75037  ? 616 LYS A CB    1 
ATOM   12   N N     . ASN A 1 40  ? -16.95196 -12.61797 -42.77596 1.000 69.56069  ? 617 ASN A N     1 
ATOM   13   C CA    . ASN A 1 40  ? -17.52159 -12.33673 -41.45999 1.000 67.48078  ? 617 ASN A CA    1 
ATOM   14   C C     . ASN A 1 40  ? -17.21155 -13.47388 -40.48644 1.000 67.69897  ? 617 ASN A C     1 
ATOM   15   O O     . ASN A 1 40  ? -17.41388 -14.64763 -40.80899 1.000 68.54051  ? 617 ASN A O     1 
ATOM   16   C CB    . ASN A 1 40  ? -19.03462 -12.13328 -41.57742 1.000 65.56457  ? 617 ASN A CB    1 
ATOM   17   C CG    . ASN A 1 40  ? -19.66937 -11.63431 -40.28852 1.000 63.27834  ? 617 ASN A CG    1 
ATOM   18   O OD1   . ASN A 1 40  ? -20.28143 -12.40266 -39.55536 1.000 62.51420  ? 617 ASN A OD1   1 
ATOM   19   N ND2   . ASN A 1 40  ? -19.53770 -10.33547 -40.01556 1.000 62.18673  ? 617 ASN A ND2   1 
ATOM   20   N N     . VAL A 1 41  ? -16.73145 -13.11670 -39.29471 1.000 52.03086  ? 618 VAL A N     1 
ATOM   21   C CA    . VAL A 1 41  ? -16.29017 -14.05898 -38.26996 1.000 51.65778  ? 618 VAL A CA    1 
ATOM   22   C C     . VAL A 1 41  ? -17.25556 -13.99028 -37.08869 1.000 49.84163  ? 618 VAL A C     1 
ATOM   23   O O     . VAL A 1 41  ? -17.58959 -12.89373 -36.62096 1.000 48.02568  ? 618 VAL A O     1 
ATOM   24   C CB    . VAL A 1 41  ? -14.85089 -13.73445 -37.83123 1.000 53.17189  ? 618 VAL A CB    1 
ATOM   25   C CG1   . VAL A 1 41  ? -14.41530 -14.65297 -36.73322 1.000 52.58724  ? 618 VAL A CG1   1 
ATOM   26   C CG2   . VAL A 1 41  ? -13.91541 -13.81255 -39.02282 1.000 55.22510  ? 618 VAL A CG2   1 
ATOM   27   N N     . VAL A 1 42  ? -17.70777 -15.14823 -36.59478 1.000 56.57191  ? 619 VAL A N     1 
ATOM   28   C CA    . VAL A 1 42  ? -18.68341 -15.18689 -35.50120 1.000 54.30691  ? 619 VAL A CA    1 
ATOM   29   C C     . VAL A 1 42  ? -17.96083 -15.40443 -34.17765 1.000 53.91220  ? 619 VAL A C     1 
ATOM   30   O O     . VAL A 1 42  ? -17.29032 -16.42346 -33.97671 1.000 55.67725  ? 619 VAL A O     1 
ATOM   31   C CB    . VAL A 1 42  ? -19.76309 -16.25658 -35.72170 1.000 53.77154  ? 619 VAL A CB    1 
ATOM   32   C CG1   . VAL A 1 42  ? -20.69789 -16.29478 -34.53902 1.000 51.69638  ? 619 VAL A CG1   1 
ATOM   33   C CG2   . VAL A 1 42  ? -20.52951 -15.94220 -36.96502 1.000 53.74385  ? 619 VAL A CG2   1 
ATOM   34   N N     . ILE A 1 43  ? -18.13240 -14.45345 -33.26754 1.000 47.40846  ? 620 ILE A N     1 
ATOM   35   C CA    . ILE A 1 43  ? -17.50349 -14.46421 -31.95323 1.000 47.50328  ? 620 ILE A CA    1 
ATOM   36   C C     . ILE A 1 43  ? -18.58774 -14.71146 -30.90699 1.000 45.66823  ? 620 ILE A C     1 
ATOM   37   O O     . ILE A 1 43  ? -19.69075 -14.16721 -31.00160 1.000 44.19266  ? 620 ILE A O     1 
ATOM   38   C CB    . ILE A 1 43  ? -16.75806 -13.13452 -31.68109 1.000 47.17254  ? 620 ILE A CB    1 
ATOM   39   C CG1   . ILE A 1 43  ? -15.85193 -12.75332 -32.86328 1.000 49.12719  ? 620 ILE A CG1   1 
ATOM   40   C CG2   . ILE A 1 43  ? -15.99682 -13.18130 -30.35316 1.000 46.24032  ? 620 ILE A CG2   1 
ATOM   41   C CD1   . ILE A 1 43  ? -14.70037 -13.69615 -33.07852 1.000 51.19941  ? 620 ILE A CD1   1 
ATOM   42   N N     . TYR A 1 44  ? -18.26121 -15.52801 -29.90596 1.000 48.33471  ? 621 TYR A N     1 
ATOM   43   C CA    . TYR A 1 44  ? -19.16518 -15.89671 -28.82335 1.000 47.54098  ? 621 TYR A CA    1 
ATOM   44   C C     . TYR A 1 44  ? -18.51699 -15.51966 -27.49587 1.000 47.94475  ? 621 TYR A C     1 
ATOM   45   O O     . TYR A 1 44  ? -17.51344 -16.12502 -27.09303 1.000 49.50525  ? 621 TYR A O     1 
ATOM   46   C CB    . TYR A 1 44  ? -19.47424 -17.39113 -28.88037 1.000 49.17205  ? 621 TYR A CB    1 
ATOM   47   C CG    . TYR A 1 44  ? -20.30388 -17.85844 -27.74388 1.000 49.39752  ? 621 TYR A CG    1 
ATOM   48   C CD1   . TYR A 1 44  ? -21.56152 -17.31744 -27.51875 1.000 47.71129  ? 621 TYR A CD1   1 
ATOM   49   C CD2   . TYR A 1 44  ? -19.83879 -18.82683 -26.87886 1.000 50.83928  ? 621 TYR A CD2   1 
ATOM   50   C CE1   . TYR A 1 44  ? -22.32524 -17.73059 -26.46235 1.000 47.58903  ? 621 TYR A CE1   1 
ATOM   51   C CE2   . TYR A 1 44  ? -20.59829 -19.24006 -25.80206 1.000 50.84781  ? 621 TYR A CE2   1 
ATOM   52   C CZ    . TYR A 1 44  ? -21.85379 -18.69563 -25.60403 1.000 49.31694  ? 621 TYR A CZ    1 
ATOM   53   O OH    . TYR A 1 44  ? -22.63588 -19.12221 -24.54637 1.000 49.49065  ? 621 TYR A OH    1 
ATOM   54   N N     . ALA A 1 45  ? -19.06569 -14.50964 -26.82834 1.000 53.55495  ? 622 ALA A N     1 
ATOM   55   C CA    . ALA A 1 45  ? -18.62415 -14.10642 -25.49310 1.000 53.91340  ? 622 ALA A CA    1 
ATOM   56   C C     . ALA A 1 45  ? -19.69706 -14.53776 -24.50501 1.000 55.00754  ? 622 ALA A C     1 
ATOM   57   O O     . ALA A 1 45  ? -20.83002 -14.04559 -24.56145 1.000 53.63587  ? 622 ALA A O     1 
ATOM   58   C CB    . ALA A 1 45  ? -18.39343 -12.60041 -25.40601 1.000 51.94269  ? 622 ALA A CB    1 
ATOM   59   N N     . ASP A 1 46  ? -19.36251 -15.46499 -23.62051 1.000 54.24749  ? 623 ASP A N     1 
ATOM   60   C CA    . ASP A 1 46  ? -20.29772 -15.87495 -22.59154 1.000 55.55582  ? 623 ASP A CA    1 
ATOM   61   C C     . ASP A 1 46  ? -19.87678 -15.28336 -21.25218 1.000 56.60430  ? 623 ASP A C     1 
ATOM   62   O O     . ASP A 1 46  ? -18.71028 -14.94646 -21.04179 1.000 56.61753  ? 623 ASP A O     1 
ATOM   63   C CB    . ASP A 1 46  ? -20.43054 -17.40473 -22.52147 1.000 56.78771  ? 623 ASP A CB    1 
ATOM   64   C CG    . ASP A 1 46  ? -19.09481 -18.12739 -22.39914 1.000 58.33122  ? 623 ASP A CG    1 
ATOM   65   O OD1   . ASP A 1 46  ? -18.03236 -17.48890 -22.29326 1.000 58.07478  ? 623 ASP A OD1   1 
ATOM   66   O OD2   . ASP A 1 46  ? -19.11193 -19.37167 -22.35261 1.000 59.39044  ? 623 ASP A OD2   1 
ATOM   67   N N     . GLY A 1 47  ? -20.85365 -15.10457 -20.37492 1.000 48.19534  ? 624 GLY A N     1 
ATOM   68   C CA    . GLY A 1 47  ? -20.61453 -14.51565 -19.06826 1.000 49.12108  ? 624 GLY A CA    1 
ATOM   69   C C     . GLY A 1 47  ? -21.88818 -14.50609 -18.25325 1.000 51.12475  ? 624 GLY A C     1 
ATOM   70   O O     . GLY A 1 47  ? -22.97770 -14.83055 -18.74119 1.000 50.59768  ? 624 GLY A O     1 
ATOM   71   N N     . VAL A 1 48  ? -21.73277 -14.15138 -16.98138 1.000 52.52767  ? 625 VAL A N     1 
ATOM   72   C CA    . VAL A 1 48  ? -22.90356 -13.85322 -16.16779 1.000 54.20704  ? 625 VAL A CA    1 
ATOM   73   C C     . VAL A 1 48  ? -23.49327 -12.50459 -16.55638 1.000 52.76206  ? 625 VAL A C     1 
ATOM   74   O O     . VAL A 1 48  ? -24.71852 -12.35397 -16.66068 1.000 52.40057  ? 625 VAL A O     1 
ATOM   75   C CB    . VAL A 1 48  ? -22.53236 -13.89061 -14.67834 1.000 55.92311  ? 625 VAL A CB    1 
ATOM   76   C CG1   . VAL A 1 48  ? -23.76767 -13.63779 -13.84090 1.000 57.81799  ? 625 VAL A CG1   1 
ATOM   77   C CG2   . VAL A 1 48  ? -21.89148 -15.22506 -14.33141 1.000 57.27792  ? 625 VAL A CG2   1 
ATOM   78   N N     . TYR A 1 49  ? -22.61669 -11.52200 -16.78328 1.000 56.37105  ? 626 TYR A N     1 
ATOM   79   C CA    . TYR A 1 49  ? -22.95238 -10.12055 -17.04893 1.000 54.57714  ? 626 TYR A CA    1 
ATOM   80   C C     . TYR A 1 49  ? -23.92913 -9.54351  -16.02235 1.000 55.97018  ? 626 TYR A C     1 
ATOM   81   O O     . TYR A 1 49  ? -24.87804 -8.83405  -16.35925 1.000 54.82788  ? 626 TYR A O     1 
ATOM   82   C CB    . TYR A 1 49  ? -23.46819 -9.95067  -18.47237 1.000 51.42175  ? 626 TYR A CB    1 
ATOM   83   C CG    . TYR A 1 49  ? -22.41336 -10.31392 -19.46915 1.000 50.21587  ? 626 TYR A CG    1 
ATOM   84   C CD1   . TYR A 1 49  ? -21.28252 -9.52340  -19.62585 1.000 49.42107  ? 626 TYR A CD1   1 
ATOM   85   C CD2   . TYR A 1 49  ? -22.52653 -11.45918 -20.23859 1.000 50.36978  ? 626 TYR A CD2   1 
ATOM   86   C CE1   . TYR A 1 49  ? -20.29955 -9.86885  -20.54465 1.000 47.97977  ? 626 TYR A CE1   1 
ATOM   87   C CE2   . TYR A 1 49  ? -21.55091 -11.81381 -21.14180 1.000 49.94215  ? 626 TYR A CE2   1 
ATOM   88   C CZ    . TYR A 1 49  ? -20.44858 -11.02015 -21.29495 1.000 48.40372  ? 626 TYR A CZ    1 
ATOM   89   O OH    . TYR A 1 49  ? -19.48610 -11.37855 -22.18850 1.000 47.34522  ? 626 TYR A OH    1 
ATOM   90   N N     . ASP A 1 50  ? -23.65926 -9.80992  -14.74872 1.000 62.72909  ? 627 ASP A N     1 
ATOM   91   C CA    . ASP A 1 50  ? -24.49398 -9.26777  -13.68216 1.000 64.21653  ? 627 ASP A CA    1 
ATOM   92   C C     . ASP A 1 50  ? -24.20751 -7.77989  -13.48452 1.000 63.35867  ? 627 ASP A C     1 
ATOM   93   O O     . ASP A 1 50  ? -23.04909 -7.35403  -13.51863 1.000 62.75666  ? 627 ASP A O     1 
ATOM   94   C CB    . ASP A 1 50  ? -24.24788 -10.03674 -12.38025 1.000 66.95424  ? 627 ASP A CB    1 
ATOM   95   C CG    . ASP A 1 50  ? -25.35816 -9.86242  -11.38076 1.000 69.44858  ? 627 ASP A CG    1 
ATOM   96   O OD1   . ASP A 1 50  ? -26.39443 -9.28587  -11.75724 1.000 69.12024  ? 627 ASP A OD1   1 
ATOM   97   O OD2   . ASP A 1 50  ? -25.19548 -10.29191 -10.22038 1.000 71.72972  ? 627 ASP A OD2   1 
ATOM   98   N N     . MET A 1 51  ? -25.26944 -6.98785  -13.28913 1.000 73.91001  ? 628 MET A N     1 
ATOM   99   C CA    . MET A 1 51  ? -25.16271 -5.56371  -12.95203 1.000 73.30146  ? 628 MET A CA    1 
ATOM   100  C C     . MET A 1 51  ? -24.16769 -4.84787  -13.86842 1.000 71.31321  ? 628 MET A C     1 
ATOM   101  O O     . MET A 1 51  ? -23.17166 -4.27243  -13.41768 1.000 72.05292  ? 628 MET A O     1 
ATOM   102  C CB    . MET A 1 51  ? -24.76035 -5.37336  -11.48447 1.000 75.78355  ? 628 MET A CB    1 
ATOM   103  C CG    . MET A 1 51  ? -25.68303 -5.98990  -10.44455 1.000 78.56516  ? 628 MET A CG    1 
ATOM   104  S SD    . MET A 1 51  ? -25.17725 -5.61296  -8.72460  1.000 82.97096  ? 628 MET A SD    1 
ATOM   105  C CE    . MET A 1 51  ? -23.54607 -6.37872  -8.60971  1.000 82.24336  ? 628 MET A CE    1 
ATOM   106  N N     . LEU A 1 52  ? -24.48339 -4.86465  -15.16789 1.000 55.98949  ? 629 LEU A N     1 
ATOM   107  C CA    . LEU A 1 52  ? -23.51292 -4.55340  -16.21873 1.000 54.07586  ? 629 LEU A CA    1 
ATOM   108  C C     . LEU A 1 52  ? -22.77470 -3.24941  -15.95692 1.000 55.21453  ? 629 LEU A C     1 
ATOM   109  O O     . LEU A 1 52  ? -23.37396 -2.23584  -15.58427 1.000 57.02187  ? 629 LEU A O     1 
ATOM   110  C CB    . LEU A 1 52  ? -24.20147 -4.47600  -17.58150 1.000 51.27723  ? 629 LEU A CB    1 
ATOM   111  C CG    . LEU A 1 52  ? -23.25269 -4.77645  -18.75019 1.000 49.63250  ? 629 LEU A CG    1 
ATOM   112  C CD1   . LEU A 1 52  ? -22.99888 -6.27542  -18.87318 1.000 49.17708  ? 629 LEU A CD1   1 
ATOM   113  C CD2   . LEU A 1 52  ? -23.74072 -4.19920  -20.07763 1.000 48.39424  ? 629 LEU A CD2   1 
ATOM   114  N N     . HIS A 1 53  ? -21.45785 -3.27934  -16.16769 1.000 59.94386  ? 630 HIS A N     1 
ATOM   115  C CA    . HIS A 1 53  ? -20.62845 -2.11831  -15.89106 1.000 60.70398  ? 630 HIS A CA    1 
ATOM   116  C C     . HIS A 1 53  ? -19.58756 -1.93886  -16.99049 1.000 59.27891  ? 630 HIS A C     1 
ATOM   117  O O     . HIS A 1 53  ? -19.54154 -2.69560  -17.96348 1.000 57.85093  ? 630 HIS A O     1 
ATOM   118  C CB    . HIS A 1 53  ? -19.99218 -2.22494  -14.49571 1.000 63.07042  ? 630 HIS A CB    1 
ATOM   119  C CG    . HIS A 1 53  ? -19.09429 -3.41368  -14.30266 1.000 63.35380  ? 630 HIS A CG    1 
ATOM   120  N ND1   . HIS A 1 53  ? -18.07679 -3.74022  -15.17417 1.000 61.93233  ? 630 HIS A ND1   1 
ATOM   121  C CD2   . HIS A 1 53  ? -19.03202 -4.32140  -13.29988 1.000 65.40281  ? 630 HIS A CD2   1 
ATOM   122  C CE1   . HIS A 1 53  ? -17.44096 -4.80771  -14.72655 1.000 62.89123  ? 630 HIS A CE1   1 
ATOM   123  N NE2   . HIS A 1 53  ? -18.00123 -5.18103  -13.59042 1.000 65.23541  ? 630 HIS A NE2   1 
ATOM   124  N N     . LEU A 1 54  ? -18.73344 -0.92510  -16.80799 1.000 59.07535  ? 631 LEU A N     1 
ATOM   125  C CA    . LEU A 1 54  ? -17.80090 -0.50682  -17.85250 1.000 59.59118  ? 631 LEU A CA    1 
ATOM   126  C C     . LEU A 1 54  ? -16.82704 -1.61249  -18.24745 1.000 58.97991  ? 631 LEU A C     1 
ATOM   127  O O     . LEU A 1 54  ? -16.44743 -1.69651  -19.41804 1.000 59.02005  ? 631 LEU A O     1 
ATOM   128  C CB    . LEU A 1 54  ? -17.02503 0.73403   -17.40877 1.000 61.33142  ? 631 LEU A CB    1 
ATOM   129  C CG    . LEU A 1 54  ? -16.15486 1.35747   -18.50524 1.000 62.73265  ? 631 LEU A CG    1 
ATOM   130  C CD1   . LEU A 1 54  ? -17.04944 1.88872   -19.62949 1.000 63.10654  ? 631 LEU A CD1   1 
ATOM   131  C CD2   . LEU A 1 54  ? -15.24645 2.43543   -17.96877 1.000 63.22520  ? 631 LEU A CD2   1 
ATOM   132  N N     . GLY A 1 55  ? -16.41205 -2.46545  -17.30391 1.000 55.82514  ? 632 GLY A N     1 
ATOM   133  C CA    . GLY A 1 55  ? -15.55025 -3.59191  -17.66067 1.000 55.07578  ? 632 GLY A CA    1 
ATOM   134  C C     . GLY A 1 55  ? -16.18223 -4.55586  -18.66023 1.000 54.26089  ? 632 GLY A C     1 
ATOM   135  O O     . GLY A 1 55  ? -15.54110 -4.97727  -19.63074 1.000 53.40766  ? 632 GLY A O     1 
ATOM   136  N N     . HIS A 1 56  ? -17.45741 -4.91299  -18.44284 1.000 56.22564  ? 633 HIS A N     1 
ATOM   137  C CA    . HIS A 1 56  ? -18.15814 -5.77606  -19.39400 1.000 54.63281  ? 633 HIS A CA    1 
ATOM   138  C C     . HIS A 1 56  ? -18.31972 -5.09144  -20.73791 1.000 55.00944  ? 633 HIS A C     1 
ATOM   139  O O     . HIS A 1 56  ? -18.16217 -5.72547  -21.79175 1.000 53.72034  ? 633 HIS A O     1 
ATOM   140  C CB    . HIS A 1 56  ? -19.54315 -6.16245  -18.88288 1.000 54.38723  ? 633 HIS A CB    1 
ATOM   141  C CG    . HIS A 1 56  ? -19.57322 -6.67615  -17.48242 1.000 55.94649  ? 633 HIS A CG    1 
ATOM   142  N ND1   . HIS A 1 56  ? -20.18400 -5.98587  -16.45489 1.000 56.84634  ? 633 HIS A ND1   1 
ATOM   143  C CD2   . HIS A 1 56  ? -19.10265 -7.82503  -16.94159 1.000 55.84469  ? 633 HIS A CD2   1 
ATOM   144  C CE1   . HIS A 1 56  ? -20.08148 -6.68850  -15.34117 1.000 57.73022  ? 633 HIS A CE1   1 
ATOM   145  N NE2   . HIS A 1 56  ? -19.43013 -7.80535  -15.60966 1.000 57.25125  ? 633 HIS A NE2   1 
ATOM   146  N N     . MET A 1 57  ? -18.68640 -3.80805  -20.71464 1.000 51.26707  ? 634 MET A N     1 
ATOM   147  C CA    . MET A 1 57  ? -18.84442 -3.07154  -21.95810 1.000 52.63631  ? 634 MET A CA    1 
ATOM   148  C C     . MET A 1 57  ? -17.54570 -3.08032  -22.75241 1.000 53.28414  ? 634 MET A C     1 
ATOM   149  O O     . MET A 1 57  ? -17.55111 -3.34063  -23.96274 1.000 53.39547  ? 634 MET A O     1 
ATOM   150  C CB    . MET A 1 57  ? -19.30540 -1.64779  -21.66315 1.000 54.73633  ? 634 MET A CB    1 
ATOM   151  C CG    . MET A 1 57  ? -20.77554 -1.54022  -21.24030 1.000 54.60690  ? 634 MET A CG    1 
ATOM   152  S SD    . MET A 1 57  ? -21.16021 -0.01500  -20.33596 1.000 55.12586  ? 634 MET A SD    1 
ATOM   153  C CE    . MET A 1 57  ? -22.59088 -0.55269  -19.40665 1.000 54.69071  ? 634 MET A CE    1 
ATOM   154  N N     . LYS A 1 58  ? -16.41418 -2.85849  -22.07873 1.000 53.14159  ? 635 LYS A N     1 
ATOM   155  C CA    . LYS A 1 58  ? -15.14599 -2.82850  -22.79356 1.000 54.29567  ? 635 LYS A CA    1 
ATOM   156  C C     . LYS A 1 58  ? -14.77322 -4.21115  -23.30790 1.000 52.38960  ? 635 LYS A C     1 
ATOM   157  O O     . LYS A 1 58  ? -14.18580 -4.32991  -24.39212 1.000 52.64420  ? 635 LYS A O     1 
ATOM   158  C CB    . LYS A 1 58  ? -14.06704 -2.24080  -21.88868 1.000 54.84862  ? 635 LYS A CB    1 
ATOM   159  C CG    . LYS A 1 58  ? -14.36632 -0.79782  -21.52097 1.000 56.36166  ? 635 LYS A CG    1 
ATOM   160  C CD    . LYS A 1 58  ? -13.42470 -0.23715  -20.45978 1.000 56.91392  ? 635 LYS A CD    1 
ATOM   161  C CE    . LYS A 1 58  ? -12.04559 0.05135   -21.01575 1.000 58.23926  ? 635 LYS A CE    1 
ATOM   162  N NZ    . LYS A 1 58  ? -11.48065 1.22200   -20.27841 1.000 59.95780  ? 635 LYS A NZ    1 
ATOM   163  N N     . GLN A 1 59  ? -15.16234 -5.26358  -22.57762 1.000 51.60487  ? 636 GLN A N     1 
ATOM   164  C CA    . GLN A 1 59  ? -14.94034 -6.62401  -23.05971 1.000 50.34168  ? 636 GLN A CA    1 
ATOM   165  C C     . GLN A 1 59  ? -15.75297 -6.90378  -24.31126 1.000 49.59869  ? 636 GLN A C     1 
ATOM   166  O O     . GLN A 1 59  ? -15.22742 -7.43540  -25.29787 1.000 50.29993  ? 636 GLN A O     1 
ATOM   167  C CB    . GLN A 1 59  ? -15.28148 -7.65254  -21.97628 1.000 49.14304  ? 636 GLN A CB    1 
ATOM   168  C CG    . GLN A 1 59  ? -14.75567 -9.06752  -22.27077 1.000 48.61229  ? 636 GLN A CG    1 
ATOM   169  C CD    . GLN A 1 59  ? -15.81118 -10.04839 -22.80526 1.000 48.48241  ? 636 GLN A CD    1 
ATOM   170  O OE1   . GLN A 1 59  ? -17.01694 -9.91715  -22.53683 1.000 47.83940  ? 636 GLN A OE1   1 
ATOM   171  N NE2   . GLN A 1 59  ? -15.34615 -11.04723 -23.56670 1.000 48.27324  ? 636 GLN A NE2   1 
ATOM   172  N N     . LEU A 1 60  ? -17.04915 -6.58987  -24.27209 1.000 51.21360  ? 637 LEU A N     1 
ATOM   173  C CA    . LEU A 1 60  ? -17.89807 -6.84210  -25.43074 1.000 50.93257  ? 637 LEU A CA    1 
ATOM   174  C C     . LEU A 1 60  ? -17.40827 -6.04566  -26.63482 1.000 52.44074  ? 637 LEU A C     1 
ATOM   175  O O     . LEU A 1 60  ? -17.33876 -6.56936  -27.75363 1.000 52.21576  ? 637 LEU A O     1 
ATOM   176  C CB    . LEU A 1 60  ? -19.35383 -6.51011  -25.09488 1.000 50.38477  ? 637 LEU A CB    1 
ATOM   177  C CG    . LEU A 1 60  ? -19.91553 -7.35653  -23.95531 1.000 50.03274  ? 637 LEU A CG    1 
ATOM   178  C CD1   . LEU A 1 60  ? -21.22988 -6.78719  -23.48086 1.000 50.92242  ? 637 LEU A CD1   1 
ATOM   179  C CD2   . LEU A 1 60  ? -20.09315 -8.81612  -24.38363 1.000 49.27363  ? 637 LEU A CD2   1 
ATOM   180  N N     . GLU A 1 61  ? -17.03458 -4.78700  -26.41331 1.000 47.86790  ? 638 GLU A N     1 
ATOM   181  C CA    . GLU A 1 61  ? -16.37271 -4.02235  -27.45682 1.000 50.83142  ? 638 GLU A CA    1 
ATOM   182  C C     . GLU A 1 61  ? -15.12218 -4.75352  -27.96469 1.000 50.57756  ? 638 GLU A C     1 
ATOM   183  O O     . GLU A 1 61  ? -14.90797 -4.85431  -29.18101 1.000 51.72849  ? 638 GLU A O     1 
ATOM   184  C CB    . GLU A 1 61  ? -16.02663 -2.62216  -26.93706 1.000 53.27424  ? 638 GLU A CB    1 
ATOM   185  C CG    . GLU A 1 61  ? -15.47050 -1.73595  -28.01927 1.000 55.75359  ? 638 GLU A CG    1 
ATOM   186  C CD    . GLU A 1 61  ? -14.82642 -0.48974  -27.50876 1.000 56.58389  ? 638 GLU A CD    1 
ATOM   187  O OE1   . GLU A 1 61  ? -14.62480 -0.38285  -26.28515 1.000 56.19812  ? 638 GLU A OE1   1 
ATOM   188  O OE2   . GLU A 1 61  ? -14.52762 0.39043   -28.34325 1.000 57.88787  ? 638 GLU A OE2   1 
ATOM   189  N N     . GLN A 1 62  ? -14.29429 -5.28330  -27.05007 1.000 57.57860  ? 639 GLN A N     1 
ATOM   190  C CA    . GLN A 1 62  ? -13.08858 -5.99876  -27.48016 1.000 58.10736  ? 639 GLN A CA    1 
ATOM   191  C C     . GLN A 1 62  ? -13.43707 -7.17914  -28.37348 1.000 56.79294  ? 639 GLN A C     1 
ATOM   192  O O     . GLN A 1 62  ? -12.86281 -7.34729  -29.45713 1.000 57.76008  ? 639 GLN A O     1 
ATOM   193  C CB    . GLN A 1 62  ? -12.28622 -6.50468  -26.28274 1.000 56.66519  ? 639 GLN A CB    1 
ATOM   194  C CG    . GLN A 1 62  ? -11.27591 -5.56038  -25.71259 1.000 58.05140  ? 639 GLN A CG    1 
ATOM   195  C CD    . GLN A 1 62  ? -10.74600 -6.10442  -24.40188 1.000 58.03922  ? 639 GLN A CD    1 
ATOM   196  O OE1   . GLN A 1 62  ? -9.79472  -6.90727  -24.37353 1.000 57.78845  ? 639 GLN A OE1   1 
ATOM   197  N NE2   . GLN A 1 62  ? -11.38948 -5.70703  -23.29985 1.000 57.60342  ? 639 GLN A NE2   1 
ATOM   198  N N     . ALA A 1 63  ? -14.37032 -8.01770  -27.91640 1.000 47.99607  ? 640 ALA A N     1 
ATOM   199  C CA    . ALA A 1 63  ? -14.75973 -9.19956  -28.67377 1.000 47.25883  ? 640 ALA A CA    1 
ATOM   200  C C     . ALA A 1 63  ? -15.27742 -8.81792  -30.05593 1.000 48.81850  ? 640 ALA A C     1 
ATOM   201  O O     . ALA A 1 63  ? -14.75426 -9.27741  -31.07699 1.000 50.04243  ? 640 ALA A O     1 
ATOM   202  C CB    . ALA A 1 63  ? -15.81374 -9.98055  -27.89099 1.000 46.21604  ? 640 ALA A CB    1 
ATOM   203  N N     . LYS A 1 64  ? -16.31148 -7.96661  -30.09698 1.000 47.22476  ? 641 LYS A N     1 
ATOM   204  C CA    . LYS A 1 64  ? -16.87877 -7.43054  -31.33251 1.000 48.48261  ? 641 LYS A CA    1 
ATOM   205  C C     . LYS A 1 64  ? -15.81892 -6.97495  -32.32764 1.000 51.88270  ? 641 LYS A C     1 
ATOM   206  O O     . LYS A 1 64  ? -15.97434 -7.15748  -33.53998 1.000 53.28082  ? 641 LYS A O     1 
ATOM   207  C CB    . LYS A 1 64  ? -17.80760 -6.25322  -31.01582 1.000 48.77720  ? 641 LYS A CB    1 
ATOM   208  C CG    . LYS A 1 64  ? -18.27068 -5.48253  -32.24431 1.000 50.75341  ? 641 LYS A CG    1 
ATOM   209  C CD    . LYS A 1 64  ? -19.22314 -6.33156  -33.05886 1.000 49.93819  ? 641 LYS A CD    1 
ATOM   210  C CE    . LYS A 1 64  ? -19.44116 -5.79103  -34.44512 1.000 51.75745  ? 641 LYS A CE    1 
ATOM   211  N NZ    . LYS A 1 64  ? -20.31130 -6.73051  -35.19084 1.000 50.85714  ? 641 LYS A NZ    1 
ATOM   212  N N     . LYS A 1 65  ? -14.74105 -6.37174  -31.81272 1.000 59.98936  ? 642 LYS A N     1 
ATOM   213  C CA    . LYS A 1 65  ? -13.65510 -5.81399  -32.60832 1.000 62.14329  ? 642 LYS A CA    1 
ATOM   214  C C     . LYS A 1 65  ? -12.46503 -6.75993  -32.75345 1.000 62.22618  ? 642 LYS A C     1 
ATOM   215  O O     . LYS A 1 65  ? -11.33178 -6.29335  -32.90262 1.000 63.09469  ? 642 LYS A O     1 
ATOM   216  C CB    . LYS A 1 65  ? -13.18305 -4.49550  -32.00038 1.000 63.11248  ? 642 LYS A CB    1 
ATOM   217  C CG    . LYS A 1 65  ? -14.09865 -3.33269  -32.22411 1.000 64.04043  ? 642 LYS A CG    1 
ATOM   218  C CD    . LYS A 1 65  ? -13.83375 -2.26144  -31.19743 1.000 63.89172  ? 642 LYS A CD    1 
ATOM   219  C CE    . LYS A 1 65  ? -14.78681 -1.09633  -31.36042 1.000 63.90432  ? 642 LYS A CE    1 
ATOM   220  N NZ    . LYS A 1 65  ? -14.45448 -0.32537  -32.56107 1.000 65.41690  ? 642 LYS A NZ    1 
ATOM   221  N N     . LEU A 1 66  ? -12.67760 -8.07415  -32.70654 1.000 51.73429  ? 643 LEU A N     1 
ATOM   222  C CA    . LEU A 1 66  ? -11.54257 -8.96862  -32.92066 1.000 51.85869  ? 643 LEU A CA    1 
ATOM   223  C C     . LEU A 1 66  ? -11.17040 -9.07203  -34.39645 1.000 53.87565  ? 643 LEU A C     1 
ATOM   224  O O     . LEU A 1 66  ? -10.02875 -9.41683  -34.71170 1.000 54.31588  ? 643 LEU A O     1 
ATOM   225  C CB    . LEU A 1 66  ? -11.84301 -10.36030 -32.35248 1.000 50.19347  ? 643 LEU A CB    1 
ATOM   226  C CG    . LEU A 1 66  ? -11.82597 -10.51138 -30.82542 1.000 48.41612  ? 643 LEU A CG    1 
ATOM   227  C CD1   . LEU A 1 66  ? -12.66189 -11.71475 -30.38359 1.000 46.76813  ? 643 LEU A CD1   1 
ATOM   228  C CD2   . LEU A 1 66  ? -10.39834 -10.63321 -30.30745 1.000 48.57096  ? 643 LEU A CD2   1 
ATOM   229  N N     . PHE A 1 67  ? -12.11159 -8.79260  -35.29929 1.000 66.58060  ? 644 PHE A N     1 
ATOM   230  C CA    . PHE A 1 67  ? -11.89297 -8.90245  -36.73544 1.000 67.77676  ? 644 PHE A CA    1 
ATOM   231  C C     . PHE A 1 67  ? -12.74770 -7.84494  -37.41603 1.000 68.92485  ? 644 PHE A C     1 
ATOM   232  O O     . PHE A 1 67  ? -13.84762 -7.53865  -36.95121 1.000 68.71037  ? 644 PHE A O     1 
ATOM   233  C CB    . PHE A 1 67  ? -12.24212 -10.30616 -37.27816 1.000 67.24457  ? 644 PHE A CB    1 
ATOM   234  C CG    . PHE A 1 67  ? -11.45782 -11.43211 -36.63913 1.000 66.19039  ? 644 PHE A CG    1 
ATOM   235  C CD1   . PHE A 1 67  ? -10.17688 -11.73507 -37.05962 1.000 67.04889  ? 644 PHE A CD1   1 
ATOM   236  C CD2   . PHE A 1 67  ? -12.00570 -12.19067 -35.61479 1.000 64.69177  ? 644 PHE A CD2   1 
ATOM   237  C CE1   . PHE A 1 67  ? -9.44543  -12.77239 -36.47115 1.000 66.36509  ? 644 PHE A CE1   1 
ATOM   238  C CE2   . PHE A 1 67  ? -11.27562 -13.23576 -35.02122 1.000 63.86421  ? 644 PHE A CE2   1 
ATOM   239  C CZ    . PHE A 1 67  ? -9.99229  -13.51703 -35.45420 1.000 64.89722  ? 644 PHE A CZ    1 
ATOM   240  N N     . GLU A 1 68  ? -12.22685 -7.28733  -38.51723 1.000 58.06716  ? 645 GLU A N     1 
ATOM   241  C CA    . GLU A 1 68  ? -12.92312 -6.23394  -39.25256 1.000 58.97963  ? 645 GLU A CA    1 
ATOM   242  C C     . GLU A 1 68  ? -14.42717 -6.47639  -39.33572 1.000 57.97334  ? 645 GLU A C     1 
ATOM   243  O O     . GLU A 1 68  ? -15.22040 -5.58657  -39.02154 1.000 57.56104  ? 645 GLU A O     1 
ATOM   244  C CB    . GLU A 1 68  ? -12.33173 -6.09258  -40.66071 1.000 60.68333  ? 645 GLU A CB    1 
ATOM   245  N N     . ASN A 1 69  ? -14.84539 -7.68038  -39.72494 1.000 70.45464  ? 646 ASN A N     1 
ATOM   246  C CA    . ASN A 1 69  ? -16.26081 -7.99457  -39.89551 1.000 68.95912  ? 646 ASN A CA    1 
ATOM   247  C C     . ASN A 1 69  ? -16.64351 -9.18113  -39.02886 1.000 67.57316  ? 646 ASN A C     1 
ATOM   248  O O     . ASN A 1 69  ? -16.18099 -10.30325 -39.26527 1.000 67.35514  ? 646 ASN A O     1 
ATOM   249  C CB    . ASN A 1 69  ? -16.58929 -8.29415  -41.35146 1.000 69.50236  ? 646 ASN A CB    1 
ATOM   250  C CG    . ASN A 1 69  ? -16.31837 -7.11952  -42.24908 1.000 71.09766  ? 646 ASN A CG    1 
ATOM   251  O OD1   . ASN A 1 69  ? -16.98172 -6.08363  -42.13210 1.000 71.43566  ? 646 ASN A OD1   1 
ATOM   252  N ND2   . ASN A 1 69  ? -15.34048 -7.26073  -43.15992 1.000 73.00990  ? 646 ASN A ND2   1 
ATOM   253  N N     . THR A 1 70  ? -17.52660 -8.93628  -38.06181 1.000 55.59613  ? 647 THR A N     1 
ATOM   254  C CA    . THR A 1 70  ? -17.94074 -9.93308  -37.08490 1.000 53.77320  ? 647 THR A CA    1 
ATOM   255  C C     . THR A 1 70  ? -19.45080 -9.90537  -36.83580 1.000 51.75551  ? 647 THR A C     1 
ATOM   256  O O     . THR A 1 70  ? -20.15286 -8.92404  -37.11370 1.000 51.30029  ? 647 THR A O     1 
ATOM   257  C CB    . THR A 1 70  ? -17.26945 -9.72023  -35.73022 1.000 52.64720  ? 647 THR A CB    1 
ATOM   258  O OG1   . THR A 1 70  ? -17.77608 -8.51332  -35.15905 1.000 51.90274  ? 647 THR A OG1   1 
ATOM   259  C CG2   . THR A 1 70  ? -15.78566 -9.62608  -35.86935 1.000 54.53189  ? 647 THR A CG2   1 
ATOM   260  N N     . THR A 1 71  ? -19.91796 -11.01383 -36.26450 1.000 60.99063  ? 648 THR A N     1 
ATOM   261  C CA    . THR A 1 71  ? -21.15402 -11.09293 -35.50369 1.000 58.28288  ? 648 THR A CA    1 
ATOM   262  C C     . THR A 1 71  ? -20.79243 -11.45295 -34.06803 1.000 57.30007  ? 648 THR A C     1 
ATOM   263  O O     . THR A 1 71  ? -20.22861 -12.52495 -33.82237 1.000 58.27826  ? 648 THR A O     1 
ATOM   264  C CB    . THR A 1 71  ? -22.08862 -12.15280 -36.08609 1.000 57.85229  ? 648 THR A CB    1 
ATOM   265  O OG1   . THR A 1 71  ? -22.39845 -11.84023 -37.45231 1.000 59.17489  ? 648 THR A OG1   1 
ATOM   266  C CG2   . THR A 1 71  ? -23.36249 -12.28202 -35.23677 1.000 55.57524  ? 648 THR A CG2   1 
ATOM   267  N N     . LEU A 1 72  ? -21.09907 -10.56592 -33.12634 1.000 46.21155  ? 649 LEU A N     1 
ATOM   268  C CA    . LEU A 1 72  ? -20.92685 -10.87079 -31.71476 1.000 45.36845  ? 649 LEU A CA    1 
ATOM   269  C C     . LEU A 1 72  ? -22.19773 -11.51819 -31.16587 1.000 45.30270  ? 649 LEU A C     1 
ATOM   270  O O     . LEU A 1 72  ? -23.26573 -10.88189 -31.12298 1.000 43.90997  ? 649 LEU A O     1 
ATOM   271  C CB    . LEU A 1 72  ? -20.58711 -9.62055  -30.92097 1.000 44.82781  ? 649 LEU A CB    1 
ATOM   272  C CG    . LEU A 1 72  ? -20.39253 -9.95162  -29.44375 1.000 44.51033  ? 649 LEU A CG    1 
ATOM   273  C CD1   . LEU A 1 72  ? -19.38428 -11.09449 -29.24836 1.000 44.67892  ? 649 LEU A CD1   1 
ATOM   274  C CD2   . LEU A 1 72  ? -19.93778 -8.73500  -28.67747 1.000 44.00362  ? 649 LEU A CD2   1 
ATOM   275  N N     . ILE A 1 73  ? -22.08000 -12.78536 -30.75969 1.000 45.78391  ? 650 ILE A N     1 
ATOM   276  C CA    . ILE A 1 73  ? -23.10933 -13.48171 -30.00735 1.000 45.86134  ? 650 ILE A CA    1 
ATOM   277  C C     . ILE A 1 73  ? -22.71510 -13.44286 -28.53815 1.000 46.83796  ? 650 ILE A C     1 
ATOM   278  O O     . ILE A 1 73  ? -21.55760 -13.69814 -28.19881 1.000 47.09798  ? 650 ILE A O     1 
ATOM   279  C CB    . ILE A 1 73  ? -23.27770 -14.93236 -30.49718 1.000 46.68960  ? 650 ILE A CB    1 
ATOM   280  C CG1   . ILE A 1 73  ? -23.36367 -14.99423 -32.02290 1.000 45.80700  ? 650 ILE A CG1   1 
ATOM   281  C CG2   . ILE A 1 73  ? -24.53191 -15.54316 -29.89563 1.000 46.90830  ? 650 ILE A CG2   1 
ATOM   282  C CD1   . ILE A 1 73  ? -23.82305 -16.32466 -32.53642 1.000 46.59812  ? 650 ILE A CD1   1 
ATOM   283  N N     . VAL A 1 74  ? -23.66065 -13.11848 -27.66257 1.000 46.35171  ? 651 VAL A N     1 
ATOM   284  C CA    . VAL A 1 74  ? -23.40622 -13.02845 -26.22923 1.000 47.47000  ? 651 VAL A CA    1 
ATOM   285  C C     . VAL A 1 74  ? -24.32191 -14.02857 -25.54420 1.000 50.15389  ? 651 VAL A C     1 
ATOM   286  O O     . VAL A 1 74  ? -25.54088 -13.99093 -25.73601 1.000 49.51531  ? 651 VAL A O     1 
ATOM   287  C CB    . VAL A 1 74  ? -23.64602 -11.60746 -25.68422 1.000 46.08978  ? 651 VAL A CB    1 
ATOM   288  C CG1   . VAL A 1 74  ? -23.24217 -11.50896 -24.21377 1.000 46.20953  ? 651 VAL A CG1   1 
ATOM   289  C CG2   . VAL A 1 74  ? -22.93767 -10.57674 -26.51925 1.000 44.41869  ? 651 VAL A CG2   1 
ATOM   290  N N     . GLY A 1 75  ? -23.73449 -14.92159 -24.74521 1.000 50.85130  ? 652 GLY A N     1 
ATOM   291  C CA    . GLY A 1 75  ? -24.49529 -15.87310 -23.95516 1.000 52.09869  ? 652 GLY A CA    1 
ATOM   292  C C     . GLY A 1 75  ? -24.57527 -15.41100 -22.50348 1.000 53.37292  ? 652 GLY A C     1 
ATOM   293  O O     . GLY A 1 75  ? -23.58184 -14.96552 -21.93030 1.000 52.27423  ? 652 GLY A O     1 
ATOM   294  N N     . VAL A 1 76  ? -25.77169 -15.51690 -21.93575 1.000 53.47541  ? 653 VAL A N     1 
ATOM   295  C CA    . VAL A 1 76  ? -26.03765 -15.10795 -20.56312 1.000 54.29264  ? 653 VAL A CA    1 
ATOM   296  C C     . VAL A 1 76  ? -26.36663 -16.35288 -19.75240 1.000 55.86917  ? 653 VAL A C     1 
ATOM   297  O O     . VAL A 1 76  ? -27.18391 -17.18254 -20.17474 1.000 55.67704  ? 653 VAL A O     1 
ATOM   298  C CB    . VAL A 1 76  ? -27.18400 -14.08562 -20.49630 1.000 52.59076  ? 653 VAL A CB    1 
ATOM   299  C CG1   . VAL A 1 76  ? -27.05051 -13.22127 -19.25629 1.000 52.78173  ? 653 VAL A CG1   1 
ATOM   300  C CG2   . VAL A 1 76  ? -27.22478 -13.24282 -21.75687 1.000 49.87214  ? 653 VAL A CG2   1 
ATOM   301  N N     . THR A 1 77  ? -25.75689 -16.47280 -18.58106 1.000 52.45360  ? 654 THR A N     1 
ATOM   302  C CA    . THR A 1 77  ? -25.89868 -17.68470 -17.79029 1.000 53.75065  ? 654 THR A CA    1 
ATOM   303  C C     . THR A 1 77  ? -27.20060 -17.68713 -16.98209 1.000 54.99998  ? 654 THR A C     1 
ATOM   304  O O     . THR A 1 77  ? -27.64905 -16.65774 -16.46791 1.000 55.03327  ? 654 THR A O     1 
ATOM   305  C CB    . THR A 1 77  ? -24.68589 -17.84884 -16.87288 1.000 53.39578  ? 654 THR A CB    1 
ATOM   306  O OG1   . THR A 1 77  ? -24.54297 -16.68289 -16.06333 1.000 53.19197  ? 654 THR A OG1   1 
ATOM   307  C CG2   . THR A 1 77  ? -23.44303 -17.97949 -17.70071 1.000 52.30043  ? 654 THR A CG2   1 
ATOM   308  N N     . SER A 1 78  ? -27.80074 -18.87212 -16.86960 1.000 64.07591  ? 655 SER A N     1 
ATOM   309  C CA    . SER A 1 78  ? -29.06295 -19.01472 -16.15625 1.000 65.07566  ? 655 SER A CA    1 
ATOM   310  C C     . SER A 1 78  ? -28.88265 -18.69040 -14.67938 1.000 66.05579  ? 655 SER A C     1 
ATOM   311  O O     . SER A 1 78  ? -27.79710 -18.85742 -14.11594 1.000 65.57444  ? 655 SER A O     1 
ATOM   312  C CB    . SER A 1 78  ? -29.62058 -20.42984 -16.31473 1.000 65.14973  ? 655 SER A CB    1 
ATOM   313  O OG    . SER A 1 78  ? -28.89532 -21.36164 -15.52643 1.000 65.73093  ? 655 SER A OG    1 
ATOM   314  N N     . ASP A 1 79  ? -29.96790 -18.20360 -14.06104 1.000 88.16131  ? 656 ASP A N     1 
ATOM   315  C CA    . ASP A 1 79  ? -29.94295 -17.86491 -12.63927 1.000 88.34448  ? 656 ASP A CA    1 
ATOM   316  C C     . ASP A 1 79  ? -29.56599 -19.07373 -11.80219 1.000 89.20897  ? 656 ASP A C     1 
ATOM   317  O O     . ASP A 1 79  ? -28.72735 -18.98583 -10.89856 1.000 89.53768  ? 656 ASP A O     1 
ATOM   318  C CB    . ASP A 1 79  ? -31.30565 -17.33109 -12.20138 1.000 88.59682  ? 656 ASP A CB    1 
ATOM   319  C CG    . ASP A 1 79  ? -31.61391 -15.97612 -12.78713 1.000 88.06605  ? 656 ASP A CG    1 
ATOM   320  O OD1   . ASP A 1 79  ? -30.76894 -15.07195 -12.64235 1.000 87.52109  ? 656 ASP A OD1   1 
ATOM   321  O OD2   . ASP A 1 79  ? -32.69467 -15.81332 -13.39901 1.000 87.42299  ? 656 ASP A OD2   1 
ATOM   322  N N     . ASN A 1 80  ? -30.19179 -20.21454 -12.08755 1.000 85.62825  ? 657 ASN A N     1 
ATOM   323  C CA    . ASN A 1 80  ? -29.88747 -21.44173 -11.36932 1.000 86.62685  ? 657 ASN A CA    1 
ATOM   324  C C     . ASN A 1 80  ? -28.39825 -21.76916 -11.43222 1.000 86.59161  ? 657 ASN A C     1 
ATOM   325  O O     . ASN A 1 80  ? -27.72077 -21.85364 -10.40262 1.000 86.67593  ? 657 ASN A O     1 
ATOM   326  C CB    . ASN A 1 80  ? -30.71842 -22.58084 -11.94884 1.000 86.56661  ? 657 ASN A CB    1 
ATOM   327  C CG    . ASN A 1 80  ? -31.64402 -23.18614 -10.92785 1.000 88.95396  ? 657 ASN A CG    1 
ATOM   328  O OD1   . ASN A 1 80  ? -31.48955 -22.95486 -9.71922  1.000 89.98257  ? 657 ASN A OD1   1 
ATOM   329  N ND2   . ASN A 1 80  ? -32.61321 -23.97978 -11.39311 1.000 89.12370  ? 657 ASN A ND2   1 
ATOM   330  N N     . GLU A 1 81  ? -27.87048 -21.93726 -12.64890 1.000 78.46676  ? 658 GLU A N     1 
ATOM   331  C CA    . GLU A 1 81  ? -26.49074 -22.38567 -12.81690 1.000 78.31744  ? 658 GLU A CA    1 
ATOM   332  C C     . GLU A 1 81  ? -25.49914 -21.40341 -12.21943 1.000 77.78448  ? 658 GLU A C     1 
ATOM   333  O O     . GLU A 1 81  ? -24.51940 -21.80851 -11.58357 1.000 78.16963  ? 658 GLU A O     1 
ATOM   334  C CB    . GLU A 1 81  ? -26.18021 -22.58941 -14.29412 1.000 77.24387  ? 658 GLU A CB    1 
ATOM   335  C CG    . GLU A 1 81  ? -26.15080 -24.02874 -14.72628 1.000 77.14367  ? 658 GLU A CG    1 
ATOM   336  C CD    . GLU A 1 81  ? -26.35028 -24.15513 -16.20686 1.000 76.02907  ? 658 GLU A CD    1 
ATOM   337  O OE1   . GLU A 1 81  ? -27.08008 -23.31824 -16.77371 1.000 76.29992  ? 658 GLU A OE1   1 
ATOM   338  O OE2   . GLU A 1 81  ? -25.76379 -25.06289 -16.81875 1.000 75.98874  ? 658 GLU A OE2   1 
ATOM   339  N N     . THR A 1 82  ? -25.71048 -20.11093 -12.44088 1.000 76.17850  ? 659 THR A N     1 
ATOM   340  C CA    . THR A 1 82  ? -24.79172 -19.13389 -11.87992 1.000 75.39252  ? 659 THR A CA    1 
ATOM   341  C C     . THR A 1 82  ? -24.71960 -19.26577 -10.36793 1.000 76.38535  ? 659 THR A C     1 
ATOM   342  O O     . THR A 1 82  ? -23.62884 -19.35973 -9.79621  1.000 76.45242  ? 659 THR A O     1 
ATOM   343  C CB    . THR A 1 82  ? -25.21178 -17.72601 -12.26489 1.000 74.82705  ? 659 THR A CB    1 
ATOM   344  O OG1   . THR A 1 82  ? -25.02494 -17.54043 -13.67342 1.000 73.90612  ? 659 THR A OG1   1 
ATOM   345  C CG2   . THR A 1 82  ? -24.37725 -16.72137 -11.49079 1.000 74.43114  ? 659 THR A CG2   1 
ATOM   346  N N     . LYS A 1 83  ? -25.88009 -19.28848 -9.70233  1.000 74.74820  ? 660 LYS A N     1 
ATOM   347  C CA    . LYS A 1 83  ? -25.90875 -19.45691 -8.25285  1.000 75.50346  ? 660 LYS A CA    1 
ATOM   348  C C     . LYS A 1 83  ? -25.29938 -20.78488 -7.83125  1.000 76.59914  ? 660 LYS A C     1 
ATOM   349  O O     . LYS A 1 83  ? -24.81817 -20.90961 -6.69946  1.000 77.45110  ? 660 LYS A O     1 
ATOM   350  C CB    . LYS A 1 83  ? -27.34698 -19.34193 -7.73354  1.000 76.06790  ? 660 LYS A CB    1 
ATOM   351  N N     . LEU A 1 84  ? -25.28212 -21.76281 -8.73082  1.000 91.82126  ? 661 LEU A N     1 
ATOM   352  C CA    . LEU A 1 84  ? -24.78264 -23.09206 -8.42720  1.000 92.93042  ? 661 LEU A CA    1 
ATOM   353  C C     . LEU A 1 84  ? -23.27837 -23.22015 -8.61720  1.000 92.78860  ? 661 LEU A C     1 
ATOM   354  O O     . LEU A 1 84  ? -22.63073 -23.95144 -7.85472  1.000 93.98911  ? 661 LEU A O     1 
ATOM   355  C CB    . LEU A 1 84  ? -25.50734 -24.11422 -9.30287  1.000 93.18890  ? 661 LEU A CB    1 
ATOM   356  C CG    . LEU A 1 84  ? -25.20238 -25.58015 -9.03470  1.000 95.22318  ? 661 LEU A CG    1 
ATOM   357  C CD1   . LEU A 1 84  ? -26.49540 -26.37060 -8.95966  1.000 95.98458  ? 661 LEU A CD1   1 
ATOM   358  C CD2   . LEU A 1 84  ? -24.30963 -26.11348 -10.12946 1.000 94.45612  ? 661 LEU A CD2   1 
ATOM   359  N N     . PHE A 1 85  ? -22.70642 -22.52317 -9.60675  1.000 83.83390  ? 662 PHE A N     1 
ATOM   360  C CA    . PHE A 1 85  ? -21.28929 -22.65183 -9.93468  1.000 83.19661  ? 662 PHE A CA    1 
ATOM   361  C C     . PHE A 1 85  ? -20.43580 -21.49024 -9.44861  1.000 82.25276  ? 662 PHE A C     1 
ATOM   362  O O     . PHE A 1 85  ? -19.35239 -21.71648 -8.90512  1.000 82.85201  ? 662 PHE A O     1 
ATOM   363  C CB    . PHE A 1 85  ? -21.10428 -22.80886 -11.44231 1.000 82.44473  ? 662 PHE A CB    1 
ATOM   364  C CG    . PHE A 1 85  ? -21.53332 -24.13524 -11.95146 1.000 83.40538  ? 662 PHE A CG    1 
ATOM   365  C CD1   . PHE A 1 85  ? -20.91984 -25.29289 -11.48806 1.000 84.74824  ? 662 PHE A CD1   1 
ATOM   366  C CD2   . PHE A 1 85  ? -22.55232 -24.23919 -12.87597 1.000 83.07437  ? 662 PHE A CD2   1 
ATOM   367  C CE1   . PHE A 1 85  ? -21.31052 -26.54047 -11.93678 1.000 85.69337  ? 662 PHE A CE1   1 
ATOM   368  C CE2   . PHE A 1 85  ? -22.95415 -25.47841 -13.33608 1.000 83.82370  ? 662 PHE A CE2   1 
ATOM   369  C CZ    . PHE A 1 85  ? -22.32789 -26.63953 -12.86448 1.000 85.47694  ? 662 PHE A CZ    1 
ATOM   370  N N     . LYS A 1 86  ? -20.88469 -20.25120 -9.63306  1.000 68.25644  ? 663 LYS A N     1 
ATOM   371  C CA    . LYS A 1 86  ? -20.10944 -19.07608 -9.24536  1.000 67.65521  ? 663 LYS A CA    1 
ATOM   372  C C     . LYS A 1 86  ? -20.56652 -18.51088 -7.90403  1.000 70.17302  ? 663 LYS A C     1 
ATOM   373  O O     . LYS A 1 86  ? -19.77866 -18.44375 -6.95381  1.000 73.61535  ? 663 LYS A O     1 
ATOM   374  C CB    . LYS A 1 86  ? -20.20643 -18.01160 -10.34183 1.000 64.26007  ? 663 LYS A CB    1 
ATOM   375  C CG    . LYS A 1 86  ? -19.22739 -16.86981 -10.21768 1.000 62.49604  ? 663 LYS A CG    1 
ATOM   376  C CD    . LYS A 1 86  ? -19.32209 -15.99189 -11.45615 1.000 60.02280  ? 663 LYS A CD    1 
ATOM   377  C CE    . LYS A 1 86  ? -18.35618 -14.82727 -11.42147 1.000 58.42390  ? 663 LYS A CE    1 
ATOM   378  N NZ    . LYS A 1 86  ? -18.38707 -14.10254 -12.71443 1.000 56.86693  ? 663 LYS A NZ    1 
ATOM   379  N N     . GLY A 1 87  ? -21.82418 -18.09591 -7.80897  1.000 84.52087  ? 664 GLY A N     1 
ATOM   380  C CA    . GLY A 1 87  ? -22.33980 -17.58841 -6.55243  1.000 85.85201  ? 664 GLY A CA    1 
ATOM   381  C C     . GLY A 1 87  ? -23.59340 -16.75537 -6.76524  1.000 85.62919  ? 664 GLY A C     1 
ATOM   382  O O     . GLY A 1 87  ? -24.24449 -16.83951 -7.80285  1.000 85.23220  ? 664 GLY A O     1 
ATOM   383  N N     . GLN A 1 88  ? -23.90619 -15.95816 -5.74415  1.000 88.94543  ? 665 GLN A N     1 
ATOM   384  C CA    . GLN A 1 88  ? -25.12590 -15.16450 -5.74981  1.000 89.17540  ? 665 GLN A CA    1 
ATOM   385  C C     . GLN A 1 88  ? -25.10859 -14.18068 -6.90887  1.000 87.46621  ? 665 GLN A C     1 
ATOM   386  O O     . GLN A 1 88  ? -24.15946 -13.40984 -7.07377  1.000 86.00543  ? 665 GLN A O     1 
ATOM   387  C CB    . GLN A 1 88  ? -25.27718 -14.42312 -4.41786  1.000 89.73099  ? 665 GLN A CB    1 
ATOM   388  N N     . VAL A 1 89  ? -26.14879 -14.23223 -7.72640  1.000 68.96180  ? 666 VAL A N     1 
ATOM   389  C CA    . VAL A 1 89  ? -26.37135 -13.24468 -8.77452  1.000 67.36805  ? 666 VAL A CA    1 
ATOM   390  C C     . VAL A 1 89  ? -27.35021 -12.20291 -8.24410  1.000 66.69809  ? 666 VAL A C     1 
ATOM   391  O O     . VAL A 1 89  ? -28.20584 -12.49823 -7.40735  1.000 67.73105  ? 666 VAL A O     1 
ATOM   392  C CB    . VAL A 1 89  ? -26.88530 -13.90977 -10.06721 1.000 67.61420  ? 666 VAL A CB    1 
ATOM   393  C CG1   . VAL A 1 89  ? -28.38922 -14.12886 -10.00568 1.000 68.54493  ? 666 VAL A CG1   1 
ATOM   394  C CG2   . VAL A 1 89  ? -26.50377 -13.08744 -11.25818 1.000 65.96768  ? 666 VAL A CG2   1 
ATOM   395  N N     . VAL A 1 90  ? -27.20364 -10.96386 -8.70160  1.000 69.13315  ? 667 VAL A N     1 
ATOM   396  C CA    . VAL A 1 90  ? -28.05525 -9.87479  -8.22593  1.000 68.50503  ? 667 VAL A CA    1 
ATOM   397  C C     . VAL A 1 90  ? -29.28906 -9.72693  -9.08942  1.000 68.45869  ? 667 VAL A C     1 
ATOM   398  O O     . VAL A 1 90  ? -30.41525 -9.67944  -8.58935  1.000 69.20883  ? 667 VAL A O     1 
ATOM   399  C CB    . VAL A 1 90  ? -27.26632 -8.55138  -8.17769  1.000 67.37016  ? 667 VAL A CB    1 
ATOM   400  C CG1   . VAL A 1 90  ? -28.22470 -7.36414  -8.07323  1.000 66.44552  ? 667 VAL A CG1   1 
ATOM   401  C CG2   . VAL A 1 90  ? -26.31678 -8.56820  -7.01607  1.000 68.53181  ? 667 VAL A CG2   1 
ATOM   402  N N     . GLN A 1 91  ? -29.09878 -9.62793  -10.39072 1.000 66.93691  ? 668 GLN A N     1 
ATOM   403  C CA    . GLN A 1 91  ? -30.22323 -9.48432  -11.29133 1.000 66.26894  ? 668 GLN A CA    1 
ATOM   404  C C     . GLN A 1 91  ? -30.58555 -10.82019 -11.90687 1.000 67.37664  ? 668 GLN A C     1 
ATOM   405  O O     . GLN A 1 91  ? -29.74886 -11.71763 -12.05040 1.000 68.04738  ? 668 GLN A O     1 
ATOM   406  C CB    . GLN A 1 91  ? -29.92159 -8.48075  -12.38984 1.000 64.85463  ? 668 GLN A CB    1 
ATOM   407  C CG    . GLN A 1 91  ? -29.60909 -7.10205  -11.87618 1.000 64.61028  ? 668 GLN A CG    1 
ATOM   408  C CD    . GLN A 1 91  ? -29.23410 -6.19396  -13.00650 1.000 63.49929  ? 668 GLN A CD    1 
ATOM   409  O OE1   . GLN A 1 91  ? -28.31139 -6.49073  -13.77741 1.000 62.67436  ? 668 GLN A OE1   1 
ATOM   410  N NE2   . GLN A 1 91  ? -29.96792 -5.09581  -13.14857 1.000 63.68692  ? 668 GLN A NE2   1 
ATOM   411  N N     . THR A 1 92  ? -31.85795 -10.93138 -12.26273 1.000 56.74875  ? 669 THR A N     1 
ATOM   412  C CA    . THR A 1 92  ? -32.39682 -12.13121 -12.87086 1.000 57.77779  ? 669 THR A CA    1 
ATOM   413  C C     . THR A 1 92  ? -31.94331 -12.23551 -14.31854 1.000 56.81622  ? 669 THR A C     1 
ATOM   414  O O     . THR A 1 92  ? -31.50592 -11.26377 -14.93889 1.000 55.03988  ? 669 THR A O     1 
ATOM   415  C CB    . THR A 1 92  ? -33.91647 -12.11171 -12.84108 1.000 56.97123  ? 669 THR A CB    1 
ATOM   416  O OG1   . THR A 1 92  ? -34.36106 -11.08377 -13.73344 1.000 55.29779  ? 669 THR A OG1   1 
ATOM   417  C CG2   . THR A 1 92  ? -34.41163 -11.80968 -11.44722 1.000 57.38532  ? 669 THR A CG2   1 
ATOM   418  N N     . LEU A 1 93  ? -32.08168 -13.44130 -14.86327 1.000 59.71165  ? 670 LEU A N     1 
ATOM   419  C CA    . LEU A 1 93  ? -31.74250 -13.64212 -16.25916 1.000 58.17970  ? 670 LEU A CA    1 
ATOM   420  C C     . LEU A 1 93  ? -32.45992 -12.62703 -17.12973 1.000 59.55500  ? 670 LEU A C     1 
ATOM   421  O O     . LEU A 1 93  ? -31.85329 -12.02986 -18.01981 1.000 57.45155  ? 670 LEU A O     1 
ATOM   422  C CB    . LEU A 1 93  ? -32.08067 -15.07020 -16.67893 1.000 57.39254  ? 670 LEU A CB    1 
ATOM   423  C CG    . LEU A 1 93  ? -31.65718 -15.46066 -18.09113 1.000 54.38099  ? 670 LEU A CG    1 
ATOM   424  C CD1   . LEU A 1 93  ? -30.15151 -15.52861 -18.20099 1.000 51.47906  ? 670 LEU A CD1   1 
ATOM   425  C CD2   . LEU A 1 93  ? -32.28424 -16.78762 -18.45288 1.000 54.91396  ? 670 LEU A CD2   1 
ATOM   426  N N     . GLU A 1 94  ? -33.73844 -12.37255 -16.85228 1.000 80.63496  ? 671 GLU A N     1 
ATOM   427  C CA    . GLU A 1 94  ? -34.46873 -11.38026 -17.63458 1.000 83.31812  ? 671 GLU A CA    1 
ATOM   428  C C     . GLU A 1 94  ? -33.79932 -10.01040 -17.56065 1.000 82.48198  ? 671 GLU A C     1 
ATOM   429  O O     . GLU A 1 94  ? -33.64230 -9.32812  -18.58096 1.000 82.40104  ? 671 GLU A O     1 
ATOM   430  C CB    . GLU A 1 94  ? -35.91871 -11.29872 -17.16268 1.000 87.87029  ? 671 GLU A CB    1 
ATOM   431  C CG    . GLU A 1 94  ? -36.79870 -12.43474 -17.67761 1.000 90.42370  ? 671 GLU A CG    1 
ATOM   432  C CD    . GLU A 1 94  ? -36.31932 -13.82626 -17.23513 1.000 87.67622  ? 671 GLU A CD    1 
ATOM   433  O OE1   . GLU A 1 94  ? -35.97094 -14.00426 -16.03884 1.000 86.28583  ? 671 GLU A OE1   1 
ATOM   434  O OE2   . GLU A 1 94  ? -36.27754 -14.73765 -18.09584 1.000 86.68349  ? 671 GLU A OE2   1 
ATOM   435  N N     . GLU A 1 95  ? -33.36909 -9.60539  -16.36905 1.000 60.39543  ? 672 GLU A N     1 
ATOM   436  C CA    . GLU A 1 95  ? -32.79609 -8.27515  -16.20537 1.000 60.17428  ? 672 GLU A CA    1 
ATOM   437  C C     . GLU A 1 95  ? -31.41404 -8.17638  -16.85292 1.000 56.97156  ? 672 GLU A C     1 
ATOM   438  O O     . GLU A 1 95  ? -31.12639 -7.22065  -17.59279 1.000 56.34569  ? 672 GLU A O     1 
ATOM   439  C CB    . GLU A 1 95  ? -32.74979 -7.92703  -14.72226 1.000 60.56949  ? 672 GLU A CB    1 
ATOM   440  C CG    . GLU A 1 95  ? -34.14281 -7.75698  -14.13013 1.000 64.47487  ? 672 GLU A CG    1 
ATOM   441  C CD    . GLU A 1 95  ? -34.12955 -7.63751  -12.62155 1.000 64.96982  ? 672 GLU A CD    1 
ATOM   442  O OE1   . GLU A 1 95  ? -33.14068 -8.08631  -12.00292 1.000 63.62151  ? 672 GLU A OE1   1 
ATOM   443  O OE2   . GLU A 1 95  ? -35.10077 -7.08497  -12.04820 1.000 67.55492  ? 672 GLU A OE2   1 
ATOM   444  N N     . ARG A 1 96  ? -30.55147 -9.17101  -16.60554 1.000 68.29453  ? 673 ARG A N     1 
ATOM   445  C CA    . ARG A 1 96  ? -29.23178 -9.18447  -17.22955 1.000 64.45247  ? 673 ARG A CA    1 
ATOM   446  C C     . ARG A 1 96  ? -29.32768 -9.25500  -18.74844 1.000 64.00876  ? 673 ARG A C     1 
ATOM   447  O O     . ARG A 1 96  ? -28.49132 -8.67513  -19.44969 1.000 62.48349  ? 673 ARG A O     1 
ATOM   448  C CB    . ARG A 1 96  ? -28.40611 -10.35448 -16.69385 1.000 62.57786  ? 673 ARG A CB    1 
ATOM   449  C CG    . ARG A 1 96  ? -28.19046 -10.31762 -15.19342 1.000 63.81975  ? 673 ARG A CG    1 
ATOM   450  C CD    . ARG A 1 96  ? -27.35876 -11.48816 -14.68045 1.000 62.43329  ? 673 ARG A CD    1 
ATOM   451  N NE    . ARG A 1 96  ? -28.16379 -12.64631 -14.30317 1.000 63.85064  ? 673 ARG A NE    1 
ATOM   452  C CZ    . ARG A 1 96  ? -28.15509 -13.80963 -14.94185 1.000 62.67284  ? 673 ARG A CZ    1 
ATOM   453  N NH1   . ARG A 1 96  ? -27.43794 -13.99145 -16.03565 1.000 60.33347  ? 673 ARG A NH1   1 
ATOM   454  N NH2   . ARG A 1 96  ? -28.87287 -14.82109 -14.46244 1.000 64.56481  ? 673 ARG A NH2   1 
ATOM   455  N N     . THR A 1 97  ? -30.33464 -9.94595  -19.27961 1.000 53.92416  ? 674 THR A N     1 
ATOM   456  C CA    . THR A 1 97  ? -30.44948 -10.05097 -20.72662 1.000 52.86855  ? 674 THR A CA    1 
ATOM   457  C C     . THR A 1 97  ? -30.99875 -8.77357  -21.35470 1.000 55.37799  ? 674 THR A C     1 
ATOM   458  O O     . THR A 1 97  ? -30.60449 -8.42611  -22.47740 1.000 53.72740  ? 674 THR A O     1 
ATOM   459  C CB    . THR A 1 97  ? -31.32100 -11.24623 -21.10212 1.000 53.21009  ? 674 THR A CB    1 
ATOM   460  O OG1   . THR A 1 97  ? -30.82426 -12.41580 -20.44953 1.000 51.54193  ? 674 THR A OG1   1 
ATOM   461  C CG2   . THR A 1 97  ? -31.28250 -11.49646 -22.58512 1.000 51.87129  ? 674 THR A CG2   1 
ATOM   462  N N     . GLU A 1 98  ? -31.87568 -8.04521  -20.66092 1.000 61.51862  ? 675 GLU A N     1 
ATOM   463  C CA    . GLU A 1 98  ? -32.45301 -6.88209  -21.31592 1.000 64.32957  ? 675 GLU A CA    1 
ATOM   464  C C     . GLU A 1 98  ? -31.43780 -5.76023  -21.45947 1.000 63.24557  ? 675 GLU A C     1 
ATOM   465  O O     . GLU A 1 98  ? -31.50506 -4.97714  -22.41821 1.000 63.64454  ? 675 GLU A O     1 
ATOM   466  C CB    . GLU A 1 98  ? -33.68200 -6.38380  -20.57163 1.000 68.35479  ? 675 GLU A CB    1 
ATOM   467  C CG    . GLU A 1 98  ? -34.60618 -5.63888  -21.50327 1.000 71.09070  ? 675 GLU A CG    1 
ATOM   468  C CD    . GLU A 1 98  ? -35.84990 -5.19077  -20.81718 1.000 76.33261  ? 675 GLU A CD    1 
ATOM   469  O OE1   . GLU A 1 98  ? -35.87731 -5.24486  -19.57184 1.000 78.02577  ? 675 GLU A OE1   1 
ATOM   470  O OE2   . GLU A 1 98  ? -36.80482 -4.78899  -21.51352 1.000 78.61421  ? 675 GLU A OE2   1 
ATOM   471  N N     . THR A 1 99  ? -30.49425 -5.66258  -20.52882 1.000 62.42219  ? 676 THR A N     1 
ATOM   472  C CA    . THR A 1 99  ? -29.49306 -4.61408  -20.62847 1.000 60.95947  ? 676 THR A CA    1 
ATOM   473  C C     . THR A 1 99  ? -28.56948 -4.86916  -21.81170 1.000 58.13894  ? 676 THR A C     1 
ATOM   474  O O     . THR A 1 99  ? -28.30434 -3.96329  -22.61011 1.000 58.82864  ? 676 THR A O     1 
ATOM   475  C CB    . THR A 1 99  ? -28.71936 -4.53196  -19.31843 1.000 60.11726  ? 676 THR A CB    1 
ATOM   476  O OG1   . THR A 1 99  ? -29.63124 -4.74702  -18.24476 1.000 61.82213  ? 676 THR A OG1   1 
ATOM   477  C CG2   . THR A 1 99  ? -28.09879 -3.17566  -19.14707 1.000 60.19060  ? 676 THR A CG2   1 
ATOM   478  N N     . LEU A 1 100 ? -28.10180 -6.11367  -21.96062 1.000 58.11111  ? 677 LEU A N     1 
ATOM   479  C CA    . LEU A 1 100 ? -27.25223 -6.46022  -23.09237 1.000 55.58397  ? 677 LEU A CA    1 
ATOM   480  C C     . LEU A 1 100 ? -27.88536 -6.04551  -24.40364 1.000 57.08788  ? 677 LEU A C     1 
ATOM   481  O O     . LEU A 1 100 ? -27.17767 -5.74240  -25.36225 1.000 56.07210  ? 677 LEU A O     1 
ATOM   482  C CB    . LEU A 1 100 ? -26.96791 -7.96138  -23.10770 1.000 53.15200  ? 677 LEU A CB    1 
ATOM   483  C CG    . LEU A 1 100 ? -26.12097 -8.45199  -21.93664 1.000 52.13335  ? 677 LEU A CG    1 
ATOM   484  C CD1   . LEU A 1 100 ? -26.02194 -9.95843  -21.99992 1.000 50.13713  ? 677 LEU A CD1   1 
ATOM   485  C CD2   . LEU A 1 100 ? -24.73886 -7.80912  -21.96967 1.000 50.71372  ? 677 LEU A CD2   1 
ATOM   486  N N     . LYS A 1 101 ? -29.21505 -6.01353  -24.45850 1.000 62.28930  ? 678 LYS A N     1 
ATOM   487  C CA    . LYS A 1 101 ? -29.92306 -5.59875  -25.66031 1.000 63.92499  ? 678 LYS A CA    1 
ATOM   488  C C     . LYS A 1 101 ? -29.64907 -4.13476  -25.99327 1.000 65.15400  ? 678 LYS A C     1 
ATOM   489  O O     . LYS A 1 101 ? -29.72317 -3.75241  -27.16520 1.000 64.20414  ? 678 LYS A O     1 
ATOM   490  C CB    . LYS A 1 101 ? -31.42482 -5.87675  -25.47832 1.000 66.42728  ? 678 LYS A CB    1 
ATOM   491  C CG    . LYS A 1 101 ? -32.35551 -5.15802  -26.43614 1.000 68.58612  ? 678 LYS A CG    1 
ATOM   492  C CD    . LYS A 1 101 ? -33.80652 -5.11249  -25.91284 1.000 72.43355  ? 678 LYS A CD    1 
ATOM   493  C CE    . LYS A 1 101 ? -34.63050 -4.06067  -26.67361 1.000 73.80765  ? 678 LYS A CE    1 
ATOM   494  N NZ    . LYS A 1 101 ? -35.97409 -3.78095  -26.08473 1.000 77.41733  ? 678 LYS A NZ    1 
ATOM   495  N N     . HIS A 1 102 ? -29.27293 -3.32231  -25.00339 1.000 48.87966  ? 679 HIS A N     1 
ATOM   496  C CA    . HIS A 1 102 ? -29.00333 -1.90498  -25.21582 1.000 49.36098  ? 679 HIS A CA    1 
ATOM   497  C C     . HIS A 1 102 ? -27.52705 -1.57960  -25.51997 1.000 47.20896  ? 679 HIS A C     1 
ATOM   498  O O     . HIS A 1 102 ? -27.17232 -0.40197  -25.57765 1.000 47.87711  ? 679 HIS A O     1 
ATOM   499  C CB    . HIS A 1 102 ? -29.48977 -1.10629  -23.99385 1.000 51.32082  ? 679 HIS A CB    1 
ATOM   500  C CG    . HIS A 1 102 ? -30.98066 -1.04604  -23.88333 1.000 53.73327  ? 679 HIS A CG    1 
ATOM   501  N ND1   . HIS A 1 102 ? -31.75851 -0.31543  -24.75425 1.000 54.22958  ? 679 HIS A ND1   1 
ATOM   502  C CD2   . HIS A 1 102 ? -31.83981 -1.65859  -23.03493 1.000 55.63194  ? 679 HIS A CD2   1 
ATOM   503  C CE1   . HIS A 1 102 ? -33.03160 -0.47297  -24.44215 1.000 56.49996  ? 679 HIS A CE1   1 
ATOM   504  N NE2   . HIS A 1 102 ? -33.10752 -1.28210  -23.40146 1.000 57.79678  ? 679 HIS A NE2   1 
ATOM   505  N N     . ILE A 1 103 ? -26.66367 -2.57328  -25.73906 1.000 48.54925  ? 680 ILE A N     1 
ATOM   506  C CA    . ILE A 1 103 ? -25.22760 -2.32703  -25.89040 1.000 47.70692  ? 680 ILE A CA    1 
ATOM   507  C C     . ILE A 1 103 ? -24.82687 -2.41451  -27.36221 1.000 46.24527  ? 680 ILE A C     1 
ATOM   508  O O     . ILE A 1 103 ? -25.15540 -3.38175  -28.05303 1.000 44.68574  ? 680 ILE A O     1 
ATOM   509  C CB    . ILE A 1 103 ? -24.41161 -3.29501  -25.02484 1.000 47.03884  ? 680 ILE A CB    1 
ATOM   510  C CG1   . ILE A 1 103 ? -24.68602 -3.01776  -23.54550 1.000 47.65453  ? 680 ILE A CG1   1 
ATOM   511  C CG2   . ILE A 1 103 ? -22.90939 -3.20780  -25.37246 1.000 46.33778  ? 680 ILE A CG2   1 
ATOM   512  C CD1   . ILE A 1 103 ? -24.36539 -1.59569  -23.10700 1.000 48.22178  ? 680 ILE A CD1   1 
ATOM   513  N N     . ARG A 1 104 ? -24.08930 -1.40750  -27.82693 1.000 59.77545  ? 681 ARG A N     1 
ATOM   514  C CA    . ARG A 1 104 ? -23.78138 -1.24678  -29.24337 1.000 58.64687  ? 681 ARG A CA    1 
ATOM   515  C C     . ARG A 1 104 ? -23.05848 -2.45097  -29.84601 1.000 57.58678  ? 681 ARG A C     1 
ATOM   516  O O     . ARG A 1 104 ? -23.23492 -2.73643  -31.04104 1.000 55.85855  ? 681 ARG A O     1 
ATOM   517  C CB    . ARG A 1 104 ? -22.93800 0.01532   -29.41996 1.000 59.75452  ? 681 ARG A CB    1 
ATOM   518  C CG    . ARG A 1 104 ? -22.34353 0.18377   -30.79192 1.000 59.28999  ? 681 ARG A CG    1 
ATOM   519  C CD    . ARG A 1 104 ? -21.23378 1.19667   -30.79189 1.000 60.72012  ? 681 ARG A CD    1 
ATOM   520  N NE    . ARG A 1 104 ? -21.59076 2.40054   -30.05999 1.000 61.58927  ? 681 ARG A NE    1 
ATOM   521  C CZ    . ARG A 1 104 ? -22.37755 3.36130   -30.52930 1.000 61.72458  ? 681 ARG A CZ    1 
ATOM   522  N NH1   . ARG A 1 104 ? -22.91517 3.28924   -31.74161 1.000 60.63024  ? 681 ARG A NH1   1 
ATOM   523  N NH2   . ARG A 1 104 ? -22.64680 4.41430   -29.75650 1.000 62.33706  ? 681 ARG A NH2   1 
ATOM   524  N N     . TRP A 1 105 ? -22.23667 -3.16100  -29.06126 1.000 49.96143  ? 682 TRP A N     1 
ATOM   525  C CA    . TRP A 1 105 ? -21.42945 -4.21441  -29.66306 1.000 48.93676  ? 682 TRP A CA    1 
ATOM   526  C C     . TRP A 1 105 ? -22.15738 -5.54807  -29.79666 1.000 47.35959  ? 682 TRP A C     1 
ATOM   527  O O     . TRP A 1 105 ? -21.62322 -6.46101  -30.45202 1.000 46.34191  ? 682 TRP A O     1 
ATOM   528  C CB    . TRP A 1 105 ? -20.14022 -4.41174  -28.85822 1.000 50.07441  ? 682 TRP A CB    1 
ATOM   529  C CG    . TRP A 1 105 ? -19.66141 -3.12023  -28.33136 1.000 52.62928  ? 682 TRP A CG    1 
ATOM   530  C CD1   . TRP A 1 105 ? -19.70590 -2.69829  -27.03966 1.000 53.75676  ? 682 TRP A CD1   1 
ATOM   531  C CD2   . TRP A 1 105 ? -19.12889 -2.03344  -29.09428 1.000 54.20747  ? 682 TRP A CD2   1 
ATOM   532  N NE1   . TRP A 1 105 ? -19.22198 -1.41894  -26.94554 1.000 55.41692  ? 682 TRP A NE1   1 
ATOM   533  C CE2   . TRP A 1 105 ? -18.85682 -0.98745  -28.19163 1.000 55.57433  ? 682 TRP A CE2   1 
ATOM   534  C CE3   . TRP A 1 105 ? -18.85318 -1.84313  -30.45684 1.000 54.22547  ? 682 TRP A CE3   1 
ATOM   535  C CZ2   . TRP A 1 105 ? -18.31314 0.23094   -28.59833 1.000 56.47986  ? 682 TRP A CZ2   1 
ATOM   536  C CZ3   . TRP A 1 105 ? -18.31795 -0.62552  -30.86617 1.000 55.53755  ? 682 TRP A CZ3   1 
ATOM   537  C CH2   . TRP A 1 105 ? -18.05373 0.39659   -29.93648 1.000 56.53127  ? 682 TRP A CH2   1 
ATOM   538  N N     . VAL A 1 106 ? -23.35693 -5.68657  -29.21510 1.000 46.44585  ? 683 VAL A N     1 
ATOM   539  C CA    . VAL A 1 106 ? -24.03674 -6.98073  -29.15327 1.000 45.15165  ? 683 VAL A CA    1 
ATOM   540  C C     . VAL A 1 106 ? -24.90303 -7.17381  -30.39880 1.000 44.72701  ? 683 VAL A C     1 
ATOM   541  O O     . VAL A 1 106 ? -25.74847 -6.33015  -30.70591 1.000 45.50053  ? 683 VAL A O     1 
ATOM   542  C CB    . VAL A 1 106 ? -24.87465 -7.09096  -27.87556 1.000 46.03976  ? 683 VAL A CB    1 
ATOM   543  C CG1   . VAL A 1 106 ? -25.62503 -8.42162  -27.84901 1.000 45.71203  ? 683 VAL A CG1   1 
ATOM   544  C CG2   . VAL A 1 106 ? -23.97473 -6.92244  -26.65634 1.000 46.70571  ? 683 VAL A CG2   1 
ATOM   545  N N     . ASP A 1 107 ? -24.68706 -8.28339  -31.12237 1.000 50.97610  ? 684 ASP A N     1 
ATOM   546  C CA    . ASP A 1 107 ? -25.43406 -8.59396  -32.34502 1.000 50.40530  ? 684 ASP A CA    1 
ATOM   547  C C     . ASP A 1 107 ? -26.55963 -9.59550  -32.11604 1.000 50.91456  ? 684 ASP A C     1 
ATOM   548  O O     . ASP A 1 107 ? -27.67668 -9.39000  -32.59373 1.000 50.53721  ? 684 ASP A O     1 
ATOM   549  C CB    . ASP A 1 107 ? -24.48598 -9.12973  -33.41969 1.000 50.53390  ? 684 ASP A CB    1 
ATOM   550  C CG    . ASP A 1 107 ? -23.54757 -8.07359  -33.91564 1.000 51.41599  ? 684 ASP A CG    1 
ATOM   551  O OD1   . ASP A 1 107 ? -24.00813 -6.91301  -33.97526 1.000 51.53514  ? 684 ASP A OD1   1 
ATOM   552  O OD2   . ASP A 1 107 ? -22.36678 -8.37702  -34.20613 1.000 52.34391  ? 684 ASP A OD2   1 
ATOM   553  N N     . GLU A 1 108 ? -26.27392 -10.68797 -31.41005 1.000 53.45927  ? 685 GLU A N     1 
ATOM   554  C CA    . GLU A 1 108 ? -27.25928 -11.67140 -30.99712 1.000 53.61559  ? 685 GLU A CA    1 
ATOM   555  C C     . GLU A 1 108 ? -26.99545 -12.02715 -29.54273 1.000 54.77499  ? 685 GLU A C     1 
ATOM   556  O O     . GLU A 1 108 ? -25.89332 -11.84768 -29.02583 1.000 55.29049  ? 685 GLU A O     1 
ATOM   557  C CB    . GLU A 1 108 ? -27.21450 -12.93771 -31.87442 1.000 53.79643  ? 685 GLU A CB    1 
ATOM   558  C CG    . GLU A 1 108 ? -27.59561 -12.67908 -33.33301 1.000 53.98938  ? 685 GLU A CG    1 
ATOM   559  C CD    . GLU A 1 108 ? -27.59372 -13.91652 -34.22561 1.000 54.93008  ? 685 GLU A CD    1 
ATOM   560  O OE1   . GLU A 1 108 ? -26.72367 -14.80555 -34.02443 1.000 54.69931  ? 685 GLU A OE1   1 
ATOM   561  O OE2   . GLU A 1 108 ? -28.46789 -13.98800 -35.13956 1.000 56.07357  ? 685 GLU A OE2   1 
ATOM   562  N N     . ILE A 1 109 ? -28.03436 -12.51860 -28.87794 1.000 47.84130  ? 686 ILE A N     1 
ATOM   563  C CA    . ILE A 1 109 ? -27.93906 -13.01650 -27.51516 1.000 49.55587  ? 686 ILE A CA    1 
ATOM   564  C C     . ILE A 1 109 ? -28.46642 -14.44639 -27.48528 1.000 50.03077  ? 686 ILE A C     1 
ATOM   565  O O     . ILE A 1 109 ? -29.50144 -14.73907 -28.08702 1.000 49.25481  ? 686 ILE A O     1 
ATOM   566  C CB    . ILE A 1 109 ? -28.72826 -12.13034 -26.53843 1.000 51.28998  ? 686 ILE A CB    1 
ATOM   567  C CG1   . ILE A 1 109 ? -28.17532 -10.70951 -26.52861 1.000 51.19753  ? 686 ILE A CG1   1 
ATOM   568  C CG2   . ILE A 1 109 ? -28.72563 -12.74560 -25.15645 1.000 52.35605  ? 686 ILE A CG2   1 
ATOM   569  C CD1   . ILE A 1 109 ? -29.09193 -9.74873  -25.79351 1.000 53.52456  ? 686 ILE A CD1   1 
ATOM   570  N N     . ILE A 1 110 ? -27.75016 -15.34208 -26.80346 1.000 45.88097  ? 687 ILE A N     1 
ATOM   571  C CA    . ILE A 1 110 ? -28.29054 -16.64974 -26.43256 1.000 45.83547  ? 687 ILE A CA    1 
ATOM   572  C C     . ILE A 1 110 ? -28.59330 -16.58716 -24.94672 1.000 47.25335  ? 687 ILE A C     1 
ATOM   573  O O     . ILE A 1 110 ? -27.68149 -16.41321 -24.12542 1.000 48.06490  ? 687 ILE A O     1 
ATOM   574  C CB    . ILE A 1 110 ? -27.33551 -17.80387 -26.76997 1.000 47.39906  ? 687 ILE A CB    1 
ATOM   575  C CG1   . ILE A 1 110 ? -27.20471 -17.96082 -28.28780 1.000 46.43100  ? 687 ILE A CG1   1 
ATOM   576  C CG2   . ILE A 1 110 ? -27.83319 -19.09505 -26.14426 1.000 47.39518  ? 687 ILE A CG2   1 
ATOM   577  C CD1   . ILE A 1 110 ? -25.94111 -18.64280 -28.74223 1.000 46.65747  ? 687 ILE A CD1   1 
ATOM   578  N N     . SER A 1 111 ? -29.87844 -16.68881 -24.59920 1.000 53.98833  ? 688 SER A N     1 
ATOM   579  C CA    . SER A 1 111 ? -30.28962 -16.51504 -23.21057 1.000 54.11428  ? 688 SER A CA    1 
ATOM   580  C C     . SER A 1 111 ? -31.41933 -17.47361 -22.87671 1.000 55.03203  ? 688 SER A C     1 
ATOM   581  O O     . SER A 1 111 ? -32.50787 -17.35761 -23.44476 1.000 54.75816  ? 688 SER A O     1 
ATOM   582  C CB    . SER A 1 111 ? -30.72636 -15.07364 -22.95478 1.000 53.99860  ? 688 SER A CB    1 
ATOM   583  O OG    . SER A 1 111 ? -30.76265 -14.79266 -21.57820 1.000 55.04303  ? 688 SER A OG    1 
ATOM   584  N N     . PRO A 1 112 ? -31.20138 -18.44670 -21.98014 1.000 56.22258  ? 689 PRO A N     1 
ATOM   585  C CA    . PRO A 1 112 ? -29.90167 -18.69182 -21.34979 1.000 56.40195  ? 689 PRO A CA    1 
ATOM   586  C C     . PRO A 1 112 ? -28.93107 -19.50782 -22.20066 1.000 56.21645  ? 689 PRO A C     1 
ATOM   587  O O     . PRO A 1 112 ? -29.31785 -20.28449 -23.08343 1.000 56.23939  ? 689 PRO A O     1 
ATOM   588  C CB    . PRO A 1 112 ? -30.27858 -19.45925 -20.08334 1.000 57.26352  ? 689 PRO A CB    1 
ATOM   589  C CG    . PRO A 1 112 ? -31.52172 -20.16748 -20.44275 1.000 57.06902  ? 689 PRO A CG    1 
ATOM   590  C CD    . PRO A 1 112 ? -32.27122 -19.23269 -21.34603 1.000 56.80623  ? 689 PRO A CD    1 
ATOM   591  N N     . CYS A 1 113 ? -27.65080 -19.31789 -21.91113 1.000 48.87807  ? 690 CYS A N     1 
ATOM   592  C CA    . CYS A 1 113 ? -26.56287 -20.03395 -22.55098 1.000 48.78468  ? 690 CYS A CA    1 
ATOM   593  C C     . CYS A 1 113 ? -26.09494 -21.17658 -21.67817 1.000 49.06787  ? 690 CYS A C     1 
ATOM   594  O O     . CYS A 1 113 ? -26.28615 -21.15919 -20.45814 1.000 49.54674  ? 690 CYS A O     1 
ATOM   595  C CB    . CYS A 1 113 ? -25.38293 -19.09558 -22.82870 1.000 49.42295  ? 690 CYS A CB    1 
ATOM   596  S SG    . CYS A 1 113 ? -24.40931 -18.58736 -21.37774 1.000 50.20975  ? 690 CYS A SG    1 
ATOM   597  N N     . PRO A 1 114 ? -25.45368 -22.18148 -22.26952 1.000 48.11707  ? 691 PRO A N     1 
ATOM   598  C CA    . PRO A 1 114 ? -24.88876 -23.26786 -21.47280 1.000 49.21691  ? 691 PRO A CA    1 
ATOM   599  C C     . PRO A 1 114 ? -23.66757 -22.79182 -20.71411 1.000 49.15170  ? 691 PRO A C     1 
ATOM   600  O O     . PRO A 1 114 ? -23.06858 -21.76473 -21.03523 1.000 48.91417  ? 691 PRO A O     1 
ATOM   601  C CB    . PRO A 1 114 ? -24.51606 -24.32498 -22.52121 1.000 49.90230  ? 691 PRO A CB    1 
ATOM   602  C CG    . PRO A 1 114 ? -25.23083 -23.89825 -23.78586 1.000 48.66472  ? 691 PRO A CG    1 
ATOM   603  C CD    . PRO A 1 114 ? -25.25176 -22.42132 -23.71105 1.000 48.04607  ? 691 PRO A CD    1 
ATOM   604  N N     . TRP A 1 115 ? -23.29959 -23.56651 -19.69482 1.000 59.86802  ? 692 TRP A N     1 
ATOM   605  C CA    . TRP A 1 115 ? -22.16096 -23.19252 -18.86850 1.000 61.09355  ? 692 TRP A CA    1 
ATOM   606  C C     . TRP A 1 115 ? -20.83727 -23.50787 -19.56439 1.000 61.10948  ? 692 TRP A C     1 
ATOM   607  O O     . TRP A 1 115 ? -19.99044 -22.63043 -19.73729 1.000 60.39457  ? 692 TRP A O     1 
ATOM   608  C CB    . TRP A 1 115 ? -22.23493 -23.88998 -17.50530 1.000 61.91851  ? 692 TRP A CB    1 
ATOM   609  C CG    . TRP A 1 115 ? -21.33942 -23.22697 -16.45836 1.000 62.97406  ? 692 TRP A CG    1 
ATOM   610  C CD1   . TRP A 1 115 ? -20.09195 -23.63117 -16.05815 1.000 63.12428  ? 692 TRP A CD1   1 
ATOM   611  C CD2   . TRP A 1 115 ? -21.63409 -22.04488 -15.69972 1.000 62.65042  ? 692 TRP A CD2   1 
ATOM   612  N NE1   . TRP A 1 115 ? -19.60527 -22.78130 -15.09338 1.000 63.10425  ? 692 TRP A NE1   1 
ATOM   613  C CE2   . TRP A 1 115 ? -20.53357 -21.80269 -14.85617 1.000 62.86234  ? 692 TRP A CE2   1 
ATOM   614  C CE3   . TRP A 1 115 ? -22.72579 -21.17378 -15.64791 1.000 62.14369  ? 692 TRP A CE3   1 
ATOM   615  C CZ2   . TRP A 1 115 ? -20.49081 -20.72097 -13.98756 1.000 63.28555  ? 692 TRP A CZ2   1 
ATOM   616  C CZ3   . TRP A 1 115 ? -22.68326 -20.10905 -14.78192 1.000 62.54986  ? 692 TRP A CZ3   1 
ATOM   617  C CH2   . TRP A 1 115 ? -21.57639 -19.88894 -13.96153 1.000 63.04278  ? 692 TRP A CH2   1 
ATOM   618  N N     . VAL A 1 116 ? -20.63008 -24.75714 -19.95998 1.000 61.04045  ? 693 VAL A N     1 
ATOM   619  C CA    . VAL A 1 116 ? -19.39709 -25.15498 -20.61854 1.000 60.88464  ? 693 VAL A CA    1 
ATOM   620  C C     . VAL A 1 116 ? -19.64869 -25.16751 -22.11750 1.000 60.29786  ? 693 VAL A C     1 
ATOM   621  O O     . VAL A 1 116 ? -20.58339 -25.81198 -22.59922 1.000 60.26048  ? 693 VAL A O     1 
ATOM   622  C CB    . VAL A 1 116 ? -18.90133 -26.52158 -20.10663 1.000 61.27143  ? 693 VAL A CB    1 
ATOM   623  C CG1   . VAL A 1 116 ? -17.53958 -26.87550 -20.71840 1.000 61.02143  ? 693 VAL A CG1   1 
ATOM   624  C CG2   . VAL A 1 116 ? -18.81334 -26.53474 -18.56279 1.000 61.94904  ? 693 VAL A CG2   1 
ATOM   625  N N     . VAL A 1 117 ? -18.84312 -24.40681 -22.84924 1.000 60.44718  ? 694 VAL A N     1 
ATOM   626  C CA    . VAL A 1 117 ? -18.84928 -24.47340 -24.30210 1.000 60.75736  ? 694 VAL A CA    1 
ATOM   627  C C     . VAL A 1 117 ? -18.45288 -25.87816 -24.75408 1.000 61.64789  ? 694 VAL A C     1 
ATOM   628  O O     . VAL A 1 117 ? -17.51187 -26.48388 -24.22221 1.000 61.62015  ? 694 VAL A O     1 
ATOM   629  C CB    . VAL A 1 117 ? -17.89074 -23.40668 -24.85270 1.000 60.91686  ? 694 VAL A CB    1 
ATOM   630  C CG1   . VAL A 1 117 ? -17.74897 -23.52274 -26.35796 1.000 61.50388  ? 694 VAL A CG1   1 
ATOM   631  C CG2   . VAL A 1 117 ? -18.35757 -22.02316 -24.43729 1.000 60.17255  ? 694 VAL A CG2   1 
ATOM   632  N N     . THR A 1 118 ? -19.18225 -26.40720 -25.73293 1.000 53.66217  ? 695 THR A N     1 
ATOM   633  C CA    . THR A 1 118 ? -18.97424 -27.73456 -26.28747 1.000 54.66828  ? 695 THR A CA    1 
ATOM   634  C C     . THR A 1 118 ? -18.69908 -27.59189 -27.78184 1.000 54.41335  ? 695 THR A C     1 
ATOM   635  O O     . THR A 1 118 ? -19.03629 -26.56747 -28.38483 1.000 54.06701  ? 695 THR A O     1 
ATOM   636  C CB    . THR A 1 118 ? -20.19098 -28.67168 -26.06682 1.000 56.12536  ? 695 THR A CB    1 
ATOM   637  O OG1   . THR A 1 118 ? -21.36535 -28.14863 -26.70820 1.000 54.82551  ? 695 THR A OG1   1 
ATOM   638  C CG2   . THR A 1 118 ? -20.48418 -28.87342 -24.60012 1.000 56.93326  ? 695 THR A CG2   1 
ATOM   639  N N     . PRO A 1 119 ? -18.08746 -28.60750 -28.40536 1.000 64.39875  ? 696 PRO A N     1 
ATOM   640  C CA    . PRO A 1 119 ? -17.93374 -28.54803 -29.87123 1.000 65.09668  ? 696 PRO A CA    1 
ATOM   641  C C     . PRO A 1 119 ? -19.26445 -28.56309 -30.61197 1.000 64.68896  ? 696 PRO A C     1 
ATOM   642  O O     . PRO A 1 119 ? -19.41913 -27.82299 -31.59531 1.000 64.78757  ? 696 PRO A O     1 
ATOM   643  C CB    . PRO A 1 119 ? -17.07889 -29.78536 -30.18482 1.000 64.99511  ? 696 PRO A CB    1 
ATOM   644  C CG    . PRO A 1 119 ? -16.37414 -30.10063 -28.91931 1.000 65.14168  ? 696 PRO A CG    1 
ATOM   645  C CD    . PRO A 1 119 ? -17.34828 -29.73519 -27.82525 1.000 64.56162  ? 696 PRO A CD    1 
ATOM   646  N N     . GLU A 1 120 ? -20.24268 -29.36028 -30.15571 1.000 81.38141  ? 697 GLU A N     1 
ATOM   647  C CA    . GLU A 1 120 ? -21.56545 -29.33687 -30.77887 1.000 80.75504  ? 697 GLU A CA    1 
ATOM   648  C C     . GLU A 1 120 ? -22.19019 -27.94922 -30.71775 1.000 80.19984  ? 697 GLU A C     1 
ATOM   649  O O     . GLU A 1 120 ? -22.97951 -27.57991 -31.59597 1.000 80.16304  ? 697 GLU A O     1 
ATOM   650  C CB    . GLU A 1 120 ? -22.49291 -30.35055 -30.10493 1.000 79.77308  ? 697 GLU A CB    1 
ATOM   651  C CG    . GLU A 1 120 ? -22.20464 -31.80073 -30.42015 1.000 80.41714  ? 697 GLU A CG    1 
ATOM   652  C CD    . GLU A 1 120 ? -20.96470 -32.32368 -29.71284 1.000 81.23091  ? 697 GLU A CD    1 
ATOM   653  O OE1   . GLU A 1 120 ? -20.29791 -31.53349 -29.01259 1.000 80.42431  ? 697 GLU A OE1   1 
ATOM   654  O OE2   . GLU A 1 120 ? -20.65206 -33.52603 -29.85768 1.000 82.73804  ? 697 GLU A OE2   1 
ATOM   655  N N     . PHE A 1 121 ? -21.85376 -27.17167 -29.68903 1.000 53.75332  ? 698 PHE A N     1 
ATOM   656  C CA    . PHE A 1 121 ? -22.42551 -25.83854 -29.55094 1.000 53.40287  ? 698 PHE A CA    1 
ATOM   657  C C     . PHE A 1 121 ? -21.86774 -24.89784 -30.60477 1.000 54.59695  ? 698 PHE A C     1 
ATOM   658  O O     . PHE A 1 121 ? -22.59692 -24.05701 -31.14212 1.000 53.90338  ? 698 PHE A O     1 
ATOM   659  C CB    . PHE A 1 121 ? -22.15129 -25.31036 -28.14538 1.000 53.46960  ? 698 PHE A CB    1 
ATOM   660  C CG    . PHE A 1 121 ? -22.72362 -23.95739 -27.87366 1.000 53.64689  ? 698 PHE A CG    1 
ATOM   661  C CD1   . PHE A 1 121 ? -24.04126 -23.81595 -27.45408 1.000 52.60463  ? 698 PHE A CD1   1 
ATOM   662  C CD2   . PHE A 1 121 ? -21.93583 -22.81777 -27.99074 1.000 54.47347  ? 698 PHE A CD2   1 
ATOM   663  C CE1   . PHE A 1 121 ? -24.56213 -22.57754 -27.17174 1.000 52.09222  ? 698 PHE A CE1   1 
ATOM   664  C CE2   . PHE A 1 121 ? -22.45169 -21.57000 -27.71134 1.000 53.85067  ? 698 PHE A CE2   1 
ATOM   665  C CZ    . PHE A 1 121 ? -23.78116 -21.45328 -27.30505 1.000 53.00941  ? 698 PHE A CZ    1 
ATOM   666  N N     . LEU A 1 122 ? -20.57434 -25.02291 -30.90948 1.000 60.05531  ? 699 LEU A N     1 
ATOM   667  C CA    . LEU A 1 122 ? -19.96689 -24.17991 -31.93457 1.000 60.49540  ? 699 LEU A CA    1 
ATOM   668  C C     . LEU A 1 122 ? -20.56170 -24.45594 -33.31345 1.000 59.94975  ? 699 LEU A C     1 
ATOM   669  O O     . LEU A 1 122 ? -20.85789 -23.51891 -34.06135 1.000 59.98911  ? 699 LEU A O     1 
ATOM   670  C CB    . LEU A 1 122 ? -18.44021 -24.38018 -31.96817 1.000 61.25400  ? 699 LEU A CB    1 
ATOM   671  C CG    . LEU A 1 122 ? -17.58240 -23.95236 -30.78031 1.000 60.37986  ? 699 LEU A CG    1 
ATOM   672  C CD1   . LEU A 1 122 ? -16.16393 -24.30430 -31.07628 1.000 61.78730  ? 699 LEU A CD1   1 
ATOM   673  C CD2   . LEU A 1 122 ? -17.72141 -22.45734 -30.51833 1.000 60.07288  ? 699 LEU A CD2   1 
ATOM   674  N N     . GLU A 1 123 ? -20.71794 -25.72965 -33.68627 1.000 74.85106  ? 700 GLU A N     1 
ATOM   675  C CA    . GLU A 1 123 ? -21.30624 -26.02397 -34.99219 1.000 75.51501  ? 700 GLU A CA    1 
ATOM   676  C C     . GLU A 1 123 ? -22.73732 -25.51030 -35.07564 1.000 74.90177  ? 700 GLU A C     1 
ATOM   677  O O     . GLU A 1 123 ? -23.17089 -25.02388 -36.12340 1.000 75.34514  ? 700 GLU A O     1 
ATOM   678  C CB    . GLU A 1 123 ? -21.26036 -27.52418 -35.27859 1.000 75.22718  ? 700 GLU A CB    1 
ATOM   679  C CG    . GLU A 1 123 ? -19.86713 -28.05521 -35.55194 1.000 76.37630  ? 700 GLU A CG    1 
ATOM   680  C CD    . GLU A 1 123 ? -19.21173 -27.41608 -36.77817 1.000 78.96512  ? 700 GLU A CD    1 
ATOM   681  O OE1   . GLU A 1 123 ? -19.95336 -27.01019 -37.70179 1.000 80.31912  ? 700 GLU A OE1   1 
ATOM   682  O OE2   . GLU A 1 123 ? -17.95808 -27.32380 -36.81778 1.000 78.81618  ? 700 GLU A OE2   1 
ATOM   683  N N     . LYS A 1 124 ? -23.47293 -25.59247 -33.96865 1.000 71.41103  ? 701 LYS A N     1 
ATOM   684  C CA    . LYS A 1 124 ? -24.88445 -25.23684 -33.97259 1.000 71.09415  ? 701 LYS A CA    1 
ATOM   685  C C     . LYS A 1 124 ? -25.07601 -23.76942 -34.33717 1.000 71.62551  ? 701 LYS A C     1 
ATOM   686  O O     . LYS A 1 124 ? -25.83878 -23.43575 -35.25470 1.000 71.37152  ? 701 LYS A O     1 
ATOM   687  C CB    . LYS A 1 124 ? -25.49071 -25.54603 -32.59881 1.000 70.19058  ? 701 LYS A CB    1 
ATOM   688  C CG    . LYS A 1 124 ? -26.98687 -25.80040 -32.60443 1.000 69.92785  ? 701 LYS A CG    1 
ATOM   689  C CD    . LYS A 1 124 ? -27.69457 -25.07916 -31.48819 1.000 68.43756  ? 701 LYS A CD    1 
ATOM   690  C CE    . LYS A 1 124 ? -28.01300 -25.96717 -30.29652 1.000 69.18002  ? 701 LYS A CE    1 
ATOM   691  N NZ    . LYS A 1 124 ? -29.20174 -25.41897 -29.54328 1.000 69.52650  ? 701 LYS A NZ    1 
ATOM   692  N N     . TYR A 1 125 ? -24.38029 -22.88093 -33.63042 1.000 61.86533  ? 702 TYR A N     1 
ATOM   693  C CA    . TYR A 1 125 ? -24.44725 -21.44424 -33.84953 1.000 61.16560  ? 702 TYR A CA    1 
ATOM   694  C C     . TYR A 1 125 ? -23.33962 -20.94442 -34.78616 1.000 61.22738  ? 702 TYR A C     1 
ATOM   695  O O     . TYR A 1 125 ? -23.19250 -19.73444 -34.97274 1.000 60.55168  ? 702 TYR A O     1 
ATOM   696  C CB    . TYR A 1 125 ? -24.42713 -20.71905 -32.48583 1.000 60.54496  ? 702 TYR A CB    1 
ATOM   697  C CG    . TYR A 1 125 ? -25.58667 -21.14509 -31.58241 1.000 60.13054  ? 702 TYR A CG    1 
ATOM   698  C CD1   . TYR A 1 125 ? -26.86567 -20.63814 -31.78481 1.000 59.97562  ? 702 TYR A CD1   1 
ATOM   699  C CD2   . TYR A 1 125 ? -25.41339 -22.08048 -30.54861 1.000 60.38305  ? 702 TYR A CD2   1 
ATOM   700  C CE1   . TYR A 1 125 ? -27.96409 -21.04874 -30.98031 1.000 59.10918  ? 702 TYR A CE1   1 
ATOM   701  C CE2   . TYR A 1 125 ? -26.50390 -22.49604 -29.72874 1.000 59.72020  ? 702 TYR A CE2   1 
ATOM   702  C CZ    . TYR A 1 125 ? -27.78717 -21.97980 -29.95206 1.000 59.12573  ? 702 TYR A CZ    1 
ATOM   703  O OH    . TYR A 1 125 ? -28.90065 -22.36844 -29.18485 1.000 59.05286  ? 702 TYR A OH    1 
ATOM   704  N N     . LYS A 1 126 ? -22.59065 -21.86023 -35.40932 1.000 63.48370  ? 703 LYS A N     1 
ATOM   705  C CA    . LYS A 1 126 ? -21.53743 -21.54023 -36.39115 1.000 63.89600  ? 703 LYS A CA    1 
ATOM   706  C C     . LYS A 1 126 ? -20.54994 -20.49881 -35.86320 1.000 63.70347  ? 703 LYS A C     1 
ATOM   707  O O     . LYS A 1 126 ? -20.14597 -19.57932 -36.57388 1.000 64.08908  ? 703 LYS A O     1 
ATOM   708  C CB    . LYS A 1 126 ? -22.15743 -21.11080 -37.72085 1.000 64.13957  ? 703 LYS A CB    1 
ATOM   709  C CG    . LYS A 1 126 ? -23.13632 -22.15324 -38.22485 1.000 64.63970  ? 703 LYS A CG    1 
ATOM   710  C CD    . LYS A 1 126 ? -23.77257 -21.80745 -39.54530 1.000 65.56433  ? 703 LYS A CD    1 
ATOM   711  C CE    . LYS A 1 126 ? -25.16654 -22.42531 -39.63879 1.000 64.22225  ? 703 LYS A CE    1 
ATOM   712  N NZ    . LYS A 1 126 ? -26.06178 -21.83000 -38.58617 1.000 62.85025  ? 703 LYS A NZ    1 
ATOM   713  N N     . ILE A 1 127 ? -20.15782 -20.66131 -34.59944 1.000 57.37916  ? 704 ILE A N     1 
ATOM   714  C CA    . ILE A 1 127 ? -19.20269 -19.77608 -33.93729 1.000 57.27362  ? 704 ILE A CA    1 
ATOM   715  C C     . ILE A 1 127 ? -17.78881 -20.13591 -34.37641 1.000 58.32252  ? 704 ILE A C     1 
ATOM   716  O O     . ILE A 1 127 ? -17.40416 -21.31238 -34.37645 1.000 59.43838  ? 704 ILE A O     1 
ATOM   717  C CB    . ILE A 1 127 ? -19.33190 -19.88582 -32.40988 1.000 56.91725  ? 704 ILE A CB    1 
ATOM   718  C CG1   . ILE A 1 127 ? -20.73723 -19.48438 -31.96605 1.000 55.60225  ? 704 ILE A CG1   1 
ATOM   719  C CG2   . ILE A 1 127 ? -18.22304 -19.07038 -31.71000 1.000 56.12188  ? 704 ILE A CG2   1 
ATOM   720  C CD1   . ILE A 1 127 ? -21.26667 -20.26627 -30.78114 1.000 56.20103  ? 704 ILE A CD1   1 
ATOM   721  N N     . ASP A 1 128 ? -17.01516 -19.12102 -34.75828 1.000 58.08417  ? 705 ASP A N     1 
ATOM   722  C CA    . ASP A 1 128 ? -15.62216 -19.30562 -35.13371 1.000 58.40815  ? 705 ASP A CA    1 
ATOM   723  C C     . ASP A 1 128 ? -14.68752 -19.16143 -33.94318 1.000 57.52918  ? 705 ASP A C     1 
ATOM   724  O O     . ASP A 1 128 ? -13.66722 -19.86049 -33.87626 1.000 57.78759  ? 705 ASP A O     1 
ATOM   725  C CB    . ASP A 1 128 ? -15.22060 -18.29191 -36.21417 1.000 58.57314  ? 705 ASP A CB    1 
ATOM   726  C CG    . ASP A 1 128 ? -15.99010 -18.47121 -37.52629 1.000 59.96996  ? 705 ASP A CG    1 
ATOM   727  O OD1   . ASP A 1 128 ? -15.80864 -19.50733 -38.21938 1.000 60.51913  ? 705 ASP A OD1   1 
ATOM   728  O OD2   . ASP A 1 128 ? -16.78456 -17.55501 -37.86900 1.000 59.74879  ? 705 ASP A OD2   1 
ATOM   729  N N     . TYR A 1 129 ? -15.01044 -18.27070 -33.00210 1.000 53.91050  ? 706 TYR A N     1 
ATOM   730  C CA    . TYR A 1 129 ? -14.15584 -17.99846 -31.85251 1.000 52.20904  ? 706 TYR A CA    1 
ATOM   731  C C     . TYR A 1 129 ? -14.99646 -17.66832 -30.62866 1.000 50.61841  ? 706 TYR A C     1 
ATOM   732  O O     . TYR A 1 129 ? -16.02957 -16.99785 -30.71851 1.000 50.30676  ? 706 TYR A O     1 
ATOM   733  C CB    . TYR A 1 129 ? -13.18024 -16.82665 -32.09573 1.000 51.77434  ? 706 TYR A CB    1 
ATOM   734  C CG    . TYR A 1 129 ? -12.27148 -16.99272 -33.27178 1.000 52.96697  ? 706 TYR A CG    1 
ATOM   735  C CD1   . TYR A 1 129 ? -12.67713 -16.61939 -34.53269 1.000 53.93077  ? 706 TYR A CD1   1 
ATOM   736  C CD2   . TYR A 1 129 ? -10.98660 -17.52428 -33.11797 1.000 53.63460  ? 706 TYR A CD2   1 
ATOM   737  C CE1   . TYR A 1 129 ? -11.85529 -16.77351 -35.60490 1.000 55.51191  ? 706 TYR A CE1   1 
ATOM   738  C CE2   . TYR A 1 129 ? -10.15233 -17.67447 -34.19777 1.000 54.50194  ? 706 TYR A CE2   1 
ATOM   739  C CZ    . TYR A 1 129 ? -10.59412 -17.30159 -35.43424 1.000 55.64939  ? 706 TYR A CZ    1 
ATOM   740  O OH    . TYR A 1 129 ? -9.79394  -17.45680 -36.52100 1.000 57.54121  ? 706 TYR A OH    1 
ATOM   741  N N     . VAL A 1 130 ? -14.48580 -18.09349 -29.47904 1.000 59.65413  ? 707 VAL A N     1 
ATOM   742  C CA    . VAL A 1 130 ? -15.04449 -17.78646 -28.16892 1.000 58.97704  ? 707 VAL A CA    1 
ATOM   743  C C     . VAL A 1 130 ? -14.13338 -16.75619 -27.50402 1.000 57.89813  ? 707 VAL A C     1 
ATOM   744  O O     . VAL A 1 130 ? -12.90107 -16.89622 -27.53293 1.000 58.18717  ? 707 VAL A O     1 
ATOM   745  C CB    . VAL A 1 130 ? -15.16680 -19.06576 -27.31896 1.000 60.10607  ? 707 VAL A CB    1 
ATOM   746  C CG1   . VAL A 1 130 ? -15.44039 -18.74087 -25.85812 1.000 58.62017  ? 707 VAL A CG1   1 
ATOM   747  C CG2   . VAL A 1 130 ? -16.22109 -19.99494 -27.91354 1.000 61.49943  ? 707 VAL A CG2   1 
ATOM   748  N N     . ALA A 1 131 ? -14.72868 -15.71810 -26.91664 1.000 60.29206  ? 708 ALA A N     1 
ATOM   749  C CA    . ALA A 1 131 ? -13.97076 -14.62317 -26.32298 1.000 59.35030  ? 708 ALA A CA    1 
ATOM   750  C C     . ALA A 1 131 ? -14.31577 -14.46059 -24.84804 1.000 58.74746  ? 708 ALA A C     1 
ATOM   751  O O     . ALA A 1 131 ? -15.49210 -14.44472 -24.46590 1.000 58.99223  ? 708 ALA A O     1 
ATOM   752  C CB    . ALA A 1 131 ? -14.21938 -13.30831 -27.06278 1.000 57.97747  ? 708 ALA A CB    1 
ATOM   753  N N     . HIS A 1 132 ? -13.28057 -14.26872 -24.04393 1.000 56.38356  ? 709 HIS A N     1 
ATOM   754  C CA    . HIS A 1 132 ? -13.28391 -14.24454 -22.58790 1.000 56.88899  ? 709 HIS A CA    1 
ATOM   755  C C     . HIS A 1 132 ? -11.84430 -13.91512 -22.17230 1.000 57.80674  ? 709 HIS A C     1 
ATOM   756  O O     . HIS A 1 132 ? -10.93794 -13.90746 -23.01033 1.000 57.77768  ? 709 HIS A O     1 
ATOM   757  C CB    . HIS A 1 132 ? -13.75902 -15.59941 -22.03648 1.000 57.72928  ? 709 HIS A CB    1 
ATOM   758  C CG    . HIS A 1 132 ? -13.99415 -15.61743 -20.55512 1.000 58.64249  ? 709 HIS A CG    1 
ATOM   759  N ND1   . HIS A 1 132 ? -12.98431 -15.83528 -19.64107 1.000 59.89169  ? 709 HIS A ND1   1 
ATOM   760  C CD2   . HIS A 1 132 ? -15.13090 -15.47044 -19.83063 1.000 59.03994  ? 709 HIS A CD2   1 
ATOM   761  C CE1   . HIS A 1 132 ? -13.48678 -15.80808 -18.41895 1.000 60.39434  ? 709 HIS A CE1   1 
ATOM   762  N NE2   . HIS A 1 132 ? -14.78592 -15.58341 -18.50588 1.000 59.66729  ? 709 HIS A NE2   1 
ATOM   763  N N     . ASP A 1 133 ? -11.63724 -13.63087 -20.88416 1.000 58.95109  ? 710 ASP A N     1 
ATOM   764  C CA    . ASP A 1 133 ? -10.28481 -13.34508 -20.41114 1.000 60.80617  ? 710 ASP A CA    1 
ATOM   765  C C     . ASP A 1 133 ? -9.47387  -14.63506 -20.31070 1.000 64.28472  ? 710 ASP A C     1 
ATOM   766  O O     . ASP A 1 133 ? -10.02366 -15.71943 -20.10183 1.000 64.46070  ? 710 ASP A O     1 
ATOM   767  C CB    . ASP A 1 133 ? -10.30703 -12.62705 -19.05317 1.000 62.00238  ? 710 ASP A CB    1 
ATOM   768  C CG    . ASP A 1 133 ? -10.97916 -13.44309 -17.95978 1.000 63.48899  ? 710 ASP A CG    1 
ATOM   769  O OD1   . ASP A 1 133 ? -10.40835 -14.45695 -17.51728 1.000 66.70549  ? 710 ASP A OD1   1 
ATOM   770  O OD2   . ASP A 1 133 ? -12.08770 -13.05380 -17.53770 1.000 63.08271  ? 710 ASP A OD2   1 
ATOM   771  N N     . ASP A 1 134 ? -8.15071  -14.51815 -20.45427 1.000 78.57660  ? 711 ASP A N     1 
ATOM   772  C CA    . ASP A 1 134 ? -7.34826  -15.73335 -20.53429 1.000 80.83066  ? 711 ASP A CA    1 
ATOM   773  C C     . ASP A 1 134 ? -7.16149  -16.42013 -19.18734 1.000 80.40781  ? 711 ASP A C     1 
ATOM   774  O O     . ASP A 1 134 ? -6.60132  -17.52388 -19.16039 1.000 82.44822  ? 711 ASP A O     1 
ATOM   775  C CB    . ASP A 1 134 ? -5.98076  -15.46784 -21.18362 1.000 84.44443  ? 711 ASP A CB    1 
ATOM   776  C CG    . ASP A 1 134 ? -5.15846  -14.42582 -20.45415 1.000 89.61305  ? 711 ASP A CG    1 
ATOM   777  O OD1   . ASP A 1 134 ? -5.08204  -14.47325 -19.21399 1.000 90.00389  ? 711 ASP A OD1   1 
ATOM   778  O OD2   . ASP A 1 134 ? -4.54766  -13.56651 -21.13274 1.000 93.77898  ? 711 ASP A OD2   1 
ATOM   779  N N     . ILE A 1 135 ? -7.63290  -15.83081 -18.08687 1.000 74.38572  ? 712 ILE A N     1 
ATOM   780  C CA    . ILE A 1 135 ? -7.57094  -16.49546 -16.77914 1.000 74.42600  ? 712 ILE A CA    1 
ATOM   781  C C     . ILE A 1 135 ? -8.32563  -17.82132 -16.84498 1.000 74.68026  ? 712 ILE A C     1 
ATOM   782  O O     . ILE A 1 135 ? -9.52710  -17.84101 -17.17513 1.000 73.08224  ? 712 ILE A O     1 
ATOM   783  C CB    . ILE A 1 135 ? -8.14482  -15.62135 -15.65232 1.000 71.91079  ? 712 ILE A CB    1 
ATOM   784  C CG1   . ILE A 1 135 ? -7.30524  -14.36004 -15.45161 1.000 72.19708  ? 712 ILE A CG1   1 
ATOM   785  C CG2   . ILE A 1 135 ? -8.21727  -16.41419 -14.35694 1.000 72.56575  ? 712 ILE A CG2   1 
ATOM   786  C CD1   . ILE A 1 135 ? -8.07783  -13.22345 -14.77521 1.000 70.82922  ? 712 ILE A CD1   1 
ATOM   787  N N     . PRO A 1 136 ? -7.66372  -18.93860 -16.53246 1.000 64.28969  ? 713 PRO A N     1 
ATOM   788  C CA    . PRO A 1 136 ? -8.33727  -20.24380 -16.56207 1.000 64.94120  ? 713 PRO A CA    1 
ATOM   789  C C     . PRO A 1 136 ? -9.55684  -20.27716 -15.65123 1.000 63.92921  ? 713 PRO A C     1 
ATOM   790  O O     . PRO A 1 136 ? -9.56427  -19.69891 -14.55953 1.000 63.53873  ? 713 PRO A O     1 
ATOM   791  C CB    . PRO A 1 136 ? -7.25152  -21.21201 -16.07882 1.000 67.44421  ? 713 PRO A CB    1 
ATOM   792  C CG    . PRO A 1 136 ? -5.96169  -20.50418 -16.33244 1.000 69.02544  ? 713 PRO A CG    1 
ATOM   793  C CD    . PRO A 1 136 ? -6.25565  -19.04686 -16.12181 1.000 66.88455  ? 713 PRO A CD    1 
ATOM   794  N N     . TYR A 1 137 ? -10.58790 -20.98398 -16.11737 1.000 71.40402  ? 714 TYR A N     1 
ATOM   795  C CA    . TYR A 1 137 ? -11.92866 -20.96259 -15.53950 1.000 71.71585  ? 714 TYR A CA    1 
ATOM   796  C C     . TYR A 1 137 ? -12.31646 -22.37905 -15.11954 1.000 74.29091  ? 714 TYR A C     1 
ATOM   797  O O     . TYR A 1 137 ? -12.76314 -23.17433 -15.94862 1.000 74.72908  ? 714 TYR A O     1 
ATOM   798  C CB    . TYR A 1 137 ? -12.91625 -20.39735 -16.54792 1.000 70.39392  ? 714 TYR A CB    1 
ATOM   799  C CG    . TYR A 1 137 ? -14.15402 -19.86945 -15.89060 1.000 70.64753  ? 714 TYR A CG    1 
ATOM   800  C CD1   . TYR A 1 137 ? -15.18466 -20.72878 -15.52811 1.000 74.42532  ? 714 TYR A CD1   1 
ATOM   801  C CD2   . TYR A 1 137 ? -14.28343 -18.51596 -15.60430 1.000 67.52684  ? 714 TYR A CD2   1 
ATOM   802  C CE1   . TYR A 1 137 ? -16.31477 -20.25415 -14.91265 1.000 75.68353  ? 714 TYR A CE1   1 
ATOM   803  C CE2   . TYR A 1 137 ? -15.39193 -18.03359 -14.97970 1.000 67.65532  ? 714 TYR A CE2   1 
ATOM   804  C CZ    . TYR A 1 137 ? -16.41691 -18.90582 -14.63666 1.000 71.98917  ? 714 TYR A CZ    1 
ATOM   805  O OH    . TYR A 1 137 ? -17.55464 -18.43025 -14.02007 1.000 72.95236  ? 714 TYR A OH    1 
ATOM   806  N N     . ALA A 1 138 ? -12.16781 -22.69346 -13.83468 1.000 63.74015  ? 715 ALA A N     1 
ATOM   807  C CA    . ALA A 1 138 ? -12.29354 -24.07734 -13.38949 1.000 65.79436  ? 715 ALA A CA    1 
ATOM   808  C C     . ALA A 1 138 ? -13.75553 -24.54808 -13.37434 1.000 67.67134  ? 715 ALA A C     1 
ATOM   809  O O     . ALA A 1 138 ? -14.70073 -23.76313 -13.42697 1.000 68.42764  ? 715 ALA A O     1 
ATOM   810  C CB    . ALA A 1 138 ? -11.66432 -24.24507 -12.00296 1.000 68.29134  ? 715 ALA A CB    1 
ATOM   811  N N     . ASN A 1 139 ? -13.93374 -25.85990 -13.29727 1.000 98.84335  ? 716 ASN A N     1 
ATOM   812  C CA    . ASN A 1 139 ? -15.27881 -26.41118 -13.26002 1.000 101.42556 ? 716 ASN A CA    1 
ATOM   813  C C     . ASN A 1 139 ? -15.50246 -27.10581 -11.92833 1.000 104.91134 ? 716 ASN A C     1 
ATOM   814  O O     . ASN A 1 139 ? -16.08684 -26.53888 -10.99728 1.000 107.77137 ? 716 ASN A O     1 
ATOM   815  C CB    . ASN A 1 139 ? -15.48300 -27.39441 -14.41644 1.000 100.47819 ? 716 ASN A CB    1 
ATOM   816  C CG    . ASN A 1 139 ? -16.93163 -27.50957 -14.83629 1.000 101.95601 ? 716 ASN A CG    1 
ATOM   817  O OD1   . ASN A 1 139 ? -17.80498 -26.83858 -14.28262 1.000 103.35511 ? 716 ASN A OD1   1 
ATOM   818  N ND2   . ASN A 1 139 ? -17.19511 -28.34824 -15.83378 1.000 102.24974 ? 716 ASN A ND2   1 
ATOM   819  N N     . ASN A 1 140 ? -15.00658 -28.33739 -11.85467 1.000 97.32173  ? 717 ASN A N     1 
ATOM   820  C CA    . ASN A 1 140 ? -15.11134 -29.26121 -10.73223 1.000 100.57477 ? 717 ASN A CA    1 
ATOM   821  C C     . ASN A 1 140 ? -14.48260 -30.54527 -11.25234 1.000 99.84176  ? 717 ASN A C     1 
ATOM   822  O O     . ASN A 1 140 ? -13.96955 -31.37357 -10.49146 1.000 101.63616 ? 717 ASN A O     1 
ATOM   823  C CB    . ASN A 1 140 ? -16.56274 -29.47315 -10.28048 1.000 104.27232 ? 717 ASN A CB    1 
ATOM   824  N N     . GLN A 1 141 ? -14.51029 -30.68472 -12.57969 1.000 118.38107 ? 718 GLN A N     1 
ATOM   825  C CA    . GLN A 1 141 ? -13.83002 -31.74837 -13.29802 1.000 118.19875 ? 718 GLN A CA    1 
ATOM   826  C C     . GLN A 1 141 ? -12.81473 -31.23633 -14.31298 1.000 115.68117 ? 718 GLN A C     1 
ATOM   827  O O     . GLN A 1 141 ? -11.91955 -31.99674 -14.70584 1.000 116.54686 ? 718 GLN A O     1 
ATOM   828  C CB    . GLN A 1 141 ? -14.85027 -32.64867 -14.01821 1.000 119.57019 ? 718 GLN A CB    1 
ATOM   829  C CG    . GLN A 1 141 ? -16.00412 -31.89459 -14.67475 1.000 118.07252 ? 718 GLN A CG    1 
ATOM   830  C CD    . GLN A 1 141 ? -17.16849 -31.67112 -13.72914 1.000 120.19059 ? 718 GLN A CD    1 
ATOM   831  O OE1   . GLN A 1 141 ? -17.46621 -30.54140 -13.34040 1.000 118.54413 ? 718 GLN A OE1   1 
ATOM   832  N NE2   . GLN A 1 141 ? -17.83282 -32.75068 -13.35531 1.000 124.61998 ? 718 GLN A NE2   1 
ATOM   833  N N     . LYS A 1 142 ? -12.91690 -29.98028 -14.73966 1.000 94.62966  ? 719 LYS A N     1 
ATOM   834  C CA    . LYS A 1 142 ? -11.92535 -29.36566 -15.61044 1.000 92.80303  ? 719 LYS A CA    1 
ATOM   835  C C     . LYS A 1 142 ? -11.24902 -28.20863 -14.88208 1.000 91.62751  ? 719 LYS A C     1 
ATOM   836  O O     . LYS A 1 142 ? -11.88472 -27.49537 -14.09594 1.000 91.51511  ? 719 LYS A O     1 
ATOM   837  C CB    . LYS A 1 142 ? -12.56281 -28.87476 -16.91833 1.000 91.40807  ? 719 LYS A CB    1 
ATOM   838  N N     . GLU A 1 143 ? -9.94761  -28.03965 -15.12768 1.000 75.64254  ? 738 GLU A N     1 
ATOM   839  C CA    . GLU A 1 143 ? -9.23228  -26.90716 -14.55524 1.000 74.63402  ? 738 GLU A CA    1 
ATOM   840  C C     . GLU A 1 143 ? -9.46611  -25.60689 -15.32565 1.000 72.67697  ? 738 GLU A C     1 
ATOM   841  O O     . GLU A 1 143 ? -9.33558  -24.52879 -14.73480 1.000 71.76076  ? 738 GLU A O     1 
ATOM   842  C CB    . GLU A 1 143 ? -7.73236  -27.21862 -14.47625 1.000 75.76772  ? 738 GLU A CB    1 
ATOM   843  N N     . ASP A 1 144 ? -9.84240  -25.67289 -16.61924 1.000 82.96246  ? 739 ASP A N     1 
ATOM   844  C CA    . ASP A 1 144 ? -9.89097  -24.44907 -17.41896 1.000 81.29577  ? 739 ASP A CA    1 
ATOM   845  C C     . ASP A 1 144 ? -11.19552 -24.23367 -18.18432 1.000 80.10929  ? 739 ASP A C     1 
ATOM   846  O O     . ASP A 1 144 ? -11.60512 -23.08330 -18.34911 1.000 78.57670  ? 739 ASP A O     1 
ATOM   847  C CB    . ASP A 1 144 ? -8.70459  -24.41339 -18.40014 1.000 82.57538  ? 739 ASP A CB    1 
ATOM   848  C CG    . ASP A 1 144 ? -8.62518  -23.10417 -19.19728 1.000 81.31301  ? 739 ASP A CG    1 
ATOM   849  O OD1   . ASP A 1 144 ? -9.29172  -22.11214 -18.85365 1.000 79.12610  ? 739 ASP A OD1   1 
ATOM   850  O OD2   . ASP A 1 144 ? -7.88746  -23.06579 -20.19524 1.000 82.98128  ? 739 ASP A OD2   1 
ATOM   851  N N     . ILE A 1 145 ? -11.83343 -25.28009 -18.70095 1.000 63.31421  ? 740 ILE A N     1 
ATOM   852  C CA    . ILE A 1 145 ? -13.14040 -25.13905 -19.36385 1.000 62.70136  ? 740 ILE A CA    1 
ATOM   853  C C     . ILE A 1 145 ? -13.02064 -24.42691 -20.70676 1.000 62.68482  ? 740 ILE A C     1 
ATOM   854  O O     . ILE A 1 145 ? -13.77388 -24.71828 -21.64001 1.000 61.95399  ? 740 ILE A O     1 
ATOM   855  C CB    . ILE A 1 145 ? -14.17575 -24.43228 -18.45777 1.000 63.42726  ? 740 ILE A CB    1 
ATOM   856  C CG1   . ILE A 1 145 ? -14.82672 -25.44565 -17.52052 1.000 65.91195  ? 740 ILE A CG1   1 
ATOM   857  C CG2   . ILE A 1 145 ? -15.24999 -23.68441 -19.25256 1.000 62.98525  ? 740 ILE A CG2   1 
ATOM   858  C CD1   . ILE A 1 145 ? -16.09018 -24.90697 -16.87492 1.000 67.63944  ? 740 ILE A CD1   1 
ATOM   859  N N     . TYR A 1 146 ? -12.07769 -23.50538 -20.83416 1.000 71.48066  ? 741 TYR A N     1 
ATOM   860  C CA    . TYR A 1 146 ? -11.75462 -22.94119 -22.13520 1.000 70.62956  ? 741 TYR A CA    1 
ATOM   861  C C     . TYR A 1 146 ? -10.53916 -23.61721 -22.76140 1.000 74.10551  ? 741 TYR A C     1 
ATOM   862  O O     . TYR A 1 146 ? -10.13203 -23.24389 -23.86784 1.000 75.41517  ? 741 TYR A O     1 
ATOM   863  C CB    . TYR A 1 146 ? -11.53267 -21.42486 -22.01381 1.000 70.66208  ? 741 TYR A CB    1 
ATOM   864  C CG    . TYR A 1 146 ? -12.76702 -20.63990 -21.57452 1.000 68.62766  ? 741 TYR A CG    1 
ATOM   865  C CD1   . TYR A 1 146 ? -13.78881 -20.34956 -22.47282 1.000 67.51499  ? 741 TYR A CD1   1 
ATOM   866  C CD2   . TYR A 1 146 ? -12.91274 -20.19708 -20.27060 1.000 68.26190  ? 741 TYR A CD2   1 
ATOM   867  C CE1   . TYR A 1 146 ? -14.92618 -19.63299 -22.08992 1.000 65.63828  ? 741 TYR A CE1   1 
ATOM   868  C CE2   . TYR A 1 146 ? -14.03540 -19.48123 -19.87344 1.000 66.78732  ? 741 TYR A CE2   1 
ATOM   869  C CZ    . TYR A 1 146 ? -15.03794 -19.19913 -20.78990 1.000 65.23669  ? 741 TYR A CZ    1 
ATOM   870  O OH    . TYR A 1 146 ? -16.15220 -18.48606 -20.41920 1.000 63.20809  ? 741 TYR A OH    1 
ATOM   871  N N     . ALA A 1 147 ? -9.98282  -24.62626 -22.08175 1.000 60.44954  ? 742 ALA A N     1 
ATOM   872  C CA    . ALA A 1 147 ? -8.73668  -25.27484 -22.49588 1.000 62.34258  ? 742 ALA A CA    1 
ATOM   873  C C     . ALA A 1 147 ? -8.80065  -25.75973 -23.93526 1.000 63.18806  ? 742 ALA A C     1 
ATOM   874  O O     . ALA A 1 147 ? -7.95776  -25.40283 -24.76452 1.000 63.78398  ? 742 ALA A O     1 
ATOM   875  C CB    . ALA A 1 147 ? -8.43754  -26.44327 -21.56633 1.000 64.39354  ? 742 ALA A CB    1 
ATOM   876  N N     . TRP A 1 148 ? -9.79858  -26.58902 -24.24507 1.000 59.86030  ? 743 TRP A N     1 
ATOM   877  C CA    . TRP A 1 148 ? -9.87626  -27.18445 -25.57126 1.000 60.67954  ? 743 TRP A CA    1 
ATOM   878  C C     . TRP A 1 148 ? -9.99862  -26.13119 -26.66632 1.000 60.78861  ? 743 TRP A C     1 
ATOM   879  O O     . TRP A 1 148 ? -9.52187  -26.35517 -27.78854 1.000 62.17057  ? 743 TRP A O     1 
ATOM   880  C CB    . TRP A 1 148 ? -11.04318 -28.16014 -25.63327 1.000 60.81957  ? 743 TRP A CB    1 
ATOM   881  C CG    . TRP A 1 148 ? -12.40891 -27.53623 -25.68226 1.000 59.05084  ? 743 TRP A CG    1 
ATOM   882  C CD1   . TRP A 1 148 ? -13.18011 -27.15506 -24.61393 1.000 57.90835  ? 743 TRP A CD1   1 
ATOM   883  C CD2   . TRP A 1 148 ? -13.18909 -27.25953 -26.85434 1.000 59.70840  ? 743 TRP A CD2   1 
ATOM   884  N NE1   . TRP A 1 148 ? -14.38152 -26.65298 -25.04539 1.000 56.68535  ? 743 TRP A NE1   1 
ATOM   885  C CE2   . TRP A 1 148 ? -14.42365 -26.71026 -26.41324 1.000 57.92106  ? 743 TRP A CE2   1 
ATOM   886  C CE3   . TRP A 1 148 ? -12.96921 -27.42037 -28.22846 1.000 62.04951  ? 743 TRP A CE3   1 
ATOM   887  C CZ2   . TRP A 1 148 ? -15.42739 -26.31515 -27.29586 1.000 58.14150  ? 743 TRP A CZ2   1 
ATOM   888  C CZ3   . TRP A 1 148 ? -13.96794 -27.03519 -29.10675 1.000 62.80023  ? 743 TRP A CZ3   1 
ATOM   889  C CH2   . TRP A 1 148 ? -15.19020 -26.48506 -28.63189 1.000 60.55131  ? 743 TRP A CH2   1 
ATOM   890  N N     . LEU A 1 149 ? -10.62913 -24.98457 -26.36642 1.000 56.53819  ? 744 LEU A N     1 
ATOM   891  C CA    . LEU A 1 149 ? -10.71356 -23.90897 -27.35016 1.000 55.85994  ? 744 LEU A CA    1 
ATOM   892  C C     . LEU A 1 149 ? -9.34025  -23.30691 -27.63457 1.000 56.07944  ? 744 LEU A C     1 
ATOM   893  O O     . LEU A 1 149 ? -9.03584  -22.95705 -28.78051 1.000 56.21918  ? 744 LEU A O     1 
ATOM   894  C CB    . LEU A 1 149 ? -11.69193 -22.82900 -26.87272 1.000 53.96426  ? 744 LEU A CB    1 
ATOM   895  C CG    . LEU A 1 149 ? -13.12941 -23.33601 -26.77307 1.000 53.64370  ? 744 LEU A CG    1 
ATOM   896  C CD1   . LEU A 1 149 ? -13.96871 -22.53637 -25.77284 1.000 51.81071  ? 744 LEU A CD1   1 
ATOM   897  C CD2   . LEU A 1 149 ? -13.77667 -23.33551 -28.15445 1.000 55.01128  ? 744 LEU A CD2   1 
ATOM   898  N N     . LYS A 1 150 ? -8.49992  -23.17839 -26.61440 1.000 58.56851  ? 745 LYS A N     1 
ATOM   899  C CA    . LYS A 1 150 ? -7.15693  -22.65156 -26.84402 1.000 57.99953  ? 745 LYS A CA    1 
ATOM   900  C C     . LYS A 1 150 ? -6.29242  -23.64536 -27.62005 1.000 60.35611  ? 745 LYS A C     1 
ATOM   901  O O     . LYS A 1 150 ? -5.60310  -23.26179 -28.57262 1.000 60.76614  ? 745 LYS A O     1 
ATOM   902  C CB    . LYS A 1 150 ? -6.51522  -22.26645 -25.51108 1.000 58.42063  ? 745 LYS A CB    1 
ATOM   903  C CG    . LYS A 1 150 ? -7.32358  -21.22383 -24.75388 1.000 56.78666  ? 745 LYS A CG    1 
ATOM   904  C CD    . LYS A 1 150 ? -6.93809  -21.11876 -23.29533 1.000 58.11254  ? 745 LYS A CD    1 
ATOM   905  C CE    . LYS A 1 150 ? -7.96691  -20.27065 -22.53175 1.000 56.52400  ? 745 LYS A CE    1 
ATOM   906  N NZ    . LYS A 1 150 ? -7.61086  -20.06264 -21.08371 1.000 58.01785  ? 745 LYS A NZ    1 
ATOM   907  N N     . ARG A 1 151 ? -6.33405  -24.93374 -27.24199 1.000 69.05046  ? 746 ARG A N     1 
ATOM   908  C CA    . ARG A 1 151 ? -5.58819  -25.96192 -27.97236 1.000 71.10934  ? 746 ARG A CA    1 
ATOM   909  C C     . ARG A 1 151 ? -6.04884  -26.08149 -29.42372 1.000 72.21538  ? 746 ARG A C     1 
ATOM   910  O O     . ARG A 1 151 ? -5.26469  -26.46916 -30.29760 1.000 73.56543  ? 746 ARG A O     1 
ATOM   911  C CB    . ARG A 1 151 ? -5.71760  -27.31803 -27.27130 1.000 72.00568  ? 746 ARG A CB    1 
ATOM   912  N N     . ALA A 1 152 ? -7.30853  -25.76469 -29.70328 1.000 62.22116  ? 747 ALA A N     1 
ATOM   913  C CA    . ALA A 1 152 ? -7.83729  -25.83532 -31.05935 1.000 62.58404  ? 747 ALA A CA    1 
ATOM   914  C C     . ALA A 1 152 ? -7.65730  -24.53248 -31.82211 1.000 61.30643  ? 747 ALA A C     1 
ATOM   915  O O     . ALA A 1 152 ? -7.94550  -24.49119 -33.02297 1.000 62.06144  ? 747 ALA A O     1 
ATOM   916  C CB    . ALA A 1 152 ? -9.31836  -26.23355 -31.04153 1.000 62.79741  ? 747 ALA A CB    1 
ATOM   917  N N     . GLY A 1 153 ? -7.14130  -23.49343 -31.16304 1.000 74.07790  ? 748 GLY A N     1 
ATOM   918  C CA    . GLY A 1 153 ? -6.99107  -22.18489 -31.74935 1.000 72.62915  ? 748 GLY A CA    1 
ATOM   919  C C     . GLY A 1 153 ? -8.23204  -21.32205 -31.71961 1.000 70.52941  ? 748 GLY A C     1 
ATOM   920  O O     . GLY A 1 153 ? -8.18499  -20.20009 -32.23308 1.000 69.87610  ? 748 GLY A O     1 
ATOM   921  N N     . LYS A 1 154 ? -9.33684  -21.79638 -31.13383 1.000 60.67617  ? 749 LYS A N     1 
ATOM   922  C CA    . LYS A 1 154 ? -10.62370 -21.12584 -31.24280 1.000 58.93314  ? 749 LYS A CA    1 
ATOM   923  C C     . LYS A 1 154 ? -10.89756 -20.15217 -30.09666 1.000 56.76335  ? 749 LYS A C     1 
ATOM   924  O O     . LYS A 1 154 ? -12.05552 -19.75705 -29.88733 1.000 55.63903  ? 749 LYS A O     1 
ATOM   925  C CB    . LYS A 1 154 ? -11.74574 -22.16770 -31.32552 1.000 60.98123  ? 749 LYS A CB    1 
ATOM   926  C CG    . LYS A 1 154 ? -11.49268 -23.23045 -32.36968 1.000 63.95749  ? 749 LYS A CG    1 
ATOM   927  C CD    . LYS A 1 154 ? -12.72210 -24.05705 -32.67539 1.000 66.35262  ? 749 LYS A CD    1 
ATOM   928  C CE    . LYS A 1 154 ? -12.72074 -24.46733 -34.13620 1.000 68.47130  ? 749 LYS A CE    1 
ATOM   929  N NZ    . LYS A 1 154 ? -12.69723 -23.24265 -35.01119 1.000 66.73324  ? 749 LYS A NZ    1 
ATOM   930  N N     . PHE A 1 155 ? -9.87603  -19.76034 -29.35107 1.000 63.72428  ? 750 PHE A N     1 
ATOM   931  C CA    . PHE A 1 155 ? -10.04094 -18.86678 -28.21719 1.000 61.63007  ? 750 PHE A CA    1 
ATOM   932  C C     . PHE A 1 155 ? -9.35728  -17.52945 -28.49224 1.000 59.55048  ? 750 PHE A C     1 
ATOM   933  O O     . PHE A 1 155 ? -8.15580  -17.47915 -28.78881 1.000 59.75982  ? 750 PHE A O     1 
ATOM   934  C CB    . PHE A 1 155 ? -9.49335  -19.50840 -26.94995 1.000 61.59556  ? 750 PHE A CB    1 
ATOM   935  C CG    . PHE A 1 155 ? -9.76039  -18.70672 -25.71983 1.000 59.96350  ? 750 PHE A CG    1 
ATOM   936  C CD1   . PHE A 1 155 ? -11.02529 -18.70304 -25.14719 1.000 59.62061  ? 750 PHE A CD1   1 
ATOM   937  C CD2   . PHE A 1 155 ? -8.74865  -17.94212 -25.13958 1.000 58.94156  ? 750 PHE A CD2   1 
ATOM   938  C CE1   . PHE A 1 155 ? -11.28840 -17.94827 -23.99910 1.000 58.16627  ? 750 PHE A CE1   1 
ATOM   939  C CE2   . PHE A 1 155 ? -8.98366  -17.19771 -23.99604 1.000 57.73226  ? 750 PHE A CE2   1 
ATOM   940  C CZ    . PHE A 1 155 ? -10.26668 -17.19649 -23.41917 1.000 57.17154  ? 750 PHE A CZ    1 
ATOM   941  N N     . LYS A 1 156 ? -10.12803 -16.45148 -28.39170 1.000 62.48810  ? 751 LYS A N     1 
ATOM   942  C CA    . LYS A 1 156 ? -9.61196  -15.10113 -28.55014 1.000 61.33807  ? 751 LYS A CA    1 
ATOM   943  C C     . LYS A 1 156 ? -9.68449  -14.40355 -27.19521 1.000 60.18888  ? 751 LYS A C     1 
ATOM   944  O O     . LYS A 1 156 ? -10.77948 -14.12547 -26.69096 1.000 58.99871  ? 751 LYS A O     1 
ATOM   945  C CB    . LYS A 1 156 ? -10.39366 -14.35877 -29.62598 1.000 60.50637  ? 751 LYS A CB    1 
ATOM   946  C CG    . LYS A 1 156 ? -10.24002 -14.97591 -31.00300 1.000 62.70921  ? 751 LYS A CG    1 
ATOM   947  C CD    . LYS A 1 156 ? -8.75776  -15.14264 -31.42157 1.000 63.78788  ? 751 LYS A CD    1 
ATOM   948  C CE    . LYS A 1 156 ? -8.08107  -13.85072 -31.91750 1.000 64.32927  ? 751 LYS A CE    1 
ATOM   949  N NZ    . LYS A 1 156 ? -6.86511  -14.12345 -32.75336 1.000 66.51979  ? 751 LYS A NZ    1 
ATOM   950  N N     . ALA A 1 157 ? -8.52267  -14.13183 -26.60234 1.000 53.40239  ? 752 ALA A N     1 
ATOM   951  C CA    . ALA A 1 157 ? -8.49140  -13.63324 -25.23695 1.000 53.34014  ? 752 ALA A CA    1 
ATOM   952  C C     . ALA A 1 157 ? -8.87554  -12.16286 -25.21107 1.000 53.24511  ? 752 ALA A C     1 
ATOM   953  O O     . ALA A 1 157 ? -8.45417  -11.38711 -26.07381 1.000 54.30097  ? 752 ALA A O     1 
ATOM   954  C CB    . ALA A 1 157 ? -7.10756  -13.82821 -24.61347 1.000 55.24818  ? 752 ALA A CB    1 
ATOM   955  N N     . THR A 1 158 ? -9.69428  -11.78598 -24.22944 1.000 56.38100  ? 753 THR A N     1 
ATOM   956  C CA    . THR A 1 158 ? -9.99197  -10.38649 -23.95067 1.000 56.35630  ? 753 THR A CA    1 
ATOM   957  C C     . THR A 1 158 ? -9.36422  -9.98009  -22.62012 1.000 57.13895  ? 753 THR A C     1 
ATOM   958  O O     . THR A 1 158 ? -8.98002  -10.83435 -21.81528 1.000 57.25234  ? 753 THR A O     1 
ATOM   959  C CB    . THR A 1 158 ? -11.50839 -10.12362 -23.91554 1.000 55.85177  ? 753 THR A CB    1 
ATOM   960  O OG1   . THR A 1 158 ? -12.10383 -10.88430 -22.86998 1.000 55.84458  ? 753 THR A OG1   1 
ATOM   961  C CG2   . THR A 1 158 ? -12.15426 -10.48619 -25.22373 1.000 55.48111  ? 753 THR A CG2   1 
ATOM   962  N N     . GLN A 1 159 ? -9.25605  -8.66446  -22.39219 1.000 73.08078  ? 754 GLN A N     1 
ATOM   963  C CA    . GLN A 1 159 ? -8.71089  -8.12998  -21.14812 1.000 74.27353  ? 754 GLN A CA    1 
ATOM   964  C C     . GLN A 1 159 ? -9.80422  -7.53197  -20.27534 1.000 74.97278  ? 754 GLN A C     1 
ATOM   965  O O     . GLN A 1 159 ? -10.86510 -7.12269  -20.75744 1.000 75.50450  ? 754 GLN A O     1 
ATOM   966  C CB    . GLN A 1 159 ? -7.64301  -7.06600  -21.40423 1.000 73.98481  ? 754 GLN A CB    1 
ATOM   967  C CG    . GLN A 1 159 ? -6.26871  -7.65105  -21.61575 1.000 75.06591  ? 754 GLN A CG    1 
ATOM   968  C CD    . GLN A 1 159 ? -6.11680  -8.22548  -22.99974 1.000 74.74819  ? 754 GLN A CD    1 
ATOM   969  O OE1   . GLN A 1 159 ? -6.95167  -7.97867  -23.87692 1.000 74.33387  ? 754 GLN A OE1   1 
ATOM   970  N NE2   . GLN A 1 159 ? -5.05406  -8.99416  -23.21129 1.000 74.47414  ? 754 GLN A NE2   1 
ATOM   971  N N     . ARG A 1 160 ? -9.51736  -7.47649  -18.97689 1.000 62.49807  ? 755 ARG A N     1 
ATOM   972  C CA    . ARG A 1 160 ? -10.43585 -6.95908  -17.97649 1.000 63.23444  ? 755 ARG A CA    1 
ATOM   973  C C     . ARG A 1 160 ? -10.19242 -5.47971  -17.73065 1.000 65.13756  ? 755 ARG A C     1 
ATOM   974  O O     . ARG A 1 160 ? -9.10091  -4.95119  -17.96679 1.000 64.28923  ? 755 ARG A O     1 
ATOM   975  C CB    . ARG A 1 160 ? -10.29793 -7.69978  -16.64581 1.000 64.05792  ? 755 ARG A CB    1 
ATOM   976  C CG    . ARG A 1 160 ? -10.50461 -9.17977  -16.69891 1.000 62.53071  ? 755 ARG A CG    1 
ATOM   977  C CD    . ARG A 1 160 ? -10.40395 -9.78003  -15.29871 1.000 62.77974  ? 755 ARG A CD    1 
ATOM   978  N NE    . ARG A 1 160 ? -11.68128 -10.35462 -14.87836 1.000 63.01497  ? 755 ARG A NE    1 
ATOM   979  C CZ    . ARG A 1 160 ? -12.39589 -9.94190  -13.83704 1.000 64.32488  ? 755 ARG A CZ    1 
ATOM   980  N NH1   . ARG A 1 160 ? -11.96585 -8.97274  -13.04561 1.000 66.50258  ? 755 ARG A NH1   1 
ATOM   981  N NH2   . ARG A 1 160 ? -13.57057 -10.51987 -13.58228 1.000 62.52724  ? 755 ARG A NH2   1 
ATOM   982  N N     . THR A 1 161 ? -11.23286 -4.81593  -17.23170 1.000 73.09243  ? 756 THR A N     1 
ATOM   983  C CA    . THR A 1 161 ? -11.13404 -3.46892  -16.68184 1.000 74.36324  ? 756 THR A CA    1 
ATOM   984  C C     . THR A 1 161 ? -11.47181 -3.54136  -15.19597 1.000 77.06487  ? 756 THR A C     1 
ATOM   985  O O     . THR A 1 161 ? -12.59016 -3.92084  -14.83038 1.000 76.02516  ? 756 THR A O     1 
ATOM   986  C CB    . THR A 1 161 ? -12.07519 -2.50892  -17.41469 1.000 72.45623  ? 756 THR A CB    1 
ATOM   987  O OG1   . THR A 1 161 ? -11.75822 -2.50217  -18.81372 1.000 71.25353  ? 756 THR A OG1   1 
ATOM   988  C CG2   . THR A 1 161 ? -11.94043 -1.08414  -16.85930 1.000 72.69120  ? 756 THR A CG2   1 
ATOM   989  N N     . GLU A 1 162 ? -10.51041 -3.20122  -14.33914 1.000 79.99594  ? 757 GLU A N     1 
ATOM   990  C CA    . GLU A 1 162 ? -10.73276 -3.28806  -12.90184 1.000 82.33738  ? 757 GLU A CA    1 
ATOM   991  C C     . GLU A 1 162 ? -11.15602 -1.94216  -12.32251 1.000 83.37043  ? 757 GLU A C     1 
ATOM   992  O O     . GLU A 1 162 ? -10.95012 -0.88772  -12.92405 1.000 81.28929  ? 757 GLU A O     1 
ATOM   993  C CB    . GLU A 1 162 ? -9.48041  -3.79145  -12.17145 1.000 82.70250  ? 757 GLU A CB    1 
ATOM   994  C CG    . GLU A 1 162 ? -8.99168  -5.18642  -12.57382 1.000 80.55847  ? 757 GLU A CG    1 
ATOM   995  C CD    . GLU A 1 162 ? -9.94337  -6.31343  -12.17277 1.000 80.52222  ? 757 GLU A CD    1 
ATOM   996  O OE1   . GLU A 1 162 ? -10.96299 -6.04675  -11.48622 1.000 82.14366  ? 757 GLU A OE1   1 
ATOM   997  O OE2   . GLU A 1 162 ? -9.66401  -7.48009  -12.54477 1.000 78.45178  ? 757 GLU A OE2   1 
ATOM   998  N N     . GLY A 1 163 ? -11.77116 -2.00437  -11.13874 1.000 75.27118  ? 758 GLY A N     1 
ATOM   999  C CA    . GLY A 1 163 ? -12.12797 -0.84687  -10.33929 1.000 75.61542  ? 758 GLY A CA    1 
ATOM   1000 C C     . GLY A 1 163 ? -13.33113 -0.06011  -10.80841 1.000 73.05999  ? 758 GLY A C     1 
ATOM   1001 O O     . GLY A 1 163 ? -13.59482 1.02888   -10.28320 1.000 73.10397  ? 758 GLY A O     1 
ATOM   1002 N N     . VAL A 1 164 ? -14.07660 -0.56813  -11.77949 1.000 95.19706  ? 759 VAL A N     1 
ATOM   1003 C CA    . VAL A 1 164 ? -15.16151 0.18396   -12.38129 1.000 93.08174  ? 759 VAL A CA    1 
ATOM   1004 C C     . VAL A 1 164 ? -16.50886 -0.47138  -12.11772 1.000 92.30030  ? 759 VAL A C     1 
ATOM   1005 O O     . VAL A 1 164 ? -17.51073 -0.09126  -12.73131 1.000 90.65747  ? 759 VAL A O     1 
ATOM   1006 C CB    . VAL A 1 164 ? -14.91348 0.37610   -13.88504 1.000 90.96951  ? 759 VAL A CB    1 
ATOM   1007 C CG1   . VAL A 1 164 ? -13.64136 1.20945   -14.10527 1.000 91.51425  ? 759 VAL A CG1   1 
ATOM   1008 C CG2   . VAL A 1 164 ? -14.77576 -0.97025  -14.55426 1.000 89.84488  ? 759 VAL A CG2   1 
ATOM   1009 N N     . SER A 1 165 ? -16.56094 -1.43725  -11.20065 1.000 94.64804  ? 760 SER A N     1 
ATOM   1010 C CA    . SER A 1 165 ? -17.77992 -2.18419  -10.93847 1.000 93.53476  ? 760 SER A CA    1 
ATOM   1011 C C     . SER A 1 165 ? -18.75644 -1.35732  -10.10876 1.000 94.63868  ? 760 SER A C     1 
ATOM   1012 O O     . SER A 1 165 ? -18.38771 -0.38784  -9.43952  1.000 96.21117  ? 760 SER A O     1 
ATOM   1013 C CB    . SER A 1 165 ? -17.46960 -3.49689  -10.21970 1.000 95.21487  ? 760 SER A CB    1 
ATOM   1014 O OG    . SER A 1 165 ? -17.53268 -3.33207  -8.81766  1.000 97.56656  ? 760 SER A OG    1 
ATOM   1015 N N     . THR A 1 166 ? -20.02578 -1.76418  -10.16739 1.000 76.42259  ? 761 THR A N     1 
ATOM   1016 C CA    . THR A 1 166 ? -21.08131 -1.06588  -9.44079  1.000 76.81788  ? 761 THR A CA    1 
ATOM   1017 C C     . THR A 1 166 ? -20.90279 -1.19630  -7.93123  1.000 81.04172  ? 761 THR A C     1 
ATOM   1018 O O     . THR A 1 166 ? -21.08572 -0.21937  -7.19831  1.000 84.02378  ? 761 THR A O     1 
ATOM   1019 C CB    . THR A 1 166 ? -22.45452 -1.59856  -9.86105  1.000 70.64457  ? 761 THR A CB    1 
ATOM   1020 O OG1   . THR A 1 166 ? -22.58753 -2.95556  -9.41420  1.000 69.88666  ? 761 THR A OG1   1 
ATOM   1021 C CG2   . THR A 1 166 ? -22.62831 -1.54928  -11.37475 1.000 68.27965  ? 761 THR A CG2   1 
ATOM   1022 N N     . THR A 1 167 ? -20.56099 -2.39157  -7.43953  1.000 74.48039  ? 762 THR A N     1 
ATOM   1023 C CA    . THR A 1 167 ? -20.20553 -2.51696  -6.02852  1.000 78.75398  ? 762 THR A CA    1 
ATOM   1024 C C     . THR A 1 167 ? -19.08116 -1.54747  -5.65805  1.000 82.74092  ? 762 THR A C     1 
ATOM   1025 O O     . THR A 1 167 ? -19.08643 -0.96357  -4.56594  1.000 86.74440  ? 762 THR A O     1 
ATOM   1026 C CB    . THR A 1 167 ? -19.80339 -3.96315  -5.68799  1.000 77.00615  ? 762 THR A CB    1 
ATOM   1027 O OG1   . THR A 1 167 ? -18.45185 -3.98331  -5.20473  1.000 79.61863  ? 762 THR A OG1   1 
ATOM   1028 C CG2   . THR A 1 167 ? -19.92988 -4.90951  -6.89626  1.000 72.48200  ? 762 THR A CG2   1 
ATOM   1029 N N     . ASP A 1 168 ? -18.12005 -1.34587  -6.56975  1.000 80.57794  ? 763 ASP A N     1 
ATOM   1030 C CA    . ASP A 1 168 ? -17.03571 -0.40146  -6.31739  1.000 83.10385  ? 763 ASP A CA    1 
ATOM   1031 C C     . ASP A 1 168 ? -17.54777 1.02364   -6.21689  1.000 84.98631  ? 763 ASP A C     1 
ATOM   1032 O O     . ASP A 1 168 ? -16.90640 1.87690   -5.58990  1.000 88.46072  ? 763 ASP A O     1 
ATOM   1033 C CB    . ASP A 1 168 ? -15.98223 -0.47120  -7.42763  1.000 81.36406  ? 763 ASP A CB    1 
ATOM   1034 C CG    . ASP A 1 168 ? -15.36447 -1.85499  -7.58272  1.000 81.14826  ? 763 ASP A CG    1 
ATOM   1035 O OD1   . ASP A 1 168 ? -15.50293 -2.70252  -6.66345  1.000 81.41176  ? 763 ASP A OD1   1 
ATOM   1036 O OD2   . ASP A 1 168 ? -14.72999 -2.08223  -8.64180  1.000 79.77246  ? 763 ASP A OD2   1 
ATOM   1037 N N     . LEU A 1 169 ? -18.67892 1.30638   -6.85420  1.000 84.00210  ? 764 LEU A N     1 
ATOM   1038 C CA    . LEU A 1 169 ? -19.18721 2.66841   -6.88129  1.000 83.93141  ? 764 LEU A CA    1 
ATOM   1039 C C     . LEU A 1 169 ? -19.96328 3.00018   -5.61751  1.000 87.77327  ? 764 LEU A C     1 
ATOM   1040 O O     . LEU A 1 169 ? -19.99627 4.16265   -5.21105  1.000 90.33137  ? 764 LEU A O     1 
ATOM   1041 C CB    . LEU A 1 169 ? -20.06590 2.88829   -8.12005  1.000 79.00825  ? 764 LEU A CB    1 
ATOM   1042 C CG    . LEU A 1 169 ? -19.55318 2.59998   -9.54902  1.000 76.54478  ? 764 LEU A CG    1 
ATOM   1043 C CD1   . LEU A 1 169 ? -20.53151 3.16949   -10.57050 1.000 74.12037  ? 764 LEU A CD1   1 
ATOM   1044 C CD2   . LEU A 1 169 ? -18.12417 3.09525   -9.82934  1.000 78.44052  ? 764 LEU A CD2   1 
ATOM   1045 N N     . ILE A 1 170 ? -20.58877 2.00920   -4.98191  1.000 71.44798  ? 765 ILE A N     1 
ATOM   1046 C CA    . ILE A 1 170 ? -21.19452 2.26164   -3.68008  1.000 74.19607  ? 765 ILE A CA    1 
ATOM   1047 C C     . ILE A 1 170 ? -20.11519 2.48931   -2.63989  1.000 78.16051  ? 765 ILE A C     1 
ATOM   1048 O O     . ILE A 1 170 ? -20.24791 3.35536   -1.76437  1.000 82.23146  ? 765 ILE A O     1 
ATOM   1049 C CB    . ILE A 1 170 ? -22.11902 1.10349   -3.27951  1.000 71.67029  ? 765 ILE A CB    1 
ATOM   1050 C CG1   . ILE A 1 170 ? -23.13752 0.87050   -4.38328  1.000 67.93120  ? 765 ILE A CG1   1 
ATOM   1051 C CG2   . ILE A 1 170 ? -22.82142 1.41317   -1.96415  1.000 74.84756  ? 765 ILE A CG2   1 
ATOM   1052 C CD1   . ILE A 1 170 ? -23.82912 2.14456   -4.79823  1.000 69.40296  ? 765 ILE A CD1   1 
ATOM   1053 N N     . VAL A 1 171 ? -19.03314 1.70732   -2.71516  1.000 97.62535  ? 766 VAL A N     1 
ATOM   1054 C CA    . VAL A 1 171 ? -17.86602 1.95732   -1.87408  1.000 101.02328 ? 766 VAL A CA    1 
ATOM   1055 C C     . VAL A 1 171 ? -17.41187 3.39953   -2.03568  1.000 103.10996 ? 766 VAL A C     1 
ATOM   1056 O O     . VAL A 1 171 ? -17.07492 4.07698   -1.05560  1.000 106.77899 ? 766 VAL A O     1 
ATOM   1057 C CB    . VAL A 1 171 ? -16.73840 0.96174   -2.21199  1.000 98.06405  ? 766 VAL A CB    1 
ATOM   1058 C CG1   . VAL A 1 171 ? -15.48347 1.27913   -1.41766  1.000 102.85434 ? 766 VAL A CG1   1 
ATOM   1059 C CG2   . VAL A 1 171 ? -17.18772 -0.45868  -1.93427  1.000 95.41172  ? 766 VAL A CG2   1 
ATOM   1060 N N     . ARG A 1 172 ? -17.42047 3.89939   -3.27705  1.000 96.20578  ? 767 ARG A N     1 
ATOM   1061 C CA    . ARG A 1 172 ? -17.12497 5.30960   -3.50672  1.000 96.90458  ? 767 ARG A CA    1 
ATOM   1062 C C     . ARG A 1 172 ? -18.16361 6.21236   -2.83988  1.000 99.74264  ? 767 ARG A C     1 
ATOM   1063 O O     . ARG A 1 172 ? -17.80463 7.20178   -2.19135  1.000 103.45389 ? 767 ARG A O     1 
ATOM   1064 C CB    . ARG A 1 172 ? -17.03952 5.60096   -5.00517  1.000 92.74400  ? 767 ARG A CB    1 
ATOM   1065 C CG    . ARG A 1 172 ? -16.61993 7.02764   -5.28832  1.000 95.10230  ? 767 ARG A CG    1 
ATOM   1066 C CD    . ARG A 1 172 ? -16.93251 7.45294   -6.69682  1.000 91.98704  ? 767 ARG A CD    1 
ATOM   1067 N NE    . ARG A 1 172 ? -16.18442 6.63191   -7.62884  1.000 88.98510  ? 767 ARG A NE    1 
ATOM   1068 C CZ    . ARG A 1 172 ? -16.18945 6.79657   -8.93953  1.000 86.44465  ? 767 ARG A CZ    1 
ATOM   1069 N NH1   . ARG A 1 172 ? -16.87084 7.77652   -9.50848  1.000 86.48824  ? 767 ARG A NH1   1 
ATOM   1070 N NH2   . ARG A 1 172 ? -15.50195 5.94979   -9.69884  1.000 84.19172  ? 767 ARG A NH2   1 
ATOM   1071 N N     . ILE A 1 173 ? -19.45459 5.88394   -2.97158  1.000 112.66059 ? 768 ILE A N     1 
ATOM   1072 C CA    . ILE A 1 173 ? -20.49600 6.67828   -2.31677  1.000 114.40372 ? 768 ILE A CA    1 
ATOM   1073 C C     . ILE A 1 173 ? -20.34460 6.63713   -0.80444  1.000 121.64104 ? 768 ILE A C     1 
ATOM   1074 O O     . ILE A 1 173 ? -20.65902 7.61524   -0.11258  1.000 124.71954 ? 768 ILE A O     1 
ATOM   1075 C CB    . ILE A 1 173 ? -21.88984 6.19314   -2.74367  1.000 108.87636 ? 768 ILE A CB    1 
ATOM   1076 C CG1   . ILE A 1 173 ? -22.03637 6.33742   -4.24408  1.000 103.51747 ? 768 ILE A CG1   1 
ATOM   1077 C CG2   . ILE A 1 173 ? -22.98085 6.99149   -2.04852  1.000 110.91946 ? 768 ILE A CG2   1 
ATOM   1078 C CD1   . ILE A 1 173 ? -23.13119 5.49892   -4.80305  1.000 99.38951  ? 768 ILE A CD1   1 
ATOM   1079 N N     . LEU A 1 174 ? -19.84455 5.52765   -0.26210  1.000 111.77619 ? 769 LEU A N     1 
ATOM   1080 C CA    . LEU A 1 174 ? -19.55363 5.46699   1.16337   1.000 117.55216 ? 769 LEU A CA    1 
ATOM   1081 C C     . LEU A 1 174 ? -18.34024 6.33001   1.50165   1.000 120.21492 ? 769 LEU A C     1 
ATOM   1082 O O     . LEU A 1 174 ? -17.51083 5.94993   2.33382   1.000 120.91781 ? 769 LEU A O     1 
ATOM   1083 C CB    . LEU A 1 174 ? -19.33247 4.01847   1.60152   1.000 116.29808 ? 769 LEU A CB    1 
ATOM   1084 N N     . LYS A 1 175 ? -18.22658 7.48807   0.84598   1.000 141.59033 ? 770 LYS A N     1 
ATOM   1085 C CA    . LYS A 1 175 ? -17.24794 8.51332   1.18203   1.000 143.50068 ? 770 LYS A CA    1 
ATOM   1086 C C     . LYS A 1 175 ? -17.90938 9.85705   1.46371   1.000 145.15817 ? 770 LYS A C     1 
ATOM   1087 O O     . LYS A 1 175 ? -17.20239 10.85737  1.64397   1.000 148.23897 ? 770 LYS A O     1 
ATOM   1088 C CB    . LYS A 1 175 ? -16.21335 8.66905   0.06203   1.000 141.01485 ? 770 LYS A CB    1 
ATOM   1089 N N     . ASN A 1 176 ? -19.24376 9.91150   1.48870   1.000 120.54130 ? 771 ASN A N     1 
ATOM   1090 C CA    . ASN A 1 176 ? -19.97888 11.10641  1.88394   1.000 123.77560 ? 771 ASN A CA    1 
ATOM   1091 C C     . ASN A 1 176 ? -20.58062 10.97612  3.27681   1.000 127.49425 ? 771 ASN A C     1 
ATOM   1092 O O     . ASN A 1 176 ? -21.36129 11.84226  3.68847   1.000 130.19783 ? 771 ASN A O     1 
ATOM   1093 C CB    . ASN A 1 176 ? -21.07760 11.42349  0.86627   1.000 120.40874 ? 771 ASN A CB    1 
ATOM   1094 N N     . TYR A 1 177 ? -20.23513 9.91597   4.00748   1.000 146.29044 ? 772 TYR A N     1 
ATOM   1095 C CA    . TYR A 1 177 ? -20.73700 9.70094   5.36228   1.000 151.98592 ? 772 TYR A CA    1 
ATOM   1096 C C     . TYR A 1 177 ? -19.67332 9.08307   6.26968   1.000 156.88241 ? 772 TYR A C     1 
ATOM   1097 O O     . TYR A 1 177 ? -18.80783 8.33242   5.81898   1.000 151.74983 ? 772 TYR A O     1 
ATOM   1098 C CB    . TYR A 1 177 ? -21.97916 8.81069   5.33524   1.000 150.41078 ? 772 TYR A CB    1 
ATOM   1099 C CG    . TYR A 1 177 ? -23.05508 9.29764   4.39093   1.000 143.58931 ? 772 TYR A CG    1 
ATOM   1100 C CD1   . TYR A 1 177 ? -23.10977 8.84050   3.07784   1.000 132.84053 ? 772 TYR A CD1   1 
ATOM   1101 C CD2   . TYR A 1 177 ? -24.01101 10.22130  4.80723   1.000 148.33116 ? 772 TYR A CD2   1 
ATOM   1102 C CE1   . TYR A 1 177 ? -24.09208 9.28517   2.20308   1.000 130.19409 ? 772 TYR A CE1   1 
ATOM   1103 C CE2   . TYR A 1 177 ? -24.99965 10.67289  3.94324   1.000 143.65180 ? 772 TYR A CE2   1 
ATOM   1104 C CZ    . TYR A 1 177 ? -25.03693 10.20142  2.63905   1.000 135.17901 ? 772 TYR A CZ    1 
ATOM   1105 O OH    . TYR A 1 177 ? -26.01393 10.64018  1.76317   1.000 132.99286 ? 772 TYR A OH    1 
HETATM 1106 N N1    . CDC B 2 .   ? -14.83411 -8.81348  -17.57127 1.000 65.10562  ? 801 CDC A N1    1 
HETATM 1107 C C2    . CDC B 2 .   ? -13.85617 -7.75459  -17.93201 1.000 70.90562  ? 801 CDC A C2    1 
HETATM 1108 N N3    . CDC B 2 .   ? -13.58212 -6.89837  -16.80333 1.000 69.16562  ? 801 CDC A N3    1 
HETATM 1109 C C4    . CDC B 2 .   ? -14.13583 -7.03686  -15.58287 1.000 69.63562  ? 801 CDC A C4    1 
HETATM 1110 C C5    . CDC B 2 .   ? -15.09534 -8.10894  -15.30629 1.000 67.54562  ? 801 CDC A C5    1 
HETATM 1111 C C6    . CDC B 2 .   ? -15.38739 -8.95010  -16.34228 1.000 62.80562  ? 801 CDC A C6    1 
HETATM 1112 O O2    . CDC B 2 .   ? -13.37905 -7.63940  -18.99669 1.000 74.45562  ? 801 CDC A O2    1 
HETATM 1113 N N4    . CDC B 2 .   ? -13.78425 -6.15139  -14.60387 1.000 82.04562  ? 801 CDC A N4    1 
HETATM 1114 C "C1'" . CDC B 2 .   ? -15.15614 -9.71533  -18.66936 1.000 62.20562  ? 801 CDC A "C1'" 1 
HETATM 1115 C "C2'" . CDC B 2 .   ? -14.68836 -11.12534 -18.30139 1.000 67.44562  ? 801 CDC A "C2'" 1 
HETATM 1116 O "O2'" . CDC B 2 .   ? -13.33205 -11.31568 -18.73937 1.000 70.96562  ? 801 CDC A "O2'" 1 
HETATM 1117 C "C3'" . CDC B 2 .   ? -15.60876 -11.93976 -19.21615 1.000 65.72562  ? 801 CDC A "C3'" 1 
HETATM 1118 C "C4'" . CDC B 2 .   ? -16.93035 -11.07481 -19.33092 1.000 57.55562  ? 801 CDC A "C4'" 1 
HETATM 1119 O "O4'" . CDC B 2 .   ? -16.58205 -9.78008  -18.86086 1.000 63.29562  ? 801 CDC A "O4'" 1 
HETATM 1120 O "O3'" . CDC B 2 .   ? -14.95863 -12.11597 -20.42721 1.000 63.34562  ? 801 CDC A "O3'" 1 
HETATM 1121 C "C5'" . CDC B 2 .   ? -18.03891 -11.67151 -18.43467 1.000 62.60562  ? 801 CDC A "C5'" 1 
HETATM 1122 O "O5'" . CDC B 2 .   ? -17.53769 -11.98327 -17.20558 1.000 62.05562  ? 801 CDC A "O5'" 1 
HETATM 1123 P PA    . CDC B 2 .   ? -18.51082 -12.38208 -15.83256 1.000 69.36562  ? 801 CDC A PA    1 
HETATM 1124 O O1A   . CDC B 2 .   ? -17.82855 -11.96665 -14.56397 1.000 73.13562  ? 801 CDC A O1A   1 
HETATM 1125 O O2A   . CDC B 2 .   ? -19.82541 -11.75007 -16.15914 1.000 64.05562  ? 801 CDC A O2A   1 
HETATM 1126 O O3A   . CDC B 2 .   ? -18.79526 -13.95657 -15.76179 1.000 68.15562  ? 801 CDC A O3A   1 
HETATM 1127 P PB    . CDC B 2 .   ? -17.86912 -15.11500 -15.96768 1.000 66.63562  ? 801 CDC A PB    1 
HETATM 1128 O O1B   . CDC B 2 .   ? -18.40681 -16.21669 -17.29167 1.000 68.47562  ? 801 CDC A O1B   1 
HETATM 1129 O O2B   . CDC B 2 .   ? -16.51459 -14.80409 -16.52891 1.000 65.10562  ? 801 CDC A O2B   1 
HETATM 1130 O O3B   . CDC B 2 .   ? -17.93114 -16.06038 -14.81668 1.000 67.31562  ? 801 CDC A O3B   1 
HETATM 1131 C C14   . CDC B 2 .   ? -18.13853 -17.51634 -17.23431 1.000 69.37562  ? 801 CDC A C14   1 
HETATM 1132 C C15   . CDC B 2 .   ? -19.49409 -18.32854 -17.07626 1.000 65.60562  ? 801 CDC A C15   1 
HETATM 1133 N N11   . CDC B 2 .   ? -19.46050 -19.41826 -18.10202 1.000 67.30562  ? 801 CDC A N11   1 
HETATM 1134 C C16   . CDC B 2 .   ? -19.09175 -18.82697 -19.39530 1.000 60.66562  ? 801 CDC A C16   1 
HETATM 1135 C C17   . CDC B 2 .   ? -18.44518 -20.47085 -17.73970 1.000 66.94562  ? 801 CDC A C17   1 
HETATM 1136 C C18   . CDC B 2 .   ? -20.78680 -20.03340 -18.26346 1.000 66.78562  ? 801 CDC A C18   1 
HETATM 1137 O O     . HOH C 3 .   ? -9.96263  -18.47879 -19.40083 1.000 67.13562  ? 901 HOH A O     1 
HETATM 1138 O O     . HOH C 3 .   ? -24.16029 -29.16014 -33.14704 1.000 67.13562  ? 902 HOH A O     1 
HETATM 1139 O O     . HOH C 3 .   ? -21.51169 -20.88330 -23.02480 1.000 67.13562  ? 903 HOH A O     1 
HETATM 1140 O O     . HOH C 3 .   ? -36.79506 -10.15437 -13.62678 1.000 66.81562  ? 904 HOH A O     1 
HETATM 1141 O O     . HOH C 3 .   ? -12.00857 -9.75215  -20.47982 1.000 67.13562  ? 905 HOH A O     1 
HETATM 1142 O O     . HOH C 3 .   ? -35.85531 -6.09619  -16.91704 1.000 67.13562  ? 906 HOH A O     1 
HETATM 1143 O O     . HOH C 3 .   ? -7.59065  -12.01144 -28.82961 1.000 67.13562  ? 907 HOH A O     1 
HETATM 1144 O O     . HOH C 3 .   ? -15.859   2.488     -31.589   1.000 66.81562  ? 908 HOH A O     1 
HETATM 1145 O O     . HOH C 3 .   ? -18.09113 -5.66104  -37.38132 1.000 67.13562  ? 909 HOH A O     1 
HETATM 1146 O O     . HOH C 3 .   ? -19.208   3.750     -32.128   1.000 67.13562  ? 910 HOH A O     1 
HETATM 1147 O O     . HOH C 3 .   ? -17.64841 -7.89284  -11.13393 1.000 27.48562  ? 911 HOH A O     1 
HETATM 1148 O O     . HOH C 3 .   ? -21.71699 -22.66903 -24.90768 1.000 67.13562  ? 912 HOH A O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . SER A 38  ? 1.22891 1.47725 1.01134 0.06566  0.08074  -0.05828 615 SER A N   
2    C CA  . SER A 38  ? 1.20505 1.41790 1.03480 0.07350  0.08829  -0.07989 615 SER A CA  
3    C C   . SER A 38  ? 1.19112 1.39005 1.00435 0.05907  0.06346  -0.10519 615 SER A C   
4    O O   . SER A 38  ? 1.16588 1.38813 0.97452 0.05054  0.03037  -0.09271 615 SER A O   
5    C CB  . SER A 38  ? 1.15850 1.37513 1.07086 0.09059  0.07963  -0.05246 615 SER A CB  
6    O OG  . SER A 38  ? 1.13992 1.32897 1.09574 0.09787  0.08029  -0.06707 615 SER A OG  
7    N N   . LYS A 39  ? 1.13546 1.29585 0.94633 0.05722  0.08248  -0.13833 616 LYS A N   
8    C CA  . LYS A 39  ? 1.13423 1.27723 0.93150 0.04167  0.06397  -0.16351 616 LYS A CA  
9    C C   . LYS A 39  ? 1.09267 1.23856 0.94765 0.05032  0.03466  -0.14394 616 LYS A C   
10   O O   . LYS A 39  ? 1.07609 1.22371 0.98437 0.06856  0.03408  -0.12036 616 LYS A O   
11   C CB  . LYS A 39  ? 1.17598 1.26942 0.96471 0.03977  0.09765  -0.20124 616 LYS A CB  
12   N N   . ASN A 40  ? 0.88467 1.03165 0.72667 0.03450  0.01075  -0.15499 617 ASN A N   
13   C CA  . ASN A 40  ? 0.84407 0.99011 0.72979 0.03985  -0.01323 -0.13994 617 ASN A CA  
14   C C   . ASN A 40  ? 0.85232 0.95474 0.76520 0.04606  -0.00137 -0.15606 617 ASN A C   
15   O O   . ASN A 40  ? 0.87977 0.95434 0.77011 0.03483  0.01418  -0.18620 617 ASN A O   
16   C CB  . ASN A 40  ? 0.81731 0.98957 0.68428 0.02118  -0.04128 -0.13945 617 ASN A CB  
17   C CG  . ASN A 40  ? 0.77362 0.94677 0.68391 0.02800  -0.06088 -0.12049 617 ASN A CG  
18   O OD1 . ASN A 40  ? 0.76769 0.91971 0.68786 0.02154  -0.06459 -0.13416 617 ASN A OD1 
19   N ND2 . ASN A 40  ? 0.74469 0.93860 0.67951 0.04019  -0.06972 -0.08956 617 ASN A ND2 
20   N N   . VAL A 41  ? 0.64062 0.73622 0.60009 0.06248  -0.00855 -0.13529 618 VAL A N   
21   C CA  . VAL A 41  ? 0.63756 0.69772 0.62748 0.07265  0.00008  -0.13932 618 VAL A CA  
22   C C   . VAL A 41  ? 0.61322 0.66720 0.61334 0.06839  -0.02248 -0.13220 618 VAL A C   
23   O O   . VAL A 41  ? 0.58049 0.65525 0.58901 0.06930  -0.04201 -0.11292 618 VAL A O   
24   C CB  . VAL A 41  ? 0.64140 0.70400 0.67489 0.09347  0.00820  -0.11816 618 VAL A CB  
25   C CG1 . VAL A 41  ? 0.63232 0.66624 0.69951 0.10530  0.01211  -0.11413 618 VAL A CG1 
26   C CG2 . VAL A 41  ? 0.66755 0.73565 0.69511 0.09870  0.03693  -0.12418 618 VAL A CG2 
27   N N   . VAL A 42  ? 0.70922 0.73076 0.70950 0.06384  -0.01550 -0.14750 619 VAL A N   
28   C CA  . VAL A 42  ? 0.68123 0.69384 0.68835 0.05895  -0.03128 -0.14137 619 VAL A CA  
29   C C   . VAL A 42  ? 0.67410 0.66497 0.70934 0.07594  -0.03195 -0.12276 619 VAL A C   
30   O O   . VAL A 42  ? 0.70040 0.66408 0.75100 0.08569  -0.01477 -0.12519 619 VAL A O   
31   C CB  . VAL A 42  ? 0.68617 0.67931 0.67759 0.04010  -0.02470 -0.16651 619 VAL A CB  
32   C CG1 . VAL A 42  ? 0.65896 0.64216 0.66310 0.03724  -0.03579 -0.15664 619 VAL A CG1 
33   C CG2 . VAL A 42  ? 0.68539 0.71004 0.64660 0.01962  -0.03260 -0.18151 619 VAL A CG2 
34   N N   . ILE A 43  ? 0.58614 0.58825 0.62691 0.07868  -0.05106 -0.10345 620 ILE A N   
35   C CA  . ILE A 43  ? 0.58673 0.57491 0.64327 0.09017  -0.05877 -0.08425 620 ILE A CA  
36   C C   . ILE A 43  ? 0.57489 0.54190 0.61839 0.08357  -0.06364 -0.08284 620 ILE A C   
37   O O   . ILE A 43  ? 0.55710 0.53324 0.58878 0.07249  -0.06827 -0.08786 620 ILE A O   
38   C CB  . ILE A 43  ? 0.57103 0.58388 0.63743 0.09424  -0.07456 -0.06691 620 ILE A CB  
39   C CG1 . ILE A 43  ? 0.58293 0.62036 0.66331 0.09874  -0.06618 -0.06744 620 ILE A CG1 
40   C CG2 . ILE A 43  ? 0.55839 0.56212 0.63641 0.10173  -0.08731 -0.04821 620 ILE A CG2 
41   C CD1 . ILE A 43  ? 0.60269 0.63321 0.70944 0.11213  -0.05033 -0.06530 620 ILE A CD1 
42   N N   . TYR A 44  ? 0.61562 0.55616 0.66472 0.09176  -0.06088 -0.07221 621 TYR A N   
43   C CA  . TYR A 44  ? 0.61874 0.53407 0.65353 0.08732  -0.06055 -0.06754 621 TYR A CA  
44   C C   . TYR A 44  ? 0.62824 0.53858 0.65486 0.09501  -0.07567 -0.04409 621 TYR A C   
45   O O   . TYR A 44  ? 0.64460 0.55016 0.68621 0.10751  -0.07782 -0.02781 621 TYR A O   
46   C CB  . TYR A 44  ? 0.64734 0.53043 0.69055 0.08758  -0.03993 -0.07559 621 TYR A CB  
47   C CG  . TYR A 44  ? 0.66330 0.51837 0.69520 0.08448  -0.03557 -0.06666 621 TYR A CG  
48   C CD1 . TYR A 44  ? 0.64505 0.50441 0.66335 0.07092  -0.03726 -0.07284 621 TYR A CD1 
49   C CD2 . TYR A 44  ? 0.68941 0.51481 0.72744 0.09658  -0.02745 -0.04808 621 TYR A CD2 
50   C CE1 . TYR A 44  ? 0.65582 0.48834 0.66400 0.06834  -0.02840 -0.06367 621 TYR A CE1 
51   C CE2 . TYR A 44  ? 0.70362 0.50179 0.72657 0.09396  -0.02099 -0.03656 621 TYR A CE2 
52   C CZ  . TYR A 44  ? 0.68890 0.48940 0.69552 0.07905  -0.01995 -0.04618 621 TYR A CZ  
53   O OH  . TYR A 44  ? 0.70537 0.47719 0.69786 0.07639  -0.00801 -0.03453 621 TYR A OH  
54   N N   . ALA A 45  ? 0.70630 0.61880 0.70974 0.08699  -0.08573 -0.04167 622 ALA A N   
55   C CA  . ALA A 45  ? 0.72158 0.62492 0.70197 0.08762  -0.10029 -0.02483 622 ALA A CA  
56   C C   . ALA A 45  ? 0.75570 0.62693 0.70740 0.08300  -0.08933 -0.02241 622 ALA A C   
57   O O   . ALA A 45  ? 0.74283 0.60943 0.68566 0.07421  -0.07894 -0.03359 622 ALA A O   
58   C CB  . ALA A 45  ? 0.69446 0.61477 0.66436 0.07952  -0.11385 -0.02754 622 ALA A CB  
59   N N   . ASP A 46  ? 0.75621 0.60694 0.69800 0.09012  -0.08938 -0.00444 623 ASP A N   
60   C CA  . ASP A 46  ? 0.79408 0.61221 0.70457 0.08621  -0.07657 0.00190  623 ASP A CA  
61   C C   . ASP A 46  ? 0.82610 0.63628 0.68833 0.08251  -0.09304 0.01730  623 ASP A C   
62   O O   . ASP A 46  ? 0.81989 0.65034 0.68099 0.08453  -0.11754 0.02856  623 ASP A O   
63   C CB  . ASP A 46  ? 0.81189 0.60553 0.74025 0.09503  -0.05922 0.01251  623 ASP A CB  
64   C CG  . ASP A 46  ? 0.82273 0.62185 0.77173 0.11130  -0.06970 0.03581  623 ASP A CG  
65   O OD1 . ASP A 46  ? 0.80992 0.63652 0.76014 0.11464  -0.09388 0.04575  623 ASP A OD1 
66   O OD2 . ASP A 46  ? 0.83737 0.61261 0.80659 0.12099  -0.05209 0.04700  623 ASP A OD2 
67   N N   . GLY A 47  ? 0.74234 0.52457 0.56429 0.07460  -0.07881 0.01608  624 GLY A N   
68   C CA  . GLY A 47  ? 0.77937 0.54682 0.54019 0.06652  -0.09000 0.02518  624 GLY A CA  
69   C C   . GLY A 47  ? 0.83031 0.56070 0.55150 0.05984  -0.06193 0.02185  624 GLY A C   
70   O O   . GLY A 47  ? 0.81648 0.53903 0.56697 0.06072  -0.03601 0.01270  624 GLY A O   
71   N N   . VAL A 48  ? 0.87794 0.58686 0.53102 0.05146  -0.06709 0.02991  625 VAL A N   
72   C CA  . VAL A 48  ? 0.92700 0.59796 0.53467 0.04338  -0.03571 0.02277  625 VAL A CA  
73   C C   . VAL A 48  ? 0.90663 0.57726 0.52083 0.03431  -0.02207 -0.00493 625 VAL A C   
74   O O   . VAL A 48  ? 0.90166 0.55746 0.53186 0.03455  0.01124  -0.01361 625 VAL A O   
75   C CB  . VAL A 48  ? 0.98647 0.63116 0.50719 0.03525  -0.04354 0.03870  625 VAL A CB  
76   C CG1 . VAL A 48  ? 1.04180 0.64207 0.51295 0.02789  -0.00319 0.03089  625 VAL A CG1 
77   C CG2 . VAL A 48  ? 1.00115 0.65093 0.52422 0.04789  -0.05842 0.07433  625 VAL A CG2 
78   N N   . TYR A 49  ? 0.94793 0.63647 0.55745 0.02680  -0.04644 -0.01615 626 TYR A N   
79   C CA  . TYR A 49  ? 0.92600 0.60967 0.53801 0.01785  -0.03473 -0.03970 626 TYR A CA  
80   C C   . TYR A 49  ? 0.97818 0.61408 0.53435 0.00864  0.00087  -0.05089 626 TYR A C   
81   O O   . TYR A 49  ? 0.95781 0.58421 0.54119 0.01043  0.03141  -0.06339 626 TYR A O   
82   C CB  . TYR A 49  ? 0.84967 0.56345 0.54067 0.02786  -0.02620 -0.04580 626 TYR A CB  
83   C CG  . TYR A 49  ? 0.80609 0.56097 0.54091 0.03446  -0.05661 -0.03971 626 TYR A CG  
84   C CD1 . TYR A 49  ? 0.79086 0.56308 0.52383 0.02784  -0.08170 -0.04405 626 TYR A CD1 
85   C CD2 . TYR A 49  ? 0.78727 0.56084 0.56572 0.04572  -0.05709 -0.03094 626 TYR A CD2 
86   C CE1 . TYR A 49  ? 0.74518 0.55533 0.52251 0.03527  -0.10453 -0.03679 626 TYR A CE1 
87   C CE2 . TYR A 49  ? 0.75880 0.56441 0.57437 0.05246  -0.07820 -0.02698 626 TYR A CE2 
88   C CZ  . TYR A 49  ? 0.73258 0.55760 0.54894 0.04866  -0.10078 -0.02845 626 TYR A CZ  
89   O OH  . TYR A 49  ? 0.69509 0.55172 0.55208 0.05661  -0.11649 -0.02305 626 TYR A OH  
90   N N   . ASP A 50  ? 1.10027 0.70654 0.57660 -0.00116 -0.00219 -0.04469 627 ASP A N   
91   C CA  . ASP A 50  ? 1.15880 0.71327 0.56786 -0.01181 0.03517  -0.05740 627 ASP A CA  
92   C C   . ASP A 50  ? 1.16532 0.69979 0.54223 -0.02944 0.03819  -0.08621 627 ASP A C   
93   O O   . ASP A 50  ? 1.15658 0.70902 0.51886 -0.04204 0.00041  -0.09182 627 ASP A O   
94   C CB  . ASP A 50  ? 1.23087 0.75970 0.55339 -0.01862 0.02984  -0.04022 627 ASP A CB  
95   C CG  . ASP A 50  ? 1.30125 0.77525 0.56224 -0.02412 0.07956  -0.04752 627 ASP A CG  
96   O OD1 . ASP A 50  ? 1.28827 0.74813 0.58986 -0.01897 0.12019  -0.06254 627 ASP A OD1 
97   O OD2 . ASP A 50  ? 1.36852 0.81513 0.54174 -0.03294 0.07930  -0.03579 627 ASP A OD2 
98   N N   . MET A 51  ? 1.31288 0.80957 0.68579 -0.03048 0.08596  -0.10385 628 MET A N   
99   C CA  . MET A 51  ? 1.32926 0.79010 0.66577 -0.04785 0.10228  -0.13394 628 MET A CA  
100  C C   . MET A 51  ? 1.27631 0.77275 0.66052 -0.05245 0.06715  -0.14159 628 MET A C   
101  O O   . MET A 51  ? 1.30494 0.79344 0.63930 -0.07506 0.04118  -0.15680 628 MET A O   
102  C CB  . MET A 51  ? 1.41795 0.83059 0.63089 -0.07364 0.10206  -0.14854 628 MET A CB  
103  C CG  . MET A 51  ? 1.48881 0.85856 0.63775 -0.07174 0.14137  -0.14136 628 MET A CG  
104  S SD  . MET A 51  ? 1.61915 0.92937 0.60399 -0.10717 0.14104  -0.16232 628 MET A SD  
105  C CE  . MET A 51  ? 1.59971 0.96689 0.55827 -0.11820 0.05744  -0.13788 628 MET A CE  
106  N N   . LEU A 52  ? 1.03651 0.57305 0.51778 -0.03268 0.06782  -0.13070 629 LEU A N   
107  C CA  . LEU A 52  ? 0.97880 0.56080 0.51503 -0.03148 0.03178  -0.12808 629 LEU A CA  
108  C C   . LEU A 52  ? 1.01023 0.56973 0.51794 -0.05346 0.02690  -0.15220 629 LEU A C   
109  O O   . LEU A 52  ? 1.05491 0.56750 0.54416 -0.06084 0.06569  -0.17257 629 LEU A O   
110  C CB  . LEU A 52  ? 0.89997 0.51713 0.53120 -0.01005 0.04452  -0.11683 629 LEU A CB  
111  C CG  . LEU A 52  ? 0.84233 0.51544 0.52804 -0.00343 0.00536  -0.10505 629 LEU A CG  
112  C CD1 . LEU A 52  ? 0.82555 0.52637 0.51659 0.00561  -0.01756 -0.08712 629 LEU A CD1 
113  C CD2 . LEU A 52  ? 0.79071 0.49356 0.55450 0.01051  0.01658  -0.09899 629 LEU A CD2 
114  N N   . HIS A 53  ? 1.05833 0.65081 0.56846 -0.06440 -0.01851 -0.14976 630 HIS A N   
115  C CA  . HIS A 53  ? 1.08206 0.65729 0.56713 -0.09064 -0.02890 -0.17312 630 HIS A CA  
116  C C   . HIS A 53  ? 1.02257 0.65136 0.57841 -0.08763 -0.06236 -0.16281 630 HIS A C   
117  O O   . HIS A 53  ? 0.96851 0.64372 0.58585 -0.06476 -0.07446 -0.13967 630 HIS A O   
118  C CB  . HIS A 53  ? 1.15411 0.70420 0.53807 -0.12030 -0.05102 -0.18592 630 HIS A CB  
119  C CG  . HIS A 53  ? 1.14461 0.74264 0.51991 -0.11814 -0.10078 -0.15907 630 HIS A CG  
120  N ND1 . HIS A 53  ? 1.08374 0.74208 0.52733 -0.11023 -0.13931 -0.14020 630 HIS A ND1 
121  C CD2 . HIS A 53  ? 1.19502 0.78789 0.50210 -0.12231 -0.11565 -0.14540 630 HIS A CD2 
122  C CE1 . HIS A 53  ? 1.09209 0.78066 0.51683 -0.10784 -0.17459 -0.11555 630 HIS A CE1 
123  N NE2 . HIS A 53  ? 1.16205 0.81280 0.50379 -0.11495 -0.16275 -0.11654 630 HIS A NE2 
124  N N   . LEU A 54  ? 0.76550 0.67874 0.80035 -0.02962 -0.18726 -0.06458 631 LEU A N   
125  C CA  . LEU A 54  ? 0.75251 0.67434 0.83734 -0.03831 -0.18583 -0.05568 631 LEU A CA  
126  C C   . LEU A 54  ? 0.72621 0.67973 0.83503 -0.03691 -0.19182 -0.04062 631 LEU A C   
127  O O   . LEU A 54  ? 0.71204 0.67608 0.85437 -0.03915 -0.17956 -0.02751 631 LEU A O   
128  C CB  . LEU A 54  ? 0.77049 0.68239 0.87744 -0.05463 -0.19843 -0.07469 631 LEU A CB  
129  C CG  . LEU A 54  ? 0.77040 0.68423 0.92892 -0.06811 -0.19029 -0.06638 631 LEU A CG  
130  C CD1 . LEU A 54  ? 0.78527 0.67133 0.94116 -0.06149 -0.16609 -0.05188 631 LEU A CD1 
131  C CD2 . LEU A 54  ? 0.76923 0.67737 0.95567 -0.08884 -0.20310 -0.08825 631 LEU A CD2 
132  N N   . GLY A 55  ? 0.68760 0.65540 0.77810 -0.03157 -0.20994 -0.04187 632 GLY A N   
133  C CA  . GLY A 55  ? 0.66098 0.65622 0.77543 -0.02502 -0.21565 -0.02741 632 GLY A CA  
134  C C   . GLY A 55  ? 0.65151 0.64604 0.76412 -0.01529 -0.19258 -0.00976 632 GLY A C   
135  O O   . GLY A 55  ? 0.62142 0.63569 0.77213 -0.01492 -0.18523 -0.00030 632 GLY A O   
136  N N   . HIS A 56  ? 0.69716 0.67169 0.76747 -0.00872 -0.17943 -0.00835 633 HIS A N   
137  C CA  . HIS A 56  ? 0.67654 0.65248 0.74677 -0.00221 -0.15742 0.00299  633 HIS A CA  
138  C C   . HIS A 56  ? 0.67002 0.65129 0.76880 -0.00632 -0.14202 0.00548  633 HIS A C   
139  O O   . HIS A 56  ? 0.64227 0.63805 0.76080 -0.00382 -0.12964 0.01469  633 HIS A O   
140  C CB  . HIS A 56  ? 0.69424 0.65229 0.71993 0.00193  -0.14485 -0.00057 633 HIS A CB  
141  C CG  . HIS A 56  ? 0.73266 0.67725 0.71580 0.00451  -0.15602 -0.00178 633 HIS A CG  
142  N ND1 . HIS A 56  ? 0.76121 0.69085 0.70784 0.00126  -0.15922 -0.01576 633 HIS A ND1 
143  C CD2 . HIS A 56  ? 0.73825 0.67907 0.70453 0.01142  -0.16354 0.01025  633 HIS A CD2 
144  C CE1 . HIS A 56  ? 0.79009 0.70883 0.69457 0.00450  -0.16785 -0.01156 633 HIS A CE1 
145  N NE2 . HIS A 56  ? 0.77915 0.70221 0.69393 0.01163  -0.17153 0.00599  633 HIS A NE2 
146  N N   . MET A 57  ? 0.62830 0.59463 0.72498 -0.01142 -0.14169 -0.00261 634 MET A N   
147  C CA  . MET A 57  ? 0.64000 0.60398 0.75596 -0.01324 -0.12812 0.00390  634 MET A CA  
148  C C   . MET A 57  ? 0.62884 0.61074 0.78497 -0.02194 -0.12691 0.01283  634 MET A C   
149  O O   . MET A 57  ? 0.62298 0.61548 0.79032 -0.02034 -0.11152 0.02380  634 MET A O   
150  C CB  . MET A 57  ? 0.67812 0.61503 0.78658 -0.01589 -0.12984 -0.00547 634 MET A CB  
151  C CG  . MET A 57  ? 0.69147 0.61574 0.76760 -0.00459 -0.12419 -0.01494 634 MET A CG  
152  S SD  . MET A 57  ? 0.71271 0.60343 0.77839 -0.00632 -0.13069 -0.03435 634 MET A SD  
153  C CE  . MET A 57  ? 0.71894 0.61250 0.74656 0.00460  -0.12487 -0.04956 634 MET A CE  
154  N N   . LYS A 58  ? 0.61659 0.60713 0.79542 -0.03136 -0.14282 0.00611  635 LYS A N   
155  C CA  . LYS A 58  ? 0.60795 0.62182 0.83321 -0.04151 -0.13975 0.01097  635 LYS A CA  
156  C C   . LYS A 58  ? 0.57004 0.61171 0.80881 -0.03216 -0.13424 0.01915  635 LYS A C   
157  O O   . LYS A 58  ? 0.55729 0.61705 0.82590 -0.03677 -0.11918 0.02597  635 LYS A O   
158  C CB  . LYS A 58  ? 0.60276 0.62611 0.85513 -0.05429 -0.16033 -0.00325 635 LYS A CB  
159  C CG  . LYS A 58  ? 0.63511 0.62662 0.87976 -0.06637 -0.16177 -0.01423 635 LYS A CG  
160  C CD  . LYS A 58  ? 0.63131 0.63303 0.89813 -0.08030 -0.18497 -0.03507 635 LYS A CD  
161  C CE  . LYS A 58  ? 0.61790 0.64840 0.94653 -0.09879 -0.18259 -0.03747 635 LYS A CE  
162  N NZ  . LYS A 58  ? 0.63516 0.65791 0.98505 -0.11985 -0.19574 -0.06086 635 LYS A NZ  
163  N N   . GLN A 59  ? 0.56849 0.60966 0.78260 -0.01919 -0.14307 0.01867  636 GLN A N   
164  C CA  . GLN A 59  ? 0.54348 0.60152 0.76776 -0.00865 -0.13560 0.02574  636 GLN A CA  
165  C C   . GLN A 59  ? 0.53769 0.59399 0.75284 -0.00672 -0.11065 0.03139  636 GLN A C   
166  O O   . GLN A 59  ? 0.53112 0.60773 0.77232 -0.00622 -0.09740 0.03476  636 GLN A O   
167  C CB  . GLN A 59  ? 0.54269 0.58902 0.73550 0.00404  -0.14780 0.02672  636 GLN A CB  
168  C CG  . GLN A 59  ? 0.52592 0.58465 0.73648 0.01642  -0.14450 0.03351  636 GLN A CG  
169  C CD  . GLN A 59  ? 0.53761 0.58077 0.72373 0.02190  -0.12285 0.03701  636 GLN A CD  
170  O OE1 . GLN A 59  ? 0.54902 0.57168 0.69697 0.01934  -0.11552 0.03480  636 GLN A OE1 
171  N NE2 . GLN A 59  ? 0.52197 0.57761 0.73458 0.02878  -0.11162 0.03915  636 GLN A NE2 
172  N N   . LEU A 60  ? 0.57696 0.61310 0.75582 -0.00463 -0.10456 0.02998  637 LEU A N   
173  C CA  . LEU A 60  ? 0.57534 0.61557 0.74430 -0.00135 -0.08519 0.03264  637 LEU A CA  
174  C C   . LEU A 60  ? 0.58517 0.63437 0.77297 -0.00813 -0.07414 0.03984  637 LEU A C   
175  O O   . LEU A 60  ? 0.57449 0.64070 0.76877 -0.00683 -0.05881 0.04304  637 LEU A O   
176  C CB  . LEU A 60  ? 0.58561 0.60919 0.71959 0.00315  -0.08370 0.02708  637 LEU A CB  
177  C CG  . LEU A 60  ? 0.59247 0.60567 0.70288 0.00685  -0.08807 0.02077  637 LEU A CG  
178  C CD1 . LEU A 60  ? 0.61712 0.61780 0.69991 0.00895  -0.08608 0.01183  637 LEU A CD1 
179  C CD2 . LEU A 60  ? 0.57938 0.60133 0.69146 0.01025  -0.07557 0.02092  637 LEU A CD2 
180  N N   . GLU A 61  ? 0.52948 0.56500 0.72429 -0.01673 -0.08003 0.04190  638 GLU A N   
181  C CA  . GLU A 61  ? 0.55984 0.59829 0.77323 -0.02672 -0.06710 0.05144  638 GLU A CA  
182  C C   . GLU A 61  ? 0.53303 0.60347 0.78522 -0.03261 -0.05906 0.05170  638 GLU A C   
183  O O   . GLU A 61  ? 0.54181 0.62517 0.79846 -0.03537 -0.03954 0.05883  638 GLU A O   
184  C CB  . GLU A 61  ? 0.59646 0.61021 0.81751 -0.03845 -0.07445 0.05087  638 GLU A CB  
185  C CG  . GLU A 61  ? 0.62615 0.63229 0.85994 -0.05087 -0.05677 0.06385  638 GLU A CG  
186  C CD  . GLU A 61  ? 0.63759 0.62075 0.89158 -0.06807 -0.06102 0.06058  638 GLU A CD  
187  O OE1 . GLU A 61  ? 0.62987 0.61187 0.89353 -0.07109 -0.08052 0.04476  638 GLU A OE1 
188  O OE2 . GLU A 61  ? 0.65927 0.62343 0.91678 -0.07949 -0.04386 0.07363  638 GLU A OE2 
189  N N   . GLN A 62  ? 0.60757 0.69313 0.88703 -0.03274 -0.07419 0.04325  639 GLN A N   
190  C CA  . GLN A 62  ? 0.58774 0.70810 0.91197 -0.03465 -0.06797 0.04092  639 GLN A CA  
191  C C   . GLN A 62  ? 0.56951 0.70251 0.88586 -0.02379 -0.05116 0.04191  639 GLN A C   
192  O O   . GLN A 62  ? 0.56740 0.72226 0.90496 -0.02857 -0.03118 0.04301  639 GLN A O   
193  C CB  . GLN A 62  ? 0.55564 0.69106 0.90632 -0.02943 -0.09224 0.03209  639 GLN A CB  
194  C CG  . GLN A 62  ? 0.55691 0.70452 0.94426 -0.04414 -0.10601 0.02454  639 GLN A CG  
195  C CD  . GLN A 62  ? 0.54852 0.70964 0.94707 -0.03373 -0.13660 0.01583  639 GLN A CD  
196  O OE1 . GLN A 62  ? 0.52045 0.71552 0.95973 -0.02506 -0.14339 0.01220  639 GLN A OE1 
197  N NE2 . GLN A 62  ? 0.56486 0.69951 0.92430 -0.03192 -0.15561 0.01243  639 GLN A NE2 
198  N N   . ALA A 63  ? 0.47275 0.59203 0.75885 -0.01098 -0.05701 0.03937  640 ALA A N   
199  C CA  . ALA A 63  ? 0.46254 0.59062 0.74247 -0.00249 -0.04145 0.03584  640 ALA A CA  
200  C C   . ALA A 63  ? 0.48615 0.62034 0.74839 -0.00733 -0.02071 0.03867  640 ALA A C   
201  O O   . ALA A 63  ? 0.48870 0.64525 0.76743 -0.00881 -0.00271 0.03587  640 ALA A O   
202  C CB  . ALA A 63  ? 0.46731 0.57363 0.71505 0.00702  -0.04885 0.03236  640 ALA A CB  
203  N N   . LYS A 64  ? 0.48407 0.59932 0.71093 -0.00801 -0.02360 0.04374  641 LYS A N   
204  C CA  . LYS A 64  ? 0.50736 0.62524 0.70952 -0.00898 -0.00954 0.05005  641 LYS A CA  
205  C C   . LYS A 64  ? 0.53968 0.67174 0.75988 -0.01949 0.00769  0.05846  641 LYS A C   
206  O O   . LYS A 64  ? 0.55832 0.70423 0.76188 -0.01905 0.02485  0.06032  641 LYS A O   
207  C CB  . LYS A 64  ? 0.52962 0.62131 0.70238 -0.00650 -0.01982 0.05744  641 LYS A CB  
208  C CG  . LYS A 64  ? 0.56480 0.65372 0.70988 -0.00435 -0.00930 0.06969  641 LYS A CG  
209  C CD  . LYS A 64  ? 0.55497 0.66559 0.67687 0.00566  -0.00375 0.06079  641 LYS A CD  
210  C CE  . LYS A 64  ? 0.58601 0.70244 0.67810 0.00892  0.00690  0.07324  641 LYS A CE  
211  N NZ  . LYS A 64  ? 0.57123 0.71661 0.64451 0.01738  0.00969  0.05843  641 LYS A NZ  
212  N N   . LYS A 65  ? 0.63160 0.76241 0.88531 -0.03045 0.00402  0.06188  642 LYS A N   
213  C CA  . LYS A 65  ? 0.64652 0.79029 0.92435 -0.04534 0.02292  0.06898  642 LYS A CA  
214  C C   . LYS A 65  ? 0.61840 0.79995 0.94597 -0.04761 0.03228  0.05714  642 LYS A C   
215  O O   . LYS A 65  ? 0.61072 0.80870 0.97790 -0.06218 0.04213  0.05759  642 LYS A O   
216  C CB  . LYS A 65  ? 0.66135 0.78322 0.95342 -0.05959 0.01560  0.07613  642 LYS A CB  
217  C CG  . LYS A 65  ? 0.70084 0.78291 0.94950 -0.05905 0.01527  0.09102  642 LYS A CG  
218  C CD  . LYS A 65  ? 0.70285 0.75782 0.96692 -0.06948 0.00107  0.08981  642 LYS A CD  
219  C CE  . LYS A 65  ? 0.73191 0.74115 0.95501 -0.06518 0.00031  0.10372  642 LYS A CE  
220  N NZ  . LYS A 65  ? 0.76075 0.75373 0.97106 -0.07578 0.02481  0.12446  642 LYS A NZ  
221  N N   . LEU A 66  ? 0.47972 0.67534 0.81061 -0.03374 0.03064  0.04512  643 LEU A N   
222  C CA  . LEU A 66  ? 0.45309 0.68323 0.83408 -0.03210 0.04077  0.03326  643 LEU A CA  
223  C C   . LEU A 66  ? 0.47078 0.72451 0.85174 -0.03951 0.07323  0.03170  643 LEU A C   
224  O O   . LEU A 66  ? 0.44918 0.73575 0.87883 -0.04354 0.08764  0.02261  643 LEU A O   
225  C CB  . LEU A 66  ? 0.43100 0.65994 0.81618 -0.01376 0.02984  0.02171  643 LEU A CB  
226  C CG  . LEU A 66  ? 0.41130 0.62390 0.80439 -0.00499 -0.00021 0.02258  643 LEU A CG  
227  C CD1 . LEU A 66  ? 0.40524 0.59743 0.77431 0.01043  -0.00607 0.01781  643 LEU A CD1 
228  C CD2 . LEU A 66  ? 0.38343 0.62468 0.83736 -0.00321 -0.01002 0.01728  643 LEU A CD2 
229  N N   . PHE A 67  ? 0.65397 0.89482 0.98097 -0.04018 0.08454  0.03911  644 PHE A N   
230  C CA  . PHE A 67  ? 0.66736 0.92871 0.97914 -0.04621 0.11484  0.03813  644 PHE A CA  
231  C C   . PHE A 67  ? 0.71045 0.94738 0.96100 -0.05035 0.11846  0.05809  644 PHE A C   
232  O O   . PHE A 67  ? 0.72747 0.93874 0.94447 -0.04122 0.09782  0.06405  644 PHE A O   
233  C CB  . PHE A 67  ? 0.65626 0.93604 0.96269 -0.03394 0.12377  0.01736  644 PHE A CB  
234  C CG  . PHE A 67  ? 0.61807 0.91458 0.98228 -0.02478 0.12015  -0.00062 644 PHE A CG  
235  C CD1 . PHE A 67  ? 0.60042 0.93115 1.01598 -0.02875 0.14028  -0.01089 644 PHE A CD1 
236  C CD2 . PHE A 67  ? 0.60465 0.88172 0.97162 -0.01098 0.09752  -0.00654 644 PHE A CD2 
237  C CE1 . PHE A 67  ? 0.56789 0.91405 1.03963 -0.01518 0.13443  -0.02679 644 PHE A CE1 
238  C CE2 . PHE A 67  ? 0.57502 0.86085 0.99068 0.00123  0.09283  -0.01902 644 PHE A CE2 
239  C CZ  . PHE A 67  ? 0.55853 0.87937 1.02790 0.00101  0.10957  -0.02907 644 PHE A CZ  
240  N N   . GLU A 68  ? 0.57514 0.81999 0.81116 -0.06309 0.14571  0.06891  645 GLU A N   
241  C CA  . GLU A 68  ? 0.61668 0.83404 0.79024 -0.06501 0.15049  0.09297  645 GLU A CA  
242  C C   . GLU A 68  ? 0.62476 0.83117 0.74679 -0.04566 0.13015  0.09156  645 GLU A C   
243  O O   . GLU A 68  ? 0.64019 0.81462 0.73225 -0.03934 0.11319  0.10784  645 GLU A O   
244  C CB  . GLU A 68  ? 0.64051 0.87455 0.79063 -0.07684 0.18646  0.10043  645 GLU A CB  
245  N N   . ASN A 69  ? 0.77560 1.00940 0.89196 -0.03617 0.13162  0.06931  646 ASN A N   
246  C CA  . ASN A 69  ? 0.77092 1.00421 0.84501 -0.02070 0.11445  0.06236  646 ASN A CA  
247  C C   . ASN A 69  ? 0.73983 0.98165 0.84600 -0.01374 0.10077  0.03675  646 ASN A C   
248  O O   . ASN A 69  ? 0.72127 0.98550 0.85242 -0.01499 0.11383  0.01545  646 ASN A O   
249  C CB  . ASN A 69  ? 0.78587 1.04330 0.81160 -0.01797 0.13037  0.05772  646 ASN A CB  
250  C CG  . ASN A 69  ? 0.82613 1.06850 0.80676 -0.02334 0.14473  0.08785  646 ASN A CG  
251  O OD1 . ASN A 69  ? 0.85163 1.06368 0.79892 -0.01557 0.12930  0.11135  646 ASN A OD1 
252  N ND2 . ASN A 69  ? 0.84500 1.10577 0.82327 -0.03627 0.17649  0.08800  646 ASN A ND2 
253  N N   . THR A 70  ? 0.59609 0.81743 0.69888 -0.00613 0.07678  0.03870  647 THR A N   
254  C CA  . THR A 70  ? 0.56516 0.78514 0.69284 -0.00147 0.06482  0.01955  647 THR A CA  
255  C C   . THR A 70  ? 0.55040 0.76621 0.64986 0.00777  0.04777  0.01322  647 THR A C   
256  O O   . THR A 70  ? 0.55755 0.76672 0.62491 0.01408  0.03829  0.02655  647 THR A O   
257  C CB  . THR A 70  ? 0.54539 0.74460 0.71036 -0.00439 0.05320  0.02625  647 THR A CB  
258  O OG1 . THR A 70  ? 0.55035 0.72440 0.69732 -0.00306 0.03739  0.04250  647 THR A OG1 
259  C CG2 . THR A 70  ? 0.55346 0.76293 0.75557 -0.01342 0.06664  0.03078  647 THR A CG2 
260  N N   . THR A 71  ? 0.66108 0.87966 0.77662 0.00884  0.04495  -0.00753 648 THR A N   
261  C CA  . THR A 71  ? 0.63216 0.84286 0.73946 0.01344  0.03008  -0.01554 648 THR A CA  
262  C C   . THR A 71  ? 0.61955 0.80427 0.75331 0.01104  0.02373  -0.01411 648 THR A C   
263  O O   . THR A 71  ? 0.62508 0.80708 0.78215 0.00855  0.03206  -0.02378 648 THR A O   
264  C CB  . THR A 71  ? 0.62080 0.85613 0.72119 0.01303  0.03578  -0.04295 648 THR A CB  
265  O OG1 . THR A 71  ? 0.63804 0.90201 0.70833 0.01673  0.03887  -0.04548 648 THR A OG1 
266  C CG2 . THR A 71  ? 0.59375 0.82467 0.69318 0.01446  0.02420  -0.05394 648 THR A CG2 
267  N N   . LEU A 72  ? 0.48795 0.65206 0.61582 0.01337  0.00883  -0.00219 649 LEU A N   
268  C CA  . LEU A 72  ? 0.48060 0.62097 0.62222 0.01197  0.00066  -0.00155 649 LEU A CA  
269  C C   . LEU A 72  ? 0.48431 0.62179 0.61520 0.01207  0.00003  -0.01700 649 LEU A C   
270  O O   . LEU A 72  ? 0.47037 0.61317 0.58483 0.01553  -0.00651 -0.02018 649 LEU A O   
271  C CB  . LEU A 72  ? 0.48102 0.60120 0.62103 0.01219  -0.01334 0.01447  649 LEU A CB  
272  C CG  . LEU A 72  ? 0.48198 0.58037 0.62884 0.01136  -0.02359 0.01405  649 LEU A CG  
273  C CD1 . LEU A 72  ? 0.47569 0.57481 0.64709 0.01121  -0.01918 0.01231  649 LEU A CD1 
274  C CD2 . LEU A 72  ? 0.48103 0.56242 0.62849 0.00967  -0.03774 0.02494  649 LEU A CD2 
275  N N   . ILE A 73  ? 0.48954 0.61796 0.63208 0.00847  0.00838  -0.02691 650 ILE A N   
276  C CA  . ILE A 73  ? 0.49698 0.61372 0.63182 0.00419  0.01194  -0.03922 650 ILE A CA  
277  C C   . ILE A 73  ? 0.52196 0.60525 0.65243 0.00498  0.00307  -0.02608 650 ILE A C   
278  O O   . ILE A 73  ? 0.52545 0.59547 0.66859 0.00860  -0.00121 -0.01488 650 ILE A O   
279  C CB  . ILE A 73  ? 0.50279 0.62228 0.64892 -0.00186 0.02961  -0.05799 650 ILE A CB  
280  C CG1 . ILE A 73  ? 0.47872 0.63422 0.62751 -0.00212 0.03714  -0.07204 650 ILE A CG1 
281  C CG2 . ILE A 73  ? 0.51071 0.62218 0.64941 -0.01087 0.03753  -0.07342 650 ILE A CG2 
282  C CD1 . ILE A 73  ? 0.48336 0.64526 0.64189 -0.01058 0.05442  -0.09843 650 ILE A CD1 
283  N N   . VAL A 74  ? 0.52514 0.59827 0.63775 0.00257  -0.00024 -0.02877 651 VAL A N   
284  C CA  . VAL A 74  ? 0.55436 0.59666 0.65262 0.00292  -0.00863 -0.01777 651 VAL A CA  
285  C C   . VAL A 74  ? 0.59906 0.62345 0.68312 -0.00531 0.00597  -0.02707 651 VAL A C   
286  O O   . VAL A 74  ? 0.58644 0.62717 0.66775 -0.01172 0.01561  -0.04337 651 VAL A O   
287  C CB  . VAL A 74  ? 0.54123 0.58321 0.62676 0.00602  -0.02299 -0.01306 651 VAL A CB  
288  C CG1 . VAL A 74  ? 0.55862 0.57148 0.62565 0.00608  -0.03336 -0.00390 651 VAL A CG1 
289  C CG2 . VAL A 74  ? 0.51075 0.56718 0.60977 0.01076  -0.03210 -0.00483 651 VAL A CG2 
290  N N   . GLY A 75  ? 0.62173 0.61271 0.69768 -0.00483 0.00799  -0.01643 652 GLY A N   
291  C CA  . GLY A 75  ? 0.65387 0.61603 0.70961 -0.01416 0.02449  -0.01974 652 GLY A CA  
292  C C   . GLY A 75  ? 0.69027 0.62702 0.71064 -0.01343 0.01572  -0.00754 652 GLY A C   
293  O O   . GLY A 75  ? 0.68232 0.60892 0.69494 -0.00329 -0.00450 0.00818  652 GLY A O   
294  N N   . VAL A 76  ? 0.70011 0.63106 0.70065 -0.02533 0.03178  -0.01787 653 VAL A N   
295  C CA  . VAL A 76  ? 0.73101 0.63970 0.69216 -0.02713 0.02899  -0.01058 653 VAL A CA  
296  C C   . VAL A 76  ? 0.77563 0.64072 0.70643 -0.03726 0.05044  -0.00271 653 VAL A C   
297  O O   . VAL A 76  ? 0.76937 0.63378 0.71233 -0.05152 0.07608  -0.01621 653 VAL A O   
298  C CB  . VAL A 76  ? 0.69937 0.63761 0.66123 -0.03221 0.03304  -0.02982 653 VAL A CB  
299  C CG1 . VAL A 76  ? 0.71852 0.64161 0.64534 -0.02841 0.02081  -0.02345 653 VAL A CG1 
300  C CG2 . VAL A 76  ? 0.63873 0.61904 0.63714 -0.02458 0.02212  -0.04050 653 VAL A CG2 
301  N N   . THR A 77  ? 0.75855 0.58644 0.64801 -0.03078 0.04034  0.01862  654 THR A N   
302  C CA  . THR A 77  ? 0.80477 0.58048 0.65703 -0.03718 0.05930  0.03383  654 THR A CA  
303  C C   . THR A 77  ? 0.83522 0.60099 0.65354 -0.05682 0.08651  0.02406  654 THR A C   
304  O O   . THR A 77  ? 0.83328 0.62055 0.63718 -0.05834 0.08124  0.01414  654 THR A O   
305  C CB  . THR A 77  ? 0.82370 0.56450 0.64060 -0.01883 0.03457  0.06291  654 THR A CB  
306  O OG1 . THR A 77  ? 0.82512 0.58048 0.61545 -0.01425 0.01351  0.06271  654 THR A OG1 
307  C CG2 . THR A 77  ? 0.79096 0.54578 0.65043 -0.00098 0.01282  0.06918  654 THR A CG2 
308  N N   . SER A 78  ? 0.96518 0.69652 0.77289 -0.07295 0.11841  0.02541  655 SER A N   
309  C CA  . SER A 78  ? 0.98977 0.71238 0.77043 -0.09602 0.15129  0.01451  655 SER A CA  
310  C C   . SER A 78  ? 1.03671 0.72583 0.74728 -0.09213 0.14618  0.03499  655 SER A C   
311  O O   . SER A 78  ? 1.05385 0.70856 0.72912 -0.07387 0.12263  0.06332  655 SER A O   
312  C CB  . SER A 78  ? 1.00266 0.68687 0.78586 -0.11689 0.18883  0.01379  655 SER A CB  
313  O OG  . SER A 78  ? 1.05099 0.66253 0.78396 -0.10983 0.19096  0.04911  655 SER A OG  
314  N N   . ASP A 79  ? 1.31787 1.02225 1.00961 -0.10857 0.16774  0.01787  656 ASP A N   
315  C CA  . ASP A 79  ? 1.35368 1.02971 0.97330 -0.10795 0.16768  0.03219  656 ASP A CA  
316  C C   . ASP A 79  ? 1.41071 1.01228 0.96655 -0.11042 0.18148  0.06737  656 ASP A C   
317  O O   . ASP A 79  ? 1.44500 1.01454 0.94248 -0.09380 0.15819  0.09390  656 ASP A O   
318  C CB  . ASP A 79  ? 1.34844 1.05335 0.96448 -0.12848 0.19826  0.00394  656 ASP A CB  
319  C CG  . ASP A 79  ? 1.30298 1.07382 0.96931 -0.11921 0.17961  -0.02639 656 ASP A CG  
320  O OD1 . ASP A 79  ? 1.29615 1.07457 0.95468 -0.09908 0.14390  -0.02042 656 ASP A OD1 
321  O OD2 . ASP A 79  ? 1.26390 1.07863 0.97915 -0.13154 0.20004  -0.05651 656 ASP A OD2 
322  N N   . ASN A 80  ? 1.37204 0.94403 0.93741 -0.13103 0.21910  0.06759  657 ASN A N   
323  C CA  . ASN A 80  ? 1.43169 0.92254 0.93720 -0.13365 0.23648  0.10353  657 ASN A CA  
324  C C   . ASN A 80  ? 1.44504 0.90487 0.94018 -0.10073 0.19624  0.13559  657 ASN A C   
325  O O   . ASN A 80  ? 1.48306 0.90133 0.90890 -0.08415 0.17843  0.16748  657 ASN A O   
326  C CB  . ASN A 80  ? 1.42797 0.89589 0.96527 -0.16170 0.28173  0.09279  657 ASN A CB  
327  C CG  . ASN A 80  ? 1.49445 0.91336 0.97204 -0.19087 0.33006  0.10177  657 ASN A CG  
328  O OD1 . ASN A 80  ? 1.54471 0.93162 0.94260 -0.18582 0.32826  0.12541  657 ASN A OD1 
329  N ND2 . ASN A 80  ? 1.48663 0.89937 1.00029 -0.22349 0.37524  0.08188  657 ASN A ND2 
330  N N   . GLU A 81  ? 1.31067 0.79527 0.87544 -0.08990 0.18067  0.12559  658 GLU A N   
331  C CA  . GLU A 81  ? 1.31656 0.77497 0.88418 -0.05949 0.14784  0.15220  658 GLU A CA  
332  C C   . GLU A 81  ? 1.30999 0.79191 0.85356 -0.03337 0.10103  0.16382  658 GLU A C   
333  O O   . GLU A 81  ? 1.34073 0.78435 0.84501 -0.00953 0.07675  0.19550  658 GLU A O   
334  C CB  . GLU A 81  ? 1.26394 0.75654 0.91444 -0.05528 0.14281  0.13207  658 GLU A CB  
335  C CG  . GLU A 81  ? 1.27686 0.71412 0.94012 -0.05969 0.16831  0.14110  658 GLU A CG  
336  C CD  . GLU A 81  ? 1.22183 0.70285 0.96408 -0.06806 0.17639  0.10788  658 GLU A CD  
337  O OE1 . GLU A 81  ? 1.19255 0.73765 0.96885 -0.08247 0.17910  0.07623  658 GLU A OE1 
338  O OE2 . GLU A 81  ? 1.22159 0.67450 0.99114 -0.05818 0.17859  0.11257  658 GLU A OE2 
339  N N   . THR A 82  ? 1.25976 0.80491 0.82976 -0.03631 0.08633  0.13744  659 THR A N   
340  C CA  . THR A 82  ? 1.24828 0.81634 0.79995 -0.01572 0.04366  0.14341  659 THR A CA  
341  C C   . THR A 82  ? 1.30640 0.83003 0.76586 -0.01169 0.03987  0.16804  659 THR A C   
342  O O   . THR A 82  ? 1.32284 0.83015 0.75186 0.01268  0.00508  0.19178  659 THR A O   
343  C CB  . THR A 82  ? 1.20784 0.83935 0.79590 -0.02316 0.03580  0.11060  659 THR A CB  
344  O OG1 . THR A 82  ? 1.15660 0.82878 0.82272 -0.02098 0.03093  0.09354  659 THR A OG1 
345  C CG2 . THR A 82  ? 1.20658 0.85404 0.76743 -0.00750 -0.00324 0.11390  659 THR A CG2 
346  N N   . LYS A 83  ? 1.30681 0.81318 0.72010 -0.03519 0.07573  0.16187  660 LYS A N   
347  C CA  . LYS A 83  ? 1.36430 0.82514 0.67935 -0.03412 0.07809  0.18573  660 LYS A CA  
348  C C   . LYS A 83  ? 1.41887 0.80615 0.68539 -0.01951 0.07787  0.22923  660 LYS A C   
349  O O   . LYS A 83  ? 1.46907 0.82005 0.65367 -0.00491 0.06036  0.25744  660 LYS A O   
350  C CB  . LYS A 83  ? 1.38401 0.84067 0.66555 -0.06566 0.12567  0.16883  660 LYS A CB  
351  N N   . LEU A 84  ? 1.60332 0.96748 0.91799 -0.02101 0.09500  0.23462  661 LEU A N   
352  C CA  . LEU A 84  ? 1.65629 0.94267 0.93196 -0.00672 0.09971  0.27500  661 LEU A CA  
353  C C   . LEU A 84  ? 1.64615 0.93622 0.94317 0.03351  0.04880  0.29442  661 LEU A C   
354  O O   . LEU A 84  ? 1.70104 0.93241 0.93770 0.05705  0.03402  0.33393  661 LEU A O   
355  C CB  . LEU A 84  ? 1.65431 0.91121 0.97523 -0.02912 0.14532  0.26695  661 LEU A CB  
356  C CG  . LEU A 84  ? 1.72397 0.88736 1.00671 -0.01982 0.16168  0.30656  661 LEU A CG  
357  C CD1 . LEU A 84  ? 1.75576 0.87066 1.02056 -0.05967 0.22468  0.30266  661 LEU A CD1 
358  C CD2 . LEU A 84  ? 1.68757 0.85572 1.04561 0.00295  0.14229  0.30475  661 LEU A CD2 
359  N N   . PHE A 85  ? 1.48204 0.84028 0.86298 0.04268  0.02207  0.26814  662 PHE A N   
360  C CA  . PHE A 85  ? 1.45700 0.82895 0.87514 0.07804  -0.02178 0.28044  662 PHE A CA  
361  C C   . PHE A 85  ? 1.42816 0.85464 0.84244 0.09534  -0.07107 0.27395  662 PHE A C   
362  O O   . PHE A 85  ? 1.44611 0.86272 0.83917 0.12646  -0.10952 0.29753  662 PHE A O   
363  C CB  . PHE A 85  ? 1.40277 0.80995 0.91980 0.07625  -0.01488 0.25667  662 PHE A CB  
364  C CG  . PHE A 85  ? 1.43023 0.78010 0.95870 0.06840  0.02298  0.26489  662 PHE A CG  
365  C CD1 . PHE A 85  ? 1.48257 0.76072 0.97676 0.09268  0.01896  0.30194  662 PHE A CD1 
366  C CD2 . PHE A 85  ? 1.40589 0.77162 0.97894 0.03768  0.06177  0.23498  662 PHE A CD2 
367  C CE1 . PHE A 85  ? 1.51156 0.72801 1.01639 0.08446  0.05630  0.30872  662 PHE A CE1 
368  C CE2 . PHE A 85  ? 1.42901 0.74123 1.01468 0.02732  0.09770  0.23821  662 PHE A CE2 
369  C CZ  . PHE A 85  ? 1.48739 0.72116 1.03918 0.04977  0.09667  0.27507  662 PHE A CZ  
370  N N   . LYS A 86  ? 1.22409 0.70814 0.66121 0.07679  -0.07190 0.24122  663 LYS A N   
371  C CA  . LYS A 86  ? 1.19775 0.73365 0.63919 0.08838  -0.11551 0.22915  663 LYS A CA  
372  C C   . LYS A 86  ? 1.26284 0.78698 0.61644 0.08061  -0.11842 0.23093  663 LYS A C   
373  O O   . LYS A 86  ? 1.32567 0.84328 0.62809 0.10113  -0.15456 0.24788  663 LYS A O   
374  C CB  . LYS A 86  ? 1.10514 0.70718 0.62927 0.07510  -0.11599 0.19228  663 LYS A CB  
375  C CG  . LYS A 86  ? 1.05625 0.71142 0.60689 0.08601  -0.15945 0.17801  663 LYS A CG  
376  C CD  . LYS A 86  ? 0.98021 0.68772 0.61266 0.07324  -0.15363 0.14804  663 LYS A CD  
377  C CE  . LYS A 86  ? 0.93223 0.68932 0.59829 0.07926  -0.19154 0.13218  663 LYS A CE  
378  N NZ  . LYS A 86  ? 0.87339 0.67154 0.61576 0.06822  -0.18263 0.10974  663 LYS A NZ  
379  N N   . GLY A 87  ? 1.45000 0.97539 0.78602 0.05217  -0.08167 0.21139  664 GLY A N   
380  C CA  . GLY A 87  ? 1.49874 1.01273 0.75051 0.04291  -0.07788 0.20969  664 GLY A CA  
381  C C   . GLY A 87  ? 1.48031 1.02347 0.74974 0.01404  -0.04389 0.17411  664 GLY A C   
382  O O   . GLY A 87  ? 1.44832 1.00824 0.78187 -0.00015 -0.01703 0.15739  664 GLY A O   
383  N N   . GLN A 88  ? 1.53953 1.09010 0.74989 0.00756  -0.04710 0.16158  665 GLN A N   
384  C CA  . GLN A 88  ? 1.53121 1.10681 0.75025 -0.01663 -0.01432 0.12755  665 GLN A CA  
385  C C   . GLN A 88  ? 1.45813 1.09095 0.77424 -0.01776 -0.02490 0.09531  665 GLN A C   
386  O O   . GLN A 88  ? 1.41975 1.08233 0.76573 -0.00407 -0.06442 0.08727  665 GLN A O   
387  C CB  . GLN A 88  ? 1.56542 1.14027 0.70368 -0.01952 -0.02097 0.11740  665 GLN A CB  
388  N N   . VAL A 89  ? 1.20239 0.85023 0.56761 -0.03432 0.01056  0.07751  666 VAL A N   
389  C CA  . VAL A 89  ? 1.13825 0.83713 0.58430 -0.03583 0.00561  0.04726  666 VAL A CA  
390  C C   . VAL A 89  ? 1.12738 0.84768 0.55916 -0.04743 0.02226  0.01569  666 VAL A C   
391  O O   . VAL A 89  ? 1.16481 0.86609 0.54257 -0.06119 0.05338  0.01339  666 VAL A O   
392  C CB  . VAL A 89  ? 1.11628 0.82514 0.62761 -0.04313 0.02915  0.04475  666 VAL A CB  
393  C CG1 . VAL A 89  ? 1.12801 0.83993 0.63646 -0.06535 0.07526  0.02675  666 VAL A CG1 
394  C CG2 . VAL A 89  ? 1.05496 0.80818 0.64333 -0.03477 0.00831  0.02842  666 VAL A CG2 
395  N N   . VAL A 90  ? 1.13006 0.88750 0.60919 -0.04166 0.00300  -0.00884 667 VAL A N   
396  C CA  . VAL A 90  ? 1.11799 0.89481 0.59008 -0.04830 0.01573  -0.04138 667 VAL A CA  
397  C C   . VAL A 90  ? 1.08869 0.89439 0.61803 -0.05653 0.04661  -0.06325 667 VAL A C   
398  O O   . VAL A 90  ? 1.10234 0.91353 0.61375 -0.06853 0.07944  -0.08159 667 VAL A O   
399  C CB  . VAL A 90  ? 1.09143 0.88631 0.58202 -0.03744 -0.02063 -0.05782 667 VAL A CB  
400  C CG1 . VAL A 90  ? 1.06665 0.88322 0.57476 -0.04111 -0.00552 -0.09476 667 VAL A CG1 
401  C CG2 . VAL A 90  ? 1.13544 0.90972 0.55874 -0.03235 -0.04795 -0.04679 667 VAL A CG2 
402  N N   . GLN A 91  ? 1.03860 0.86710 0.63760 -0.04969 0.03625  -0.06329 668 GLN A N   
403  C CA  . GLN A 91  ? 1.00050 0.86207 0.65534 -0.05409 0.05936  -0.08397 668 GLN A CA  
404  C C   . GLN A 91  ? 1.01079 0.86776 0.68146 -0.06469 0.08201  -0.07134 668 GLN A C   
405  O O   . GLN A 91  ? 1.03212 0.86249 0.69088 -0.06287 0.07257  -0.04487 668 GLN A O   
406  C CB  . GLN A 91  ? 0.95234 0.84242 0.66942 -0.03994 0.03585  -0.09365 668 GLN A CB  
407  C CG  . GLN A 91  ? 0.95147 0.84215 0.66127 -0.03119 0.01605  -0.10930 668 GLN A CG  
408  C CD  . GLN A 91  ? 0.91224 0.82074 0.67970 -0.01855 -0.00471 -0.11262 668 GLN A CD  
409  O OE1 . GLN A 91  ? 0.89474 0.80187 0.68473 -0.01469 -0.02230 -0.09312 668 GLN A OE1 
410  N NE2 . GLN A 91  ? 0.90115 0.82533 0.69333 -0.01118 -0.00075 -0.13680 668 GLN A NE2 
411  N N   . THR A 92  ? 0.85657 0.74149 0.55813 -0.07545 0.11217  -0.09355 669 THR A N   
412  C CA  . THR A 92  ? 0.86155 0.74803 0.58571 -0.08990 0.13788  -0.09064 669 THR A CA  
413  C C   . THR A 92  ? 0.82260 0.73075 0.60541 -0.07971 0.11855  -0.08722 669 THR A C   
414  O O   . THR A 92  ? 0.78289 0.71280 0.59557 -0.06300 0.09138  -0.09120 669 THR A O   
415  C CB  . THR A 92  ? 0.83139 0.75295 0.58031 -0.10525 0.17408  -0.12183 669 THR A CB  
416  O OG1 . THR A 92  ? 0.77269 0.74582 0.58255 -0.09060 0.15966  -0.14627 669 THR A OG1 
417  C CG2 . THR A 92  ? 0.85987 0.76718 0.55333 -0.11459 0.19533  -0.13036 669 THR A CG2 
418  N N   . LEU A 93  ? 1.08650 0.75666 0.42561 -0.15181 0.16055  -0.05981 670 LEU A N   
419  C CA  . LEU A 93  ? 1.03662 0.73972 0.43422 -0.16913 0.13774  -0.04946 670 LEU A CA  
420  C C   . LEU A 93  ? 0.99726 0.77231 0.49325 -0.18038 0.11629  -0.06362 670 LEU A C   
421  O O   . LEU A 93  ? 0.94807 0.74876 0.48606 -0.17651 0.07650  -0.05711 670 LEU A O   
422  C CB  . LEU A 93  ? 1.04175 0.72026 0.41864 -0.19647 0.17946  -0.03975 670 LEU A CB  
423  C CG  . LEU A 93  ? 0.98508 0.68131 0.39984 -0.21588 0.16184  -0.02994 670 LEU A CG  
424  C CD1 . LEU A 93  ? 0.96995 0.63229 0.35372 -0.19410 0.13228  -0.00992 670 LEU A CD1 
425  C CD2 . LEU A 93  ? 1.00175 0.67904 0.40570 -0.24835 0.20866  -0.02995 670 LEU A CD2 
426  N N   . GLU A 94  ? 1.24079 1.04625 0.77672 -0.19169 0.14338  -0.08196 671 GLU A N   
427  C CA  . GLU A 94  ? 1.21837 1.09372 0.85362 -0.19810 0.11959  -0.09342 671 GLU A CA  
428  C C   . GLU A 94  ? 1.19529 1.08487 0.85377 -0.17029 0.07639  -0.09465 671 GLU A C   
429  O O   . GLU A 94  ? 1.16197 1.08943 0.87946 -0.17006 0.04055  -0.08880 671 GLU A O   
430  C CB  . GLU A 94  ? 1.25012 1.15429 0.93426 -0.21052 0.15880  -0.11441 671 GLU A CB  
431  C CG  . GLU A 94  ? 1.26946 1.18640 0.97983 -0.24560 0.19241  -0.11847 671 GLU A CG  
432  C CD  . GLU A 94  ? 1.28904 1.13602 0.90624 -0.25446 0.23147  -0.10654 671 GLU A CD  
433  O OE1 . GLU A 94  ? 1.31811 1.10644 0.85392 -0.23569 0.25889  -0.10273 671 GLU A OE1 
434  O OE2 . GLU A 94  ? 1.27543 1.12193 0.89622 -0.27917 0.23394  -0.10062 671 GLU A OE2 
435  N N   . GLU A 95  ? 0.94451 0.79845 0.55179 -0.14676 0.07962  -0.10250 672 GLU A N   
436  C CA  . GLU A 95  ? 0.92803 0.79444 0.56387 -0.12265 0.04215  -0.11009 672 GLU A CA  
437  C C   . GLU A 95  ? 0.89239 0.74764 0.52463 -0.11318 0.00043  -0.09310 672 GLU A C   
438  O O   . GLU A 95  ? 0.85258 0.73877 0.54953 -0.10717 -0.03036 -0.09110 672 GLU A O   
439  C CB  . GLU A 95  ? 0.96709 0.79375 0.54053 -0.10269 0.05705  -0.12827 672 GLU A CB  
440  C CG  . GLU A 95  ? 1.00510 0.84461 0.60004 -0.11042 0.10365  -0.14800 672 GLU A CG  
441  C CD  . GLU A 95  ? 1.06039 0.84288 0.56529 -0.09325 0.12979  -0.16518 672 GLU A CD  
442  O OE1 . GLU A 95  ? 1.09432 0.82153 0.50148 -0.07883 0.11526  -0.15742 672 GLU A OE1 
443  O OE2 . GLU A 95  ? 1.08214 0.87241 0.61223 -0.09291 0.16441  -0.18669 672 GLU A OE2 
444  N N   . ARG A 96  ? 1.07482 0.88332 0.63674 -0.11114 0.00276  -0.07926 673 ARG A N   
445  C CA  . ARG A 96  ? 1.02746 0.82449 0.59694 -0.10329 -0.03018 -0.06335 673 ARG A CA  
446  C C   . ARG A 96  ? 0.99360 0.82038 0.61806 -0.12278 -0.03534 -0.04944 673 ARG A C   
447  O O   . ARG A 96  ? 0.95976 0.79209 0.62223 -0.11551 -0.06205 -0.04122 673 ARG A O   
448  C CB  . ARG A 96  ? 1.04818 0.79034 0.53915 -0.09717 -0.02264 -0.04925 673 ARG A CB  
449  C CG  . ARG A 96  ? 1.10192 0.80438 0.51856 -0.07413 -0.02453 -0.05992 673 ARG A CG  
450  C CD  . ARG A 96  ? 1.12982 0.77536 0.46700 -0.06348 -0.02186 -0.04093 673 ARG A CD  
451  N NE  . ARG A 96  ? 1.18147 0.79245 0.45212 -0.07688 0.02938  -0.03244 673 ARG A NE  
452  C CZ  . ARG A 96  ? 1.17461 0.76901 0.43766 -0.09475 0.05635  -0.01314 673 ARG A CZ  
453  N NH1 . ARG A 96  ? 1.12358 0.73224 0.43658 -0.10247 0.03942  -0.00037 673 ARG A NH1 
454  N NH2 . ARG A 96  ? 1.23129 0.78808 0.43380 -0.10571 0.10644  -0.00753 673 ARG A NH2 
455  N N   . THR A 97  ? 0.85929 0.70220 0.48738 -0.14801 -0.00954 -0.04809 674 THR A N   
456  C CA  . THR A 97  ? 0.82635 0.69185 0.49056 -0.16695 -0.01856 -0.03695 674 THR A CA  
457  C C   . THR A 97  ? 0.81750 0.73238 0.55423 -0.16226 -0.04380 -0.04134 674 THR A C   
458  O O   . THR A 97  ? 0.78716 0.70804 0.54620 -0.16437 -0.06388 -0.02792 674 THR A O   
459  C CB  . THR A 97  ? 0.83659 0.70292 0.48223 -0.19731 0.01230  -0.03811 674 THR A CB  
460  O OG1 . THR A 97  ? 0.85559 0.66951 0.43325 -0.19887 0.04057  -0.03161 674 THR A OG1 
461  C CG2 . THR A 97  ? 0.81117 0.68798 0.47172 -0.21748 0.00042  -0.02811 674 THR A CG2 
462  N N   . GLU A 98  ? 0.87358 0.81822 0.64563 -0.15410 -0.04038 -0.05829 675 GLU A N   
463  C CA  . GLU A 98  ? 0.86863 0.85978 0.71582 -0.14822 -0.06340 -0.05925 675 GLU A CA  
464  C C   . GLU A 98  ? 0.85045 0.83174 0.72085 -0.12482 -0.09059 -0.05279 675 GLU A C   
465  O O   . GLU A 98  ? 0.83289 0.83525 0.75007 -0.12069 -0.11157 -0.04150 675 GLU A O   
466  C CB  . GLU A 98  ? 0.89282 0.91891 0.78543 -0.14524 -0.04789 -0.07959 675 GLU A CB  
467  C CG  . GLU A 98  ? 0.88141 0.96303 0.85668 -0.14721 -0.06865 -0.07660 675 GLU A CG  
468  C CD  . GLU A 98  ? 0.91471 1.03416 0.95142 -0.14457 -0.04972 -0.09686 675 GLU A CD  
469  O OE1 . GLU A 98  ? 0.95396 1.04896 0.96171 -0.13796 -0.01911 -0.11396 675 GLU A OE1 
470  O OE2 . GLU A 98  ? 0.90096 1.07214 1.01388 -0.14812 -0.06498 -0.09576 675 GLU A OE2 
471  N N   . THR A 99  ? 0.86170 0.80916 0.70090 -0.10898 -0.09145 -0.05986 676 THR A N   
472  C CA  . THR A 99  ? 0.83461 0.77360 0.70797 -0.08928 -0.11599 -0.05839 676 THR A CA  
473  C C   . THR A 99  ? 0.80484 0.72554 0.67863 -0.09500 -0.12530 -0.03494 676 THR A C   
474  O O   . THR A 99  ? 0.79557 0.72317 0.71648 -0.08784 -0.13887 -0.02491 676 THR A O   
475  C CB  . THR A 99  ? 0.84510 0.75416 0.68492 -0.07261 -0.12037 -0.07581 676 THR A CB  
476  O OG1 . THR A 99  ? 0.87774 0.78767 0.68355 -0.07297 -0.09910 -0.09438 676 THR A OG1 
477  C CG2 . THR A 99  ? 0.82619 0.73902 0.72176 -0.05312 -0.14329 -0.08745 676 THR A CG2 
478  N N   . LEU A 100 ? 0.83208 0.72391 0.65197 -0.10789 -0.11259 -0.02497 677 LEU A N   
479  C CA  . LEU A 100 ? 0.80955 0.67727 0.62511 -0.11540 -0.11251 -0.00415 677 LEU A CA  
480  C C   . LEU A 100 ? 0.81515 0.70215 0.65177 -0.12568 -0.11744 0.00912  677 LEU A C   
481  O O   . LEU A 100 ? 0.80639 0.67233 0.65176 -0.12428 -0.11995 0.02565  677 LEU A O   
482  C CB  . LEU A 100 ? 0.80953 0.64562 0.56438 -0.13127 -0.09123 0.00324  677 LEU A CB  
483  C CG  . LEU A 100 ? 0.81583 0.62270 0.54231 -0.11676 -0.09083 -0.00229 677 LEU A CG  
484  C CD1 . LEU A 100 ? 0.82070 0.59515 0.48913 -0.13219 -0.06489 0.00799  677 LEU A CD1 
485  C CD2 . LEU A 100 ? 0.78882 0.58026 0.55781 -0.09789 -0.11059 0.00076  677 LEU A CD2 
486  N N   . LYS A 101 ? 0.86542 0.79021 0.71108 -0.13489 -0.11885 0.00231  678 LYS A N   
487  C CA  . LYS A 101 ? 0.87220 0.81969 0.73696 -0.14170 -0.13309 0.01467  678 LYS A CA  
488  C C   . LYS A 101 ? 0.86808 0.82115 0.78632 -0.11868 -0.15123 0.02383  678 LYS A C   
489  O O   . LYS A 101 ? 0.85780 0.80603 0.77563 -0.11891 -0.16264 0.04345  678 LYS A O   
490  C CB  . LYS A 101 ? 0.88254 0.87692 0.76447 -0.15470 -0.13366 0.00130  678 LYS A CB  
491  C CG  . LYS A 101 ? 0.88305 0.91613 0.80678 -0.15328 -0.15994 0.01002  678 LYS A CG  
492  C CD  . LYS A 101 ? 0.89506 0.98471 0.87237 -0.15800 -0.16081 -0.00868 678 LYS A CD  
493  C CE  . LYS A 101 ? 0.87713 1.00936 0.91787 -0.14490 -0.19380 0.00157  678 LYS A CE  
494  N NZ  . LYS A 101 ? 0.87723 1.06820 0.99607 -0.14331 -0.19343 -0.01700 678 LYS A NZ  
495  N N   . HIS A 102 ? 0.64798 0.60361 0.60561 -0.09875 -0.15274 0.01017  679 HIS A N   
496  C CA  . HIS A 102 ? 0.63369 0.59147 0.65033 -0.07736 -0.16480 0.01551  679 HIS A CA  
497  C C   . HIS A 102 ? 0.61843 0.53268 0.64261 -0.06904 -0.16082 0.02518  679 HIS A C   
498  O O   . HIS A 102 ? 0.61001 0.52009 0.68902 -0.05186 -0.16553 0.02650  679 HIS A O   
499  C CB  . HIS A 102 ? 0.63417 0.61829 0.69750 -0.06204 -0.16644 -0.00989 679 HIS A CB  
500  C CG  . HIS A 102 ? 0.64158 0.67124 0.72880 -0.06556 -0.16709 -0.01664 679 HIS A CG  
501  N ND1 . HIS A 102 ? 0.62317 0.68051 0.75680 -0.05863 -0.18225 -0.00101 679 HIS A ND1 
502  C CD2 . HIS A 102 ? 0.66233 0.71346 0.73797 -0.07500 -0.15289 -0.03627 679 HIS A CD2 
503  C CE1 . HIS A 102 ? 0.62817 0.72898 0.78959 -0.06378 -0.18066 -0.01272 679 HIS A CE1 
504  N NE2 . HIS A 102 ? 0.65714 0.75364 0.78523 -0.07499 -0.15901 -0.03494 679 HIS A NE2 
505  N N   . ILE A 103 ? 0.63045 0.55092 0.66327 0.01628  -0.02603 0.03984  680 ILE A N   
506  C CA  . ILE A 103 ? 0.61955 0.53623 0.65686 0.00562  -0.03653 0.04897  680 ILE A CA  
507  C C   . ILE A 103 ? 0.58174 0.53494 0.64043 0.01664  -0.03630 0.06476  680 ILE A C   
508  O O   . ILE A 103 ? 0.54994 0.53578 0.61213 0.02534  -0.03799 0.06245  680 ILE A O   
509  C CB  . ILE A 103 ? 0.61725 0.52823 0.64178 -0.00895 -0.04983 0.04132  680 ILE A CB  
510  C CG1 . ILE A 103 ? 0.65042 0.51869 0.64154 -0.01845 -0.05012 0.02764  680 ILE A CG1 
511  C CG2 . ILE A 103 ? 0.59851 0.51922 0.64289 -0.01807 -0.06186 0.05210  680 ILE A CG2 
512  C CD1 . ILE A 103 ? 0.67158 0.50374 0.65688 -0.02602 -0.05028 0.02526  680 ILE A CD1 
513  N N   . ARG A 104 ? 0.75158 0.69632 0.82329 0.01586  -0.03265 0.08004  681 ARG A N   
514  C CA  . ARG A 104 ? 0.72380 0.69603 0.80849 0.02985  -0.02606 0.09930  681 ARG A CA  
515  C C   . ARG A 104 ? 0.69802 0.70293 0.78708 0.02996  -0.03160 0.09968  681 ARG A C   
516  O O   . ARG A 104 ? 0.66784 0.70111 0.75342 0.04638  -0.02669 0.10773  681 ARG A O   
517  C CB  . ARG A 104 ? 0.73928 0.68914 0.84198 0.02456  -0.01730 0.11679  681 ARG A CB  
518  C CG  . ARG A 104 ? 0.72185 0.69466 0.83624 0.03720  -0.00594 0.14087  681 ARG A CG  
519  C CD  . ARG A 104 ? 0.73753 0.68831 0.88125 0.02513  0.00387  0.15697  681 ARG A CD  
520  N NE  . ARG A 104 ? 0.76102 0.66955 0.90955 0.01799  0.00810  0.15387  681 ARG A NE  
521  C CZ  . ARG A 104 ? 0.76933 0.66241 0.91351 0.03498  0.02325  0.16785  681 ARG A CZ  
522  N NH1 . ARG A 104 ? 0.75111 0.67017 0.88239 0.06113  0.03237  0.18722  681 ARG A NH1 
523  N NH2 . ARG A 104 ? 0.78947 0.63893 0.94012 0.02705  0.02852  0.16155  681 ARG A NH2 
524  N N   . TRP A 105 ? 0.60106 0.60174 0.69550 0.01383  -0.04183 0.09122  682 TRP A N   
525  C CA  . TRP A 105 ? 0.57514 0.60390 0.68034 0.01541  -0.04358 0.09394  682 TRP A CA  
526  C C   . TRP A 105 ? 0.55309 0.60082 0.64553 0.02221  -0.04693 0.07830  682 TRP A C   
527  O O   . TRP A 105 ? 0.53052 0.60053 0.62973 0.02674  -0.04542 0.07828  682 TRP A O   
528  C CB  . TRP A 105 ? 0.58556 0.60619 0.71084 -0.00226 -0.05417 0.09492  682 TRP A CB  
529  C CG  . TRP A 105 ? 0.62227 0.61667 0.76073 -0.01482 -0.05601 0.10077  682 TRP A CG  
530  C CD1 . TRP A 105 ? 0.65064 0.61376 0.77812 -0.02960 -0.06899 0.08828  682 TRP A CD1 
531  C CD2 . TRP A 105 ? 0.63462 0.62737 0.79764 -0.01345 -0.04244 0.11938  682 TRP A CD2 
532  N NE1 . TRP A 105 ? 0.67217 0.61425 0.81917 -0.03940 -0.06662 0.09430  682 TRP A NE1 
533  C CE2 . TRP A 105 ? 0.65970 0.61915 0.83272 -0.03022 -0.04905 0.11499  682 TRP A CE2 
534  C CE3 . TRP A 105 ? 0.62409 0.63748 0.79875 0.00098  -0.02340 0.13970  682 TRP A CE3 
535  C CZ2 . TRP A 105 ? 0.66556 0.61134 0.86908 -0.03510 -0.03655 0.13022  682 TRP A CZ2 
536  C CZ3 . TRP A 105 ? 0.63668 0.63656 0.83694 -0.00161 -0.00862 0.15895  682 TRP A CZ3 
537  C CH2 . TRP A 105 ? 0.65426 0.62041 0.87326 -0.02054 -0.01487 0.15412  682 TRP A CH2 
538  N N   . VAL A 106 ? 0.54926 0.58774 0.62773 0.02294  -0.04874 0.06444  683 VAL A N   
539  C CA  . VAL A 106 ? 0.52933 0.58135 0.60487 0.02481  -0.05076 0.04798  683 VAL A CA  
540  C C   . VAL A 106 ? 0.51381 0.59642 0.58919 0.04126  -0.04858 0.04314  683 VAL A C   
541  O O   . VAL A 106 ? 0.52363 0.60909 0.59609 0.05106  -0.04684 0.04651  683 VAL A O   
542  C CB  . VAL A 106 ? 0.55220 0.57947 0.61763 0.01676  -0.05036 0.03632  683 VAL A CB  
543  C CG1 . VAL A 106 ? 0.54188 0.58201 0.61296 0.01766  -0.04821 0.02084  683 VAL A CG1 
544  C CG2 . VAL A 106 ? 0.57427 0.57114 0.62919 0.00228  -0.05693 0.03968  683 VAL A CG2 
545  N N   . ASP A 107 ? 0.58451 0.68969 0.66266 0.04544  -0.04991 0.03438  684 ASP A N   
546  C CA  . ASP A 107 ? 0.56889 0.70464 0.64164 0.06062  -0.05259 0.02485  684 ASP A CA  
547  C C   . ASP A 107 ? 0.56786 0.71389 0.65277 0.05730  -0.05763 0.00007  684 ASP A C   
548  O O   . ASP A 107 ? 0.55509 0.72108 0.64401 0.06644  -0.06388 -0.00862 684 ASP A O   
549  C CB  . ASP A 107 ? 0.56770 0.71997 0.63239 0.06854  -0.04886 0.02753  684 ASP A CB  
550  C CG  . ASP A 107 ? 0.58252 0.73074 0.64032 0.07495  -0.03981 0.05363  684 ASP A CG  
551  O OD1 . ASP A 107 ? 0.58787 0.73032 0.63991 0.08107  -0.03907 0.06673  684 ASP A OD1 
552  O OD2 . ASP A 107 ? 0.59199 0.74138 0.65546 0.07389  -0.03120 0.06214  684 ASP A OD2 
553  N N   . GLU A 108 ? 0.60065 0.73436 0.69620 0.04490  -0.05480 -0.01027 685 GLU A N   
554  C CA  . GLU A 108 ? 0.59568 0.73142 0.71005 0.03812  -0.05419 -0.03142 685 GLU A CA  
555  C C   . GLU A 108 ? 0.62094 0.72290 0.73735 0.02424  -0.04609 -0.02645 685 GLU A C   
556  O O   . GLU A 108 ? 0.63762 0.72092 0.74225 0.02001  -0.04605 -0.01156 685 GLU A O   
557  C CB  . GLU A 108 ? 0.58868 0.74349 0.71184 0.04014  -0.05665 -0.05196 685 GLU A CB  
558  C CG  . GLU A 108 ? 0.58381 0.77247 0.69507 0.05566  -0.06751 -0.06098 685 GLU A CG  
559  C CD  . GLU A 108 ? 0.58950 0.79414 0.70346 0.05753  -0.07115 -0.08729 685 GLU A CD  
560  O OE1 . GLU A 108 ? 0.59076 0.77896 0.70860 0.05161  -0.06121 -0.08960 685 GLU A OE1 
561  O OE2 . GLU A 108 ? 0.59475 0.82847 0.70732 0.06587  -0.08522 -0.10664 685 GLU A OE2 
562  N N   . ILE A 109 ? 0.53014 0.62529 0.66232 0.01788  -0.03932 -0.03835 686 ILE A N   
563  C CA  . ILE A 109 ? 0.56460 0.62584 0.69246 0.00720  -0.02850 -0.03370 686 ILE A CA  
564  C C   . ILE A 109 ? 0.56102 0.62373 0.71619 0.00135  -0.01958 -0.05013 686 ILE A C   
565  O O   . ILE A 109 ? 0.53364 0.62022 0.71759 0.00182  -0.01969 -0.06867 686 ILE A O   
566  C CB  . ILE A 109 ? 0.59646 0.63774 0.71458 0.00525  -0.02002 -0.02868 686 ILE A CB  
567  C CG1 . ILE A 109 ? 0.60593 0.63932 0.70002 0.00950  -0.02739 -0.01435 686 ILE A CG1 
568  C CG2 . ILE A 109 ? 0.62660 0.63120 0.73149 -0.00344 -0.00636 -0.02429 686 ILE A CG2 
569  C CD1 . ILE A 109 ? 0.64360 0.65926 0.73083 0.01062  -0.01736 -0.01347 686 ILE A CD1 
570  N N   . ILE A 110 ? 0.51845 0.55621 0.66860 -0.00391 -0.01283 -0.04335 687 ILE A N   
571  C CA  . ILE A 110 ? 0.51338 0.53895 0.68921 -0.01084 0.00223  -0.05389 687 ILE A CA  
572  C C   . ILE A 110 ? 0.54975 0.53830 0.70736 -0.01572 0.01779  -0.03954 687 ILE A C   
573  O O   . ILE A 110 ? 0.58018 0.54299 0.70307 -0.01451 0.01463  -0.02055 687 ILE A O   
574  C CB  . ILE A 110 ? 0.53211 0.55251 0.71633 -0.01002 0.00271  -0.05501 687 ILE A CB  
575  C CG1 . ILE A 110 ? 0.50390 0.55841 0.70186 -0.00431 -0.00811 -0.07421 687 ILE A CG1 
576  C CG2 . ILE A 110 ? 0.53177 0.52811 0.74092 -0.01748 0.02252  -0.06025 687 ILE A CG2 
577  C CD1 . ILE A 110 ? 0.50848 0.55994 0.70435 0.00119  -0.00867 -0.07050 687 ILE A CD1 
578  N N   . SER A 111 ? 0.62795 0.61501 0.80835 -0.02041 0.03425  -0.04872 688 SER A N   
579  C CA  . SER A 111 ? 0.64958 0.59996 0.80656 -0.02285 0.05422  -0.03513 688 SER A CA  
580  C C   . SER A 111 ? 0.64960 0.59296 0.84841 -0.03024 0.08121  -0.04412 688 SER A C   
581  O O   . SER A 111 ? 0.62104 0.59374 0.86577 -0.03310 0.08438  -0.06191 688 SER A O   
582  C CB  . SER A 111 ? 0.65486 0.60659 0.79025 -0.01869 0.05173  -0.03209 688 SER A CB  
583  O OG  . SER A 111 ? 0.69624 0.60579 0.78936 -0.01894 0.06774  -0.01805 688 SER A OG  
584  N N   . PRO A 112 ? 0.68034 0.58644 0.86942 -0.03308 0.10118  -0.03124 689 PRO A N   
585  C CA  . PRO A 112 ? 0.70896 0.58514 0.84892 -0.02765 0.09323  -0.00959 689 PRO A CA  
586  C C   . PRO A 112 ? 0.69564 0.58553 0.85479 -0.02602 0.07803  -0.01348 689 PRO A C   
587  O O   . PRO A 112 ? 0.67313 0.58231 0.88140 -0.03075 0.08167  -0.03330 689 PRO A O   
588  C CB  . PRO A 112 ? 0.73994 0.57084 0.86497 -0.02857 0.12487  0.00714  689 PRO A CB  
589  C CG  . PRO A 112 ? 0.71166 0.55395 0.90275 -0.03794 0.14967  -0.01006 689 PRO A CG  
590  C CD  . PRO A 112 ? 0.68280 0.57020 0.90538 -0.04019 0.13566  -0.03241 689 PRO A CD  
591  N N   . CYS A 113 ? 0.61871 0.49832 0.74012 -0.01914 0.06078  0.00420  690 CYS A N   
592  C CA  . CYS A 113 ? 0.60955 0.49828 0.74577 -0.01462 0.04904  0.00578  690 CYS A CA  
593  C C   . CYS A 113 ? 0.62773 0.47948 0.75714 -0.01048 0.06284  0.02560  690 CYS A C   
594  O O   . CYS A 113 ? 0.65714 0.47503 0.75039 -0.00866 0.07401  0.04431  690 CYS A O   
595  C CB  . CYS A 113 ? 0.62020 0.52609 0.73155 -0.00891 0.02151  0.01473  690 CYS A CB  
596  S SG  . CYS A 113 ? 0.65936 0.53446 0.71392 -0.00429 0.00760  0.04368  690 CYS A SG  
597  N N   . PRO A 114 ? 0.60456 0.45926 0.76441 -0.00674 0.06362  0.02332  691 PRO A N   
598  C CA  . PRO A 114 ? 0.63196 0.45072 0.78734 0.00077  0.07579  0.04641  691 PRO A CA  
599  C C   . PRO A 114 ? 0.64822 0.46012 0.75920 0.01164  0.05270  0.07405  691 PRO A C   
600  O O   . PRO A 114 ? 0.64095 0.47934 0.73823 0.01188  0.02745  0.07188  691 PRO A O   
601  C CB  . PRO A 114 ? 0.62063 0.44925 0.82618 0.00247  0.08141  0.03119  691 PRO A CB  
602  C CG  . PRO A 114 ? 0.58324 0.44928 0.81652 -0.00684 0.07629  -0.00413 691 PRO A CG  
603  C CD  . PRO A 114 ? 0.57986 0.46778 0.77789 -0.00730 0.05609  -0.00078 691 PRO A CD  
604  N N   . TRP A 115 ? 0.80267 0.57840 0.89365 0.02097  0.06124  0.10090  692 TRP A N   
605  C CA  . TRP A 115 ? 0.83435 0.60424 0.88269 0.03228  0.03496  0.12742  692 TRP A CA  
606  C C   . TRP A 115 ? 0.81414 0.61027 0.89747 0.04127  0.01549  0.13206  692 TRP A C   
607  O O   . TRP A 115 ? 0.79790 0.62176 0.87506 0.04191  -0.01333 0.13341  692 TRP A O   
608  C CB  . TRP A 115 ? 0.87461 0.59660 0.88142 0.04271  0.04893  0.15768  692 TRP A CB  
609  C CG  . TRP A 115 ? 0.91097 0.62608 0.85567 0.05257  0.01677  0.18073  692 TRP A CG  
610  C CD1 . TRP A 115 ? 0.91450 0.63048 0.85346 0.06798  -0.00736 0.20571  692 TRP A CD1 
611  C CD2 . TRP A 115 ? 0.93014 0.63751 0.81278 0.04764  0.00343  0.17803  692 TRP A CD2 
612  N NE1 . TRP A 115 ? 0.93658 0.64798 0.81311 0.07167  -0.03835 0.21721  692 TRP A NE1 
613  C CE2 . TRP A 115 ? 0.94900 0.65210 0.78738 0.05894  -0.03106 0.19928  692 TRP A CE2 
614  C CE3 . TRP A 115 ? 0.93179 0.63514 0.79425 0.03561  0.01728  0.15881  692 TRP A CE3 
615  C CZ2 . TRP A 115 ? 0.98045 0.67278 0.75134 0.05668  -0.05270 0.19800  692 TRP A CZ2 
616  C CZ3 . TRP A 115 ? 0.96327 0.65342 0.75992 0.03505  0.00022  0.15985  692 TRP A CZ3 
617  C CH2 . TRP A 115 ? 0.98777 0.67087 0.73670 0.04464  -0.03468 0.17757  692 TRP A CH2 
618  N N   . VAL A 116 ? 0.80274 0.58908 0.92744 0.04832  0.03338  0.13460  693 VAL A N   
619  C CA  . VAL A 116 ? 0.78072 0.58931 0.94331 0.05929  0.02122  0.13950  693 VAL A CA  
620  C C   . VAL A 116 ? 0.74927 0.58656 0.95522 0.05151  0.03068  0.10595  693 VAL A C   
621  O O   . VAL A 116 ? 0.74534 0.57068 0.97360 0.04405  0.05510  0.08468  693 VAL A O   
622  C CB  . VAL A 116 ? 0.79065 0.56734 0.97004 0.07574  0.03548  0.16495  693 VAL A CB  
623  C CG1 . VAL A 116 ? 0.76475 0.56667 0.98712 0.08992  0.02281  0.17269  693 VAL A CG1 
624  C CG2 . VAL A 116 ? 0.82910 0.57252 0.95216 0.08560  0.02741  0.19993  693 VAL A CG2 
625  N N   . VAL A 117 ? 0.73504 0.61035 0.95133 0.05276  0.01092  0.10049  694 VAL A N   
626  C CA  . VAL A 117 ? 0.71907 0.62072 0.96871 0.05069  0.01949  0.07304  694 VAL A CA  
627  C C   . VAL A 117 ? 0.72165 0.60834 1.01235 0.06136  0.04055  0.07031  694 VAL A C   
628  O O   . VAL A 117 ? 0.72024 0.59590 1.02514 0.07566  0.03878  0.09617  694 VAL A O   
629  C CB  . VAL A 117 ? 0.70741 0.64792 0.95923 0.05286  -0.00183 0.07638  694 VAL A CB  
630  C CG1 . VAL A 117 ? 0.69781 0.66290 0.97616 0.05523  0.00982  0.05251  694 VAL A CG1 
631  C CG2 . VAL A 117 ? 0.70765 0.65692 0.92171 0.04149  -0.01955 0.07621  694 VAL A CG2 
632  N N   . THR A 118 ? 0.61409 0.49972 0.92510 0.05514  0.05953  0.03786  695 THR A N   
633  C CA  . THR A 118 ? 0.62014 0.48692 0.97009 0.06262  0.08280  0.02601  695 THR A CA  
634  C C   . THR A 118 ? 0.60289 0.49899 0.96558 0.06466  0.08498  -0.00392 695 THR A C   
635  O O   . THR A 118 ? 0.59589 0.52215 0.93626 0.05754  0.07176  -0.01833 695 THR A O   
636  C CB  . THR A 118 ? 0.64579 0.47664 1.01008 0.05158  0.10652  0.00901  695 THR A CB  
637  O OG1 . THR A 118 ? 0.62540 0.47438 0.98334 0.03471  0.10403  -0.02492 695 THR A OG1 
638  C CG2 . THR A 118 ? 0.67334 0.46997 1.01990 0.05191  0.11132  0.04134  695 THR A CG2 
639  N N   . PRO A 119 ? 0.72217 0.60728 1.11741 0.07626  0.10358  -0.01286 696 PRO A N   
640  C CA  . PRO A 119 ? 0.72274 0.63013 1.12050 0.07914  0.10990  -0.04549 696 PRO A CA  
641  C C   . PRO A 119 ? 0.72105 0.63018 1.10666 0.06342  0.11157  -0.08818 696 PRO A C   
642  O O   . PRO A 119 ? 0.72000 0.65981 1.08182 0.06245  0.10206  -0.10815 696 PRO A O   
643  C CB  . PRO A 119 ? 0.71607 0.60105 1.15240 0.09553  0.13394  -0.04598 696 PRO A CB  
644  C CG  . PRO A 119 ? 0.71785 0.58573 1.17151 0.10600  0.13099  -0.00189 696 PRO A CG  
645  C CD  . PRO A 119 ? 0.72393 0.57797 1.15115 0.09110  0.11893  0.01004  696 PRO A CD  
646  N N   . GLU A 120 ? 0.93680 0.81518 1.34014 0.05142  0.12282  -0.10123 697 GLU A N   
647  C CA  . GLU A 120 ? 0.92687 0.81279 1.32866 0.03450  0.11999  -0.14204 697 GLU A CA  
648  C C   . GLU A 120 ? 0.91950 0.84015 1.28758 0.02644  0.09599  -0.13819 697 GLU A C   
649  O O   . GLU A 120 ? 0.91429 0.85905 1.27249 0.01927  0.08557  -0.17029 697 GLU A O   
650  C CB  . GLU A 120 ? 0.91552 0.76299 1.35250 0.02099  0.13808  -0.15021 697 GLU A CB  
651  C CG  . GLU A 120 ? 0.92307 0.73259 1.39983 0.02504  0.16443  -0.16758 697 GLU A CG  
652  C CD  . GLU A 120 ? 0.93847 0.72206 1.42587 0.04473  0.17791  -0.12638 697 GLU A CD  
653  O OE1 . GLU A 120 ? 0.93118 0.73063 1.39394 0.05422  0.16269  -0.08670 697 GLU A OE1 
654  O OE2 . GLU A 120 ? 0.95775 0.70519 1.48073 0.05119  0.20258  -0.13438 697 GLU A OE2 
655  N N   . PHE A 121 ? 0.59003 0.51272 0.93963 0.02853  0.08596  -0.10004 698 PHE A N   
656  C CA  . PHE A 121 ? 0.58669 0.53626 0.90612 0.02165  0.06622  -0.09535 698 PHE A CA  
657  C C   . PHE A 121 ? 0.59765 0.58377 0.89302 0.03011  0.05239  -0.10027 698 PHE A C   
658  O O   . PHE A 121 ? 0.58679 0.59805 0.86324 0.02549  0.03960  -0.11457 698 PHE A O   
659  C CB  . PHE A 121 ? 0.59782 0.53368 0.90010 0.02191  0.06028  -0.05643 698 PHE A CB  
660  C CG  . PHE A 121 ? 0.60348 0.55909 0.87576 0.01519  0.04352  -0.05124 698 PHE A CG  
661  C CD1 . PHE A 121 ? 0.59185 0.54151 0.86538 0.00295  0.04769  -0.06158 698 PHE A CD1 
662  C CD2 . PHE A 121 ? 0.61435 0.59265 0.86274 0.02114  0.02616  -0.03484 698 PHE A CD2 
663  C CE1 . PHE A 121 ? 0.58873 0.55347 0.83706 -0.00110 0.03522  -0.05610 698 PHE A CE1 
664  C CE2 . PHE A 121 ? 0.61089 0.60161 0.83359 0.01544  0.01309  -0.03010 698 PHE A CE2 
665  C CZ  . PHE A 121 ? 0.60325 0.58658 0.82428 0.00527  0.01782  -0.04106 698 PHE A CZ  
666  N N   . LEU A 122 ? 0.66457 0.65411 0.96314 0.04395  0.05675  -0.08615 699 LEU A N   
667  C CA  . LEU A 122 ? 0.66637 0.68753 0.94465 0.05319  0.05046  -0.08757 699 LEU A CA  
668  C C   . LEU A 122 ? 0.65948 0.69279 0.92555 0.05478  0.05428  -0.12760 699 LEU A C   
669  O O   . LEU A 122 ? 0.66106 0.72126 0.89700 0.05693  0.04297  -0.13436 699 LEU A O   
670  C CB  . LEU A 122 ? 0.66966 0.69235 0.96536 0.06797  0.05926  -0.06425 699 LEU A CB  
671  C CG  . LEU A 122 ? 0.65543 0.67655 0.96218 0.06950  0.04846  -0.02427 699 LEU A CG  
672  C CD1 . LEU A 122 ? 0.66068 0.68982 0.99713 0.08514  0.05866  -0.00841 699 LEU A CD1 
673  C CD2 . LEU A 122 ? 0.65324 0.69536 0.93390 0.06211  0.02829  -0.01041 699 LEU A CD2 
674  N N   . GLU A 123 ? 0.84828 0.86058 1.13514 0.05493  0.06960  -0.15476 700 GLU A N   
675  C CA  . GLU A 123 ? 0.85866 0.88145 1.12911 0.05577  0.06929  -0.19825 700 GLU A CA  
676  C C   . GLU A 123 ? 0.84829 0.88893 1.10870 0.04196  0.04901  -0.21846 700 GLU A C   
677  O O   . GLU A 123 ? 0.85556 0.92232 1.08489 0.04608  0.03602  -0.24079 700 GLU A O   
678  C CB  . GLU A 123 ? 0.85588 0.84718 1.15523 0.05579  0.08950  -0.22755 700 GLU A CB  
679  C CG  . GLU A 123 ? 0.87177 0.85001 1.18017 0.07408  0.11176  -0.21509 700 GLU A CG  
680  C CD  . GLU A 123 ? 0.90913 0.91375 1.17743 0.09030  0.11398  -0.22061 700 GLU A CD  
681  O OE1 . GLU A 123 ? 0.93277 0.95637 1.16262 0.08862  0.10113  -0.24966 700 GLU A OE1 
682  O OE2 . GLU A 123 ? 0.90364 0.91079 1.18023 0.10578  0.12918  -0.19455 700 GLU A OE2 
683  N N   . LYS A 124 ? 0.79989 0.82748 1.08592 0.02749  0.04686  -0.20868 701 LYS A N   
684  C CA  . LYS A 124 ? 0.78856 0.83293 1.07976 0.01402  0.03152  -0.22840 701 LYS A CA  
685  C C   . LYS A 124 ? 0.79597 0.87601 1.04946 0.02025  0.01108  -0.21610 701 LYS A C   
686  O O   . LYS A 124 ? 0.78834 0.89603 1.02743 0.02122  -0.00528 -0.24204 701 LYS A O   
687  C CB  . LYS A 124 ? 0.77412 0.79394 1.09887 -0.00018 0.04058  -0.21246 701 LYS A CB  
688  C CG  . LYS A 124 ? 0.75738 0.78504 1.11452 -0.01702 0.03590  -0.24189 701 LYS A CG  
689  C CD  . LYS A 124 ? 0.73659 0.76452 1.09921 -0.02499 0.03536  -0.21740 701 LYS A CD  
690  C CE  . LYS A 124 ? 0.74714 0.73510 1.14629 -0.03613 0.06024  -0.20542 701 LYS A CE  
691  N NZ  . LYS A 124 ? 0.74385 0.73866 1.15918 -0.04725 0.06185  -0.19966 701 LYS A NZ  
692  N N   . TYR A 125 ? 0.67783 0.75691 0.91586 0.02515  0.01069  -0.17674 702 TYR A N   
693  C CA  . TYR A 125 ? 0.67071 0.77602 0.87728 0.03098  -0.00441 -0.16002 702 TYR A CA  
694  C C   . TYR A 125 ? 0.67703 0.79632 0.85301 0.04743  -0.00222 -0.14956 702 TYR A C   
695  O O   . TYR A 125 ? 0.67087 0.80727 0.82255 0.05351  -0.01033 -0.13035 702 TYR A O   
696  C CB  . TYR A 125 ? 0.66618 0.75880 0.87546 0.02424  -0.00568 -0.12710 702 TYR A CB  
697  C CG  . TYR A 125 ? 0.65704 0.73506 0.89259 0.00983  -0.00226 -0.13531 702 TYR A CG  
698  C CD1 . TYR A 125 ? 0.64619 0.74497 0.88764 0.00452  -0.01261 -0.15094 702 TYR A CD1 
699  C CD2 . TYR A 125 ? 0.66430 0.70815 0.92183 0.00314  0.01352  -0.12578 702 TYR A CD2 
700  C CE1 . TYR A 125 ? 0.62804 0.71546 0.90238 -0.00895 -0.00476 -0.15849 702 TYR A CE1 
701  C CE2 . TYR A 125 ? 0.65290 0.68061 0.93559 -0.00966 0.02297  -0.13115 702 TYR A CE2 
702  C CZ  . TYR A 125 ? 0.63403 0.68441 0.92807 -0.01660 0.01514  -0.14843 702 TYR A CZ  
703  O OH  . TYR A 125 ? 0.62619 0.66394 0.95361 -0.02942 0.02833  -0.15379 702 TYR A OH  
704  N N   . LYS A 126 ? 0.70765 0.81802 0.88643 0.05531  0.01199  -0.16223 703 LYS A N   
705  C CA  . LYS A 126 ? 0.71783 0.83983 0.87009 0.07246  0.02126  -0.15471 703 LYS A CA  
706  C C   . LYS A 126 ? 0.71356 0.84077 0.86611 0.07627  0.02304  -0.11233 703 LYS A C   
707  O O   . LYS A 126 ? 0.72120 0.86634 0.84756 0.08673  0.02416  -0.09957 703 LYS A O   
708  C CB  . LYS A 126 ? 0.72717 0.87357 0.83627 0.08201  0.01101  -0.17832 703 LYS A CB  
709  C CG  . LYS A 126 ? 0.73281 0.87646 0.84675 0.07580  0.00415  -0.22514 703 LYS A CG  
710  C CD  . LYS A 126 ? 0.75148 0.92121 0.81846 0.08657  -0.01187 -0.25184 703 LYS A CD  
711  C CE  . LYS A 126 ? 0.72515 0.90266 0.81235 0.07273  -0.03243 -0.29359 703 LYS A CE  
712  N NZ  . LYS A 126 ? 0.69355 0.87929 0.81518 0.05831  -0.04542 -0.27687 703 LYS A NZ  
713  N N   . ILE A 127 ? 0.62910 0.73924 0.81181 0.06771  0.02326  -0.09059 704 ILE A N   
714  C CA  . ILE A 127 ? 0.62384 0.73771 0.81458 0.06805  0.02044  -0.05418 704 ILE A CA  
715  C C   . ILE A 127 ? 0.62956 0.74722 0.83921 0.08058  0.03754  -0.04166 704 ILE A C   
716  O O   . ILE A 127 ? 0.64099 0.74448 0.87292 0.08530  0.05064  -0.05064 704 ILE A O   
717  C CB  . ILE A 127 ? 0.61993 0.71371 0.82896 0.05588  0.01121  -0.03827 704 ILE A CB  
718  C CG1 . ILE A 127 ? 0.60964 0.69963 0.80336 0.04456  -0.00017 -0.04937 704 ILE A CG1 
719  C CG2 . ILE A 127 ? 0.60479 0.70286 0.82472 0.05561  0.00399  -0.00483 704 ILE A CG2 
720  C CD1 . ILE A 127 ? 0.62126 0.68393 0.83019 0.03460  0.00161  -0.04946 704 ILE A CD1 
721  N N   . ASP A 128 ? 0.62168 0.75757 0.82768 0.08644  0.04025  -0.02013 705 ASP A N   
722  C CA  . ASP A 128 ? 0.61381 0.75811 0.84732 0.09798  0.05870  -0.00390 705 ASP A CA  
723  C C   . ASP A 128 ? 0.58801 0.73189 0.86595 0.09174  0.04919  0.02522  705 ASP A C   
724  O O   . ASP A 128 ? 0.57783 0.72318 0.89466 0.10027  0.06105  0.03484  705 ASP A O   
725  C CB  . ASP A 128 ? 0.61617 0.78078 0.82856 0.10784  0.07094  0.00633  705 ASP A CB  
726  C CG  . ASP A 128 ? 0.65028 0.81757 0.81073 0.11914  0.07963  -0.02141 705 ASP A CG  
727  O OD1 . ASP A 128 ? 0.66137 0.82191 0.81618 0.12993  0.09683  -0.04314 705 ASP A OD1 
728  O OD2 . ASP A 128 ? 0.65692 0.83258 0.78068 0.11829  0.06806  -0.02207 705 ASP A OD2 
729  N N   . TYR A 129 ? 0.54444 0.68655 0.81736 0.07819  0.02705  0.03842  706 TYR A N   
730  C CA  . TYR A 129 ? 0.51113 0.65422 0.81836 0.07143  0.01157  0.06347  706 TYR A CA  
731  C C   . TYR A 129 ? 0.50472 0.62900 0.78955 0.05728  -0.01161 0.06357  706 TYR A C   
732  O O   . TYR A 129 ? 0.51371 0.63334 0.76437 0.05066  -0.01649 0.05314  706 TYR A O   
733  C CB  . TYR A 129 ? 0.49005 0.65598 0.82115 0.07000  0.01155  0.08540  706 TYR A CB  
734  C CG  . TYR A 129 ? 0.49089 0.67595 0.84567 0.08455  0.03943  0.09031  706 TYR A CG  
735  C CD1 . TYR A 129 ? 0.51329 0.70344 0.83239 0.09315  0.05905  0.08060  706 TYR A CD1 
736  C CD2 . TYR A 129 ? 0.47551 0.67413 0.88822 0.09180  0.04712  0.10619  706 TYR A CD2 
737  C CE1 . TYR A 129 ? 0.52421 0.72816 0.85683 0.10831  0.08878  0.08568  706 TYR A CE1 
738  C CE2 . TYR A 129 ? 0.47302 0.68830 0.90951 0.10644  0.07816  0.11123  706 TYR A CE2 
739  C CZ  . TYR A 129 ? 0.50194 0.71776 0.89472 0.11455  0.10054  0.10065  706 TYR A CZ  
740  O OH  . TYR A 129 ? 0.51695 0.74543 0.92393 0.13102  0.13555  0.10573  706 TYR A OH  
741  N N   . VAL A 130 ? 0.61598 0.73035 0.92026 0.05471  -0.02542 0.07768  707 VAL A N   
742  C CA  . VAL A 130 ? 0.62232 0.71625 0.90229 0.04344  -0.04645 0.08215  707 VAL A CA  
743  C C   . VAL A 130 ? 0.59957 0.70523 0.89506 0.03604  -0.06847 0.10143  707 VAL A C   
744  O O   . VAL A 130 ? 0.58191 0.70703 0.92191 0.04116  -0.07221 0.11673  707 VAL A O   
745  C CB  . VAL A 130 ? 0.64399 0.71389 0.92587 0.04785  -0.04640 0.08480  707 VAL A CB  
746  C CG1 . VAL A 130 ? 0.64163 0.69015 0.89552 0.03957  -0.06788 0.09592  707 VAL A CG1 
747  C CG2 . VAL A 130 ? 0.67055 0.72535 0.94079 0.05032  -0.02531 0.06132  707 VAL A CG2 
748  N N   . ALA A 131 ? 0.64414 0.73860 0.90808 0.02383  -0.08273 0.09920  708 ALA A N   
749  C CA  . ALA A 131 ? 0.62547 0.72746 0.90211 0.01366  -0.10459 0.11135  708 ALA A CA  
750  C C   . ALA A 131 ? 0.63873 0.71410 0.87930 0.00539  -0.12849 0.11226  708 ALA A C   
751  O O   . ALA A 131 ? 0.66531 0.71532 0.86080 0.00261  -0.12339 0.10119  708 ALA A O   
752  C CB  . ALA A 131 ? 0.60687 0.71685 0.87916 0.00702  -0.09749 0.10779  708 ALA A CB  
753  N N   . HIS A 132 ? 0.59951 0.68226 0.86055 0.00168  -0.15466 0.12497  709 HIS A N   
754  C CA  . HIS A 132 ? 0.62520 0.68539 0.85093 -0.00275 -0.18245 0.12854  709 HIS A CA  
755  C C   . HIS A 132 ? 0.61277 0.69886 0.88477 -0.00646 -0.21316 0.14144  709 HIS A C   
756  O O   . HIS A 132 ? 0.58005 0.69994 0.91530 -0.00394 -0.20645 0.14920  709 HIS A O   
757  C CB  . HIS A 132 ? 0.65215 0.68993 0.85137 0.00967  -0.17493 0.13338  709 HIS A CB  
758  C CG  . HIS A 132 ? 0.69213 0.69903 0.83698 0.00834  -0.19689 0.13809  709 HIS A CG  
759  N ND1 . HIS A 132 ? 0.70434 0.71683 0.85444 0.01284  -0.22925 0.15386  709 HIS A ND1 
760  C CD2 . HIS A 132 ? 0.73058 0.70052 0.81215 0.00496  -0.18999 0.12978  709 HIS A CD2 
761  C CE1 . HIS A 132 ? 0.74462 0.72227 0.82782 0.01283  -0.24223 0.15474  709 HIS A CE1 
762  N NE2 . HIS A 132 ? 0.75848 0.70868 0.79992 0.00788  -0.21613 0.14048  709 HIS A NE2 
763  N N   . ASP A 133 ? 0.64253 0.71370 0.88365 -0.01219 -0.24675 0.14290  710 ASP A N   
764  C CA  . ASP A 133 ? 0.64090 0.74025 0.92920 -0.01651 -0.28291 0.15276  710 ASP A CA  
765  C C   . ASP A 133 ? 0.66532 0.78499 0.99222 0.00201  -0.28888 0.17314  710 ASP A C   
766  O O   . ASP A 133 ? 0.68566 0.78346 0.98010 0.01671  -0.27427 0.17940  710 ASP A O   
767  C CB  . ASP A 133 ? 0.68086 0.75742 0.91753 -0.02782 -0.32172 0.14445  710 ASP A CB  
768  C CG  . ASP A 133 ? 0.73800 0.77720 0.89709 -0.01575 -0.32761 0.14883  710 ASP A CG  
769  O OD1 . ASP A 133 ? 0.77286 0.82036 0.94128 -0.00031 -0.34146 0.16742  710 ASP A OD1 
770  O OD2 . ASP A 133 ? 0.76892 0.76916 0.85878 -0.02053 -0.31589 0.13544  710 ASP A OD2 
771  N N   . ASP A 134 ? 1.00501 0.87732 1.10322 -0.20470 -0.38531 0.22112  711 ASP A N   
772  C CA  . ASP A 134 ? 1.03309 0.93970 1.09841 -0.19424 -0.34518 0.22451  711 ASP A CA  
773  C C   . ASP A 134 ? 1.02310 0.95084 1.08119 -0.15771 -0.34367 0.19047  711 ASP A C   
774  O O   . ASP A 134 ? 1.05472 0.99979 1.07815 -0.14120 -0.31354 0.19136  711 ASP A O   
775  C CB  . ASP A 134 ? 1.05335 0.99741 1.15774 -0.21774 -0.33141 0.25067  711 ASP A CB  
776  C CG  . ASP A 134 ? 1.08256 1.04767 1.27466 -0.22647 -0.36080 0.23802  711 ASP A CG  
777  O OD1 . ASP A 134 ? 1.07520 1.05630 1.28824 -0.19706 -0.37950 0.19881  711 ASP A OD1 
778  O OD2 . ASP A 134 ? 1.11666 1.08696 1.35956 -0.26330 -0.36414 0.26739  711 ASP A OD2 
779  N N   . ILE A 135 ? 0.93755 0.86602 1.02275 -0.14027 -0.37609 0.16044  712 ILE A N   
780  C CA  . ILE A 135 ? 0.93595 0.89037 1.00153 -0.10047 -0.37346 0.13232  712 ILE A CA  
781  C C   . ILE A 135 ? 0.97399 0.90357 0.95995 -0.08910 -0.33739 0.14045  712 ILE A C   
782  O O   . ILE A 135 ? 0.97168 0.87281 0.93230 -0.10085 -0.33604 0.14001  712 ILE A O   
783  C CB  . ILE A 135 ? 0.88667 0.85662 0.98900 -0.08115 -0.41495 0.09517  712 ILE A CB  
784  C CG1 . ILE A 135 ? 0.85205 0.84464 1.04647 -0.08996 -0.45404 0.07864  712 ILE A CG1 
785  C CG2 . ILE A 135 ? 0.89692 0.89964 0.96062 -0.03720 -0.40603 0.07363  712 ILE A CG2 
786  C CD1 . ILE A 135 ? 0.81884 0.81069 1.06166 -0.08035 -0.50433 0.04128  712 ILE A CD1 
787  N N   . PRO A 136 ? 0.85159 0.78970 0.80143 -0.06585 -0.30970 0.14539  713 PRO A N   
788  C CA  . PRO A 136 ? 0.89440 0.79700 0.77607 -0.05746 -0.27545 0.15466  713 PRO A CA  
789  C C   . PRO A 136 ? 0.89133 0.78689 0.75080 -0.04782 -0.27956 0.14088  713 PRO A C   
790  O O   . PRO A 136 ? 0.86812 0.79887 0.74719 -0.02532 -0.30367 0.12117  713 PRO A O   
791  C CB  . PRO A 136 ? 0.93048 0.84411 0.78798 -0.02387 -0.25738 0.15893  713 PRO A CB  
792  C CG  . PRO A 136 ? 0.91609 0.87695 0.82961 -0.02606 -0.27417 0.15382  713 PRO A CG  
793  C CD  . PRO A 136 ? 0.86220 0.84212 0.83699 -0.04446 -0.31118 0.13975  713 PRO A CD  
794  N N   . TYR A 137 ? 1.01071 0.86985 0.83247 -0.06455 -0.25516 0.14714  714 TYR A N   
795  C CA  . TYR A 137 ? 1.01913 0.87891 0.82684 -0.06781 -0.25500 0.13278  714 TYR A CA  
796  C C   . TYR A 137 ? 1.07997 0.90896 0.83378 -0.06168 -0.21352 0.14718  714 TYR A C   
797  O O   . TYR A 137 ? 1.10485 0.89413 0.84038 -0.08348 -0.18770 0.15377  714 TYR A O   
798  C CB  . TYR A 137 ? 1.00062 0.84944 0.82459 -0.09870 -0.26636 0.12245  714 TYR A CB  
799  C CG  . TYR A 137 ? 0.99267 0.86641 0.82521 -0.09785 -0.28329 0.09527  714 TYR A CG  
800  C CD1 . TYR A 137 ? 1.05181 0.92330 0.85271 -0.10447 -0.25367 0.08968  714 TYR A CD1 
801  C CD2 . TYR A 137 ? 0.92845 0.83113 0.80613 -0.09051 -0.32934 0.07245  714 TYR A CD2 
802  C CE1 . TYR A 137 ? 1.05114 0.96199 0.86250 -0.10347 -0.26713 0.06078  714 TYR A CE1 
803  C CE2 . TYR A 137 ? 0.91580 0.85145 0.80335 -0.08365 -0.34818 0.04023  714 TYR A CE2 
804  C CZ  . TYR A 137 ? 0.97860 0.92522 0.83143 -0.08989 -0.31580 0.03365  714 TYR A CZ  
805  O OH  . TYR A 137 ? 0.97040 0.96591 0.83554 -0.08356 -0.33248 -0.00270 714 TYR A OH  
806  N N   . ALA A 138 ? 0.94843 0.79542 0.67798 -0.03137 -0.20781 0.15199  715 ALA A N   
807  C CA  . ALA A 138 ? 1.00639 0.81200 0.68150 -0.02255 -0.16730 0.17787  715 ALA A CA  
808  C C   . ALA A 138 ? 1.04037 0.82955 0.70128 -0.05299 -0.14121 0.17645  715 ALA A C   
809  O O   . ALA A 138 ? 1.02856 0.85491 0.71647 -0.07068 -0.15741 0.15059  715 ALA A O   
810  C CB  . ALA A 138 ? 1.03846 0.87254 0.68376 0.02428  -0.16934 0.18926  715 ALA A CB  
811  N N   . ASN A 139 ? 1.46688 1.19937 1.08935 -0.05891 -0.10118 0.20241  716 ASN A N   
812  C CA  . ASN A 139 ? 1.50633 1.22390 1.12348 -0.09360 -0.07098 0.20139  716 ASN A CA  
813  C C   . ASN A 139 ? 1.56695 1.28145 1.13775 -0.07803 -0.04105 0.23438  716 ASN A C   
814  O O   . ASN A 139 ? 1.58202 1.36312 1.14968 -0.07050 -0.04606 0.22687  716 ASN A O   
815  C CB  . ASN A 139 ? 1.51555 1.16409 1.13808 -0.12405 -0.04660 0.20150  716 ASN A CB  
816  C CG  . ASN A 139 ? 1.52328 1.17947 1.17111 -0.16845 -0.03090 0.17673  716 ASN A CG  
817  O OD1 . ASN A 139 ? 1.51704 1.23275 1.17723 -0.17688 -0.03781 0.15976  716 ASN A OD1 
818  N ND2 . ASN A 139 ? 1.53980 1.14467 1.20056 -0.19436 -0.01248 0.16693  716 ASN A ND2 
819  N N   . ASN A 140 ? 1.50896 1.14688 1.04195 -0.06974 -0.01125 0.27151  717 ASN A N   
820  C CA  . ASN A 140 ? 1.57898 1.18563 1.05677 -0.05521 0.02393  0.31836  717 ASN A CA  
821  C C   . ASN A 140 ? 1.61282 1.11141 1.06930 -0.05190 0.04491  0.34610  717 ASN A C   
822  O O   . ASN A 140 ? 1.67032 1.11819 1.07320 -0.02041 0.06283  0.39112  717 ASN A O   
823  C CB  . ASN A 140 ? 1.61791 1.24581 1.09815 -0.09679 0.05785  0.32301  717 ASN A CB  
824  N N   . GLN A 141 ? 1.84456 1.31094 1.34244 -0.07951 0.03901  0.31628  718 GLN A N   
825  C CA  . GLN A 141 ? 1.87374 1.25188 1.36540 -0.07196 0.04775  0.32452  718 GLN A CA  
826  C C   . GLN A 141 ? 1.82445 1.22899 1.34192 -0.05294 0.01371  0.29281  718 GLN A C   
827  O O   . GLN A 141 ? 1.85678 1.20949 1.36197 -0.02781 0.01316  0.29793  718 GLN A O   
828  C CB  . GLN A 141 ? 1.90279 1.21723 1.42311 -0.12387 0.07819  0.31449  718 GLN A CB  
829  C CG  . GLN A 141 ? 1.84547 1.22339 1.41736 -0.17023 0.07277  0.26985  718 GLN A CG  
830  C CD  . GLN A 141 ? 1.85921 1.27849 1.42899 -0.19745 0.09529  0.28049  718 GLN A CD  
831  O OE1 . GLN A 141 ? 1.80647 1.31437 1.38329 -0.19155 0.07407  0.26340  718 GLN A OE1 
832  N NE2 . GLN A 141 ? 1.93798 1.29510 1.50191 -0.22795 0.13838  0.30751  718 GLN A NE2 
833  N N   . LYS A 142 ? 1.51954 1.00342 1.07254 -0.06330 -0.01440 0.26163  719 LYS A N   
834  C CA  . LYS A 142 ? 1.47655 0.99593 1.05362 -0.04869 -0.04361 0.24019  719 LYS A CA  
835  C C   . LYS A 142 ? 1.43577 1.02743 1.01822 -0.02038 -0.07388 0.23933  719 LYS A C   
836  O O   . LYS A 142 ? 1.41900 1.05331 1.00485 -0.02404 -0.08173 0.23681  719 LYS A O   
837  C CB  . LYS A 142 ? 1.43735 0.98000 1.05574 -0.08682 -0.05216 0.20683  719 LYS A CB  
838  N N   . GLU A 143 ? 1.22447 0.83634 0.81326 0.00901  -0.09180 0.23602  738 GLU A N   
839  C CA  . GLU A 143 ? 1.18048 0.86445 0.79083 0.03169  -0.12317 0.22678  738 GLU A CA  
840  C C   . GLU A 143 ? 1.12119 0.85484 0.78536 -0.00006 -0.14831 0.20360  738 GLU A C   
841  O O   . GLU A 143 ? 1.08270 0.86925 0.77463 0.00780  -0.17581 0.19182  738 GLU A O   
842  C CB  . GLU A 143 ? 1.19295 0.88871 0.79716 0.07410  -0.13214 0.22834  738 GLU A CB  
843  N N   . ASP A 144 ? 1.25198 0.96887 0.93135 -0.03312 -0.14166 0.19599  739 ASP A N   
844  C CA  . ASP A 144 ? 1.20260 0.96089 0.92538 -0.05752 -0.16634 0.18323  739 ASP A CA  
845  C C   . ASP A 144 ? 1.18951 0.93578 0.91850 -0.09255 -0.16435 0.17185  739 ASP A C   
846  O O   . ASP A 144 ? 1.15099 0.92565 0.90892 -0.10649 -0.19020 0.16280  739 ASP A O   
847  C CB  . ASP A 144 ? 1.20608 0.98576 0.94565 -0.05561 -0.16848 0.18558  739 ASP A CB  
848  C CG  . ASP A 144 ? 1.16263 0.98185 0.94504 -0.08198 -0.19158 0.18435  739 ASP A CG  
849  O OD1 . ASP A 144 ? 1.12446 0.95265 0.92932 -0.09401 -0.21422 0.17873  739 ASP A OD1 
850  O OD2 . ASP A 144 ? 1.17254 1.01452 0.96585 -0.08980 -0.18726 0.19024  739 ASP A OD2 
851  N N   . ILE A 145 ? 0.99746 0.70307 0.70512 -0.10529 -0.13791 0.16813  740 ILE A N   
852  C CA  . ILE A 145 ? 0.98740 0.69085 0.70412 -0.13531 -0.13676 0.14879  740 ILE A CA  
853  C C   . ILE A 145 ? 0.97229 0.70281 0.70664 -0.14795 -0.15432 0.14181  740 ILE A C   
854  O O   . ILE A 145 ? 0.96476 0.69143 0.69778 -0.16398 -0.14814 0.12400  740 ILE A O   
855  C CB  . ILE A 145 ? 0.98590 0.71160 0.71245 -0.14235 -0.14929 0.13840  740 ILE A CB  
856  C CG1 . ILE A 145 ? 1.03463 0.73228 0.73745 -0.14435 -0.11791 0.14367  740 ILE A CG1 
857  C CG2 . ILE A 145 ? 0.96575 0.71369 0.71372 -0.16492 -0.16758 0.11344  740 ILE A CG2 
858  C CD1 . ILE A 145 ? 1.04073 0.77404 0.75522 -0.15795 -0.12343 0.12506  740 ILE A CD1 
859  N N   . TYR A 146 ? 1.06765 0.82880 0.81949 -0.14096 -0.17541 0.15600  741 TYR A N   
860  C CA  . TYR A 146 ? 1.04547 0.83150 0.80663 -0.15238 -0.18512 0.16206  741 TYR A CA  
861  C C   . TYR A 146 ? 1.08783 0.88742 0.84043 -0.14110 -0.16766 0.17133  741 TYR A C   
862  O O   . TYR A 146 ? 1.09231 0.92483 0.84829 -0.14914 -0.16990 0.18019  741 TYR A O   
863  C CB  . TYR A 146 ? 1.02704 0.83714 0.82066 -0.15926 -0.21839 0.17485  741 TYR A CB  
864  C CG  . TYR A 146 ? 0.99942 0.80335 0.80477 -0.16573 -0.24317 0.15847  741 TYR A CG  
865  C CD1 . TYR A 146 ? 0.98829 0.79095 0.78602 -0.17771 -0.25250 0.14777  741 TYR A CD1 
866  C CD2 . TYR A 146 ? 0.98705 0.79608 0.81051 -0.15435 -0.25957 0.14833  741 TYR A CD2 
867  C CE1 . TYR A 146 ? 0.95992 0.76381 0.77022 -0.17878 -0.27848 0.12625  741 TYR A CE1 
868  C CE2 . TYR A 146 ? 0.96200 0.77677 0.79884 -0.15605 -0.28440 0.12632  741 TYR A CE2 
869  C CZ  . TYR A 146 ? 0.94551 0.75622 0.77697 -0.16860 -0.29422 0.11485  741 TYR A CZ  
870  O OH  . TYR A 146 ? 0.91088 0.73333 0.75741 -0.16574 -0.32210 0.08714  741 TYR A OH  
871  N N   . ALA A 147 ? 0.77226 0.60825 0.91630 0.09257  -0.07571 0.11274  742 ALA A N   
872  C CA  . ALA A 147 ? 0.77874 0.64605 0.94394 0.11985  -0.09431 0.11034  742 ALA A CA  
873  C C   . ALA A 147 ? 0.75697 0.67429 0.96960 0.11385  -0.07659 0.10090  742 ALA A C   
874  O O   . ALA A 147 ? 0.72202 0.71271 0.98877 0.11475  -0.08705 0.09663  742 ALA A O   
875  C CB  . ALA A 147 ? 0.85598 0.63914 0.95155 0.15058  -0.10062 0.11262  742 ALA A CB  
876  N N   . TRP A 148 ? 0.73571 0.61187 0.92684 0.10570  -0.04737 0.09518  743 TRP A N   
877  C CA  . TRP A 148 ? 0.72134 0.63551 0.94869 0.10288  -0.03184 0.08438  743 TRP A CA  
878  C C   . TRP A 148 ? 0.67994 0.66889 0.96086 0.08030  -0.03275 0.08203  743 TRP A C   
879  O O   . TRP A 148 ? 0.67040 0.70725 0.98454 0.08196  -0.02968 0.07528  743 TRP A O   
880  C CB  . TRP A 148 ? 0.75323 0.60814 0.94950 0.09359  -0.00033 0.07545  743 TRP A CB  
881  C CG  . TRP A 148 ? 0.72900 0.58104 0.93362 0.06284  0.01806  0.06850  743 TRP A CG  
882  C CD1 . TRP A 148 ? 0.74167 0.54522 0.91337 0.04965  0.02740  0.06988  743 TRP A CD1 
883  C CD2 . TRP A 148 ? 0.70735 0.60527 0.95603 0.04387  0.02821  0.05471  743 TRP A CD2 
884  N NE1 . TRP A 148 ? 0.70892 0.53307 0.91179 0.02439  0.04279  0.05505  743 TRP A NE1 
885  C CE2 . TRP A 148 ? 0.69074 0.57064 0.93936 0.02208  0.04053  0.04565  743 TRP A CE2 
886  C CE3 . TRP A 148 ? 0.70769 0.65736 0.99255 0.04443  0.02702  0.04703  743 TRP A CE3 
887  C CZ2 . TRP A 148 ? 0.66859 0.58347 0.95705 0.00492  0.04578  0.02761  743 TRP A CZ2 
888  C CZ3 . TRP A 148 ? 0.69933 0.67501 1.01179 0.02619  0.03280  0.03252  743 TRP A CZ3 
889  C CH2 . TRP A 148 ? 0.67490 0.63434 0.99143 0.00841  0.03938  0.02208  743 TRP A CH2 
890  N N   . LEU A 149 ? 0.62403 0.61698 0.90718 0.05986  -0.03669 0.08686  744 LEU A N   
891  C CA  . LEU A 149 ? 0.58477 0.63335 0.90430 0.04070  -0.04188 0.08672  744 LEU A CA  
892  C C   . LEU A 149 ? 0.56008 0.66290 0.90778 0.04396  -0.05933 0.09249  744 LEU A C   
893  O O   . LEU A 149 ? 0.53866 0.68596 0.91146 0.03283  -0.05563 0.08974  744 LEU A O   
894  C CB  . LEU A 149 ? 0.56825 0.60127 0.88088 0.02237  -0.04532 0.08869  744 LEU A CB  
895  C CG  . LEU A 149 ? 0.58059 0.57533 0.88229 0.01400  -0.02400 0.07448  744 LEU A CG  
896  C CD1 . LEU A 149 ? 0.57128 0.53728 0.86001 0.00256  -0.02432 0.07305  744 LEU A CD1 
897  C CD2 . LEU A 149 ? 0.57846 0.60411 0.90761 0.00474  -0.01886 0.06107  744 LEU A CD2 
898  N N   . LYS A 150 ? 0.59494 0.69308 0.93732 0.05788  -0.07753 0.09785  745 LYS A N   
899  C CA  . LYS A 150 ? 0.55508 0.71250 0.93614 0.05965  -0.09292 0.09634  745 LYS A CA  
900  C C   . LYS A 150 ? 0.56350 0.75676 0.97300 0.07660  -0.08585 0.08371  745 LYS A C   
901  O O   . LYS A 150 ? 0.53608 0.78818 0.98458 0.06434  -0.07967 0.07700  745 LYS A O   
902  C CB  . LYS A 150 ? 0.56779 0.71256 0.93936 0.07270  -0.11923 0.10036  745 LYS A CB  
903  C CG  . LYS A 150 ? 0.56735 0.67866 0.91162 0.05517  -0.12486 0.11089  745 LYS A CG  
904  C CD  . LYS A 150 ? 0.60617 0.68156 0.92028 0.07205  -0.14860 0.11452  745 LYS A CD  
905  C CE  . LYS A 150 ? 0.61271 0.64349 0.89145 0.05517  -0.14687 0.12265  745 LYS A CE  
906  N NZ  . LYS A 150 ? 0.65838 0.64804 0.89799 0.06960  -0.17019 0.12630  745 LYS A NZ  
907  N N   . ARG A 151 ? 0.69485 0.84785 1.08091 0.10369  -0.08407 0.07907  746 ARG A N   
908  C CA  . ARG A 151 ? 0.70299 0.88438 1.11446 0.12348  -0.07762 0.06463  746 ARG A CA  
909  C C   . ARG A 151 ? 0.70318 0.91117 1.12951 0.10389  -0.05110 0.05886  746 ARG A C   
910  O O   . ARG A 151 ? 0.69302 0.94856 1.15356 0.10944  -0.04282 0.04544  746 ARG A O   
911  C CB  . ARG A 151 ? 0.75129 0.86480 1.11979 0.15585  -0.08074 0.06261  746 ARG A CB  
912  N N   . ALA A 152 ? 0.59483 0.77308 0.99621 0.08245  -0.03865 0.06555  747 ALA A N   
913  C CA  . ALA A 152 ? 0.59177 0.78742 0.99872 0.06620  -0.01967 0.05891  747 ALA A CA  
914  C C   . ALA A 152 ? 0.55750 0.79373 0.97814 0.03964  -0.02073 0.06381  747 ALA A C   
915  O O   . ALA A 152 ? 0.56443 0.81255 0.98107 0.02690  -0.00793 0.05876  747 ALA A O   
916  C CB  . ALA A 152 ? 0.62134 0.76572 0.99895 0.05936  -0.00870 0.05693  747 ALA A CB  
917  N N   . GLY A 153 ? 0.71086 0.96245 1.14131 0.03127  -0.03593 0.07283  748 GLY A N   
918  C CA  . GLY A 153 ? 0.68368 0.95891 1.11698 0.00363  -0.03662 0.07929  748 GLY A CA  
919  C C   . GLY A 153 ? 0.68026 0.91723 1.08230 -0.01196 -0.04380 0.08905  748 GLY A C   
920  O O   . GLY A 153 ? 0.67320 0.91595 1.06582 -0.03363 -0.04676 0.09580  748 GLY A O   
921  N N   . LYS A 154 ? 0.57485 0.77050 0.96007 -0.00218 -0.04577 0.08759  749 LYS A N   
922  C CA  . LYS A 154 ? 0.56871 0.73537 0.93511 -0.01357 -0.05162 0.08817  749 LYS A CA  
923  C C   . LYS A 154 ? 0.54988 0.69699 0.90988 -0.01868 -0.06721 0.09704  749 LYS A C   
924  O O   . LYS A 154 ? 0.54761 0.66829 0.89813 -0.02276 -0.07181 0.09269  749 LYS A O   
925  C CB  . LYS A 154 ? 0.60537 0.74486 0.96678 -0.00468 -0.04023 0.07403  749 LYS A CB  
926  C CG  . LYS A 154 ? 0.63674 0.79079 1.00257 0.00226  -0.02514 0.06355  749 LYS A CG  
927  C CD  . LYS A 154 ? 0.67621 0.80570 1.03919 0.00483  -0.01521 0.04600  749 LYS A CD  
928  C CE  . LYS A 154 ? 0.69824 0.84476 1.05860 0.00392  -0.00907 0.03535  749 LYS A CE  
929  N NZ  . LYS A 154 ? 0.67777 0.83569 1.02210 -0.00933 -0.02355 0.04204  749 LYS A NZ  
930  N N   . PHE A 155 ? 0.63029 0.79208 0.99887 -0.01770 -0.07628 0.10552  750 PHE A N   
931  C CA  . PHE A 155 ? 0.61345 0.75524 0.97298 -0.02171 -0.09173 0.11301  750 PHE A CA  
932  C C   . PHE A 155 ? 0.57773 0.74177 0.94315 -0.04106 -0.10336 0.12155  750 PHE A C   
933  O O   . PHE A 155 ? 0.56048 0.76286 0.94726 -0.04571 -0.10150 0.12146  750 PHE A O   
934  C CB  . PHE A 155 ? 0.61885 0.74711 0.97439 -0.00320 -0.09684 0.11394  750 PHE A CB  
935  C CG  . PHE A 155 ? 0.61394 0.71315 0.95125 -0.00593 -0.11113 0.11993  750 PHE A CG  
936  C CD1 . PHE A 155 ? 0.63226 0.68702 0.94604 -0.00781 -0.10394 0.11637  750 PHE A CD1 
937  C CD2 . PHE A 155 ? 0.59121 0.71003 0.93828 -0.00813 -0.13033 0.12532  750 PHE A CD2 
938  C CE1 . PHE A 155 ? 0.63003 0.65598 0.92404 -0.01092 -0.11442 0.11991  750 PHE A CE1 
939  C CE2 . PHE A 155 ? 0.59265 0.68191 0.91900 -0.01021 -0.14451 0.12976  750 PHE A CE2 
940  C CZ  . PHE A 155 ? 0.61180 0.65219 0.90826 -0.01123 -0.13588 0.12802  750 PHE A CZ  
941  N N   . LYS A 156 ? 0.62906 0.76799 0.97722 -0.05301 -0.11405 0.12595  751 LYS A N   
942  C CA  . LYS A 156 ? 0.61459 0.75827 0.95771 -0.07331 -0.12517 0.13490  751 LYS A CA  
943  C C   . LYS A 156 ? 0.60761 0.73228 0.94701 -0.07245 -0.14154 0.13862  751 LYS A C   
944  O O   . LYS A 156 ? 0.60898 0.69965 0.93305 -0.06805 -0.14745 0.13603  751 LYS A O   
945  C CB  . LYS A 156 ? 0.62121 0.74084 0.93691 -0.08523 -0.12845 0.13686  751 LYS A CB  
946  C CG  . LYS A 156 ? 0.64681 0.77992 0.95594 -0.08746 -0.11321 0.13328  751 LYS A CG  
947  C CD  . LYS A 156 ? 0.64037 0.81537 0.96791 -0.10001 -0.09702 0.13483  751 LYS A CD  
948  C CE  . LYS A 156 ? 0.65586 0.82509 0.96326 -0.12997 -0.09594 0.14392  751 LYS A CE  
949  N NZ  . LYS A 156 ? 0.66525 0.87446 0.98774 -0.14666 -0.07062 0.13870  751 LYS A NZ  
950  N N   . ALA A 157 ? 0.50781 0.65686 0.86438 -0.07629 -0.14888 0.14087  752 ALA A N   
951  C CA  . ALA A 157 ? 0.51556 0.64577 0.86535 -0.07200 -0.16598 0.14252  752 ALA A CA  
952  C C   . ALA A 157 ? 0.52783 0.63439 0.86086 -0.09158 -0.17780 0.14850  752 ALA A C   
953  O O   . ALA A 157 ? 0.53825 0.65402 0.87092 -0.11290 -0.17614 0.15299  752 ALA A O   
954  C CB  . ALA A 157 ? 0.51881 0.68483 0.89554 -0.06648 -0.17612 0.13836  752 ALA A CB  
955  N N   . THR A 158 ? 0.58627 0.65593 0.90003 -0.08501 -0.18766 0.14756  753 THR A N   
956  C CA  . THR A 158 ? 0.59990 0.64346 0.89793 -0.09925 -0.20274 0.15111  753 THR A CA  
957  C C   . THR A 158 ? 0.61115 0.65137 0.90850 -0.09832 -0.21793 0.15077  753 THR A C   
958  O O   . THR A 158 ? 0.60990 0.65606 0.90937 -0.08170 -0.21873 0.14729  753 THR A O   
959  C CB  . THR A 158 ? 0.61226 0.61738 0.89247 -0.09205 -0.20379 0.14471  753 THR A CB  
960  O OG1 . THR A 158 ? 0.61850 0.60836 0.89498 -0.07608 -0.19598 0.13598  753 THR A OG1 
961  C CG2 . THR A 158 ? 0.60670 0.61419 0.88714 -0.09016 -0.19554 0.14141  753 THR A CG2 
962  N N   . GLN A 159 ? 0.82155 0.84550 1.10969 -0.11503 -0.23233 0.15378  754 GLN A N   
963  C CA  . GLN A 159 ? 0.83985 0.85738 1.12483 -0.11579 -0.24989 0.15138  754 GLN A CA  
964  C C   . GLN A 159 ? 0.87516 0.84351 1.12996 -0.10979 -0.25715 0.14811  754 GLN A C   
965  O O   . GLN A 159 ? 0.89380 0.83723 1.13780 -0.11065 -0.25352 0.14658  754 GLN A O   
966  C CB  . GLN A 159 ? 0.82440 0.86152 1.12517 -0.14235 -0.25964 0.15305  754 GLN A CB  
967  C CG  . GLN A 159 ? 0.80472 0.90033 1.14711 -0.14575 -0.25692 0.14678  754 GLN A CG  
968  C CD  . GLN A 159 ? 0.78660 0.90954 1.14395 -0.15268 -0.23402 0.14918  754 GLN A CD  
969  O OE1 . GLN A 159 ? 0.79973 0.89368 1.13094 -0.15918 -0.22368 0.15723  754 GLN A OE1 
970  N NE2 . GLN A 159 ? 0.75110 0.92891 1.14966 -0.14914 -0.22806 0.13963  754 GLN A NE2 
971  N N   . ARG A 160 ? 0.72637 0.68079 0.96747 -0.10207 -0.26922 0.14412  755 ARG A N   
972  C CA  . ARG A 160 ? 0.76157 0.66939 0.97166 -0.09676 -0.27318 0.13808  755 ARG A CA  
973  C C   . ARG A 160 ? 0.79233 0.68528 0.99733 -0.11405 -0.29272 0.13831  755 ARG A C   
974  O O   . ARG A 160 ? 0.76748 0.68514 0.99007 -0.13038 -0.30466 0.14185  755 ARG A O   
975  C CB  . ARG A 160 ? 0.78909 0.67483 0.96999 -0.07904 -0.27467 0.13373  755 ARG A CB  
976  C CG  . ARG A 160 ? 0.77279 0.65730 0.94579 -0.06178 -0.25553 0.13362  755 ARG A CG  
977  C CD  . ARG A 160 ? 0.80727 0.64790 0.93018 -0.04483 -0.25868 0.13083  755 ARG A CD  
978  N NE  . ARG A 160 ? 0.83722 0.63109 0.92596 -0.04051 -0.22963 0.12390  755 ARG A NE  
979  C CZ  . ARG A 160 ? 0.88388 0.62848 0.93169 -0.04221 -0.22270 0.11560  755 ARG A CZ  
980  N NH1 . ARG A 160 ? 0.92247 0.65266 0.95167 -0.04502 -0.24629 0.11502  755 ARG A NH1 
981  N NH2 . ARG A 160 ? 0.87988 0.58943 0.90644 -0.04300 -0.18896 0.10472  755 ARG A NH2 
982  N N   . THR A 161 ? 0.91400 0.76607 1.09711 -0.11135 -0.29410 0.13120  756 THR A N   
983  C CA  . THR A 161 ? 0.94389 0.76891 1.11266 -0.12305 -0.31330 0.12859  756 THR A CA  
984  C C   . THR A 161 ? 0.99921 0.79194 1.13696 -0.11079 -0.31534 0.11832  756 THR A C   
985  O O   . THR A 161 ? 0.99882 0.76744 1.12235 -0.09877 -0.29829 0.10823  756 THR A O   
986  C CB  . THR A 161 ? 0.93001 0.72780 1.09519 -0.12800 -0.31627 0.12637  756 THR A CB  
987  O OG1 . THR A 161 ? 0.90444 0.72031 1.08256 -0.13902 -0.31353 0.13725  756 THR A OG1 
988  C CG2 . THR A 161 ? 0.95093 0.71361 1.09739 -0.14002 -0.33690 0.12364  756 THR A CG2 
989  N N   . GLU A 162 ? 1.04051 0.83206 1.16692 -0.11478 -0.33477 0.11803  757 GLU A N   
990  C CA  . GLU A 162 ? 1.09741 0.85001 1.18103 -0.10260 -0.33864 0.10899  757 GLU A CA  
991  C C   . GLU A 162 ? 1.12883 0.84464 1.19423 -0.11142 -0.35082 0.10009  757 GLU A C   
992  O O   . GLU A 162 ? 1.09469 0.81494 1.17899 -0.12807 -0.36342 0.10265  757 GLU A O   
993  C CB  . GLU A 162 ? 1.10101 0.86676 1.17455 -0.09490 -0.35873 0.10995  757 GLU A CB  
994  C CG  . GLU A 162 ? 1.05957 0.85543 1.14585 -0.08038 -0.35068 0.11600  757 GLU A CG  
995  C CD  . GLU A 162 ? 1.08594 0.84257 1.13097 -0.06249 -0.32413 0.11560  757 GLU A CD  
996  O OE1 . GLU A 162 ? 1.13502 0.84367 1.14239 -0.06221 -0.30957 0.10806  757 GLU A OE1 
997  O OE2 . GLU A 162 ? 1.05251 0.82510 1.10319 -0.05017 -0.31535 0.12063  757 GLU A OE2 
998  N N   . GLY A 163 ? 1.05535 0.72746 1.07715 -0.10066 -0.34459 0.08889  758 GLY A N   
999  C CA  . GLY A 163 ? 1.08116 0.71383 1.07806 -0.10547 -0.35568 0.07703  758 GLY A CA  
1000 C C   . GLY A 163 ? 1.04906 0.66584 1.06104 -0.10748 -0.34576 0.06649  758 GLY A C   
1001 O O   . GLY A 163 ? 1.06525 0.65030 1.06207 -0.11134 -0.35775 0.05579  758 GLY A O   
1002 N N   . VAL A 164 ? 1.31271 0.94964 1.35470 -0.10260 -0.32733 0.06640  759 VAL A N   
1003 C CA  . VAL A 164 ? 1.28242 0.90898 1.34528 -0.09977 -0.32636 0.05373  759 VAL A CA  
1004 C C   . VAL A 164 ? 1.27156 0.89348 1.34195 -0.08641 -0.29584 0.03122  759 VAL A C   
1005 O O   . VAL A 164 ? 1.23982 0.86466 1.34009 -0.07886 -0.29464 0.01513  759 VAL A O   
1006 C CB  . VAL A 164 ? 1.23751 0.88854 1.33038 -0.10595 -0.33725 0.06811  759 VAL A CB  
1007 C CG1 . VAL A 164 ? 1.24709 0.89711 1.33292 -0.12606 -0.36155 0.08488  759 VAL A CG1 
1008 C CG2 . VAL A 164 ? 1.20383 0.89359 1.31627 -0.10185 -0.31843 0.07711  759 VAL A CG2 
1009 N N   . SER A 165 ? 1.31451 0.92542 1.35627 -0.08349 -0.27137 0.02699  760 SER A N   
1010 C CA  . SER A 165 ? 1.29997 0.90581 1.34811 -0.07749 -0.23373 0.00381  760 SER A CA  
1011 C C   . SER A 165 ? 1.32631 0.90183 1.36770 -0.07547 -0.22433 -0.02615 760 SER A C   
1012 O O   . SER A 165 ? 1.36489 0.91225 1.37845 -0.07777 -0.24453 -0.02606 760 SER A O   
1013 C CB  . SER A 165 ? 1.34161 0.92999 1.34614 -0.07775 -0.20778 0.01081  760 SER A CB  
1014 O OG  . SER A 165 ? 1.40867 0.94542 1.35300 -0.07915 -0.19776 0.00119  760 SER A OG  
1015 N N   . THR A 166 ? 1.01954 0.69007 1.19410 -0.11050 -0.08658 0.25278  761 THR A N   
1016 C CA  . THR A 166 ? 1.08816 0.64109 1.18947 -0.09083 -0.08371 0.22584  761 THR A CA  
1017 C C   . THR A 166 ? 1.14040 0.72258 1.21624 -0.10379 -0.07033 0.24893  761 THR A C   
1018 O O   . THR A 166 ? 1.24979 0.73968 1.20306 -0.12984 -0.07938 0.23585  761 THR A O   
1019 C CB  . THR A 166 ? 0.99146 0.51386 1.17885 -0.01597 -0.06103 0.19303  761 THR A CB  
1020 O OG1 . THR A 166 ? 0.90104 0.53882 1.21552 0.02473  -0.03030 0.20747  761 THR A OG1 
1021 C CG2 . THR A 166 ? 0.95721 0.48448 1.15262 -0.00594 -0.06886 0.16225  761 THR A CG2 
1022 N N   . THR A 167 ? 0.97727 0.68553 1.16712 -0.08706 -0.04850 0.28320  762 THR A N   
1023 C CA  . THR A 167 ? 1.02601 0.77846 1.18782 -0.11173 -0.04094 0.31418  762 THR A CA  
1024 C C   . THR A 167 ? 1.12694 0.86491 1.15193 -0.19457 -0.07236 0.33359  762 THR A C   
1025 O O   . THR A 167 ? 1.22631 0.92020 1.14938 -0.22562 -0.07580 0.33547  762 THR A O   
1026 C CB  . THR A 167 ? 0.90175 0.80665 1.21749 -0.08959 -0.01865 0.35803  762 THR A CB  
1027 O OG1 . THR A 167 ? 0.91261 0.90744 1.20510 -0.15278 -0.03421 0.40708  762 THR A OG1 
1028 C CG2 . THR A 167 ? 0.77799 0.74016 1.23583 -0.04339 -0.00634 0.35126  762 THR A CG2 
1029 N N   . ASP A 168 ? 1.09058 0.86323 1.10779 -0.23306 -0.09557 0.34723  763 ASP A N   
1030 C CA  . ASP A 168 ? 1.16950 0.92846 1.05961 -0.31424 -0.12929 0.36822  763 ASP A CA  
1031 C C   . ASP A 168 ? 1.30058 0.89745 1.03106 -0.33764 -0.14985 0.32699  763 ASP A C   
1032 O O   . ASP A 168 ? 1.39862 0.95890 1.00358 -0.40267 -0.17420 0.33824  763 ASP A O   
1033 C CB  . ASP A 168 ? 1.11399 0.94209 1.03538 -0.34580 -0.14783 0.38988  763 ASP A CB  
1034 C CG  . ASP A 168 ? 1.00351 0.99342 1.08633 -0.32180 -0.12520 0.42674  763 ASP A CG  
1035 O OD1 . ASP A 168 ? 0.95790 1.01807 1.11730 -0.29709 -0.10307 0.44831  763 ASP A OD1 
1036 O OD2 . ASP A 168 ? 0.95107 0.99767 1.08225 -0.32331 -0.12892 0.42747  763 ASP A OD2 
1037 N N   . LEU A 169 ? 1.31939 0.81729 1.05501 -0.28746 -0.14189 0.28072  764 LEU A N   
1038 C CA  . LEU A 169 ? 1.41695 0.75719 1.01488 -0.30547 -0.16092 0.24190  764 LEU A CA  
1039 C C   . LEU A 169 ? 1.51278 0.77624 1.04597 -0.29148 -0.14122 0.22061  764 LEU A C   
1040 O O   . LEU A 169 ? 1.62957 0.77829 1.02432 -0.32901 -0.15754 0.19875  764 LEU A O   
1041 C CB  . LEU A 169 ? 1.36777 0.63415 1.00004 -0.26080 -0.16321 0.20599  764 LEU A CB  
1042 C CG  . LEU A 169 ? 1.29653 0.62144 0.99038 -0.26617 -0.17909 0.21560  764 LEU A CG  
1043 C CD1 . LEU A 169 ? 1.28735 0.54299 0.98590 -0.22361 -0.18039 0.16866  764 LEU A CD1 
1044 C CD2 . LEU A 169 ? 1.32490 0.70216 0.95332 -0.34029 -0.21084 0.24430  764 LEU A CD2 
1045 N N   . ILE A 170 ? 1.25400 0.57716 0.88354 -0.23913 -0.10541 0.22591  765 ILE A N   
1046 C CA  . ILE A 170 ? 1.32832 0.59732 0.89348 -0.23260 -0.08404 0.21117  765 ILE A CA  
1047 C C   . ILE A 170 ? 1.39368 0.70826 0.86780 -0.30673 -0.09888 0.24417  765 ILE A C   
1048 O O   . ILE A 170 ? 1.51982 0.74332 0.86127 -0.33888 -0.10053 0.22353  765 ILE A O   
1049 C CB  . ILE A 170 ? 1.23143 0.56288 0.92884 -0.15968 -0.04328 0.21399  765 ILE A CB  
1050 C CG1 . ILE A 170 ? 1.16750 0.45752 0.95606 -0.09197 -0.03365 0.18499  765 ILE A CG1 
1051 C CG2 . ILE A 170 ? 1.31532 0.58701 0.94153 -0.15108 -0.01782 0.19572  765 ILE A CG2 
1052 C CD1 . ILE A 170 ? 1.27377 0.40255 0.96068 -0.08953 -0.04536 0.13900  765 ILE A CD1 
1053 N N   . VAL A 171 ? 1.56903 1.02555 1.11474 -0.33580 -0.10924 0.29645  766 VAL A N   
1054 C CA  . VAL A 171 ? 1.62228 1.13109 1.08505 -0.41527 -0.13155 0.33649  766 VAL A CA  
1055 C C   . VAL A 171 ? 1.74379 1.13449 1.03943 -0.48068 -0.16820 0.31556  766 VAL A C   
1056 O O   . VAL A 171 ? 1.84832 1.19421 1.01458 -0.53740 -0.18035 0.31655  766 VAL A O   
1057 C CB  . VAL A 171 ? 1.48970 1.16624 1.07004 -0.43366 -0.13988 0.39761  766 VAL A CB  
1058 C CG1 . VAL A 171 ? 1.54469 1.29588 1.06743 -0.49725 -0.16573 0.41883  766 VAL A CG1 
1059 C CG2 . VAL A 171 ? 1.36395 1.15227 1.10899 -0.37148 -0.10398 0.41954  766 VAL A CG2 
1060 N N   . ARG A 172 ? 1.67534 1.01096 0.96907 -0.47544 -0.18715 0.29583  767 ARG A N   
1061 C CA  . ARG A 172 ? 1.77205 0.99005 0.91983 -0.52753 -0.22200 0.26946  767 ARG A CA  
1062 C C   . ARG A 172 ? 1.90222 0.95314 0.93440 -0.51650 -0.20908 0.21878  767 ARG A C   
1063 O O   . ARG A 172 ? 2.02607 0.99329 0.91141 -0.57692 -0.22897 0.20821  767 ARG A O   
1064 C CB  . ARG A 172 ? 1.70796 0.91855 0.89734 -0.51142 -0.24152 0.25426  767 ARG A CB  
1065 C CG  . ARG A 172 ? 1.81030 0.93295 0.87021 -0.55962 -0.28065 0.22865  767 ARG A CG  
1066 C CD  . ARG A 172 ? 1.77273 0.86189 0.86047 -0.53017 -0.29360 0.20601  767 ARG A CD  
1067 N NE  . ARG A 172 ? 1.65343 0.87692 0.85068 -0.52801 -0.29820 0.23723  767 ARG A NE  
1068 C CZ  . ARG A 172 ? 1.60723 0.83813 0.83914 -0.51248 -0.31042 0.22867  767 ARG A CZ  
1069 N NH1 . ARG A 172 ? 1.66055 0.78903 0.83658 -0.49468 -0.32160 0.19439  767 ARG A NH1 
1070 N NH2 . ARG A 172 ? 1.50529 0.85829 0.83532 -0.51135 -0.30819 0.25667  767 ARG A NH2 
1071 N N   . ILE A 173 ? 2.05716 1.06365 1.15978 -0.43682 -0.17424 0.18377  768 ILE A N   
1072 C CA  . ILE A 173 ? 2.15778 1.01835 1.17069 -0.41496 -0.15432 0.13244  768 ILE A CA  
1073 C C   . ILE A 173 ? 2.27059 1.14445 1.20676 -0.44562 -0.13740 0.13747  768 ILE A C   
1074 O O   . ILE A 173 ? 2.39613 1.14425 1.19839 -0.46861 -0.13412 0.09988  768 ILE A O   
1075 C CB  . ILE A 173 ? 2.06045 0.89253 1.18382 -0.32129 -0.11876 0.10307  768 ILE A CB  
1076 C CG1 . ILE A 173 ? 1.97407 0.79669 1.16244 -0.29677 -0.13880 0.09592  768 ILE A CG1 
1077 C CG2 . ILE A 173 ? 2.16243 0.84871 1.20329 -0.29450 -0.09312 0.05193  768 ILE A CG2 
1078 C CD1 . ILE A 173 ? 1.85578 0.72461 1.19597 -0.20889 -0.10833 0.08389  768 ILE A CD1 
1079 N N   . LEU A 174 ? 2.06859 1.09306 1.08533 -0.44947 -0.12674 0.18411  769 LEU A N   
1080 C CA  . LEU A 174 ? 2.15762 1.21089 1.09793 -0.49063 -0.11690 0.19819  769 LEU A CA  
1081 C C   . LEU A 174 ? 2.24664 1.27871 1.04227 -0.59094 -0.15992 0.21615  769 LEU A C   
1082 O O   . LEU A 174 ? 2.23024 1.35920 1.00489 -0.64421 -0.16954 0.26055  769 LEU A O   
1083 C CB  . LEU A 174 ? 2.03775 1.26466 1.11639 -0.46853 -0.09747 0.25061  769 LEU A CB  
1084 N N   . LYS A 175 ? 2.59078 1.49875 1.29026 -0.61912 -0.18851 0.18572  770 LYS A N   
1085 C CA  . LYS A 175 ? 2.68573 1.53818 1.22846 -0.71368 -0.22994 0.19193  770 LYS A CA  
1086 C C   . LYS A 175 ? 2.82262 1.47772 1.21500 -0.72340 -0.22826 0.12629  770 LYS A C   
1087 O O   . LYS A 175 ? 2.93273 1.51346 1.18621 -0.80026 -0.26457 0.12234  770 LYS A O   
1088 C CB  . LYS A 175 ? 2.60653 1.53830 1.21309 -0.73772 -0.27418 0.21107  770 LYS A CB  
1089 N N   . ASN A 176 ? 2.53055 1.09794 0.95153 -0.64744 -0.18720 0.07588  771 ASN A N   
1090 C CA  . ASN A 176 ? 2.67704 1.05827 0.96760 -0.64745 -0.17539 0.01139  771 ASN A CA  
1091 C C   . ASN A 176 ? 2.75156 1.10971 0.98292 -0.63684 -0.13115 -0.01535 771 ASN A C   
1092 O O   . ASN A 176 ? 2.86627 1.07495 1.00571 -0.62201 -0.10786 -0.07383 771 ASN A O   
1093 C CB  . ASN A 176 ? 2.61761 0.95203 1.00535 -0.55419 -0.15655 -0.02006 771 ASN A CB  
1094 N N   . TYR A 177 ? 2.92217 1.42814 1.20807 -0.64357 -0.11774 0.02771  772 TYR A N   
1095 C CA  . TYR A 177 ? 3.01279 1.51747 1.24451 -0.63924 -0.07680 0.00996  772 TYR A CA  
1096 C C   . TYR A 177 ? 3.03684 1.68135 1.24263 -0.70998 -0.09399 0.06790  772 TYR A C   
1097 O O   . TYR A 177 ? 2.89281 1.67858 1.19441 -0.72849 -0.12170 0.13037  772 TYR A O   
1098 C CB  . TYR A 177 ? 2.93288 1.47623 1.30581 -0.53789 -0.02438 -0.00114 772 TYR A CB  
1099 C CG  . TYR A 177 ? 2.87039 1.29382 1.29153 -0.46468 -0.00880 -0.04851 772 TYR A CG  
1100 C CD1 . TYR A 177 ? 2.67192 1.14479 1.23062 -0.42187 -0.02558 -0.02686 772 TYR A CD1 
1101 C CD2 . TYR A 177 ? 3.01498 1.27614 1.34478 -0.44003 0.02296  -0.11395 772 TYR A CD2 
1102 C CE1 . TYR A 177 ? 2.65839 1.02618 1.26221 -0.35940 -0.01527 -0.06485 772 TYR A CE1 
1103 C CE2 . TYR A 177 ? 2.97350 1.12822 1.35640 -0.37352 0.03555  -0.15121 772 TYR A CE2 
1104 C CZ  . TYR A 177 ? 2.79537 1.01844 1.32238 -0.33262 0.01430  -0.12236 772 TYR A CZ  
1105 O OH  . TYR A 177 ? 2.71911 0.96488 1.36913 -0.25384 0.02295  -0.13674 772 TYR A OH  
# 
