data_9HSF
# 
_entry.id   9HSF 
# 
_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   9HSF         pdb_00009hsf 10.2210/pdb9hsf/pdb 
WWPDB D_1292144097 ?            ?                   
# 
_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                        9HSF 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-carbamimidoylacetamide
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Cholinephosphate cytidylyltransferase' 20810.123 1  2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn 3-azanyl-3-azanylidene-propanamide      101.107   1  ?        ? ? ?                                            
3 water       nat water                                   18.015    48 ?        ? ? ?                                            
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYEDY
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYEDY
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 3-azanyl-3-azanylidene-propanamide A1IWT 
3 water                              HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
1 180 TYR n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   180 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'ctP, MAL13P1.86' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IWT non-polymer         . 3-azanyl-3-azanylidene-propanamide ? 'C3 H7 N3 O'     101.107 
ALA   'L-peptide linking' y ALANINE                            ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                           ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                         ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                    ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                           ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE                          ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                    ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                            ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                          ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                              ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                         ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                            ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                             ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                         ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                      ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                            ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                             ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE                          ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                         ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                           ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                             ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 ?   ?   ?   A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 729 ?   ?   ?   A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 773 GLU GLU A . n 
A 1 179 ASP 179 774 774 ASP ASP A . n 
A 1 180 TYR 180 775 775 TYR TYR A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IWT 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IWT 
_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 A1IWT 1  801 801 A1IWT LIG A . 
C 3 HOH   1  901 32  HOH   HOH A . 
C 3 HOH   2  902 6   HOH   HOH A . 
C 3 HOH   3  903 5   HOH   HOH A . 
C 3 HOH   4  904 80  HOH   HOH A . 
C 3 HOH   5  905 22  HOH   HOH A . 
C 3 HOH   6  906 18  HOH   HOH A . 
C 3 HOH   7  907 2   HOH   HOH A . 
C 3 HOH   8  908 36  HOH   HOH A . 
C 3 HOH   9  909 4   HOH   HOH A . 
C 3 HOH   10 910 8   HOH   HOH A . 
C 3 HOH   11 911 16  HOH   HOH A . 
C 3 HOH   12 912 90  HOH   HOH A . 
C 3 HOH   13 913 44  HOH   HOH A . 
C 3 HOH   14 914 34  HOH   HOH A . 
C 3 HOH   15 915 28  HOH   HOH A . 
C 3 HOH   16 916 35  HOH   HOH A . 
C 3 HOH   17 917 53  HOH   HOH A . 
C 3 HOH   18 918 23  HOH   HOH A . 
C 3 HOH   19 919 39  HOH   HOH A . 
C 3 HOH   20 920 30  HOH   HOH A . 
C 3 HOH   21 921 26  HOH   HOH A . 
C 3 HOH   22 922 25  HOH   HOH A . 
C 3 HOH   23 923 12  HOH   HOH A . 
C 3 HOH   24 924 10  HOH   HOH A . 
C 3 HOH   25 925 56  HOH   HOH A . 
C 3 HOH   26 926 85  HOH   HOH A . 
C 3 HOH   27 927 3   HOH   HOH A . 
C 3 HOH   28 928 11  HOH   HOH A . 
C 3 HOH   29 929 48  HOH   HOH A . 
C 3 HOH   30 930 50  HOH   HOH A . 
C 3 HOH   31 931 87  HOH   HOH A . 
C 3 HOH   32 932 19  HOH   HOH A . 
C 3 HOH   33 933 38  HOH   HOH A . 
C 3 HOH   34 934 70  HOH   HOH A . 
C 3 HOH   35 935 60  HOH   HOH A . 
C 3 HOH   36 936 57  HOH   HOH A . 
C 3 HOH   37 937 73  HOH   HOH A . 
C 3 HOH   38 938 77  HOH   HOH A . 
C 3 HOH   39 939 68  HOH   HOH A . 
C 3 HOH   40 940 29  HOH   HOH A . 
C 3 HOH   41 941 76  HOH   HOH A . 
C 3 HOH   42 942 91  HOH   HOH A . 
C 3 HOH   43 943 65  HOH   HOH A . 
C 3 HOH   44 944 74  HOH   HOH A . 
C 3 HOH   45 945 66  HOH   HOH A . 
C 3 HOH   46 946 71  HOH   HOH A . 
C 3 HOH   47 947 69  HOH   HOH A . 
C 3 HOH   48 948 92  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A ASN 657 ? CG  ? A ASN 80  CG  
6  1 Y 1 A ASN 657 ? OD1 ? A ASN 80  OD1 
7  1 Y 1 A ASN 657 ? ND2 ? A ASN 80  ND2 
8  1 Y 1 A LEU 661 ? CG  ? A LEU 84  CG  
9  1 Y 1 A LEU 661 ? CD1 ? A LEU 84  CD1 
10 1 Y 1 A LEU 661 ? CD2 ? A LEU 84  CD2 
11 1 Y 1 A GLU 685 ? CG  ? A GLU 108 CG  
12 1 Y 1 A GLU 685 ? CD  ? A GLU 108 CD  
13 1 Y 1 A GLU 685 ? OE1 ? A GLU 108 OE1 
14 1 Y 1 A GLU 685 ? OE2 ? A GLU 108 OE2 
15 1 Y 1 A HIS 709 ? CG  ? A HIS 132 CG  
16 1 Y 1 A HIS 709 ? ND1 ? A HIS 132 ND1 
17 1 Y 1 A HIS 709 ? CD2 ? A HIS 132 CD2 
18 1 Y 1 A HIS 709 ? CE1 ? A HIS 132 CE1 
19 1 Y 1 A HIS 709 ? NE2 ? A HIS 132 NE2 
20 1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
21 1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
22 1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
23 1 Y 1 A TYR 741 ? CG  ? A TYR 146 CG  
24 1 Y 1 A TYR 741 ? CD1 ? A TYR 146 CD1 
25 1 Y 1 A TYR 741 ? CD2 ? A TYR 146 CD2 
26 1 Y 1 A TYR 741 ? CE1 ? A TYR 146 CE1 
27 1 Y 1 A TYR 741 ? CE2 ? A TYR 146 CE2 
28 1 Y 1 A TYR 741 ? CZ  ? A TYR 146 CZ  
29 1 Y 1 A TYR 741 ? OH  ? A TYR 146 OH  
30 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
31 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
32 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
33 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
34 1 Y 1 A GLU 773 ? CG  ? A GLU 178 CG  
35 1 Y 1 A GLU 773 ? CD  ? A GLU 178 CD  
36 1 Y 1 A GLU 773 ? OE1 ? A GLU 178 OE1 
37 1 Y 1 A GLU 773 ? OE2 ? A GLU 178 OE2 
# 
loop_
_software.citation_id 
_software.classification 
_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 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement     ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.19.2_4158 1 
? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .           2 
# 
_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                     9HSF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.004 
_cell.length_a_esd                 ? 
_cell.length_b                     68.023 
_cell.length_b_esd                 ? 
_cell.length_c                     116.315 
_cell.length_c_esd                 ? 
_cell.volume                       395636.411 
_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                         9HSF 
_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                   9HSF 
_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             2.38 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.24 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% guanidine HCL 5-6-7% Glycerol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS 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         2021-09-13 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.965459 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID30B' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID30B 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          41.00 
_reflns.entry_id                                       9HSF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.90 
_reflns.d_resolution_low                               34.01 
_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                                     19598 
_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                           94.99 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.992 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.90 
_reflns_shell.d_res_low                                     1.93 
_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                             729 
_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                                  0.869 
_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                               50.79 
_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                                 9HSF 
_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                            2.10 
_refine.ls_d_res_low                             34.01 
_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                     19598 
_refine.ls_number_reflns_R_free                  989 
_refine.ls_number_reflns_R_work                  18609 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    87.53 
_refine.ls_percent_reflns_R_free                 5.05 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2374 
_refine.ls_R_factor_R_free                       0.2871 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2349 
_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                          1.35 
_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                 39.6493 
_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                            0.4336 
_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                       2.10 
_refine_hist.d_res_low                        34.01 
_refine_hist.number_atoms_solvent             48 
_refine_hist.number_atoms_total               1098 
_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        1043 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         7 
_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' ? 0.0073  ? 1069 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8433  ? 1450 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0517  ? 169  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0127  ? 181  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.8141 ? 384  ? 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' 2.10 2.21  . . 130 2743 90.29 . . . . 0.3737 . . . . . . . . . . . 0.4073 
'X-RAY DIFFRACTION' 2.21 2.35  . . 129 2416 79.56 . . . . 0.4043 . . . . . . . . . . . 0.3965 
'X-RAY DIFFRACTION' 2.35 2.53  . . 157 2751 90.82 . . . . 0.2882 . . . . . . . . . . . 0.3446 
'X-RAY DIFFRACTION' 2.53 2.78  . . 146 2676 88.13 . . . . 0.2923 . . . . . . . . . . . 0.3448 
'X-RAY DIFFRACTION' 2.79 3.19  . . 144 2701 89.55 . . . . 0.2583 . . . . . . . . . . . 0.2982 
'X-RAY DIFFRACTION' 3.19 4.02  . . 143 2687 87.75 . . . . 0.2083 . . . . . . . . . . . 0.2616 
'X-RAY DIFFRACTION' 4.02 34.01 . . 140 2635 86.77 . . . . 0.1780 . . . . . . . . . . . 0.2417 
# 
_struct.entry_id                     9HSF 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-carbamimidoylacetamide
;
_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        9HSF 
_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
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSF 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 180 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  775 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       775 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSF GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSF HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSF MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSF ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSF ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSF ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSF ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSF ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSF ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSF ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSF ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSF ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSF ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSF ?   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)' 2220  ? 
1 MORE         -7    ? 
1 'SSA (A^2)'  14280 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000   0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_455 -x-1,-y,z -1.0000000000 0.0000000000 0.0000000000 -50.0040000000 0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -4.91 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O GLU A 108 ? O GLU A 685 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSF 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    SER 
_pdbx_validate_symm_contact.auth_seq_id_1     688 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    OH 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    TYR 
_pdbx_validate_symm_contact.auth_seq_id_2     706 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   8_444 
_pdbx_validate_symm_contact.dist              2.17 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    LYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     663 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -125.77 
_pdbx_validate_torsion.psi             -56.87 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     746 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.093 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     921 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -18.0756907502 -7.77650979284 -23.1996660847 0.452283032705 ? 0.0298260830627  ? -0.0305930718867  
? 0.27545973438  ? 0.0481053044448  ? 0.224011682353 ? 4.80372356795 ? -0.783685075486   ? -2.16180198539  ? 4.17274648428 ? 
2.49776951493  ? 2.41500948721 ? 0.00236210176331 ? -0.182769854247   ? -0.116620450687 ? 0.23167278404   ? -0.0489033671712 ? 
0.100428536774  ? 0.448560548982  ? 0.219717782226  ? 0.082521075632  ? 
2 'X-RAY DIFFRACTION' ? refined -17.638321979  -10.5607339964 -31.7691891528 0.547382567576 ? 0.00521236738727 ? -0.0242827609283  
? 0.403859778627 ? 0.0441306879074  ? 0.361044586029 ? 3.29432146017 ? 0.678317694667    ? -3.5157178214   ? 5.72163967357 ? 
0.81959940532  ? 4.19554695787 ? 0.064629802257   ? 0.816261307155    ? 0.442536621761  ? -1.22732401416  ? 0.305489641489   ? 
-0.261707436024 ? -0.252713207229 ? -0.30941086616  ? -0.373556973658 ? 
3 'X-RAY DIFFRACTION' ? refined -25.0730432501 -15.3166177818 -19.9935225414 0.552394207972 ? 0.0166656583707  ? -0.0184008314803  
? 0.26486257035  ? 0.0229199663373  ? 0.301615876119 ? 3.72301912736 ? 0.000303239205813 ? -0.955537434449 ? 4.10730100525 ? 
0.412891198987 ? 2.19160057804 ? -0.325674097843  ? -0.101963360682   ? -0.398402816657 ? 0.201936526298  ? 0.0833180097522  ? 
0.0333318430914 ? 0.599098240059  ? 0.137500931114  ? 0.236518104647  ? 
4 'X-RAY DIFFRACTION' ? refined -11.0158319405 -20.0013394974 -27.4541038642 0.721685211364 ? 0.0255777670271  ? 0.0459693977588   
? 0.405861179092 ? -0.0116554579389 ? 0.358375956282 ? 8.70590724457 ? -0.904843882206   ? 3.40989670282   ? 3.65531162018 ? 
-3.32529168827 ? 4.89319883616 ? -0.054612761893  ? -0.00640793856724 ? -0.431905287269 ? 0.197726972778  ? -0.233189554681  ? 
0.189792292516  ? 0.826836013434  ? 0.0484860095178 ? 0.405176994716  ? 
5 'X-RAY DIFFRACTION' ? refined -16.6552010752 2.11447936161  -4.82826209544 0.682730519601 ? -0.094713507118  ? -0.00233752767641 
? 0.61581256171  ? 0.0472615838954  ? 0.415458069096 ? 2.62480917346 ? -1.16548206922    ? -2.32184942949  ? 1.5536238532  ? 
1.766938537    ? 2.579472975   ? 0.161413757428   ? -0.435288330237   ? -0.231245723413 ? 0.0986636746625 ? -0.338601377771  ? 
0.123923995878  ? -0.719821946833 ? 0.711262641863  ? 0.0519732383024 ? 
# 
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 617 ? A 26  A 642 ? ? 
;chain 'A' and (resid 617 through 642 )
;
2 'X-RAY DIFFRACTION' 2 A 27  A 643 ? A 37  A 653 ? ? 
;chain 'A' and (resid 643 through 653 )
;
3 'X-RAY DIFFRACTION' 3 A 38  A 654 ? A 85  A 701 ? ? 
;chain 'A' and (resid 654 through 701 )
;
4 'X-RAY DIFFRACTION' 4 A 86  A 702 ? A 108 A 752 ? ? 
;chain 'A' and (resid 702 through 752 )
;
5 'X-RAY DIFFRACTION' 5 A 109 A 753 ? A 131 A 775 ? ? 
;chain 'A' and (resid 753 through 775 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A LYS 616 ? A LYS 39  
40 1 Y 1 A ASP 729 ? A ASP 134 
41 1 Y 1 A ILE 730 ? A ILE 135 
42 1 Y 1 A PRO 731 ? A PRO 136 
43 1 Y 1 A TYR 732 ? A TYR 137 
44 1 Y 1 A ALA 733 ? A ALA 138 
45 1 Y 1 A ASN 734 ? A ASN 139 
46 1 Y 1 A ASN 735 ? A ASN 140 
47 1 Y 1 A GLN 736 ? A GLN 141 
48 1 Y 1 A LYS 737 ? A LYS 142 
49 1 Y 1 A GLU 738 ? A GLU 143 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1IWT C02  C N N 1   
A1IWT C04  C N N 2   
A1IWT C05  C N N 3   
A1IWT N01  N N N 4   
A1IWT N03  N N N 5   
A1IWT N07  N N N 6   
A1IWT O06  O N N 7   
A1IWT H041 H N N 8   
A1IWT H042 H N N 9   
A1IWT H012 H N N 10  
A1IWT H011 H N N 11  
A1IWT H031 H N N 12  
A1IWT H071 H N N 13  
A1IWT H072 H N N 14  
ALA   N    N N N 15  
ALA   CA   C N S 16  
ALA   C    C N N 17  
ALA   O    O N N 18  
ALA   CB   C N N 19  
ALA   OXT  O N N 20  
ALA   H    H N N 21  
ALA   H2   H N N 22  
ALA   HA   H N N 23  
ALA   HB1  H N N 24  
ALA   HB2  H N N 25  
ALA   HB3  H N N 26  
ALA   HXT  H N N 27  
ARG   N    N N N 28  
ARG   CA   C N S 29  
ARG   C    C N N 30  
ARG   O    O N N 31  
ARG   CB   C N N 32  
ARG   CG   C N N 33  
ARG   CD   C N N 34  
ARG   NE   N N N 35  
ARG   CZ   C N N 36  
ARG   NH1  N N N 37  
ARG   NH2  N N N 38  
ARG   OXT  O N N 39  
ARG   H    H N N 40  
ARG   H2   H N N 41  
ARG   HA   H N N 42  
ARG   HB2  H N N 43  
ARG   HB3  H N N 44  
ARG   HG2  H N N 45  
ARG   HG3  H N N 46  
ARG   HD2  H N N 47  
ARG   HD3  H N N 48  
ARG   HE   H N N 49  
ARG   HH11 H N N 50  
ARG   HH12 H N N 51  
ARG   HH21 H N N 52  
ARG   HH22 H N N 53  
ARG   HXT  H N N 54  
ASN   N    N N N 55  
ASN   CA   C N S 56  
ASN   C    C N N 57  
ASN   O    O N N 58  
ASN   CB   C N N 59  
ASN   CG   C N N 60  
ASN   OD1  O N N 61  
ASN   ND2  N N N 62  
ASN   OXT  O N N 63  
ASN   H    H N N 64  
ASN   H2   H N N 65  
ASN   HA   H N N 66  
ASN   HB2  H N N 67  
ASN   HB3  H N N 68  
ASN   HD21 H N N 69  
ASN   HD22 H N N 70  
ASN   HXT  H N N 71  
ASP   N    N N N 72  
ASP   CA   C N S 73  
ASP   C    C N N 74  
ASP   O    O N N 75  
ASP   CB   C N N 76  
ASP   CG   C N N 77  
ASP   OD1  O N N 78  
ASP   OD2  O N N 79  
ASP   OXT  O N N 80  
ASP   H    H N N 81  
ASP   H2   H N N 82  
ASP   HA   H N N 83  
ASP   HB2  H N N 84  
ASP   HB3  H N N 85  
ASP   HD2  H N N 86  
ASP   HXT  H N N 87  
CYS   N    N N N 88  
CYS   CA   C N R 89  
CYS   C    C N N 90  
CYS   O    O N N 91  
CYS   CB   C N N 92  
CYS   SG   S N N 93  
CYS   OXT  O N N 94  
CYS   H    H N N 95  
CYS   H2   H N N 96  
CYS   HA   H N N 97  
CYS   HB2  H N N 98  
CYS   HB3  H N N 99  
CYS   HG   H N N 100 
CYS   HXT  H N N 101 
GLN   N    N N N 102 
GLN   CA   C N S 103 
GLN   C    C N N 104 
GLN   O    O N N 105 
GLN   CB   C N N 106 
GLN   CG   C N N 107 
GLN   CD   C N N 108 
GLN   OE1  O N N 109 
GLN   NE2  N N N 110 
GLN   OXT  O N N 111 
GLN   H    H N N 112 
GLN   H2   H N N 113 
GLN   HA   H N N 114 
GLN   HB2  H N N 115 
GLN   HB3  H N N 116 
GLN   HG2  H N N 117 
GLN   HG3  H N N 118 
GLN   HE21 H N N 119 
GLN   HE22 H N N 120 
GLN   HXT  H N N 121 
GLU   N    N N N 122 
GLU   CA   C N S 123 
GLU   C    C N N 124 
GLU   O    O N N 125 
GLU   CB   C N N 126 
GLU   CG   C N N 127 
GLU   CD   C N N 128 
GLU   OE1  O N N 129 
GLU   OE2  O N N 130 
GLU   OXT  O N N 131 
GLU   H    H N N 132 
GLU   H2   H N N 133 
GLU   HA   H N N 134 
GLU   HB2  H N N 135 
GLU   HB3  H N N 136 
GLU   HG2  H N N 137 
GLU   HG3  H N N 138 
GLU   HE2  H N N 139 
GLU   HXT  H N N 140 
GLY   N    N N N 141 
GLY   CA   C N N 142 
GLY   C    C N N 143 
GLY   O    O N N 144 
GLY   OXT  O N N 145 
GLY   H    H N N 146 
GLY   H2   H N N 147 
GLY   HA2  H N N 148 
GLY   HA3  H N N 149 
GLY   HXT  H N N 150 
HIS   N    N N N 151 
HIS   CA   C N S 152 
HIS   C    C N N 153 
HIS   O    O N N 154 
HIS   CB   C N N 155 
HIS   CG   C Y N 156 
HIS   ND1  N Y N 157 
HIS   CD2  C Y N 158 
HIS   CE1  C Y N 159 
HIS   NE2  N Y N 160 
HIS   OXT  O N N 161 
HIS   H    H N N 162 
HIS   H2   H N N 163 
HIS   HA   H N N 164 
HIS   HB2  H N N 165 
HIS   HB3  H N N 166 
HIS   HD1  H N N 167 
HIS   HD2  H N N 168 
HIS   HE1  H N N 169 
HIS   HE2  H N N 170 
HIS   HXT  H N N 171 
HOH   O    O N N 172 
HOH   H1   H N N 173 
HOH   H2   H N N 174 
ILE   N    N N N 175 
ILE   CA   C N S 176 
ILE   C    C N N 177 
ILE   O    O N N 178 
ILE   CB   C N S 179 
ILE   CG1  C N N 180 
ILE   CG2  C N N 181 
ILE   CD1  C N N 182 
ILE   OXT  O N N 183 
ILE   H    H N N 184 
ILE   H2   H N N 185 
ILE   HA   H N N 186 
ILE   HB   H N N 187 
ILE   HG12 H N N 188 
ILE   HG13 H N N 189 
ILE   HG21 H N N 190 
ILE   HG22 H N N 191 
ILE   HG23 H N N 192 
ILE   HD11 H N N 193 
ILE   HD12 H N N 194 
ILE   HD13 H N N 195 
ILE   HXT  H N N 196 
LEU   N    N N N 197 
LEU   CA   C N S 198 
LEU   C    C N N 199 
LEU   O    O N N 200 
LEU   CB   C N N 201 
LEU   CG   C N N 202 
LEU   CD1  C N N 203 
LEU   CD2  C N N 204 
LEU   OXT  O N N 205 
LEU   H    H N N 206 
LEU   H2   H N N 207 
LEU   HA   H N N 208 
LEU   HB2  H N N 209 
LEU   HB3  H N N 210 
LEU   HG   H N N 211 
LEU   HD11 H N N 212 
LEU   HD12 H N N 213 
LEU   HD13 H N N 214 
LEU   HD21 H N N 215 
LEU   HD22 H N N 216 
LEU   HD23 H N N 217 
LEU   HXT  H N N 218 
LYS   N    N N N 219 
LYS   CA   C N S 220 
LYS   C    C N N 221 
LYS   O    O N N 222 
LYS   CB   C N N 223 
LYS   CG   C N N 224 
LYS   CD   C N N 225 
LYS   CE   C N N 226 
LYS   NZ   N N N 227 
LYS   OXT  O N N 228 
LYS   H    H N N 229 
LYS   H2   H N N 230 
LYS   HA   H N N 231 
LYS   HB2  H N N 232 
LYS   HB3  H N N 233 
LYS   HG2  H N N 234 
LYS   HG3  H N N 235 
LYS   HD2  H N N 236 
LYS   HD3  H N N 237 
LYS   HE2  H N N 238 
LYS   HE3  H N N 239 
LYS   HZ1  H N N 240 
LYS   HZ2  H N N 241 
LYS   HZ3  H N N 242 
LYS   HXT  H N N 243 
MET   N    N N N 244 
MET   CA   C N S 245 
MET   C    C N N 246 
MET   O    O N N 247 
MET   CB   C N N 248 
MET   CG   C N N 249 
MET   SD   S N N 250 
MET   CE   C N N 251 
MET   OXT  O N N 252 
MET   H    H N N 253 
MET   H2   H N N 254 
MET   HA   H N N 255 
MET   HB2  H N N 256 
MET   HB3  H N N 257 
MET   HG2  H N N 258 
MET   HG3  H N N 259 
MET   HE1  H N N 260 
MET   HE2  H N N 261 
MET   HE3  H N N 262 
MET   HXT  H N N 263 
PHE   N    N N N 264 
PHE   CA   C N S 265 
PHE   C    C N N 266 
PHE   O    O N N 267 
PHE   CB   C N N 268 
PHE   CG   C Y N 269 
PHE   CD1  C Y N 270 
PHE   CD2  C Y N 271 
PHE   CE1  C Y N 272 
PHE   CE2  C Y N 273 
PHE   CZ   C Y N 274 
PHE   OXT  O N N 275 
PHE   H    H N N 276 
PHE   H2   H N N 277 
PHE   HA   H N N 278 
PHE   HB2  H N N 279 
PHE   HB3  H N N 280 
PHE   HD1  H N N 281 
PHE   HD2  H N N 282 
PHE   HE1  H N N 283 
PHE   HE2  H N N 284 
PHE   HZ   H N N 285 
PHE   HXT  H N N 286 
PRO   N    N N N 287 
PRO   CA   C N S 288 
PRO   C    C N N 289 
PRO   O    O N N 290 
PRO   CB   C N N 291 
PRO   CG   C N N 292 
PRO   CD   C N N 293 
PRO   OXT  O N N 294 
PRO   H    H N N 295 
PRO   HA   H N N 296 
PRO   HB2  H N N 297 
PRO   HB3  H N N 298 
PRO   HG2  H N N 299 
PRO   HG3  H N N 300 
PRO   HD2  H N N 301 
PRO   HD3  H N N 302 
PRO   HXT  H N N 303 
SER   N    N N N 304 
SER   CA   C N S 305 
SER   C    C N N 306 
SER   O    O N N 307 
SER   CB   C N N 308 
SER   OG   O N N 309 
SER   OXT  O N N 310 
SER   H    H N N 311 
SER   H2   H N N 312 
SER   HA   H N N 313 
SER   HB2  H N N 314 
SER   HB3  H N N 315 
SER   HG   H N N 316 
SER   HXT  H N N 317 
THR   N    N N N 318 
THR   CA   C N S 319 
THR   C    C N N 320 
THR   O    O N N 321 
THR   CB   C N R 322 
THR   OG1  O N N 323 
THR   CG2  C N N 324 
THR   OXT  O N N 325 
THR   H    H N N 326 
THR   H2   H N N 327 
THR   HA   H N N 328 
THR   HB   H N N 329 
THR   HG1  H N N 330 
THR   HG21 H N N 331 
THR   HG22 H N N 332 
THR   HG23 H N N 333 
THR   HXT  H N N 334 
TRP   N    N N N 335 
TRP   CA   C N S 336 
TRP   C    C N N 337 
TRP   O    O N N 338 
TRP   CB   C N N 339 
TRP   CG   C Y N 340 
TRP   CD1  C Y N 341 
TRP   CD2  C Y N 342 
TRP   NE1  N Y N 343 
TRP   CE2  C Y N 344 
TRP   CE3  C Y N 345 
TRP   CZ2  C Y N 346 
TRP   CZ3  C Y N 347 
TRP   CH2  C Y N 348 
TRP   OXT  O N N 349 
TRP   H    H N N 350 
TRP   H2   H N N 351 
TRP   HA   H N N 352 
TRP   HB2  H N N 353 
TRP   HB3  H N N 354 
TRP   HD1  H N N 355 
TRP   HE1  H N N 356 
TRP   HE3  H N N 357 
TRP   HZ2  H N N 358 
TRP   HZ3  H N N 359 
TRP   HH2  H N N 360 
TRP   HXT  H N N 361 
TYR   N    N N N 362 
TYR   CA   C N S 363 
TYR   C    C N N 364 
TYR   O    O N N 365 
TYR   CB   C N N 366 
TYR   CG   C Y N 367 
TYR   CD1  C Y N 368 
TYR   CD2  C Y N 369 
TYR   CE1  C Y N 370 
TYR   CE2  C Y N 371 
TYR   CZ   C Y N 372 
TYR   OH   O N N 373 
TYR   OXT  O N N 374 
TYR   H    H N N 375 
TYR   H2   H N N 376 
TYR   HA   H N N 377 
TYR   HB2  H N N 378 
TYR   HB3  H N N 379 
TYR   HD1  H N N 380 
TYR   HD2  H N N 381 
TYR   HE1  H N N 382 
TYR   HE2  H N N 383 
TYR   HH   H N N 384 
TYR   HXT  H N N 385 
VAL   N    N N N 386 
VAL   CA   C N S 387 
VAL   C    C N N 388 
VAL   O    O N N 389 
VAL   CB   C N N 390 
VAL   CG1  C N N 391 
VAL   CG2  C N N 392 
VAL   OXT  O N N 393 
VAL   H    H N N 394 
VAL   H2   H N N 395 
VAL   HA   H N N 396 
VAL   HB   H N N 397 
VAL   HG11 H N N 398 
VAL   HG12 H N N 399 
VAL   HG13 H N N 400 
VAL   HG21 H N N 401 
VAL   HG22 H N N 402 
VAL   HG23 H N N 403 
VAL   HXT  H N N 404 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1IWT C02 N01  sing N N 1   
A1IWT N03 C02  doub N N 2   
A1IWT C04 C02  sing N N 3   
A1IWT C05 C04  sing N N 4   
A1IWT O06 C05  doub N N 5   
A1IWT N07 C05  sing N N 6   
A1IWT C04 H041 sing N N 7   
A1IWT C04 H042 sing N N 8   
A1IWT N01 H012 sing N N 9   
A1IWT N01 H011 sing N N 10  
A1IWT N03 H031 sing N N 11  
A1IWT N07 H071 sing N N 12  
A1IWT N07 H072 sing N N 13  
ALA   N   CA   sing N N 14  
ALA   N   H    sing N N 15  
ALA   N   H2   sing N N 16  
ALA   CA  C    sing N N 17  
ALA   CA  CB   sing N N 18  
ALA   CA  HA   sing N N 19  
ALA   C   O    doub N N 20  
ALA   C   OXT  sing N N 21  
ALA   CB  HB1  sing N N 22  
ALA   CB  HB2  sing N N 23  
ALA   CB  HB3  sing N N 24  
ALA   OXT HXT  sing N N 25  
ARG   N   CA   sing N N 26  
ARG   N   H    sing N N 27  
ARG   N   H2   sing N N 28  
ARG   CA  C    sing N N 29  
ARG   CA  CB   sing N N 30  
ARG   CA  HA   sing N N 31  
ARG   C   O    doub N N 32  
ARG   C   OXT  sing N N 33  
ARG   CB  CG   sing N N 34  
ARG   CB  HB2  sing N N 35  
ARG   CB  HB3  sing N N 36  
ARG   CG  CD   sing N N 37  
ARG   CG  HG2  sing N N 38  
ARG   CG  HG3  sing N N 39  
ARG   CD  NE   sing N N 40  
ARG   CD  HD2  sing N N 41  
ARG   CD  HD3  sing N N 42  
ARG   NE  CZ   sing N N 43  
ARG   NE  HE   sing N N 44  
ARG   CZ  NH1  sing N N 45  
ARG   CZ  NH2  doub N N 46  
ARG   NH1 HH11 sing N N 47  
ARG   NH1 HH12 sing N N 48  
ARG   NH2 HH21 sing N N 49  
ARG   NH2 HH22 sing N N 50  
ARG   OXT HXT  sing N N 51  
ASN   N   CA   sing N N 52  
ASN   N   H    sing N N 53  
ASN   N   H2   sing N N 54  
ASN   CA  C    sing N N 55  
ASN   CA  CB   sing N N 56  
ASN   CA  HA   sing N N 57  
ASN   C   O    doub N N 58  
ASN   C   OXT  sing N N 59  
ASN   CB  CG   sing N N 60  
ASN   CB  HB2  sing N N 61  
ASN   CB  HB3  sing N N 62  
ASN   CG  OD1  doub N N 63  
ASN   CG  ND2  sing N N 64  
ASN   ND2 HD21 sing N N 65  
ASN   ND2 HD22 sing N N 66  
ASN   OXT HXT  sing N N 67  
ASP   N   CA   sing N N 68  
ASP   N   H    sing N N 69  
ASP   N   H2   sing N N 70  
ASP   CA  C    sing N N 71  
ASP   CA  CB   sing N N 72  
ASP   CA  HA   sing N N 73  
ASP   C   O    doub N N 74  
ASP   C   OXT  sing N N 75  
ASP   CB  CG   sing N N 76  
ASP   CB  HB2  sing N N 77  
ASP   CB  HB3  sing N N 78  
ASP   CG  OD1  doub N N 79  
ASP   CG  OD2  sing N N 80  
ASP   OD2 HD2  sing N N 81  
ASP   OXT HXT  sing N N 82  
CYS   N   CA   sing N N 83  
CYS   N   H    sing N N 84  
CYS   N   H2   sing N N 85  
CYS   CA  C    sing N N 86  
CYS   CA  CB   sing N N 87  
CYS   CA  HA   sing N N 88  
CYS   C   O    doub N N 89  
CYS   C   OXT  sing N N 90  
CYS   CB  SG   sing N N 91  
CYS   CB  HB2  sing N N 92  
CYS   CB  HB3  sing N N 93  
CYS   SG  HG   sing N N 94  
CYS   OXT HXT  sing N N 95  
GLN   N   CA   sing N N 96  
GLN   N   H    sing N N 97  
GLN   N   H2   sing N N 98  
GLN   CA  C    sing N N 99  
GLN   CA  CB   sing N N 100 
GLN   CA  HA   sing N N 101 
GLN   C   O    doub N N 102 
GLN   C   OXT  sing N N 103 
GLN   CB  CG   sing N N 104 
GLN   CB  HB2  sing N N 105 
GLN   CB  HB3  sing N N 106 
GLN   CG  CD   sing N N 107 
GLN   CG  HG2  sing N N 108 
GLN   CG  HG3  sing N N 109 
GLN   CD  OE1  doub N N 110 
GLN   CD  NE2  sing N N 111 
GLN   NE2 HE21 sing N N 112 
GLN   NE2 HE22 sing N N 113 
GLN   OXT HXT  sing N N 114 
GLU   N   CA   sing N N 115 
GLU   N   H    sing N N 116 
GLU   N   H2   sing N N 117 
GLU   CA  C    sing N N 118 
GLU   CA  CB   sing N N 119 
GLU   CA  HA   sing N N 120 
GLU   C   O    doub N N 121 
GLU   C   OXT  sing N N 122 
GLU   CB  CG   sing N N 123 
GLU   CB  HB2  sing N N 124 
GLU   CB  HB3  sing N N 125 
GLU   CG  CD   sing N N 126 
GLU   CG  HG2  sing N N 127 
GLU   CG  HG3  sing N N 128 
GLU   CD  OE1  doub N N 129 
GLU   CD  OE2  sing N N 130 
GLU   OE2 HE2  sing N N 131 
GLU   OXT HXT  sing N N 132 
GLY   N   CA   sing N N 133 
GLY   N   H    sing N N 134 
GLY   N   H2   sing N N 135 
GLY   CA  C    sing N N 136 
GLY   CA  HA2  sing N N 137 
GLY   CA  HA3  sing N N 138 
GLY   C   O    doub N N 139 
GLY   C   OXT  sing N N 140 
GLY   OXT HXT  sing N N 141 
HIS   N   CA   sing N N 142 
HIS   N   H    sing N N 143 
HIS   N   H2   sing N N 144 
HIS   CA  C    sing N N 145 
HIS   CA  CB   sing N N 146 
HIS   CA  HA   sing N N 147 
HIS   C   O    doub N N 148 
HIS   C   OXT  sing N N 149 
HIS   CB  CG   sing N N 150 
HIS   CB  HB2  sing N N 151 
HIS   CB  HB3  sing N N 152 
HIS   CG  ND1  sing Y N 153 
HIS   CG  CD2  doub Y N 154 
HIS   ND1 CE1  doub Y N 155 
HIS   ND1 HD1  sing N N 156 
HIS   CD2 NE2  sing Y N 157 
HIS   CD2 HD2  sing N N 158 
HIS   CE1 NE2  sing Y N 159 
HIS   CE1 HE1  sing N N 160 
HIS   NE2 HE2  sing N N 161 
HIS   OXT HXT  sing N N 162 
HOH   O   H1   sing N N 163 
HOH   O   H2   sing N N 164 
ILE   N   CA   sing N N 165 
ILE   N   H    sing N N 166 
ILE   N   H2   sing N N 167 
ILE   CA  C    sing N N 168 
ILE   CA  CB   sing N N 169 
ILE   CA  HA   sing N N 170 
ILE   C   O    doub N N 171 
ILE   C   OXT  sing N N 172 
ILE   CB  CG1  sing N N 173 
ILE   CB  CG2  sing N N 174 
ILE   CB  HB   sing N N 175 
ILE   CG1 CD1  sing N N 176 
ILE   CG1 HG12 sing N N 177 
ILE   CG1 HG13 sing N N 178 
ILE   CG2 HG21 sing N N 179 
ILE   CG2 HG22 sing N N 180 
ILE   CG2 HG23 sing N N 181 
ILE   CD1 HD11 sing N N 182 
ILE   CD1 HD12 sing N N 183 
ILE   CD1 HD13 sing N N 184 
ILE   OXT HXT  sing N N 185 
LEU   N   CA   sing N N 186 
LEU   N   H    sing N N 187 
LEU   N   H2   sing N N 188 
LEU   CA  C    sing N N 189 
LEU   CA  CB   sing N N 190 
LEU   CA  HA   sing N N 191 
LEU   C   O    doub N N 192 
LEU   C   OXT  sing N N 193 
LEU   CB  CG   sing N N 194 
LEU   CB  HB2  sing N N 195 
LEU   CB  HB3  sing N N 196 
LEU   CG  CD1  sing N N 197 
LEU   CG  CD2  sing N N 198 
LEU   CG  HG   sing N N 199 
LEU   CD1 HD11 sing N N 200 
LEU   CD1 HD12 sing N N 201 
LEU   CD1 HD13 sing N N 202 
LEU   CD2 HD21 sing N N 203 
LEU   CD2 HD22 sing N N 204 
LEU   CD2 HD23 sing N N 205 
LEU   OXT HXT  sing N N 206 
LYS   N   CA   sing N N 207 
LYS   N   H    sing N N 208 
LYS   N   H2   sing N N 209 
LYS   CA  C    sing N N 210 
LYS   CA  CB   sing N N 211 
LYS   CA  HA   sing N N 212 
LYS   C   O    doub N N 213 
LYS   C   OXT  sing N N 214 
LYS   CB  CG   sing N N 215 
LYS   CB  HB2  sing N N 216 
LYS   CB  HB3  sing N N 217 
LYS   CG  CD   sing N N 218 
LYS   CG  HG2  sing N N 219 
LYS   CG  HG3  sing N N 220 
LYS   CD  CE   sing N N 221 
LYS   CD  HD2  sing N N 222 
LYS   CD  HD3  sing N N 223 
LYS   CE  NZ   sing N N 224 
LYS   CE  HE2  sing N N 225 
LYS   CE  HE3  sing N N 226 
LYS   NZ  HZ1  sing N N 227 
LYS   NZ  HZ2  sing N N 228 
LYS   NZ  HZ3  sing N N 229 
LYS   OXT HXT  sing N N 230 
MET   N   CA   sing N N 231 
MET   N   H    sing N N 232 
MET   N   H2   sing N N 233 
MET   CA  C    sing N N 234 
MET   CA  CB   sing N N 235 
MET   CA  HA   sing N N 236 
MET   C   O    doub N N 237 
MET   C   OXT  sing N N 238 
MET   CB  CG   sing N N 239 
MET   CB  HB2  sing N N 240 
MET   CB  HB3  sing N N 241 
MET   CG  SD   sing N N 242 
MET   CG  HG2  sing N N 243 
MET   CG  HG3  sing N N 244 
MET   SD  CE   sing N N 245 
MET   CE  HE1  sing N N 246 
MET   CE  HE2  sing N N 247 
MET   CE  HE3  sing N N 248 
MET   OXT HXT  sing N N 249 
PHE   N   CA   sing N N 250 
PHE   N   H    sing N N 251 
PHE   N   H2   sing N N 252 
PHE   CA  C    sing N N 253 
PHE   CA  CB   sing N N 254 
PHE   CA  HA   sing N N 255 
PHE   C   O    doub N N 256 
PHE   C   OXT  sing N N 257 
PHE   CB  CG   sing N N 258 
PHE   CB  HB2  sing N N 259 
PHE   CB  HB3  sing N N 260 
PHE   CG  CD1  doub Y N 261 
PHE   CG  CD2  sing Y N 262 
PHE   CD1 CE1  sing Y N 263 
PHE   CD1 HD1  sing N N 264 
PHE   CD2 CE2  doub Y N 265 
PHE   CD2 HD2  sing N N 266 
PHE   CE1 CZ   doub Y N 267 
PHE   CE1 HE1  sing N N 268 
PHE   CE2 CZ   sing Y N 269 
PHE   CE2 HE2  sing N N 270 
PHE   CZ  HZ   sing N N 271 
PHE   OXT HXT  sing N N 272 
PRO   N   CA   sing N N 273 
PRO   N   CD   sing N N 274 
PRO   N   H    sing N N 275 
PRO   CA  C    sing N N 276 
PRO   CA  CB   sing N N 277 
PRO   CA  HA   sing N N 278 
PRO   C   O    doub N N 279 
PRO   C   OXT  sing N N 280 
PRO   CB  CG   sing N N 281 
PRO   CB  HB2  sing N N 282 
PRO   CB  HB3  sing N N 283 
PRO   CG  CD   sing N N 284 
PRO   CG  HG2  sing N N 285 
PRO   CG  HG3  sing N N 286 
PRO   CD  HD2  sing N N 287 
PRO   CD  HD3  sing N N 288 
PRO   OXT HXT  sing N N 289 
SER   N   CA   sing N N 290 
SER   N   H    sing N N 291 
SER   N   H2   sing N N 292 
SER   CA  C    sing N N 293 
SER   CA  CB   sing N N 294 
SER   CA  HA   sing N N 295 
SER   C   O    doub N N 296 
SER   C   OXT  sing N N 297 
SER   CB  OG   sing N N 298 
SER   CB  HB2  sing N N 299 
SER   CB  HB3  sing N N 300 
SER   OG  HG   sing N N 301 
SER   OXT HXT  sing N N 302 
THR   N   CA   sing N N 303 
THR   N   H    sing N N 304 
THR   N   H2   sing N N 305 
THR   CA  C    sing N N 306 
THR   CA  CB   sing N N 307 
THR   CA  HA   sing N N 308 
THR   C   O    doub N N 309 
THR   C   OXT  sing N N 310 
THR   CB  OG1  sing N N 311 
THR   CB  CG2  sing N N 312 
THR   CB  HB   sing N N 313 
THR   OG1 HG1  sing N N 314 
THR   CG2 HG21 sing N N 315 
THR   CG2 HG22 sing N N 316 
THR   CG2 HG23 sing N N 317 
THR   OXT HXT  sing N N 318 
TRP   N   CA   sing N N 319 
TRP   N   H    sing N N 320 
TRP   N   H2   sing N N 321 
TRP   CA  C    sing N N 322 
TRP   CA  CB   sing N N 323 
TRP   CA  HA   sing N N 324 
TRP   C   O    doub N N 325 
TRP   C   OXT  sing N N 326 
TRP   CB  CG   sing N N 327 
TRP   CB  HB2  sing N N 328 
TRP   CB  HB3  sing N N 329 
TRP   CG  CD1  doub Y N 330 
TRP   CG  CD2  sing Y N 331 
TRP   CD1 NE1  sing Y N 332 
TRP   CD1 HD1  sing N N 333 
TRP   CD2 CE2  doub Y N 334 
TRP   CD2 CE3  sing Y N 335 
TRP   NE1 CE2  sing Y N 336 
TRP   NE1 HE1  sing N N 337 
TRP   CE2 CZ2  sing Y N 338 
TRP   CE3 CZ3  doub Y N 339 
TRP   CE3 HE3  sing N N 340 
TRP   CZ2 CH2  doub Y N 341 
TRP   CZ2 HZ2  sing N N 342 
TRP   CZ3 CH2  sing Y N 343 
TRP   CZ3 HZ3  sing N N 344 
TRP   CH2 HH2  sing N N 345 
TRP   OXT HXT  sing N N 346 
TYR   N   CA   sing N N 347 
TYR   N   H    sing N N 348 
TYR   N   H2   sing N N 349 
TYR   CA  C    sing N N 350 
TYR   CA  CB   sing N N 351 
TYR   CA  HA   sing N N 352 
TYR   C   O    doub N N 353 
TYR   C   OXT  sing N N 354 
TYR   CB  CG   sing N N 355 
TYR   CB  HB2  sing N N 356 
TYR   CB  HB3  sing N N 357 
TYR   CG  CD1  doub Y N 358 
TYR   CG  CD2  sing Y N 359 
TYR   CD1 CE1  sing Y N 360 
TYR   CD1 HD1  sing N N 361 
TYR   CD2 CE2  doub Y N 362 
TYR   CD2 HD2  sing N N 363 
TYR   CE1 CZ   doub Y N 364 
TYR   CE1 HE1  sing N N 365 
TYR   CE2 CZ   sing Y N 366 
TYR   CE2 HE2  sing N N 367 
TYR   CZ  OH   sing N N 368 
TYR   OH  HH   sing N N 369 
TYR   OXT HXT  sing N N 370 
VAL   N   CA   sing N N 371 
VAL   N   H    sing N N 372 
VAL   N   H2   sing N N 373 
VAL   CA  C    sing N N 374 
VAL   CA  CB   sing N N 375 
VAL   CA  HA   sing N N 376 
VAL   C   O    doub N N 377 
VAL   C   OXT  sing N N 378 
VAL   CB  CG1  sing N N 379 
VAL   CB  CG2  sing N N 380 
VAL   CB  HB   sing N N 381 
VAL   CG1 HG11 sing N N 382 
VAL   CG1 HG12 sing N N 383 
VAL   CG1 HG13 sing N N 384 
VAL   CG2 HG21 sing N N 385 
VAL   CG2 HG22 sing N N 386 
VAL   CG2 HG23 sing N N 387 
VAL   OXT HXT  sing N N 388 
# 
_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                    9HSF 
_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]   0.019998 
_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]   0.014701 
_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]   0.008597 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . ASN   A 1 40  ? -15.39363 -11.87149 -42.16506 1.000 68.97060 ? 617 ASN   A N    1 
ATOM   2    C CA   . ASN   A 1 40  ? -16.09893 -11.69170 -40.90960 1.000 69.66991 ? 617 ASN   A CA   1 
ATOM   3    C C    . ASN   A 1 40  ? -15.74978 -12.78263 -39.89582 1.000 69.96533 ? 617 ASN   A C    1 
ATOM   4    O O    . ASN   A 1 40  ? -15.74905 -13.97929 -40.21099 1.000 70.66417 ? 617 ASN   A O    1 
ATOM   5    C CB   . ASN   A 1 40  ? -17.61256 -11.66745 -41.12098 1.000 69.00801 ? 617 ASN   A CB   1 
ATOM   6    C CG   . ASN   A 1 40  ? -18.36129 -11.34269 -39.83375 1.000 69.47719 ? 617 ASN   A CG   1 
ATOM   7    O OD1  . ASN   A 1 40  ? -17.91015 -10.51593 -39.04140 1.000 67.74012 ? 617 ASN   A OD1  1 
ATOM   8    N ND2  . ASN   A 1 40  ? -19.49111 -12.00505 -39.61040 1.000 70.34892 ? 617 ASN   A ND2  1 
ATOM   9    N N    . VAL   A 1 41  ? -15.47669 -12.35890 -38.66484 1.000 52.54738 ? 618 VAL   A N    1 
ATOM   10   C CA   . VAL   A 1 41  ? -14.97721 -13.23492 -37.60970 1.000 52.11918 ? 618 VAL   A CA   1 
ATOM   11   C C    . VAL   A 1 41  ? -16.01083 -13.28397 -36.49531 1.000 52.02972 ? 618 VAL   A C    1 
ATOM   12   O O    . VAL   A 1 41  ? -16.46819 -12.23426 -36.02201 1.000 50.56859 ? 618 VAL   A O    1 
ATOM   13   C CB   . VAL   A 1 41  ? -13.61540 -12.74491 -37.08124 1.000 51.21430 ? 618 VAL   A CB   1 
ATOM   14   C CG1  . VAL   A 1 41  ? -13.19250 -13.52547 -35.84631 1.000 52.33725 ? 618 VAL   A CG1  1 
ATOM   15   C CG2  . VAL   A 1 41  ? -12.55259 -12.81910 -38.20123 1.000 53.44087 ? 618 VAL   A CG2  1 
ATOM   16   N N    . VAL   A 1 42  ? -16.37711 -14.49530 -36.07420 1.000 38.20989 ? 619 VAL   A N    1 
ATOM   17   C CA   . VAL   A 1 42  ? -17.35321 -14.67606 -35.00256 1.000 38.52561 ? 619 VAL   A CA   1 
ATOM   18   C C    . VAL   A 1 42  ? -16.61043 -14.80625 -33.67469 1.000 38.43402 ? 619 VAL   A C    1 
ATOM   19   O O    . VAL   A 1 42  ? -15.80748 -15.72429 -33.48195 1.000 38.71445 ? 619 VAL   A O    1 
ATOM   20   C CB   . VAL   A 1 42  ? -18.25150 -15.89527 -35.26322 1.000 39.56274 ? 619 VAL   A CB   1 
ATOM   21   C CG1  . VAL   A 1 42  ? -19.24281 -16.05560 -34.12138 1.000 39.36800 ? 619 VAL   A CG1  1 
ATOM   22   C CG2  . VAL   A 1 42  ? -18.98224 -15.72853 -36.57650 1.000 40.02773 ? 619 VAL   A CG2  1 
ATOM   23   N N    . ILE   A 1 43  ? -16.86836 -13.88583 -32.76054 1.000 41.45796 ? 620 ILE   A N    1 
ATOM   24   C CA   . ILE   A 1 43  ? -16.23759 -13.89735 -31.44243 1.000 41.26351 ? 620 ILE   A CA   1 
ATOM   25   C C    . ILE   A 1 43  ? -17.27982 -14.27076 -30.40423 1.000 40.91491 ? 620 ILE   A C    1 
ATOM   26   O O    . ILE   A 1 43  ? -18.45634 -13.90649 -30.51366 1.000 41.65054 ? 620 ILE   A O    1 
ATOM   27   C CB   . ILE   A 1 43  ? -15.60763 -12.53032 -31.10400 1.000 38.55603 ? 620 ILE   A CB   1 
ATOM   28   C CG1  . ILE   A 1 43  ? -14.59346 -12.11630 -32.17032 1.000 38.03910 ? 620 ILE   A CG1  1 
ATOM   29   C CG2  . ILE   A 1 43  ? -14.97065 -12.54880 -29.71214 1.000 37.93379 ? 620 ILE   A CG2  1 
ATOM   30   C CD1  . ILE   A 1 43  ? -13.28687 -12.85255 -32.06602 1.000 40.50716 ? 620 ILE   A CD1  1 
ATOM   31   N N    . TYR   A 1 44  ? -16.83426 -14.97700 -29.36790 1.000 41.31383 ? 621 TYR   A N    1 
ATOM   32   C CA   . TYR   A 1 44  ? -17.70067 -15.39066 -28.27640 1.000 40.80276 ? 621 TYR   A CA   1 
ATOM   33   C C    . TYR   A 1 44  ? -17.08867 -14.96378 -26.95608 1.000 38.51404 ? 621 TYR   A C    1 
ATOM   34   O O    . TYR   A 1 44  ? -15.91909 -15.26187 -26.67213 1.000 36.98314 ? 621 TYR   A O    1 
ATOM   35   C CB   . TYR   A 1 44  ? -17.92412 -16.90692 -28.26763 1.000 41.82308 ? 621 TYR   A CB   1 
ATOM   36   C CG   . TYR   A 1 44  ? -18.81793 -17.40028 -27.14829 1.000 40.52428 ? 621 TYR   A CG   1 
ATOM   37   C CD1  . TYR   A 1 44  ? -20.18339 -17.15274 -27.17393 1.000 41.37940 ? 621 TYR   A CD1  1 
ATOM   38   C CD2  . TYR   A 1 44  ? -18.30413 -18.14955 -26.09428 1.000 39.77663 ? 621 TYR   A CD2  1 
ATOM   39   C CE1  . TYR   A 1 44  ? -21.00962 -17.59771 -26.18520 1.000 40.85431 ? 621 TYR   A CE1  1 
ATOM   40   C CE2  . TYR   A 1 44  ? -19.13326 -18.60490 -25.06598 1.000 40.55441 ? 621 TYR   A CE2  1 
ATOM   41   C CZ   . TYR   A 1 44  ? -20.48681 -18.32205 -25.12457 1.000 41.51222 ? 621 TYR   A CZ   1 
ATOM   42   O OH   . TYR   A 1 44  ? -21.33200 -18.75170 -24.13512 1.000 40.97185 ? 621 TYR   A OH   1 
ATOM   43   N N    . ALA   A 1 45  ? -17.89315 -14.27839 -26.15564 1.000 38.97944 ? 622 ALA   A N    1 
ATOM   44   C CA   . ALA   A 1 45  ? -17.55044 -13.93501 -24.79135 1.000 37.56581 ? 622 ALA   A CA   1 
ATOM   45   C C    . ALA   A 1 45  ? -18.72062 -14.34247 -23.91552 1.000 38.42108 ? 622 ALA   A C    1 
ATOM   46   O O    . ALA   A 1 45  ? -19.88405 -14.28122 -24.33723 1.000 39.60170 ? 622 ALA   A O    1 
ATOM   47   C CB   . ALA   A 1 45  ? -17.24609 -12.42264 -24.64900 1.000 35.65048 ? 622 ALA   A CB   1 
ATOM   48   N N    . ASP   A 1 46  ? -18.40751 -14.79372 -22.70823 1.000 48.53071 ? 623 ASP   A N    1 
ATOM   49   C CA   . ASP   A 1 46  ? -19.43324 -15.19196 -21.75763 1.000 49.56261 ? 623 ASP   A CA   1 
ATOM   50   C C    . ASP   A 1 46  ? -19.11455 -14.57633 -20.40424 1.000 48.71929 ? 623 ASP   A C    1 
ATOM   51   O O    . ASP   A 1 46  ? -18.02767 -14.02977 -20.18317 1.000 47.95449 ? 623 ASP   A O    1 
ATOM   52   C CB   . ASP   A 1 46  ? -19.54507 -16.72072 -21.66362 1.000 49.37937 ? 623 ASP   A CB   1 
ATOM   53   C CG   . ASP   A 1 46  ? -18.26564 -17.37427 -21.18269 1.000 49.51399 ? 623 ASP   A CG   1 
ATOM   54   O OD1  . ASP   A 1 46  ? -17.40211 -16.68113 -20.59227 1.000 50.06767 ? 623 ASP   A OD1  1 
ATOM   55   O OD2  . ASP   A 1 46  ? -18.12940 -18.58810 -21.39298 1.000 49.35749 ? 623 ASP   A OD2  1 
ATOM   56   N N    . GLY   A 1 47  ? -20.06923 -14.68740 -19.49348 1.000 40.45947 ? 624 GLY   A N    1 
ATOM   57   C CA   . GLY   A 1 47  ? -19.93110 -14.06250 -18.19587 1.000 39.35116 ? 624 GLY   A CA   1 
ATOM   58   C C    . GLY   A 1 47  ? -21.27153 -13.92210 -17.50836 1.000 41.28846 ? 624 GLY   A C    1 
ATOM   59   O O    . GLY   A 1 47  ? -22.32295 -14.28323 -18.03711 1.000 41.25363 ? 624 GLY   A O    1 
ATOM   60   N N    . VAL   A 1 48  ? -21.20121 -13.40198 -16.28509 1.000 41.40462 ? 625 VAL   A N    1 
ATOM   61   C CA   . VAL   A 1 48  ? -22.40617 -13.20160 -15.49330 1.000 41.92829 ? 625 VAL   A CA   1 
ATOM   62   C C    . VAL   A 1 48  ? -23.09531 -11.91794 -15.90909 1.000 40.76577 ? 625 VAL   A C    1 
ATOM   63   O O    . VAL   A 1 48  ? -24.31446 -11.87696 -16.09569 1.000 42.09249 ? 625 VAL   A O    1 
ATOM   64   C CB   . VAL   A 1 48  ? -22.06254 -13.18833 -13.99311 1.000 42.92645 ? 625 VAL   A CB   1 
ATOM   65   C CG1  . VAL   A 1 48  ? -23.33041 -12.97284 -13.17285 1.000 43.96086 ? 625 VAL   A CG1  1 
ATOM   66   C CG2  . VAL   A 1 48  ? -21.35511 -14.47428 -13.59378 1.000 43.39061 ? 625 VAL   A CG2  1 
ATOM   67   N N    . TYR   A 1 49  ? -22.32597 -10.84365 -16.03489 1.000 39.78237 ? 626 TYR   A N    1 
ATOM   68   C CA   . TYR   A 1 49  ? -22.87955 -9.52916  -16.33895 1.000 39.70920 ? 626 TYR   A CA   1 
ATOM   69   C C    . TYR   A 1 49  ? -23.91320 -9.07921  -15.29718 1.000 42.12448 ? 626 TYR   A C    1 
ATOM   70   O O    . TYR   A 1 49  ? -24.88483 -8.39738  -15.62856 1.000 42.12967 ? 626 TYR   A O    1 
ATOM   71   C CB   . TYR   A 1 49  ? -23.46527 -9.52645  -17.75035 1.000 39.37162 ? 626 TYR   A CB   1 
ATOM   72   C CG   . TYR   A 1 49  ? -22.42254 -9.93214  -18.77799 1.000 37.36131 ? 626 TYR   A CG   1 
ATOM   73   C CD1  . TYR   A 1 49  ? -21.39590 -9.06227  -19.11735 1.000 36.29805 ? 626 TYR   A CD1  1 
ATOM   74   C CD2  . TYR   A 1 49  ? -22.45253 -11.18207 -19.39547 1.000 37.12081 ? 626 TYR   A CD2  1 
ATOM   75   C CE1  . TYR   A 1 49  ? -20.42720 -9.41173  -20.02789 1.000 35.22153 ? 626 TYR   A CE1  1 
ATOM   76   C CE2  . TYR   A 1 49  ? -21.48020 -11.54109 -20.32934 1.000 36.89303 ? 626 TYR   A CE2  1 
ATOM   77   C CZ   . TYR   A 1 49  ? -20.47740 -10.64511 -20.64473 1.000 35.46154 ? 626 TYR   A CZ   1 
ATOM   78   O OH   . TYR   A 1 49  ? -19.49040 -10.95250 -21.55614 1.000 34.20659 ? 626 TYR   A OH   1 
ATOM   79   N N    . ASP   A 1 50  ? -23.71569 -9.44961  -14.02572 1.000 40.88620 ? 627 ASP   A N    1 
ATOM   80   C CA   . ASP   A 1 50  ? -24.51906 -8.88455  -12.94509 1.000 42.51007 ? 627 ASP   A CA   1 
ATOM   81   C C    . ASP   A 1 50  ? -24.18087 -7.40902  -12.78201 1.000 40.75813 ? 627 ASP   A C    1 
ATOM   82   O O    . ASP   A 1 50  ? -23.02022 -7.00925  -12.89044 1.000 39.96929 ? 627 ASP   A O    1 
ATOM   83   C CB   . ASP   A 1 50  ? -24.26422 -9.63612  -11.62762 1.000 43.23760 ? 627 ASP   A CB   1 
ATOM   84   C CG   . ASP   A 1 50  ? -25.44845 -9.56521  -10.64893 1.000 45.97944 ? 627 ASP   A CG   1 
ATOM   85   O OD1  . ASP   A 1 50  ? -26.54181 -9.12295  -11.05914 1.000 46.85617 ? 627 ASP   A OD1  1 
ATOM   86   O OD2  . ASP   A 1 50  ? -25.29618 -9.96872  -9.45470  1.000 48.67612 ? 627 ASP   A OD2  1 
ATOM   87   N N    . MET   A 1 51  ? -25.20487 -6.59657  -12.53907 1.000 41.39001 ? 628 MET   A N    1 
ATOM   88   C CA   . MET   A 1 51  ? -25.03612 -5.15104  -12.33067 1.000 43.01335 ? 628 MET   A CA   1 
ATOM   89   C C    . MET   A 1 51  ? -24.07047 -4.53889  -13.35232 1.000 40.87996 ? 628 MET   A C    1 
ATOM   90   O O    . MET   A 1 51  ? -23.07206 -3.89787  -13.00255 1.000 39.29735 ? 628 MET   A O    1 
ATOM   91   C CB   . MET   A 1 51  ? -24.58236 -4.85998  -10.89463 1.000 43.27949 ? 628 MET   A CB   1 
ATOM   92   C CG   . MET   A 1 51  ? -25.53575 -5.41410  -9.85519  1.000 45.69224 ? 628 MET   A CG   1 
ATOM   93   S SD   . MET   A 1 51  ? -25.08598 -4.98677  -8.15937  1.000 46.40476 ? 628 MET   A SD   1 
ATOM   94   C CE   . MET   A 1 51  ? -23.40422 -5.60844  -8.10123  1.000 45.43132 ? 628 MET   A CE   1 
ATOM   95   N N    . LEU   A 1 52  ? -24.40014 -4.73132  -14.63509 1.000 41.34134 ? 629 LEU   A N    1 
ATOM   96   C CA   . LEU   A 1 52  ? -23.53353 -4.34782  -15.74795 1.000 39.76059 ? 629 LEU   A CA   1 
ATOM   97   C C    . LEU   A 1 52  ? -22.97344 -2.95466  -15.53937 1.000 38.67836 ? 629 LEU   A C    1 
ATOM   98   O O    . LEU   A 1 52  ? -23.72203 -2.01091  -15.30696 1.000 38.36022 ? 629 LEU   A O    1 
ATOM   99   C CB   . LEU   A 1 52  ? -24.31697 -4.39483  -17.07600 1.000 37.57273 ? 629 LEU   A CB   1 
ATOM   100  C CG   . LEU   A 1 52  ? -23.49094 -4.23707  -18.35470 1.000 36.70059 ? 629 LEU   A CG   1 
ATOM   101  C CD1  . LEU   A 1 52  ? -22.81504 -5.55049  -18.65051 1.000 36.86008 ? 629 LEU   A CD1  1 
ATOM   102  C CD2  . LEU   A 1 52  ? -24.33081 -3.78830  -19.57201 1.000 34.67591 ? 629 LEU   A CD2  1 
ATOM   103  N N    . HIS   A 1 53  ? -21.65280 -2.83115  -15.64208 1.000 40.47078 ? 630 HIS   A N    1 
ATOM   104  C CA   . HIS   A 1 53  ? -20.94176 -1.57753  -15.45804 1.000 42.16645 ? 630 HIS   A CA   1 
ATOM   105  C C    . HIS   A 1 53  ? -19.95344 -1.34616  -16.60574 1.000 41.93898 ? 630 HIS   A C    1 
ATOM   106  O O    . HIS   A 1 53  ? -19.77310 -2.18371  -17.50025 1.000 40.17280 ? 630 HIS   A O    1 
ATOM   107  C CB   . HIS   A 1 53  ? -20.20780 -1.56908  -14.11940 1.000 42.57796 ? 630 HIS   A CB   1 
ATOM   108  C CG   . HIS   A 1 53  ? -19.36424 -2.77719  -13.90234 1.000 43.19974 ? 630 HIS   A CG   1 
ATOM   109  N ND1  . HIS   A 1 53  ? -18.09086 -2.89281  -14.41400 1.000 43.45684 ? 630 HIS   A ND1  1 
ATOM   110  C CD2  . HIS   A 1 53  ? -19.60963 -3.92875  -13.22746 1.000 43.43598 ? 630 HIS   A CD2  1 
ATOM   111  C CE1  . HIS   A 1 53  ? -17.58379 -4.06319  -14.06475 1.000 43.32782 ? 630 HIS   A CE1  1 
ATOM   112  N NE2  . HIS   A 1 53  ? -18.48439 -4.70902  -13.34231 1.000 43.78555 ? 630 HIS   A NE2  1 
ATOM   113  N N    . LEU   A 1 54  ? -19.28963 -0.18669  -16.54533 1.000 40.44588 ? 631 LEU   A N    1 
ATOM   114  C CA   . LEU   A 1 54  ? -18.28205 0.18150   -17.53301 1.000 40.53472 ? 631 LEU   A CA   1 
ATOM   115  C C    . LEU   A 1 54  ? -17.20633 -0.88443  -17.69582 1.000 40.53727 ? 631 LEU   A C    1 
ATOM   116  O O    . LEU   A 1 54  ? -16.60025 -0.97613  -18.76967 1.000 41.20524 ? 631 LEU   A O    1 
ATOM   117  C CB   . LEU   A 1 54  ? -17.66405 1.52731   -17.14751 1.000 39.55386 ? 631 LEU   A CB   1 
ATOM   118  C CG   . LEU   A 1 54  ? -16.71132 2.20899   -18.12859 1.000 41.16482 ? 631 LEU   A CG   1 
ATOM   119  C CD1  . LEU   A 1 54  ? -17.37353 2.39567   -19.50153 1.000 39.43746 ? 631 LEU   A CD1  1 
ATOM   120  C CD2  . LEU   A 1 54  ? -16.23342 3.54568   -17.56839 1.000 39.69160 ? 631 LEU   A CD2  1 
ATOM   121  N N    . GLY   A 1 55  ? -16.97027 -1.70488  -16.67065 1.000 37.87015 ? 632 GLY   A N    1 
ATOM   122  C CA   . GLY   A 1 55  ? -16.01341 -2.79908  -16.80133 1.000 37.88526 ? 632 GLY   A CA   1 
ATOM   123  C C    . GLY   A 1 55  ? -16.45202 -3.84769  -17.81379 1.000 36.24161 ? 632 GLY   A C    1 
ATOM   124  O O    . GLY   A 1 55  ? -15.70334 -4.19411  -18.73641 1.000 35.16424 ? 632 GLY   A O    1 
ATOM   125  N N    . HIS   A 1 56  ? -17.67718 -4.35858  -17.67190 1.000 44.76778 ? 633 HIS   A N    1 
ATOM   126  C CA   . HIS   A 1 56  ? -18.20480 -5.26217  -18.69257 1.000 43.25473 ? 633 HIS   A CA   1 
ATOM   127  C C    . HIS   A 1 56  ? -18.15526 -4.60611  -20.06575 1.000 42.72490 ? 633 HIS   A C    1 
ATOM   128  O O    . HIS   A 1 56  ? -17.63869 -5.17941  -21.03391 1.000 40.97339 ? 633 HIS   A O    1 
ATOM   129  C CB   . HIS   A 1 56  ? -19.64890 -5.65995  -18.37267 1.000 42.79126 ? 633 HIS   A CB   1 
ATOM   130  C CG   . HIS   A 1 56  ? -19.86667 -6.13615  -16.97140 1.000 44.26631 ? 633 HIS   A CG   1 
ATOM   131  N ND1  . HIS   A 1 56  ? -19.45357 -7.37623  -16.53224 1.000 44.29695 ? 633 HIS   A ND1  1 
ATOM   132  C CD2  . HIS   A 1 56  ? -20.48657 -5.55147  -15.91861 1.000 46.26403 ? 633 HIS   A CD2  1 
ATOM   133  C CE1  . HIS   A 1 56  ? -19.79327 -7.52786  -15.26396 1.000 45.70731 ? 633 HIS   A CE1  1 
ATOM   134  N NE2  . HIS   A 1 56  ? -20.42974 -6.43992  -14.87134 1.000 46.86911 ? 633 HIS   A NE2  1 
ATOM   135  N N    . MET   A 1 57  ? -18.71221 -3.39398  -20.16149 1.000 42.78363 ? 634 MET   A N    1 
ATOM   136  C CA   . MET   A 1 57  ? -18.81455 -2.69202  -21.43493 1.000 41.51175 ? 634 MET   A CA   1 
ATOM   137  C C    . MET   A 1 57  ? -17.45975 -2.57457  -22.11913 1.000 41.87470 ? 634 MET   A C    1 
ATOM   138  O O    . MET   A 1 57  ? -17.34117 -2.81892  -23.32189 1.000 40.70331 ? 634 MET   A O    1 
ATOM   139  C CB   . MET   A 1 57  ? -19.42831 -1.31533  -21.19450 1.000 42.52355 ? 634 MET   A CB   1 
ATOM   140  C CG   . MET   A 1 57  ? -20.80472 -1.35262  -20.55501 1.000 41.38264 ? 634 MET   A CG   1 
ATOM   141  S SD   . MET   A 1 57  ? -21.29342 0.32808   -20.08559 1.000 42.39214 ? 634 MET   A SD   1 
ATOM   142  C CE   . MET   A 1 57  ? -22.89613 0.02336   -19.33931 1.000 40.50184 ? 634 MET   A CE   1 
ATOM   143  N N    . LYS   A 1 58  ? -16.42071 -2.20616  -21.37162 1.000 43.36679 ? 635 LYS   A N    1 
ATOM   144  C CA   . LYS   A 1 58  ? -15.10178 -2.08683  -21.98166 1.000 44.81851 ? 635 LYS   A CA   1 
ATOM   145  C C    . LYS   A 1 58  ? -14.56864 -3.43978  -22.41797 1.000 44.73644 ? 635 LYS   A C    1 
ATOM   146  O O    . LYS   A 1 58  ? -13.88989 -3.53578  -23.44858 1.000 45.18189 ? 635 LYS   A O    1 
ATOM   147  C CB   . LYS   A 1 58  ? -14.11768 -1.41553  -21.02115 1.000 47.49292 ? 635 LYS   A CB   1 
ATOM   148  C CG   . LYS   A 1 58  ? -14.40898 0.06366   -20.81103 1.000 48.63419 ? 635 LYS   A CG   1 
ATOM   149  C CD   . LYS   A 1 58  ? -13.44450 0.71560   -19.82712 1.000 48.97703 ? 635 LYS   A CD   1 
ATOM   150  C CE   . LYS   A 1 58  ? -12.02840 0.76308   -20.37679 1.000 51.11533 ? 635 LYS   A CE   1 
ATOM   151  N NZ   . LYS   A 1 58  ? -11.17855 1.66710   -19.55448 1.000 52.57206 ? 635 LYS   A NZ   1 
ATOM   152  N N    . GLN   A 1 59  ? -14.86451 -4.49065  -21.65597 1.000 46.29175 ? 636 GLN   A N    1 
ATOM   153  C CA   . GLN   A 1 59  ? -14.41433 -5.81636  -22.04616 1.000 44.89791 ? 636 GLN   A CA   1 
ATOM   154  C C    . GLN   A 1 59  ? -15.16983 -6.31615  -23.26944 1.000 43.09311 ? 636 GLN   A C    1 
ATOM   155  O O    . GLN   A 1 59  ? -14.57505 -6.92220  -24.16626 1.000 41.91017 ? 636 GLN   A O    1 
ATOM   156  C CB   . GLN   A 1 59  ? -14.58486 -6.77404  -20.88511 1.000 45.21053 ? 636 GLN   A CB   1 
ATOM   157  C CG   . GLN   A 1 59  ? -13.84394 -8.04826  -21.06958 1.000 46.02753 ? 636 GLN   A CG   1 
ATOM   158  C CD   . GLN   A 1 59  ? -13.57105 -8.70938  -19.74648 1.000 47.67048 ? 636 GLN   A CD   1 
ATOM   159  O OE1  . GLN   A 1 59  ? -12.51110 -9.31480  -19.55668 1.000 48.45532 ? 636 GLN   A OE1  1 
ATOM   160  N NE2  . GLN   A 1 59  ? -14.52842 -8.59768  -18.81195 1.000 47.12578 ? 636 GLN   A NE2  1 
ATOM   161  N N    . LEU   A 1 60  ? -16.48210 -6.06714  -23.32247 1.000 39.46264 ? 637 LEU   A N    1 
ATOM   162  C CA   . LEU   A 1 60  ? -17.24503 -6.34203  -24.53424 1.000 38.02149 ? 637 LEU   A CA   1 
ATOM   163  C C    . LEU   A 1 60  ? -16.72828 -5.53060  -25.72073 1.000 39.38244 ? 637 LEU   A C    1 
ATOM   164  O O    . LEU   A 1 60  ? -16.61589 -6.05116  -26.84476 1.000 37.74087 ? 637 LEU   A O    1 
ATOM   165  C CB   . LEU   A 1 60  ? -18.72283 -6.04807  -24.28820 1.000 37.50083 ? 637 LEU   A CB   1 
ATOM   166  C CG   . LEU   A 1 60  ? -19.38963 -6.93971  -23.23991 1.000 38.12152 ? 637 LEU   A CG   1 
ATOM   167  C CD1  . LEU   A 1 60  ? -20.82987 -6.50301  -23.08775 1.000 38.90796 ? 637 LEU   A CD1  1 
ATOM   168  C CD2  . LEU   A 1 60  ? -19.33151 -8.38985  -23.65026 1.000 36.95487 ? 637 LEU   A CD2  1 
ATOM   169  N N    . GLU   A 1 61  ? -16.44179 -4.24305  -25.50573 1.000 39.73482 ? 638 GLU   A N    1 
ATOM   170  C CA   . GLU   A 1 61  ? -15.90687 -3.42827  -26.59284 1.000 39.85738 ? 638 GLU   A CA   1 
ATOM   171  C C    . GLU   A 1 61  ? -14.64171 -4.05230  -27.14828 1.000 41.25881 ? 638 GLU   A C    1 
ATOM   172  O O    . GLU   A 1 61  ? -14.47753 -4.19324  -28.36768 1.000 40.42617 ? 638 GLU   A O    1 
ATOM   173  C CB   . GLU   A 1 61  ? -15.61619 -2.00758  -26.11347 1.000 42.16142 ? 638 GLU   A CB   1 
ATOM   174  C CG   . GLU   A 1 61  ? -15.18168 -1.05942  -27.23290 1.000 43.17328 ? 638 GLU   A CG   1 
ATOM   175  C CD   . GLU   A 1 61  ? -14.75006 0.31209   -26.70502 1.000 45.07958 ? 638 GLU   A CD   1 
ATOM   176  O OE1  . GLU   A 1 61  ? -14.52751 0.44310   -25.47393 1.000 46.79857 ? 638 GLU   A OE1  1 
ATOM   177  O OE2  . GLU   A 1 61  ? -14.62948 1.24760   -27.52711 1.000 44.82731 ? 638 GLU   A OE2  1 
ATOM   178  N N    . GLN   A 1 62  ? -13.73246 -4.43375  -26.25785 1.000 40.83626 ? 639 GLN   A N    1 
ATOM   179  C CA   . GLN   A 1 62  ? -12.46869 -4.99859  -26.69797 1.000 43.18051 ? 639 GLN   A CA   1 
ATOM   180  C C    . GLN   A 1 62  ? -12.69499 -6.27465  -27.49537 1.000 42.02902 ? 639 GLN   A C    1 
ATOM   181  O O    . GLN   A 1 62  ? -12.09486 -6.46449  -28.55854 1.000 42.39250 ? 639 GLN   A O    1 
ATOM   182  C CB   . GLN   A 1 62  ? -11.57996 -5.24949  -25.48578 1.000 45.93595 ? 639 GLN   A CB   1 
ATOM   183  C CG   . GLN   A 1 62  ? -10.16910 -5.65310  -25.83310 1.000 47.96162 ? 639 GLN   A CG   1 
ATOM   184  C CD   . GLN   A 1 62  ? -9.34775  -5.96826  -24.59215 1.000 51.73100 ? 639 GLN   A CD   1 
ATOM   185  O OE1  . GLN   A 1 62  ? -9.82988  -5.85820  -23.45251 1.000 50.30195 ? 639 GLN   A OE1  1 
ATOM   186  N NE2  . GLN   A 1 62  ? -8.09581  -6.36787  -24.80847 1.000 54.58661 ? 639 GLN   A NE2  1 
ATOM   187  N N    . ALA   A 1 63  ? -13.58736 -7.14708  -27.01815 1.000 42.36707 ? 640 ALA   A N    1 
ATOM   188  C CA   . ALA   A 1 63  ? -13.91450 -8.35172  -27.77457 1.000 41.70575 ? 640 ALA   A CA   1 
ATOM   189  C C    . ALA   A 1 63  ? -14.43289 -7.99519  -29.16534 1.000 40.70475 ? 640 ALA   A C    1 
ATOM   190  O O    . ALA   A 1 63  ? -13.96983 -8.54360  -30.17960 1.000 42.12214 ? 640 ALA   A O    1 
ATOM   191  C CB   . ALA   A 1 63  ? -14.93918 -9.18584  -27.00906 1.000 38.26519 ? 640 ALA   A CB   1 
ATOM   192  N N    . LYS   A 1 64  ? -15.38525 -7.05461  -29.22889 1.000 33.54199 ? 641 LYS   A N    1 
ATOM   193  C CA   . LYS   A 1 64  ? -16.00830 -6.69210  -30.49330 1.000 33.81393 ? 641 LYS   A CA   1 
ATOM   194  C C    . LYS   A 1 64  ? -14.97460 -6.27360  -31.52961 1.000 35.54470 ? 641 LYS   A C    1 
ATOM   195  O O    . LYS   A 1 64  ? -15.19249 -6.46742  -32.72997 1.000 36.27148 ? 641 LYS   A O    1 
ATOM   196  C CB   . LYS   A 1 64  ? -17.02002 -5.56752  -30.27491 1.000 33.20098 ? 641 LYS   A CB   1 
ATOM   197  C CG   . LYS   A 1 64  ? -17.55589 -4.90821  -31.56907 1.000 34.05515 ? 641 LYS   A CG   1 
ATOM   198  C CD   . LYS   A 1 64  ? -18.47151 -5.85998  -32.29757 1.000 34.59562 ? 641 LYS   A CD   1 
ATOM   199  C CE   . LYS   A 1 64  ? -19.16128 -5.23232  -33.49212 1.000 34.41538 ? 641 LYS   A CE   1 
ATOM   200  N NZ   . LYS   A 1 64  ? -19.48722 -6.30572  -34.49222 1.000 36.78790 ? 641 LYS   A NZ   1 
ATOM   201  N N    . LYS   A 1 65  ? -13.83259 -5.75251  -31.08301 1.000 42.73992 ? 642 LYS   A N    1 
ATOM   202  C CA   . LYS   A 1 65  ? -12.87071 -5.07547  -31.93649 1.000 44.18217 ? 642 LYS   A CA   1 
ATOM   203  C C    . LYS   A 1 65  ? -11.57913 -5.85658  -32.10663 1.000 46.42547 ? 642 LYS   A C    1 
ATOM   204  O O    . LYS   A 1 65  ? -10.61730 -5.32947  -32.68655 1.000 49.22917 ? 642 LYS   A O    1 
ATOM   205  C CB   . LYS   A 1 65  ? -12.57814 -3.68053  -31.37456 1.000 44.69651 ? 642 LYS   A CB   1 
ATOM   206  C CG   . LYS   A 1 65  ? -13.79816 -2.76628  -31.35646 1.000 42.94239 ? 642 LYS   A CG   1 
ATOM   207  C CD   . LYS   A 1 65  ? -13.44544 -1.35083  -30.90334 1.000 44.78138 ? 642 LYS   A CD   1 
ATOM   208  C CE   . LYS   A 1 65  ? -14.66616 -0.44204  -30.93033 1.000 42.93928 ? 642 LYS   A CE   1 
ATOM   209  N NZ   . LYS   A 1 65  ? -14.40078 0.86958   -30.28575 1.000 43.16053 ? 642 LYS   A NZ   1 
ATOM   210  N N    . LEU   A 1 66  ? -11.52690 -7.09580  -31.62044 1.000 42.99791 ? 643 LEU   A N    1 
ATOM   211  C CA   . LEU   A 1 66  ? -10.38658 -7.95205  -31.93106 1.000 43.19729 ? 643 LEU   A CA   1 
ATOM   212  C C    . LEU   A 1 66  ? -10.08021 -7.94796  -33.42648 1.000 46.76560 ? 643 LEU   A C    1 
ATOM   213  O O    . LEU   A 1 66  ? -8.91098  -7.91540  -33.82853 1.000 47.98519 ? 643 LEU   A O    1 
ATOM   214  C CB   . LEU   A 1 66  ? -10.65098 -9.37361  -31.42776 1.000 41.68609 ? 643 LEU   A CB   1 
ATOM   215  C CG   . LEU   A 1 66  ? -10.66159 -9.42585  -29.89091 1.000 38.75428 ? 643 LEU   A CG   1 
ATOM   216  C CD1  . LEU   A 1 66  ? -11.21559 -10.73853 -29.34168 1.000 36.26034 ? 643 LEU   A CD1  1 
ATOM   217  C CD2  . LEU   A 1 66  ? -9.25849  -9.19949  -29.38486 1.000 37.76069 ? 643 LEU   A CD2  1 
ATOM   218  N N    . PHE   A 1 67  ? -11.11354 -7.95252  -34.26631 1.000 49.02823 ? 644 PHE   A N    1 
ATOM   219  C CA   . PHE   A 1 67  ? -10.93264 -7.89425  -35.71549 1.000 51.12858 ? 644 PHE   A CA   1 
ATOM   220  C C    . PHE   A 1 67  ? -11.78540 -6.79994  -36.33565 1.000 51.39618 ? 644 PHE   A C    1 
ATOM   221  O O    . PHE   A 1 67  ? -12.79810 -6.36980  -35.77406 1.000 50.58472 ? 644 PHE   A O    1 
ATOM   222  C CB   . PHE   A 1 67  ? -11.26393 -9.22280  -36.36958 1.000 49.76565 ? 644 PHE   A CB   1 
ATOM   223  C CG   . PHE   A 1 67  ? -10.38470 -10.31823 -35.91082 1.000 49.07698 ? 644 PHE   A CG   1 
ATOM   224  C CD1  . PHE   A 1 67  ? -9.10794  -10.45986 -36.44028 1.000 51.01503 ? 644 PHE   A CD1  1 
ATOM   225  C CD2  . PHE   A 1 67  ? -10.80684 -11.17882 -34.91321 1.000 45.62310 ? 644 PHE   A CD2  1 
ATOM   226  C CE1  . PHE   A 1 67  ? -8.27624  -11.46399 -36.00365 1.000 47.62160 ? 644 PHE   A CE1  1 
ATOM   227  C CE2  . PHE   A 1 67  ? -9.98993  -12.18511 -34.47061 1.000 43.88476 ? 644 PHE   A CE2  1 
ATOM   228  C CZ   . PHE   A 1 67  ? -8.72065  -12.33151 -35.01375 1.000 45.05453 ? 644 PHE   A CZ   1 
ATOM   229  N N    . GLU   A 1 68  ? -11.36492 -6.36986  -37.53122 1.000 60.40275 ? 645 GLU   A N    1 
ATOM   230  C CA   . GLU   A 1 68  ? -12.02986 -5.25208  -38.18638 1.000 61.04736 ? 645 GLU   A CA   1 
ATOM   231  C C    . GLU   A 1 68  ? -13.49145 -5.56549  -38.46810 1.000 60.31549 ? 645 GLU   A C    1 
ATOM   232  O O    . GLU   A 1 68  ? -14.34209 -4.67331  -38.41438 1.000 60.04626 ? 645 GLU   A O    1 
ATOM   233  C CB   . GLU   A 1 68  ? -11.29696 -4.88738  -39.47651 1.000 63.48153 ? 645 GLU   A CB   1 
ATOM   234  N N    . ASN   A 1 69  ? -13.80745 -6.81804  -38.77587 1.000 64.51366 ? 646 ASN   A N    1 
ATOM   235  C CA   . ASN   A 1 69  ? -15.17381 -7.21360  -39.10605 1.000 65.49974 ? 646 ASN   A CA   1 
ATOM   236  C C    . ASN   A 1 69  ? -15.54968 -8.41324  -38.25761 1.000 63.66495 ? 646 ASN   A C    1 
ATOM   237  O O    . ASN   A 1 69  ? -15.09544 -9.52987  -38.52266 1.000 63.25965 ? 646 ASN   A O    1 
ATOM   238  C CB   . ASN   A 1 69  ? -15.32832 -7.54277  -40.59073 1.000 67.31268 ? 646 ASN   A CB   1 
ATOM   239  C CG   . ASN   A 1 69  ? -15.90245 -6.38795  -41.37768 1.000 70.79908 ? 646 ASN   A CG   1 
ATOM   240  O OD1  . ASN   A 1 69  ? -17.06625 -6.02014  -41.19924 1.000 72.21472 ? 646 ASN   A OD1  1 
ATOM   241  N ND2  . ASN   A 1 69  ? -15.09263 -5.80546  -42.25403 1.000 73.38174 ? 646 ASN   A ND2  1 
ATOM   242  N N    . THR   A 1 70  ? -16.40726 -8.19363  -37.27323 1.000 51.32391 ? 647 THR   A N    1 
ATOM   243  C CA   . THR   A 1 70  ? -16.73795 -9.23350  -36.31979 1.000 49.02090 ? 647 THR   A CA   1 
ATOM   244  C C    . THR   A 1 70  ? -18.23994 -9.32707  -36.11426 1.000 48.07615 ? 647 THR   A C    1 
ATOM   245  O O    . THR   A 1 70  ? -19.00183 -8.40024  -36.40975 1.000 48.81923 ? 647 THR   A O    1 
ATOM   246  C CB   . THR   A 1 70  ? -16.08011 -8.99141  -34.96475 1.000 47.81499 ? 647 THR   A CB   1 
ATOM   247  O OG1  . THR   A 1 70  ? -16.55331 -7.74390  -34.44384 1.000 47.77382 ? 647 THR   A OG1  1 
ATOM   248  C CG2  . THR   A 1 70  ? -14.57262 -8.95405  -35.10108 1.000 49.45932 ? 647 THR   A CG2  1 
ATOM   249  N N    . THR   A 1 71  ? -18.64334 -10.49312 -35.61634 1.000 44.64967 ? 648 THR   A N    1 
ATOM   250  C CA   . THR   A 1 71  ? -19.94841 -10.71179 -35.00865 1.000 43.01225 ? 648 THR   A CA   1 
ATOM   251  C C    . THR   A 1 71  ? -19.72633 -11.20295 -33.57878 1.000 40.32301 ? 648 THR   A C    1 
ATOM   252  O O    . THR   A 1 71  ? -19.14098 -12.26848 -33.36087 1.000 39.32811 ? 648 THR   A O    1 
ATOM   253  C CB   . THR   A 1 71  ? -20.76908 -11.70514 -35.82817 1.000 44.23004 ? 648 THR   A CB   1 
ATOM   254  O OG1  . THR   A 1 71  ? -21.11370 -11.10703 -37.08967 1.000 48.33832 ? 648 THR   A OG1  1 
ATOM   255  C CG2  . THR   A 1 71  ? -22.03330 -12.10547 -35.08967 1.000 43.13549 ? 648 THR   A CG2  1 
ATOM   256  N N    . LEU   A 1 72  ? -20.15520 -10.40744 -32.61203 1.000 42.19583 ? 649 LEU   A N    1 
ATOM   257  C CA   . LEU   A 1 72  ? -19.89036 -10.67368 -31.20062 1.000 39.23549 ? 649 LEU   A CA   1 
ATOM   258  C C    . LEU   A 1 72  ? -21.10292 -11.34740 -30.58457 1.000 38.01177 ? 649 LEU   A C    1 
ATOM   259  O O    . LEU   A 1 72  ? -22.20728 -10.78536 -30.61317 1.000 36.94174 ? 649 LEU   A O    1 
ATOM   260  C CB   . LEU   A 1 72  ? -19.56237 -9.38996  -30.44149 1.000 38.63538 ? 649 LEU   A CB   1 
ATOM   261  C CG   . LEU   A 1 72  ? -19.43105 -9.55109  -28.89261 1.000 35.60353 ? 649 LEU   A CG   1 
ATOM   262  C CD1  . LEU   A 1 72  ? -18.34124 -10.53703 -28.44539 1.000 34.44707 ? 649 LEU   A CD1  1 
ATOM   263  C CD2  . LEU   A 1 72  ? -19.20083 -8.19911  -28.24931 1.000 35.41468 ? 649 LEU   A CD2  1 
ATOM   264  N N    . ILE   A 1 73  ? -20.89310 -12.55564 -30.05558 1.000 40.14654 ? 650 ILE   A N    1 
ATOM   265  C CA   . ILE   A 1 73  ? -21.91018 -13.32407 -29.33995 1.000 40.04667 ? 650 ILE   A CA   1 
ATOM   266  C C    . ILE   A 1 73  ? -21.54489 -13.30521 -27.86296 1.000 36.02070 ? 650 ILE   A C    1 
ATOM   267  O O    . ILE   A 1 73  ? -20.38923 -13.54545 -27.49190 1.000 35.58540 ? 650 ILE   A O    1 
ATOM   268  C CB   . ILE   A 1 73  ? -22.00914 -14.76850 -29.87120 1.000 40.61657 ? 650 ILE   A CB   1 
ATOM   269  C CG1  . ILE   A 1 73  ? -22.17590 -14.76079 -31.39945 1.000 42.51877 ? 650 ILE   A CG1  1 
ATOM   270  C CG2  . ILE   A 1 73  ? -23.16737 -15.51812 -29.23025 1.000 38.77206 ? 650 ILE   A CG2  1 
ATOM   271  C CD1  . ILE   A 1 73  ? -22.00286 -16.11028 -32.03196 1.000 43.65370 ? 650 ILE   A CD1  1 
ATOM   272  N N    . VAL   A 1 74  ? -22.50489 -12.96848 -27.02477 1.000 37.85703 ? 651 VAL   A N    1 
ATOM   273  C CA   . VAL   A 1 74  ? -22.27885 -12.86775 -25.58699 1.000 33.93805 ? 651 VAL   A CA   1 
ATOM   274  C C    . VAL   A 1 74  ? -23.15885 -13.90736 -24.92660 1.000 33.08752 ? 651 VAL   A C    1 
ATOM   275  O O    . VAL   A 1 74  ? -24.35905 -13.98897 -25.21275 1.000 34.23824 ? 651 VAL   A O    1 
ATOM   276  C CB   . VAL   A 1 74  ? -22.58549 -11.45436 -25.06729 1.000 35.00673 ? 651 VAL   A CB   1 
ATOM   277  C CG1  . VAL   A 1 74  ? -22.34774 -11.36724 -23.53648 1.000 32.51887 ? 651 VAL   A CG1  1 
ATOM   278  C CG2  . VAL   A 1 74  ? -21.74784 -10.43559 -25.82447 1.000 35.24144 ? 651 VAL   A CG2  1 
ATOM   279  N N    . GLY   A 1 75  ? -22.55453 -14.75769 -24.10065 1.000 36.87127 ? 652 GLY   A N    1 
ATOM   280  C CA   . GLY   A 1 75  ? -23.30472 -15.76291 -23.38065 1.000 35.90236 ? 652 GLY   A CA   1 
ATOM   281  C C    . GLY   A 1 75  ? -23.47095 -15.31869 -21.94051 1.000 35.69267 ? 652 GLY   A C    1 
ATOM   282  O O    . GLY   A 1 75  ? -22.51380 -14.85825 -21.30956 1.000 33.75651 ? 652 GLY   A O    1 
ATOM   283  N N    . VAL   A 1 76  ? -24.70098 -15.43914 -21.44216 1.000 40.04391 ? 653 VAL   A N    1 
ATOM   284  C CA   . VAL   A 1 76  ? -25.04713 -15.02250 -20.08486 1.000 39.94572 ? 653 VAL   A CA   1 
ATOM   285  C C    . VAL   A 1 76  ? -25.34323 -16.27287 -19.25958 1.000 38.86240 ? 653 VAL   A C    1 
ATOM   286  O O    . VAL   A 1 76  ? -26.31989 -16.99202 -19.51952 1.000 39.08909 ? 653 VAL   A O    1 
ATOM   287  C CB   . VAL   A 1 76  ? -26.23392 -14.05053 -20.06988 1.000 41.12671 ? 653 VAL   A CB   1 
ATOM   288  C CG1  . VAL   A 1 76  ? -26.38344 -13.43627 -18.68342 1.000 43.05821 ? 653 VAL   A CG1  1 
ATOM   289  C CG2  . VAL   A 1 76  ? -26.05194 -12.95720 -21.13712 1.000 42.49509 ? 653 VAL   A CG2  1 
ATOM   290  N N    . THR   A 1 77  ? -24.49443 -16.52407 -18.26840 1.000 41.06647 ? 654 THR   A N    1 
ATOM   291  C CA   . THR   A 1 77  ? -24.60937 -17.71415 -17.42842 1.000 41.11768 ? 654 THR   A CA   1 
ATOM   292  C C    . THR   A 1 77  ? -25.92468 -17.72409 -16.65930 1.000 40.99084 ? 654 THR   A C    1 
ATOM   293  O O    . THR   A 1 77  ? -26.48705 -16.67138 -16.32353 1.000 41.31723 ? 654 THR   A O    1 
ATOM   294  C CB   . THR   A 1 77  ? -23.45135 -17.78511 -16.43763 1.000 40.15814 ? 654 THR   A CB   1 
ATOM   295  O OG1  . THR   A 1 77  ? -23.38727 -16.55645 -15.69884 1.000 40.51179 ? 654 THR   A OG1  1 
ATOM   296  C CG2  . THR   A 1 77  ? -22.13751 -18.00356 -17.15908 1.000 41.01769 ? 654 THR   A CG2  1 
ATOM   297  N N    . SER   A 1 78  ? -26.39281 -18.93287 -16.35182 1.000 43.90516 ? 655 SER   A N    1 
ATOM   298  C CA   . SER   A 1 78  ? -27.66688 -19.10119 -15.67110 1.000 44.67208 ? 655 SER   A CA   1 
ATOM   299  C C    . SER   A 1 78  ? -27.55739 -18.72281 -14.19515 1.000 45.05412 ? 655 SER   A C    1 
ATOM   300  O O    . SER   A 1 78  ? -26.47746 -18.71789 -13.59986 1.000 44.52611 ? 655 SER   A O    1 
ATOM   301  C CB   . SER   A 1 78  ? -28.15737 -20.54001 -15.80267 1.000 45.55628 ? 655 SER   A CB   1 
ATOM   302  O OG   . SER   A 1 78  ? -27.36307 -21.41496 -15.02074 1.000 46.09837 ? 655 SER   A OG   1 
ATOM   303  N N    . ASP   A 1 79  ? -28.70431 -18.38228 -13.60868 1.000 54.64376 ? 656 ASP   A N    1 
ATOM   304  C CA   . ASP   A 1 79  ? -28.75220 -18.09827 -12.17887 1.000 56.38037 ? 656 ASP   A CA   1 
ATOM   305  C C    . ASP   A 1 79  ? -28.25848 -19.29268 -11.37056 1.000 56.79419 ? 656 ASP   A C    1 
ATOM   306  O O    . ASP   A 1 79  ? -27.27770 -19.19801 -10.62003 1.000 56.34467 ? 656 ASP   A O    1 
ATOM   307  C CB   . ASP   A 1 79  ? -30.17704 -17.73732 -11.76231 1.000 57.42583 ? 656 ASP   A CB   1 
ATOM   308  C CG   . ASP   A 1 79  ? -30.64292 -16.42228 -12.33991 1.000 58.05710 ? 656 ASP   A CG   1 
ATOM   309  O OD1  . ASP   A 1 79  ? -29.80799 -15.49304 -12.46989 1.000 57.18404 ? 656 ASP   A OD1  1 
ATOM   310  O OD2  . ASP   A 1 79  ? -31.85125 -16.31367 -12.66623 1.000 58.99418 ? 656 ASP   A OD2  1 
ATOM   311  N N    . ASN   A 1 80  ? -28.93740 -20.43217 -11.50549 1.000 53.35077 ? 657 ASN   A N    1 
ATOM   312  C CA   . ASN   A 1 80  ? -28.62758 -21.56482 -10.63928 1.000 53.62528 ? 657 ASN   A CA   1 
ATOM   313  C C    . ASN   A 1 80  ? -27.15609 -21.94650 -10.75275 1.000 53.25440 ? 657 ASN   A C    1 
ATOM   314  O O    . ASN   A 1 80  ? -26.48443 -22.16944 -9.73977  1.000 53.57560 ? 657 ASN   A O    1 
ATOM   315  C CB   . ASN   A 1 80  ? -29.53808 -22.74919 -10.96939 1.000 54.84187 ? 657 ASN   A CB   1 
ATOM   316  N N    . GLU   A 1 81  ? -26.62329 -21.98965 -11.97874 1.000 50.32662 ? 658 GLU   A N    1 
ATOM   317  C CA   . GLU   A 1 81  ? -25.23201 -22.40351 -12.15356 1.000 49.80324 ? 658 GLU   A CA   1 
ATOM   318  C C    . GLU   A 1 81  ? -24.25229 -21.35963 -11.62713 1.000 49.22565 ? 658 GLU   A C    1 
ATOM   319  O O    . GLU   A 1 81  ? -23.25673 -21.70870 -10.98296 1.000 50.98803 ? 658 GLU   A O    1 
ATOM   320  C CB   . GLU   A 1 81  ? -24.94703 -22.70021 -13.61787 1.000 49.62856 ? 658 GLU   A CB   1 
ATOM   321  C CG   . GLU   A 1 81  ? -25.32437 -24.10497 -14.03497 1.000 51.34936 ? 658 GLU   A CG   1 
ATOM   322  C CD   . GLU   A 1 81  ? -25.45612 -24.22488 -15.55856 1.000 50.88995 ? 658 GLU   A CD   1 
ATOM   323  O OE1  . GLU   A 1 81  ? -25.89326 -23.23276 -16.17813 1.000 50.09985 ? 658 GLU   A OE1  1 
ATOM   324  O OE2  . GLU   A 1 81  ? -25.13313 -25.30267 -16.11413 1.000 51.46348 ? 658 GLU   A OE2  1 
ATOM   325  N N    . THR   A 1 82  ? -24.48705 -20.07890 -11.91262 1.000 46.23097 ? 659 THR   A N    1 
ATOM   326  C CA   . THR   A 1 82  ? -23.60706 -19.05558 -11.35675 1.000 45.87252 ? 659 THR   A CA   1 
ATOM   327  C C    . THR   A 1 82  ? -23.58870 -19.11927 -9.83301  1.000 46.33922 ? 659 THR   A C    1 
ATOM   328  O O    . THR   A 1 82  ? -22.52542 -19.01735 -9.20543  1.000 45.87547 ? 659 THR   A O    1 
ATOM   329  C CB   . THR   A 1 82  ? -24.04067 -17.66690 -11.82064 1.000 45.22134 ? 659 THR   A CB   1 
ATOM   330  O OG1  . THR   A 1 82  ? -23.90456 -17.56488 -13.25111 1.000 43.64654 ? 659 THR   A OG1  1 
ATOM   331  C CG2  . THR   A 1 82  ? -23.18221 -16.61463 -11.12507 1.000 43.53139 ? 659 THR   A CG2  1 
ATOM   332  N N    . LYS   A 1 83  ? -24.75142 -19.31643 -9.21858  1.000 60.98295 ? 660 LYS   A N    1 
ATOM   333  C CA   . LYS   A 1 83  ? -24.79025 -19.37314 -7.76068  1.000 62.42919 ? 660 LYS   A CA   1 
ATOM   334  C C    . LYS   A 1 83  ? -24.10783 -20.62345 -7.22969  1.000 63.25019 ? 660 LYS   A C    1 
ATOM   335  O O    . LYS   A 1 83  ? -23.42766 -20.56309 -6.20145  1.000 65.49126 ? 660 LYS   A O    1 
ATOM   336  C CB   . LYS   A 1 83  ? -26.23586 -19.28644 -7.27649  1.000 63.23508 ? 660 LYS   A CB   1 
ATOM   337  C CG   . LYS   A 1 83  ? -26.91310 -17.99000 -7.71568  1.000 62.93025 ? 660 LYS   A CG   1 
ATOM   338  C CD   . LYS   A 1 83  ? -28.29534 -17.84263 -7.11373  1.000 66.58853 ? 660 LYS   A CD   1 
ATOM   339  C CE   . LYS   A 1 83  ? -29.37189 -17.85122 -8.17840  1.000 65.69071 ? 660 LYS   A CE   1 
ATOM   340  N NZ   . LYS   A 1 83  ? -30.71958 -17.96488 -7.55274  1.000 67.47134 ? 660 LYS   A NZ   1 
ATOM   341  N N    . LEU   A 1 84  ? -24.24674 -21.75023 -7.92928  1.000 51.60629 ? 661 LEU   A N    1 
ATOM   342  C CA   . LEU   A 1 84  ? -23.68310 -23.00632 -7.44314  1.000 54.84219 ? 661 LEU   A CA   1 
ATOM   343  C C    . LEU   A 1 84  ? -22.16139 -23.03632 -7.55725  1.000 55.44116 ? 661 LEU   A C    1 
ATOM   344  O O    . LEU   A 1 84  ? -21.48404 -23.59889 -6.69389  1.000 58.57694 ? 661 LEU   A O    1 
ATOM   345  C CB   . LEU   A 1 84  ? -24.29356 -24.17719 -8.20855  1.000 55.25160 ? 661 LEU   A CB   1 
ATOM   346  N N    . PHE   A 1 85  ? -21.59996 -22.43940 -8.60859  1.000 59.01485 ? 662 PHE   A N    1 
ATOM   347  C CA   . PHE   A 1 85  ? -20.17645 -22.57588 -8.89626  1.000 59.32145 ? 662 PHE   A CA   1 
ATOM   348  C C    . PHE   A 1 85  ? -19.34552 -21.32779 -8.63929  1.000 58.02703 ? 662 PHE   A C    1 
ATOM   349  O O    . PHE   A 1 85  ? -18.12894 -21.44861 -8.48878  1.000 59.30257 ? 662 PHE   A O    1 
ATOM   350  C CB   . PHE   A 1 85  ? -19.96041 -22.98981 -10.36385 1.000 58.41648 ? 662 PHE   A CB   1 
ATOM   351  C CG   . PHE   A 1 85  ? -20.65215 -24.25995 -10.73340 1.000 58.89284 ? 662 PHE   A CG   1 
ATOM   352  C CD1  . PHE   A 1 85  ? -20.24970 -25.46268 -10.18926 1.000 61.80459 ? 662 PHE   A CD1  1 
ATOM   353  C CD2  . PHE   A 1 85  ? -21.70926 -24.25222 -11.61150 1.000 57.76321 ? 662 PHE   A CD2  1 
ATOM   354  C CE1  . PHE   A 1 85  ? -20.89037 -26.63786 -10.51450 1.000 63.78068 ? 662 PHE   A CE1  1 
ATOM   355  C CE2  . PHE   A 1 85  ? -22.34765 -25.42584 -11.94721 1.000 58.53726 ? 662 PHE   A CE2  1 
ATOM   356  C CZ   . PHE   A 1 85  ? -21.94006 -26.61921 -11.39834 1.000 60.98090 ? 662 PHE   A CZ   1 
ATOM   357  N N    . LYS   A 1 86  ? -19.94473 -20.14030 -8.60531  1.000 54.12202 ? 663 LYS   A N    1 
ATOM   358  C CA   . LYS   A 1 86  ? -19.15127 -18.91446 -8.60713  1.000 53.78153 ? 663 LYS   A CA   1 
ATOM   359  C C    . LYS   A 1 86  ? -19.49248 -17.99323 -7.44268  1.000 54.43005 ? 663 LYS   A C    1 
ATOM   360  O O    . LYS   A 1 86  ? -18.60091 -17.63588 -6.66514  1.000 56.67041 ? 663 LYS   A O    1 
ATOM   361  C CB   . LYS   A 1 86  ? -19.31842 -18.17886 -9.94367  1.000 51.19699 ? 663 LYS   A CB   1 
ATOM   362  C CG   . LYS   A 1 86  ? -18.44672 -16.94111 -10.05933 1.000 51.47512 ? 663 LYS   A CG   1 
ATOM   363  C CD   . LYS   A 1 86  ? -18.65237 -16.21581 -11.40397 1.000 50.25702 ? 663 LYS   A CD   1 
ATOM   364  C CE   . LYS   A 1 86  ? -18.08593 -14.78626 -11.36141 1.000 50.64424 ? 663 LYS   A CE   1 
ATOM   365  N NZ   . LYS   A 1 86  ? -18.89859 -13.79281 -10.54688 1.000 51.32103 ? 663 LYS   A NZ   1 
ATOM   366  N N    . GLY   A 1 87  ? -20.74259 -17.58984 -7.29892  1.000 54.96539 ? 664 GLY   A N    1 
ATOM   367  C CA   . GLY   A 1 87  ? -21.07844 -16.70476 -6.20734  1.000 55.76960 ? 664 GLY   A CA   1 
ATOM   368  C C    . GLY   A 1 87  ? -22.43272 -16.07387 -6.44636  1.000 54.74796 ? 664 GLY   A C    1 
ATOM   369  O O    . GLY   A 1 87  ? -23.17616 -16.48117 -7.33601  1.000 55.41244 ? 664 GLY   A O    1 
ATOM   370  N N    . GLN   A 1 88  ? -22.70125 -15.04934 -5.65195  1.000 52.01902 ? 665 GLN   A N    1 
ATOM   371  C CA   . GLN   A 1 88  ? -24.01699 -14.44339 -5.58212  1.000 52.70509 ? 665 GLN   A CA   1 
ATOM   372  C C    . GLN   A 1 88  ? -24.27294 -13.54352 -6.77509  1.000 51.70293 ? 665 GLN   A C    1 
ATOM   373  O O    . GLN   A 1 88  ? -23.36472 -12.86506 -7.26697  1.000 50.81636 ? 665 GLN   A O    1 
ATOM   374  C CB   . GLN   A 1 88  ? -24.13515 -13.63770 -4.29758  1.000 53.55757 ? 665 GLN   A CB   1 
ATOM   375  C CG   . GLN   A 1 88  ? -23.49946 -14.35107 -3.12559  1.000 56.04698 ? 665 GLN   A CG   1 
ATOM   376  C CD   . GLN   A 1 88  ? -24.07671 -13.85610 -1.82033  1.000 58.30502 ? 665 GLN   A CD   1 
ATOM   377  O OE1  . GLN   A 1 88  ? -25.16289 -13.27019 -1.80477  1.000 57.39854 ? 665 GLN   A OE1  1 
ATOM   378  N NE2  . GLN   A 1 88  ? -23.35314 -14.06654 -0.72299  1.000 61.13720 ? 665 GLN   A NE2  1 
ATOM   379  N N    . VAL   A 1 89  ? -25.52575 -13.53164 -7.22358  1.000 48.40845 ? 666 VAL   A N    1 
ATOM   380  C CA   . VAL   A 1 89  ? -25.96519 -12.71719 -8.34062  1.000 47.79539 ? 666 VAL   A CA   1 
ATOM   381  C C    . VAL   A 1 89  ? -27.19130 -11.95041 -7.88349  1.000 49.41188 ? 666 VAL   A C    1 
ATOM   382  O O    . VAL   A 1 89  ? -28.14910 -12.54812 -7.38201  1.000 51.32180 ? 666 VAL   A O    1 
ATOM   383  C CB   . VAL   A 1 89  ? -26.28269 -13.57760 -9.57623  1.000 47.70092 ? 666 VAL   A CB   1 
ATOM   384  C CG1  . VAL   A 1 89  ? -26.83127 -12.72730 -10.69714 1.000 47.57529 ? 666 VAL   A CG1  1 
ATOM   385  C CG2  . VAL   A 1 89  ? -25.04388 -14.31667 -10.02177 1.000 46.37576 ? 666 VAL   A CG2  1 
ATOM   386  N N    . VAL   A 1 90  ? -27.14698 -10.62889 -8.02774  1.000 48.01428 ? 667 VAL   A N    1 
ATOM   387  C CA   . VAL   A 1 90  ? -28.31734 -9.80436  -7.75196  1.000 49.44557 ? 667 VAL   A CA   1 
ATOM   388  C C    . VAL   A 1 90  ? -29.42171 -10.10420 -8.75891  1.000 50.95030 ? 667 VAL   A C    1 
ATOM   389  O O    . VAL   A 1 90  ? -30.53466 -10.49331 -8.39945  1.000 53.02170 ? 667 VAL   A O    1 
ATOM   390  C CB   . VAL   A 1 90  ? -27.94247 -8.31124  -7.78892  1.000 49.09393 ? 667 VAL   A CB   1 
ATOM   391  C CG1  . VAL   A 1 90  ? -29.03011 -7.47825  -7.14245  1.000 51.11729 ? 667 VAL   A CG1  1 
ATOM   392  C CG2  . VAL   A 1 90  ? -26.58156 -8.07393  -7.15635  1.000 48.38531 ? 667 VAL   A CG2  1 
ATOM   393  N N    . GLN   A 1 91  ? -29.12229 -9.93209  -10.03677 1.000 43.29152 ? 668 GLN   A N    1 
ATOM   394  C CA   . GLN   A 1 91  ? -30.14273 -9.87487  -11.07668 1.000 43.88564 ? 668 GLN   A CA   1 
ATOM   395  C C    . GLN   A 1 91  ? -30.41156 -11.24039 -11.69649 1.000 43.76012 ? 668 GLN   A C    1 
ATOM   396  O O    . GLN   A 1 91  ? -29.50058 -12.05985 -11.85853 1.000 42.30140 ? 668 GLN   A O    1 
ATOM   397  C CB   . GLN   A 1 91  ? -29.71194 -8.89071  -12.15008 1.000 42.79450 ? 668 GLN   A CB   1 
ATOM   398  C CG   . GLN   A 1 91  ? -29.35574 -7.52455  -11.58807 1.000 42.09790 ? 668 GLN   A CG   1 
ATOM   399  C CD   . GLN   A 1 91  ? -28.99855 -6.52859  -12.67787 1.000 40.39574 ? 668 GLN   A CD   1 
ATOM   400  O OE1  . GLN   A 1 91  ? -27.82665 -6.34831  -13.02323 1.000 38.79234 ? 668 GLN   A OE1  1 
ATOM   401  N NE2  . GLN   A 1 91  ? -30.01315 -5.89022  -13.23802 1.000 40.96538 ? 668 GLN   A NE2  1 
ATOM   402  N N    . THR   A 1 92  ? -31.67631 -11.48074 -12.03254 1.000 42.23014 ? 669 THR   A N    1 
ATOM   403  C CA   . THR   A 1 92  ? -32.04667 -12.69415 -12.75190 1.000 41.73683 ? 669 THR   A CA   1 
ATOM   404  C C    . THR   A 1 92  ? -31.40489 -12.73541 -14.13524 1.000 40.25340 ? 669 THR   A C    1 
ATOM   405  O O    . THR   A 1 92  ? -30.96683 -11.71202 -14.68551 1.000 39.16625 ? 669 THR   A O    1 
ATOM   406  C CB   . THR   A 1 92  ? -33.56259 -12.78220 -12.92146 1.000 42.73651 ? 669 THR   A CB   1 
ATOM   407  O OG1  . THR   A 1 92  ? -34.01771 -11.69452 -13.74252 1.000 41.75883 ? 669 THR   A OG1  1 
ATOM   408  C CG2  . THR   A 1 92  ? -34.24592 -12.71617 -11.56060 1.000 44.85987 ? 669 THR   A CG2  1 
ATOM   409  N N    . LEU   A 1 93  ? -31.37999 -13.94404 -14.71153 1.000 43.99786 ? 670 LEU   A N    1 
ATOM   410  C CA   . LEU   A 1 93  ? -30.96597 -14.09591 -16.10368 1.000 42.50081 ? 670 LEU   A CA   1 
ATOM   411  C C    . LEU   A 1 93  ? -31.71576 -13.11664 -16.99563 1.000 41.36636 ? 670 LEU   A C    1 
ATOM   412  O O    . LEU   A 1 93  ? -31.11199 -12.41505 -17.80718 1.000 40.05737 ? 670 LEU   A O    1 
ATOM   413  C CB   . LEU   A 1 93  ? -31.18564 -15.53610 -16.57562 1.000 42.39203 ? 670 LEU   A CB   1 
ATOM   414  C CG   . LEU   A 1 93  ? -30.87218 -15.86193 -18.05001 1.000 41.13025 ? 670 LEU   A CG   1 
ATOM   415  C CD1  . LEU   A 1 93  ? -29.42090 -15.58267 -18.37026 1.000 39.77367 ? 670 LEU   A CD1  1 
ATOM   416  C CD2  . LEU   A 1 93  ? -31.20912 -17.32006 -18.36095 1.000 40.42404 ? 670 LEU   A CD2  1 
ATOM   417  N N    . GLU   A 1 94  ? -33.03095 -13.01568 -16.81349 1.000 56.24182 ? 671 GLU   A N    1 
ATOM   418  C CA   . GLU   A 1 94  ? -33.82705 -12.17322 -17.69156 1.000 55.12167 ? 671 GLU   A CA   1 
ATOM   419  C C    . GLU   A 1 94  ? -33.44501 -10.70506 -17.56661 1.000 55.04639 ? 671 GLU   A C    1 
ATOM   420  O O    . GLU   A 1 94  ? -33.43214 -9.98254  -18.56929 1.000 54.12315 ? 671 GLU   A O    1 
ATOM   421  C CB   . GLU   A 1 94  ? -35.30458 -12.36220 -17.39555 1.000 56.53307 ? 671 GLU   A CB   1 
ATOM   422  C CG   . GLU   A 1 94  ? -36.17029 -11.40908 -18.17112 1.000 57.53667 ? 671 GLU   A CG   1 
ATOM   423  C CD   . GLU   A 1 94  ? -37.63264 -11.73322 -18.03048 1.000 59.36208 ? 671 GLU   A CD   1 
ATOM   424  O OE1  . GLU   A 1 94  ? -37.93693 -12.79210 -17.43347 1.000 60.86845 ? 671 GLU   A OE1  1 
ATOM   425  O OE2  . GLU   A 1 94  ? -38.47041 -10.94206 -18.52065 1.000 60.23197 ? 671 GLU   A OE2  1 
ATOM   426  N N    . GLU   A 1 95  ? -33.15629 -10.23727 -16.34168 1.000 42.76332 ? 672 GLU   A N    1 
ATOM   427  C CA   . GLU   A 1 95  ? -32.72811 -8.84891  -16.15077 1.000 42.36150 ? 672 GLU   A CA   1 
ATOM   428  C C    . GLU   A 1 95  ? -31.33911 -8.61676  -16.73116 1.000 40.19429 ? 672 GLU   A C    1 
ATOM   429  O O    . GLU   A 1 95  ? -31.09933 -7.62446  -17.43796 1.000 38.93706 ? 672 GLU   A O    1 
ATOM   430  C CB   . GLU   A 1 95  ? -32.71970 -8.47796  -14.65877 1.000 43.16367 ? 672 GLU   A CB   1 
ATOM   431  C CG   . GLU   A 1 95  ? -34.05909 -8.55459  -13.97633 1.000 46.26330 ? 672 GLU   A CG   1 
ATOM   432  C CD   . GLU   A 1 95  ? -33.96015 -8.39160  -12.45767 1.000 49.43300 ? 672 GLU   A CD   1 
ATOM   433  O OE1  . GLU   A 1 95  ? -33.17239 -9.11925  -11.80315 1.000 49.62697 ? 672 GLU   A OE1  1 
ATOM   434  O OE2  . GLU   A 1 95  ? -34.67848 -7.52355  -11.92331 1.000 51.04888 ? 672 GLU   A OE2  1 
ATOM   435  N N    . ARG   A 1 96  ? -30.39850 -9.50598  -16.40615 1.000 39.54649 ? 673 ARG   A N    1 
ATOM   436  C CA   . ARG   A 1 96  ? -29.02642 -9.31167  -16.84837 1.000 38.15470 ? 673 ARG   A CA   1 
ATOM   437  C C    . ARG   A 1 96  ? -28.94112 -9.31426  -18.37379 1.000 38.16736 ? 673 ARG   A C    1 
ATOM   438  O O    . ARG   A 1 96  ? -28.11154 -8.59888  -18.94447 1.000 35.93274 ? 673 ARG   A O    1 
ATOM   439  C CB   . ARG   A 1 96  ? -28.12371 -10.38841 -16.24162 1.000 37.83029 ? 673 ARG   A CB   1 
ATOM   440  C CG   . ARG   A 1 96  ? -28.25402 -10.50395 -14.73409 1.000 39.27784 ? 673 ARG   A CG   1 
ATOM   441  C CD   . ARG   A 1 96  ? -27.19529 -11.42899 -14.11772 1.000 38.23528 ? 673 ARG   A CD   1 
ATOM   442  N NE   . ARG   A 1 96  ? -27.68242 -12.79956 -14.00249 1.000 39.13905 ? 673 ARG   A NE   1 
ATOM   443  C CZ   . ARG   A 1 96  ? -27.15775 -13.84659 -14.62668 1.000 38.74462 ? 673 ARG   A CZ   1 
ATOM   444  N NH1  . ARG   A 1 96  ? -26.10058 -13.72992 -15.41181 1.000 37.59585 ? 673 ARG   A NH1  1 
ATOM   445  N NH2  . ARG   A 1 96  ? -27.69917 -15.04720 -14.44563 1.000 40.18600 ? 673 ARG   A NH2  1 
ATOM   446  N N    . THR   A 1 97  ? -29.83297 -10.06933 -19.03395 1.000 42.35184 ? 674 THR   A N    1 
ATOM   447  C CA   . THR   A 1 97  ? -29.88482 -10.20222 -20.48568 1.000 42.57525 ? 674 THR   A CA   1 
ATOM   448  C C    . THR   A 1 97  ? -30.51281 -8.97016  -21.12387 1.000 42.01393 ? 674 THR   A C    1 
ATOM   449  O O    . THR   A 1 97  ? -29.98256 -8.43168  -22.10525 1.000 40.77804 ? 674 THR   A O    1 
ATOM   450  C CB   . THR   A 1 97  ? -30.68346 -11.45817 -20.86909 1.000 42.84270 ? 674 THR   A CB   1 
ATOM   451  O OG1  . THR   A 1 97  ? -30.07633 -12.62434 -20.30205 1.000 42.62430 ? 674 THR   A OG1  1 
ATOM   452  C CG2  . THR   A 1 97  ? -30.77696 -11.62367 -22.40196 1.000 42.26902 ? 674 THR   A CG2  1 
ATOM   453  N N    . GLU   A 1 98  ? -31.63889 -8.51369  -20.56822 1.000 48.39289 ? 675 GLU   A N    1 
ATOM   454  C CA   . GLU   A 1 98  ? -32.31406 -7.33854  -21.10453 1.000 48.47219 ? 675 GLU   A CA   1 
ATOM   455  C C    . GLU   A 1 98  ? -31.41348 -6.10957  -21.07728 1.000 47.85326 ? 675 GLU   A C    1 
ATOM   456  O O    . GLU   A 1 98  ? -31.55033 -5.22008  -21.92897 1.000 48.16636 ? 675 GLU   A O    1 
ATOM   457  C CB   . GLU   A 1 98  ? -33.60899 -7.08983  -20.32644 1.000 49.92381 ? 675 GLU   A CB   1 
ATOM   458  C CG   . GLU   A 1 98  ? -34.27096 -5.75222  -20.58923 1.000 49.87916 ? 675 GLU   A CG   1 
ATOM   459  C CD   . GLU   A 1 98  ? -35.69974 -5.68692  -20.05953 1.000 51.94465 ? 675 GLU   A CD   1 
ATOM   460  O OE1  . GLU   A 1 98  ? -36.26275 -6.74251  -19.68433 1.000 53.43908 ? 675 GLU   A OE1  1 
ATOM   461  O OE2  . GLU   A 1 98  ? -36.26536 -4.57146  -20.02352 1.000 53.04725 ? 675 GLU   A OE2  1 
ATOM   462  N N    . THR   A 1 99  ? -30.48192 -6.04302  -20.12290 1.000 38.83190 ? 676 THR   A N    1 
ATOM   463  C CA   . THR   A 1 99  ? -29.58413 -4.89611  -20.04267 1.000 38.18883 ? 676 THR   A CA   1 
ATOM   464  C C    . THR   A 1 99  ? -28.46396 -4.99717  -21.07447 1.000 37.75849 ? 676 THR   A C    1 
ATOM   465  O O    . THR   A 1 99  ? -28.14821 -4.00990  -21.75206 1.000 36.61982 ? 676 THR   A O    1 
ATOM   466  C CB   . THR   A 1 99  ? -29.01762 -4.77075  -18.62144 1.000 38.45684 ? 676 THR   A CB   1 
ATOM   467  O OG1  . THR   A 1 99  ? -30.10163 -4.74576  -17.68423 1.000 40.24079 ? 676 THR   A OG1  1 
ATOM   468  C CG2  . THR   A 1 99  ? -28.20172 -3.47915  -18.46680 1.000 37.91356 ? 676 THR   A CG2  1 
ATOM   469  N N    . LEU   A 1 100 ? -27.88288 -6.19172  -21.22581 1.000 42.08876 ? 677 LEU   A N    1 
ATOM   470  C CA   . LEU   A 1 100 ? -26.88030 -6.43229  -22.25908 1.000 41.24775 ? 677 LEU   A CA   1 
ATOM   471  C C    . LEU   A 1 100 ? -27.36307 -6.06604  -23.66005 1.000 40.82057 ? 677 LEU   A C    1 
ATOM   472  O O    . LEU   A 1 100 ? -26.55604 -5.70580  -24.52374 1.000 40.58193 ? 677 LEU   A O    1 
ATOM   473  C CB   . LEU   A 1 100 ? -26.49206 -7.90311  -22.26015 1.000 42.08608 ? 677 LEU   A CB   1 
ATOM   474  C CG   . LEU   A 1 100 ? -25.32865 -8.34452  -21.40349 1.000 42.05081 ? 677 LEU   A CG   1 
ATOM   475  C CD1  . LEU   A 1 100 ? -25.13821 -9.82205  -21.66943 1.000 41.76664 ? 677 LEU   A CD1  1 
ATOM   476  C CD2  . LEU   A 1 100 ? -24.11023 -7.54974  -21.80796 1.000 40.89704 ? 677 LEU   A CD2  1 
ATOM   477  N N    . LYS   A 1 101 ? -28.65383 -6.20743  -23.93272 1.000 38.01372 ? 678 LYS   A N    1 
ATOM   478  C CA   . LYS   A 1 101 ? -29.07329 -5.91060  -25.28889 1.000 38.92365 ? 678 LYS   A CA   1 
ATOM   479  C C    . LYS   A 1 101 ? -28.90985 -4.43311  -25.64354 1.000 39.80290 ? 678 LYS   A C    1 
ATOM   480  O O    . LYS   A 1 101 ? -29.05326 -4.08112  -26.81863 1.000 39.50894 ? 678 LYS   A O    1 
ATOM   481  C CB   . LYS   A 1 101 ? -30.52175 -6.35367  -25.51164 1.000 39.73673 ? 678 LYS   A CB   1 
ATOM   482  C CG   . LYS   A 1 101 ? -31.52994 -5.39666  -24.97382 1.000 40.70636 ? 678 LYS   A CG   1 
ATOM   483  C CD   . LYS   A 1 101 ? -32.94625 -5.78496  -25.35498 1.000 41.73281 ? 678 LYS   A CD   1 
ATOM   484  C CE   . LYS   A 1 101 ? -33.90813 -4.70586  -24.83811 1.000 42.33231 ? 678 LYS   A CE   1 
ATOM   485  N NZ   . LYS   A 1 101 ? -35.34125 -5.03704  -24.97730 1.000 43.45907 ? 678 LYS   A NZ   1 
ATOM   486  N N    . HIS   A 1 102 ? -28.60782 -3.56856  -24.67332 1.000 35.04924 ? 679 HIS   A N    1 
ATOM   487  C CA   . HIS   A 1 102 ? -28.42643 -2.14418  -24.92069 1.000 35.01049 ? 679 HIS   A CA   1 
ATOM   488  C C    . HIS   A 1 102 ? -26.98728 -1.77252  -25.20886 1.000 34.32997 ? 679 HIS   A C    1 
ATOM   489  O O    . HIS   A 1 102 ? -26.71009 -0.60875  -25.51864 1.000 37.08596 ? 679 HIS   A O    1 
ATOM   490  C CB   . HIS   A 1 102 ? -28.93006 -1.33326  -23.71748 1.000 37.16150 ? 679 HIS   A CB   1 
ATOM   491  C CG   . HIS   A 1 102 ? -30.39505 -1.49071  -23.48055 1.000 37.38499 ? 679 HIS   A CG   1 
ATOM   492  N ND1  . HIS   A 1 102 ? -31.33819 -0.72534  -24.12949 1.000 38.09561 ? 679 HIS   A ND1  1 
ATOM   493  C CD2  . HIS   A 1 102 ? -31.08108 -2.36035  -22.70640 1.000 37.56221 ? 679 HIS   A CD2  1 
ATOM   494  C CE1  . HIS   A 1 102 ? -32.54476 -1.10530  -23.75005 1.000 39.73873 ? 679 HIS   A CE1  1 
ATOM   495  N NE2  . HIS   A 1 102 ? -32.41531 -2.10056  -22.88796 1.000 39.16594 ? 679 HIS   A NE2  1 
ATOM   496  N N    . ILE   A 1 103 ? -26.06724 -2.71647  -25.10392 1.000 36.30611 ? 680 ILE   A N    1 
ATOM   497  C CA   . ILE   A 1 103 ? -24.65798 -2.42497  -25.33077 1.000 36.48490 ? 680 ILE   A CA   1 
ATOM   498  C C    . ILE   A 1 103 ? -24.39157 -2.51948  -26.82978 1.000 38.55543 ? 680 ILE   A C    1 
ATOM   499  O O    . ILE   A 1 103 ? -24.63240 -3.56065  -27.45276 1.000 37.55623 ? 680 ILE   A O    1 
ATOM   500  C CB   . ILE   A 1 103 ? -23.77686 -3.38872  -24.53041 1.000 36.23273 ? 680 ILE   A CB   1 
ATOM   501  C CG1  . ILE   A 1 103 ? -24.17168 -3.31291  -23.04579 1.000 36.17158 ? 680 ILE   A CG1  1 
ATOM   502  C CG2  . ILE   A 1 103 ? -22.32071 -3.04988  -24.70590 1.000 37.73513 ? 680 ILE   A CG2  1 
ATOM   503  C CD1  . ILE   A 1 103 ? -24.36675 -1.87913  -22.55489 1.000 36.42630 ? 680 ILE   A CD1  1 
ATOM   504  N N    . ARG   A 1 104 ? -23.92200 -1.42200  -27.41700 1.000 43.17614 ? 681 ARG   A N    1 
ATOM   505  C CA   . ARG   A 1 104 ? -23.79300 -1.37100  -28.86600 1.000 44.19326 ? 681 ARG   A CA   1 
ATOM   506  C C    . ARG   A 1 104 ? -22.86100 -2.45200  -29.38400 1.000 44.24615 ? 681 ARG   A C    1 
ATOM   507  O O    . ARG   A 1 104 ? -23.04100 -2.92900  -30.49600 1.000 45.00239 ? 681 ARG   A O    1 
ATOM   508  C CB   . ARG   A 1 104 ? -23.30600 0.00900   -29.29600 1.000 45.73538 ? 681 ARG   A CB   1 
ATOM   509  C CG   . ARG   A 1 104 ? -21.85500 0.25400   -28.98100 1.000 47.13679 ? 681 ARG   A CG   1 
ATOM   510  C CD   . ARG   A 1 104 ? -21.31900 1.51800   -29.70600 1.000 50.45037 ? 681 ARG   A CD   1 
ATOM   511  N NE   . ARG   A 1 104 ? -21.90900 2.76600   -29.23000 1.000 50.03564 ? 681 ARG   A NE   1 
ATOM   512  C CZ   . ARG   A 1 104 ? -22.77600 3.50100   -29.91500 1.000 50.71115 ? 681 ARG   A CZ   1 
ATOM   513  N NH1  . ARG   A 1 104 ? -23.19000 3.14100   -31.12500 1.000 49.86148 ? 681 ARG   A NH1  1 
ATOM   514  N NH2  . ARG   A 1 104 ? -23.24600 4.62300   -29.37100 1.000 50.27587 ? 681 ARG   A NH2  1 
ATOM   515  N N    . TRP   A 1 105 ? -21.90700 -2.91392  -28.57586 1.000 41.14960 ? 682 TRP   A N    1 
ATOM   516  C CA   . TRP   A 1 105 ? -20.96031 -3.90144  -29.07758 1.000 41.63350 ? 682 TRP   A CA   1 
ATOM   517  C C    . TRP   A 1 105 ? -21.55503 -5.28537  -29.22402 1.000 40.42705 ? 682 TRP   A C    1 
ATOM   518  O O    . TRP   A 1 105 ? -20.89694 -6.14569  -29.81924 1.000 42.18317 ? 682 TRP   A O    1 
ATOM   519  C CB   . TRP   A 1 105 ? -19.74298 -4.00441  -28.17177 1.000 42.15813 ? 682 TRP   A CB   1 
ATOM   520  C CG   . TRP   A 1 105 ? -19.29941 -2.69916  -27.72919 1.000 44.47818 ? 682 TRP   A CG   1 
ATOM   521  C CD1  . TRP   A 1 105 ? -19.28148 -2.22872  -26.44402 1.000 44.02069 ? 682 TRP   A CD1  1 
ATOM   522  C CD2  . TRP   A 1 105 ? -18.85581 -1.62723  -28.56054 1.000 46.41548 ? 682 TRP   A CD2  1 
ATOM   523  N NE1  . TRP   A 1 105 ? -18.81979 -0.93619  -26.42961 1.000 46.60981 ? 682 TRP   A NE1  1 
ATOM   524  C CE2  . TRP   A 1 105 ? -18.55682 -0.54121  -27.71463 1.000 47.89147 ? 682 TRP   A CE2  1 
ATOM   525  C CE3  . TRP   A 1 105 ? -18.67452 -1.47895  -29.93938 1.000 47.66612 ? 682 TRP   A CE3  1 
ATOM   526  C CZ2  . TRP   A 1 105 ? -18.08350 0.67225   -28.20368 1.000 50.66044 ? 682 TRP   A CZ2  1 
ATOM   527  C CZ3  . TRP   A 1 105 ? -18.20684 -0.26783  -30.41922 1.000 48.95760 ? 682 TRP   A CZ3  1 
ATOM   528  C CH2  . TRP   A 1 105 ? -17.92075 0.78555   -29.56249 1.000 50.17542 ? 682 TRP   A CH2  1 
ATOM   529  N N    . VAL   A 1 106 ? -22.75921 -5.52823  -28.72227 1.000 46.04850 ? 683 VAL   A N    1 
ATOM   530  C CA   . VAL   A 1 106 ? -23.30136 -6.88491  -28.65457 1.000 46.70393 ? 683 VAL   A CA   1 
ATOM   531  C C    . VAL   A 1 106 ? -24.12903 -7.14855  -29.90154 1.000 46.62317 ? 683 VAL   A C    1 
ATOM   532  O O    . VAL   A 1 106 ? -25.07844 -6.41383  -30.19764 1.000 45.95843 ? 683 VAL   A O    1 
ATOM   533  C CB   . VAL   A 1 106 ? -24.13847 -7.10246  -27.38283 1.000 45.55169 ? 683 VAL   A CB   1 
ATOM   534  C CG1  . VAL   A 1 106 ? -24.68098 -8.52361  -27.35205 1.000 46.01885 ? 683 VAL   A CG1  1 
ATOM   535  C CG2  . VAL   A 1 106 ? -23.30481 -6.82798  -26.14192 1.000 44.38580 ? 683 VAL   A CG2  1 
ATOM   536  N N    . ASP   A 1 107 ? -23.77530 -8.20204  -30.63613 1.000 40.69983 ? 684 ASP   A N    1 
ATOM   537  C CA   . ASP   A 1 107 ? -24.52921 -8.56538  -31.83171 1.000 41.64015 ? 684 ASP   A CA   1 
ATOM   538  C C    . ASP   A 1 107 ? -25.51029 -9.69970  -31.57988 1.000 40.99948 ? 684 ASP   A C    1 
ATOM   539  O O    . ASP   A 1 107 ? -26.63081 -9.66871  -32.09751 1.000 40.68977 ? 684 ASP   A O    1 
ATOM   540  C CB   . ASP   A 1 107 ? -23.57007 -8.94146  -32.96677 1.000 42.41109 ? 684 ASP   A CB   1 
ATOM   541  C CG   . ASP   A 1 107 ? -22.59033 -7.83529  -33.28646 1.000 42.77105 ? 684 ASP   A CG   1 
ATOM   542  O OD1  . ASP   A 1 107 ? -23.03832 -6.67651  -33.43602 1.000 42.67862 ? 684 ASP   A OD1  1 
ATOM   543  O OD2  . ASP   A 1 107 ? -21.37538 -8.12050  -33.39283 1.000 44.13413 ? 684 ASP   A OD2  1 
ATOM   544  N N    . GLU   A 1 108 ? -25.12957 -10.68425 -30.76749 1.000 35.95109 ? 685 GLU   A N    1 
ATOM   545  C CA   . GLU   A 1 108 ? -26.04188 -11.76721 -30.42683 1.000 37.19651 ? 685 GLU   A CA   1 
ATOM   546  C C    . GLU   A 1 108 ? -25.80104 -12.20178 -28.99214 1.000 36.68558 ? 685 GLU   A C    1 
ATOM   547  O O    . GLU   A 1 108 ? -24.66962 -12.16747 -28.50118 1.000 36.62218 ? 685 GLU   A O    1 
ATOM   548  C CB   . GLU   A 1 108 ? -25.87202 -12.98085 -31.36176 1.000 37.73284 ? 685 GLU   A CB   1 
ATOM   549  N N    . ILE   A 1 109 ? -26.86189 -12.66024 -28.33774 1.000 42.05101 ? 686 ILE   A N    1 
ATOM   550  C CA   . ILE   A 1 109 ? -26.76551 -13.16511 -26.97487 1.000 42.59138 ? 686 ILE   A CA   1 
ATOM   551  C C    . ILE   A 1 109 ? -27.26974 -14.60318 -26.94109 1.000 43.44416 ? 686 ILE   A C    1 
ATOM   552  O O    . ILE   A 1 109 ? -28.31616 -14.91657 -27.52729 1.000 42.46013 ? 686 ILE   A O    1 
ATOM   553  C CB   . ILE   A 1 109 ? -27.53930 -12.28214 -25.97863 1.000 43.31099 ? 686 ILE   A CB   1 
ATOM   554  C CG1  . ILE   A 1 109 ? -27.00237 -10.83513 -26.01910 1.000 41.83764 ? 686 ILE   A CG1  1 
ATOM   555  C CG2  . ILE   A 1 109 ? -27.42847 -12.86987 -24.56782 1.000 42.14665 ? 686 ILE   A CG2  1 
ATOM   556  C CD1  . ILE   A 1 109 ? -27.69273 -9.87879  -25.05775 1.000 40.11395 ? 686 ILE   A CD1  1 
ATOM   557  N N    . ILE   A 1 110 ? -26.49911 -15.47283 -26.28651 1.000 36.97876 ? 687 ILE   A N    1 
ATOM   558  C CA   . ILE   A 1 110 ? -26.93881 -16.80603 -25.87830 1.000 38.27647 ? 687 ILE   A CA   1 
ATOM   559  C C    . ILE   A 1 110 ? -27.28012 -16.75644 -24.38886 1.000 38.24806 ? 687 ILE   A C    1 
ATOM   560  O O    . ILE   A 1 110 ? -26.39424 -16.58612 -23.54261 1.000 38.19242 ? 687 ILE   A O    1 
ATOM   561  C CB   . ILE   A 1 110 ? -25.86306 -17.85603 -26.17680 1.000 39.57493 ? 687 ILE   A CB   1 
ATOM   562  C CG1  . ILE   A 1 110 ? -25.54142 -17.84445 -27.67986 1.000 39.39062 ? 687 ILE   A CG1  1 
ATOM   563  C CG2  . ILE   A 1 110 ? -26.33129 -19.22053 -25.74629 1.000 39.69476 ? 687 ILE   A CG2  1 
ATOM   564  C CD1  . ILE   A 1 110 ? -24.32528 -18.68700 -28.09357 1.000 41.39369 ? 687 ILE   A CD1  1 
ATOM   565  N N    . SER   A 1 111 ? -28.56203 -16.93320 -24.05780 1.000 47.23956 ? 688 SER   A N    1 
ATOM   566  C CA   . SER   A 1 111 ? -29.05822 -16.75672 -22.69448 1.000 48.06393 ? 688 SER   A CA   1 
ATOM   567  C C    . SER   A 1 111 ? -30.11124 -17.79918 -22.32424 1.000 48.48506 ? 688 SER   A C    1 
ATOM   568  O O    . SER   A 1 111 ? -31.21549 -17.76188 -22.88009 1.000 48.85168 ? 688 SER   A O    1 
ATOM   569  C CB   . SER   A 1 111 ? -29.64029 -15.34138 -22.55994 1.000 48.02157 ? 688 SER   A CB   1 
ATOM   570  O OG   . SER   A 1 111 ? -30.38294 -15.15969 -21.36506 1.000 49.24125 ? 688 SER   A OG   1 
ATOM   571  N N    . PRO   A 1 112 ? -29.83071 -18.75036 -21.39708 1.000 44.50424 ? 689 PRO   A N    1 
ATOM   572  C CA   . PRO   A 1 112 ? -28.56151 -19.01723 -20.70772 1.000 45.04163 ? 689 PRO   A CA   1 
ATOM   573  C C    . PRO   A 1 112 ? -27.53230 -19.63114 -21.62291 1.000 44.38368 ? 689 PRO   A C    1 
ATOM   574  O O    . PRO   A 1 112 ? -27.90806 -20.34815 -22.53407 1.000 46.08729 ? 689 PRO   A O    1 
ATOM   575  C CB   . PRO   A 1 112 ? -28.94721 -20.02196 -19.61399 1.000 44.88965 ? 689 PRO   A CB   1 
ATOM   576  C CG   . PRO   A 1 112 ? -30.14402 -20.69199 -20.12262 1.000 45.27693 ? 689 PRO   A CG   1 
ATOM   577  C CD   . PRO   A 1 112 ? -30.90000 -19.63034 -20.89439 1.000 45.28898 ? 689 PRO   A CD   1 
ATOM   578  N N    . CYS   A 1 113 ? -26.28086 -19.35105 -21.39037 1.000 41.73449 ? 690 CYS   A N    1 
ATOM   579  C CA   . CYS   A 1 113 ? -25.23107 -20.06103 -22.08639 1.000 42.81758 ? 690 CYS   A CA   1 
ATOM   580  C C    . CYS   A 1 113 ? -24.76242 -21.24352 -21.25017 1.000 43.87157 ? 690 CYS   A C    1 
ATOM   581  O O    . CYS   A 1 113 ? -25.03013 -21.31244 -20.04939 1.000 43.43086 ? 690 CYS   A O    1 
ATOM   582  C CB   . CYS   A 1 113 ? -24.06544 -19.12117 -22.37123 1.000 42.97663 ? 690 CYS   A CB   1 
ATOM   583  S SG   . CYS   A 1 113 ? -23.33111 -18.44164 -20.88406 1.000 43.30586 ? 690 CYS   A SG   1 
ATOM   584  N N    . PRO   A 1 114 ? -24.05592 -22.20035 -21.84974 1.000 45.72077 ? 691 PRO   A N    1 
ATOM   585  C CA   . PRO   A 1 114 ? -23.49004 -23.28949 -21.04377 1.000 46.29880 ? 691 PRO   A CA   1 
ATOM   586  C C    . PRO   A 1 114 ? -22.54835 -22.72674 -19.99086 1.000 46.31298 ? 691 PRO   A C    1 
ATOM   587  O O    . PRO   A 1 114 ? -21.90486 -21.69125 -20.18924 1.000 46.01205 ? 691 PRO   A O    1 
ATOM   588  C CB   . PRO   A 1 114 ? -22.73252 -24.14648 -22.06950 1.000 46.65289 ? 691 PRO   A CB   1 
ATOM   589  C CG   . PRO   A 1 114 ? -23.23761 -23.70765 -23.39970 1.000 47.71786 ? 691 PRO   A CG   1 
ATOM   590  C CD   . PRO   A 1 114 ? -23.63192 -22.27345 -23.25581 1.000 45.41877 ? 691 PRO   A CD   1 
ATOM   591  N N    . TRP   A 1 115 ? -22.47518 -23.40825 -18.84806 1.000 49.92971 ? 692 TRP   A N    1 
ATOM   592  C CA   . TRP   A 1 115 ? -21.48486 -22.99283 -17.86229 1.000 50.28253 ? 692 TRP   A CA   1 
ATOM   593  C C    . TRP   A 1 115 ? -20.06674 -23.28423 -18.35211 1.000 51.48770 ? 692 TRP   A C    1 
ATOM   594  O O    . TRP   A 1 115 ? -19.16563 -22.45071 -18.19374 1.000 51.65638 ? 692 TRP   A O    1 
ATOM   595  C CB   . TRP   A 1 115 ? -21.73779 -23.66917 -16.51403 1.000 51.02187 ? 692 TRP   A CB   1 
ATOM   596  C CG   . TRP   A 1 115 ? -20.80787 -23.12558 -15.47445 1.000 50.92415 ? 692 TRP   A CG   1 
ATOM   597  C CD1  . TRP   A 1 115 ? -19.68771 -23.73006 -14.97376 1.000 50.94210 ? 692 TRP   A CD1  1 
ATOM   598  C CD2  . TRP   A 1 115 ? -20.89166 -21.83929 -14.84068 1.000 49.06404 ? 692 TRP   A CD2  1 
ATOM   599  N NE1  . TRP   A 1 115 ? -19.08178 -22.90568 -14.05136 1.000 50.67220 ? 692 TRP   A NE1  1 
ATOM   600  C CE2  . TRP   A 1 115 ? -19.79631 -21.73788 -13.95528 1.000 49.23351 ? 692 TRP   A CE2  1 
ATOM   601  C CE3  . TRP   A 1 115 ? -21.78856 -20.76891 -14.93483 1.000 48.63287 ? 692 TRP   A CE3  1 
ATOM   602  C CZ2  . TRP   A 1 115 ? -19.57416 -20.60763 -13.16354 1.000 48.78263 ? 692 TRP   A CZ2  1 
ATOM   603  C CZ3  . TRP   A 1 115 ? -21.57267 -19.64622 -14.15054 1.000 48.27763 ? 692 TRP   A CZ3  1 
ATOM   604  C CH2  . TRP   A 1 115 ? -20.47014 -19.57494 -13.26855 1.000 48.67271 ? 692 TRP   A CH2  1 
ATOM   605  N N    . VAL   A 1 116 ? -19.84789 -24.46057 -18.94220 1.000 51.56087 ? 693 VAL   A N    1 
ATOM   606  C CA   . VAL   A 1 116 ? -18.58268 -24.80702 -19.57951 1.000 51.86935 ? 693 VAL   A CA   1 
ATOM   607  C C    . VAL   A 1 116 ? -18.75499 -24.69198 -21.08727 1.000 53.40519 ? 693 VAL   A C    1 
ATOM   608  O O    . VAL   A 1 116 ? -19.72421 -25.22120 -21.64903 1.000 53.94329 ? 693 VAL   A O    1 
ATOM   609  C CB   . VAL   A 1 116 ? -18.13511 -26.22402 -19.19613 1.000 53.89690 ? 693 VAL   A CB   1 
ATOM   610  C CG1  . VAL   A 1 116 ? -16.67206 -26.43340 -19.57051 1.000 54.84726 ? 693 VAL   A CG1  1 
ATOM   611  C CG2  . VAL   A 1 116 ? -18.37166 -26.46377 -17.71453 1.000 53.34242 ? 693 VAL   A CG2  1 
ATOM   612  N N    . VAL   A 1 117 ? -17.82409 -23.99592 -21.74109 1.000 50.39111 ? 694 VAL   A N    1 
ATOM   613  C CA   . VAL   A 1 117 ? -17.78713 -23.93413 -23.19730 1.000 50.21929 ? 694 VAL   A CA   1 
ATOM   614  C C    . VAL   A 1 117 ? -17.11860 -25.19832 -23.71561 1.000 51.75139 ? 694 VAL   A C    1 
ATOM   615  O O    . VAL   A 1 117 ? -16.06494 -25.60066 -23.21334 1.000 52.43278 ? 694 VAL   A O    1 
ATOM   616  C CB   . VAL   A 1 117 ? -17.03191 -22.68347 -23.67116 1.000 52.06545 ? 694 VAL   A CB   1 
ATOM   617  C CG1  . VAL   A 1 117 ? -15.57575 -22.76620 -23.23414 1.000 53.74786 ? 694 VAL   A CG1  1 
ATOM   618  C CG2  . VAL   A 1 117 ? -17.11339 -22.54554 -25.19017 1.000 50.93447 ? 694 VAL   A CG2  1 
ATOM   619  N N    . THR   A 1 118 ? -17.71600 -25.81266 -24.72982 1.000 55.31511 ? 695 THR   A N    1 
ATOM   620  C CA   . THR   A 1 118 ? -17.25309 -27.06158 -25.31628 1.000 57.08649 ? 695 THR   A CA   1 
ATOM   621  C C    . THR   A 1 118 ? -16.85545 -26.87499 -26.77259 1.000 57.75295 ? 695 THR   A C    1 
ATOM   622  O O    . THR   A 1 118 ? -17.33882 -25.95576 -27.44783 1.000 57.07611 ? 695 THR   A O    1 
ATOM   623  C CB   . THR   A 1 118 ? -18.35000 -28.12740 -25.23782 1.000 56.98256 ? 695 THR   A CB   1 
ATOM   624  O OG1  . THR   A 1 118 ? -19.43146 -27.74588 -26.09954 1.000 56.19340 ? 695 THR   A OG1  1 
ATOM   625  C CG2  . THR   A 1 118 ? -18.86664 -28.22369 -23.80282 1.000 56.54314 ? 695 THR   A CG2  1 
ATOM   626  N N    . PRO   A 1 119 ? -15.97483 -27.73235 -27.29833 1.000 61.51842 ? 696 PRO   A N    1 
ATOM   627  C CA   . PRO   A 1 119 ? -15.67242 -27.65295 -28.73637 1.000 61.53286 ? 696 PRO   A CA   1 
ATOM   628  C C    . PRO   A 1 119 ? -16.90357 -27.86674 -29.59121 1.000 61.08911 ? 696 PRO   A C    1 
ATOM   629  O O    . PRO   A 1 119 ? -17.04593 -27.21801 -30.63303 1.000 61.48663 ? 696 PRO   A O    1 
ATOM   630  C CB   . PRO   A 1 119 ? -14.62143 -28.75361 -28.94040 1.000 63.45077 ? 696 PRO   A CB   1 
ATOM   631  C CG   . PRO   A 1 119 ? -14.76534 -29.66441 -27.78395 1.000 63.63952 ? 696 PRO   A CG   1 
ATOM   632  C CD   . PRO   A 1 119 ? -15.21923 -28.80488 -26.63161 1.000 63.19692 ? 696 PRO   A CD   1 
ATOM   633  N N    . GLU   A 1 120 ? -17.80547 -28.75820 -29.16961 1.000 67.55441 ? 697 GLU   A N    1 
ATOM   634  C CA   . GLU   A 1 120 ? -19.08774 -28.89869 -29.85162 1.000 67.37191 ? 697 GLU   A CA   1 
ATOM   635  C C    . GLU   A 1 120 ? -19.84398 -27.58131 -29.85747 1.000 65.83774 ? 697 GLU   A C    1 
ATOM   636  O O    . GLU   A 1 120 ? -20.47520 -27.22166 -30.85512 1.000 65.55017 ? 697 GLU   A O    1 
ATOM   637  C CB   . GLU   A 1 120 ? -19.93935 -29.98366 -29.18486 1.000 67.12918 ? 697 GLU   A CB   1 
ATOM   638  C CG   . GLU   A 1 120 ? -19.32414 -31.38953 -29.17852 0.900 69.55266 ? 697 GLU   A CG   1 
ATOM   639  C CD   . GLU   A 1 120 ? -18.39135 -31.62458 -27.99270 0.800 70.66033 ? 697 GLU   A CD   1 
ATOM   640  O OE1  . GLU   A 1 120 ? -17.23354 -31.15460 -28.02382 0.800 70.16053 ? 697 GLU   A OE1  1 
ATOM   641  O OE2  . GLU   A 1 120 ? -18.82130 -32.27701 -27.01931 0.700 72.65706 ? 697 GLU   A OE2  1 
ATOM   642  N N    . PHE   A 1 121 ? -19.81016 -26.85949 -28.73913 1.000 49.23258 ? 698 PHE   A N    1 
ATOM   643  C CA   . PHE   A 1 121 ? -20.50308 -25.57996 -28.65637 1.000 46.56539 ? 698 PHE   A CA   1 
ATOM   644  C C    . PHE   A 1 121 ? -19.93460 -24.57997 -29.65038 1.000 46.39834 ? 698 PHE   A C    1 
ATOM   645  O O    . PHE   A 1 121 ? -20.68179 -23.80808 -30.26072 1.000 45.51519 ? 698 PHE   A O    1 
ATOM   646  C CB   . PHE   A 1 121 ? -20.41087 -25.02007 -27.23836 1.000 45.27976 ? 698 PHE   A CB   1 
ATOM   647  C CG   . PHE   A 1 121 ? -20.95972 -23.63519 -27.10663 1.000 43.39243 ? 698 PHE   A CG   1 
ATOM   648  C CD1  . PHE   A 1 121 ? -22.30713 -23.43766 -26.86228 1.000 42.31185 ? 698 PHE   A CD1  1 
ATOM   649  C CD2  . PHE   A 1 121 ? -20.13601 -22.53180 -27.24254 1.000 42.91290 ? 698 PHE   A CD2  1 
ATOM   650  C CE1  . PHE   A 1 121 ? -22.83428 -22.15831 -26.74605 1.000 40.69850 ? 698 PHE   A CE1  1 
ATOM   651  C CE2  . PHE   A 1 121 ? -20.65131 -21.22770 -27.12149 1.000 42.55573 ? 698 PHE   A CE2  1 
ATOM   652  C CZ   . PHE   A 1 121 ? -22.00399 -21.04175 -26.87443 1.000 41.60293 ? 698 PHE   A CZ   1 
ATOM   653  N N    . LEU   A 1 122 ? -18.61345 -24.56664 -29.81802 1.000 54.80775 ? 699 LEU   A N    1 
ATOM   654  C CA   . LEU   A 1 122 ? -18.00992 -23.64325 -30.77166 1.000 55.48307 ? 699 LEU   A CA   1 
ATOM   655  C C    . LEU   A 1 122 ? -18.52118 -23.89714 -32.18660 1.000 56.46428 ? 699 LEU   A C    1 
ATOM   656  O O    . LEU   A 1 122 ? -18.80337 -22.95390 -32.93808 1.000 55.77346 ? 699 LEU   A O    1 
ATOM   657  C CB   . LEU   A 1 122 ? -16.48809 -23.75820 -30.71047 1.000 56.45773 ? 699 LEU   A CB   1 
ATOM   658  C CG   . LEU   A 1 122 ? -15.87815 -23.29976 -29.37856 1.000 57.18523 ? 699 LEU   A CG   1 
ATOM   659  C CD1  . LEU   A 1 122 ? -14.36971 -23.12896 -29.50826 1.000 58.82390 ? 699 LEU   A CD1  1 
ATOM   660  C CD2  . LEU   A 1 122 ? -16.53206 -22.01389 -28.85169 1.000 54.86776 ? 699 LEU   A CD2  1 
ATOM   661  N N    . GLU   A 1 123 ? -18.68728 -25.16372 -32.55485 1.000 79.76092 ? 700 GLU   A N    1 
ATOM   662  C CA   . GLU   A 1 123 ? -19.05895 -25.47586 -33.92594 1.000 79.90591 ? 700 GLU   A CA   1 
ATOM   663  C C    . GLU   A 1 123 ? -20.53381 -25.19342 -34.18797 1.000 79.11165 ? 700 GLU   A C    1 
ATOM   664  O O    . GLU   A 1 123 ? -20.89149 -24.68529 -35.25628 1.000 80.85619 ? 700 GLU   A O    1 
ATOM   665  C CB   . GLU   A 1 123 ? -18.68451 -26.92301 -34.22083 1.000 81.31745 ? 700 GLU   A CB   1 
ATOM   666  C CG   . GLU   A 1 123 ? -17.18638 -27.11375 -34.07232 1.000 82.56794 ? 700 GLU   A CG   1 
ATOM   667  C CD   . GLU   A 1 123 ? -16.75398 -28.56191 -34.05978 1.000 87.68010 ? 700 GLU   A CD   1 
ATOM   668  O OE1  . GLU   A 1 123 ? -17.50822 -29.42568 -34.55546 1.000 89.60708 ? 700 GLU   A OE1  1 
ATOM   669  O OE2  . GLU   A 1 123 ? -15.64715 -28.84240 -33.54956 1.000 89.19308 ? 700 GLU   A OE2  1 
ATOM   670  N N    . LYS   A 1 124 ? -21.39984 -25.48718 -33.22057 1.000 58.05392 ? 701 LYS   A N    1 
ATOM   671  C CA   . LYS   A 1 124 ? -22.82689 -25.24090 -33.39947 1.000 56.77097 ? 701 LYS   A CA   1 
ATOM   672  C C    . LYS   A 1 124 ? -23.09490 -23.79136 -33.79014 1.000 56.86451 ? 701 LYS   A C    1 
ATOM   673  O O    . LYS   A 1 124 ? -23.97598 -23.51383 -34.61142 1.000 57.02045 ? 701 LYS   A O    1 
ATOM   674  C CB   . LYS   A 1 124 ? -23.58598 -25.59973 -32.11763 1.000 55.88706 ? 701 LYS   A CB   1 
ATOM   675  C CG   . LYS   A 1 124 ? -25.09422 -25.36093 -32.19280 1.000 56.17832 ? 701 LYS   A CG   1 
ATOM   676  C CD   . LYS   A 1 124 ? -25.80999 -25.63590 -30.86335 1.000 55.43301 ? 701 LYS   A CD   1 
ATOM   677  C CE   . LYS   A 1 124 ? -27.32128 -25.41608 -30.99259 1.000 55.51643 ? 701 LYS   A CE   1 
ATOM   678  N NZ   . LYS   A 1 124 ? -28.06797 -25.53788 -29.69757 1.000 53.73202 ? 701 LYS   A NZ   1 
ATOM   679  N N    . TYR   A 1 125 ? -22.35638 -22.85211 -33.20136 1.000 55.12868 ? 702 TYR   A N    1 
ATOM   680  C CA   . TYR   A 1 125 ? -22.56550 -21.42757 -33.42287 1.000 54.75850 ? 702 TYR   A CA   1 
ATOM   681  C C    . TYR   A 1 125 ? -21.50698 -20.82215 -34.33385 1.000 54.20835 ? 702 TYR   A C    1 
ATOM   682  O O    . TYR   A 1 125 ? -21.47028 -19.59516 -34.49698 1.000 52.64618 ? 702 TYR   A O    1 
ATOM   683  C CB   . TYR   A 1 125 ? -22.60518 -20.68617 -32.08269 1.000 52.37701 ? 702 TYR   A CB   1 
ATOM   684  C CG   . TYR   A 1 125 ? -23.80014 -21.05209 -31.24598 1.000 53.77901 ? 702 TYR   A CG   1 
ATOM   685  C CD1  . TYR   A 1 125 ? -25.02001 -20.42366 -31.44674 1.000 54.68959 ? 702 TYR   A CD1  1 
ATOM   686  C CD2  . TYR   A 1 125 ? -23.71871 -22.03810 -30.26813 1.000 55.07041 ? 702 TYR   A CD2  1 
ATOM   687  C CE1  . TYR   A 1 125 ? -26.13048 -20.75667 -30.69728 1.000 56.87022 ? 702 TYR   A CE1  1 
ATOM   688  C CE2  . TYR   A 1 125 ? -24.83280 -22.37646 -29.49854 1.000 57.54552 ? 702 TYR   A CE2  1 
ATOM   689  C CZ   . TYR   A 1 125 ? -26.03474 -21.72638 -29.72447 1.000 58.46922 ? 702 TYR   A CZ   1 
ATOM   690  O OH   . TYR   A 1 125 ? -27.15517 -22.03606 -28.99111 1.000 61.26487 ? 702 TYR   A OH   1 
ATOM   691  N N    . LYS   A 1 126 ? -20.66691 -21.66050 -34.94286 1.000 58.46833 ? 703 LYS   A N    1 
ATOM   692  C CA   . LYS   A 1 126 ? -19.62541 -21.22604 -35.86403 1.000 57.03110 ? 703 LYS   A CA   1 
ATOM   693  C C    . LYS   A 1 126 ? -18.82786 -20.07303 -35.26006 1.000 54.98720 ? 703 LYS   A C    1 
ATOM   694  O O    . LYS   A 1 126 ? -18.75946 -18.96981 -35.80414 1.000 55.42638 ? 703 LYS   A O    1 
ATOM   695  C CB   . LYS   A 1 126 ? -20.22681 -20.84772 -37.22461 1.000 58.75305 ? 703 LYS   A CB   1 
ATOM   696  C CG   . LYS   A 1 126 ? -20.80234 -22.02330 -37.99785 1.000 60.90295 ? 703 LYS   A CG   1 
ATOM   697  C CD   . LYS   A 1 126 ? -21.96075 -21.58837 -38.89437 1.000 62.33456 ? 703 LYS   A CD   1 
ATOM   698  C CE   . LYS   A 1 126 ? -23.30388 -22.07794 -38.35189 1.000 63.24758 ? 703 LYS   A CE   1 
ATOM   699  N NZ   . LYS   A 1 126 ? -24.47370 -21.44482 -39.04099 1.000 63.31635 ? 703 LYS   A NZ   1 
ATOM   700  N N    . ILE   A 1 127 ? -18.23839 -20.34941 -34.09272 1.000 55.03389 ? 704 ILE   A N    1 
ATOM   701  C CA   . ILE   A 1 127 ? -17.42365 -19.37530 -33.37258 1.000 52.70001 ? 704 ILE   A CA   1 
ATOM   702  C C    . ILE   A 1 127 ? -15.97834 -19.52495 -33.81274 1.000 49.61502 ? 704 ILE   A C    1 
ATOM   703  O O    . ILE   A 1 127 ? -15.41452 -20.62492 -33.75850 1.000 48.29394 ? 704 ILE   A O    1 
ATOM   704  C CB   . ILE   A 1 127 ? -17.54336 -19.56291 -31.84818 1.000 51.05399 ? 704 ILE   A CB   1 
ATOM   705  C CG1  . ILE   A 1 127 ? -18.92715 -19.15066 -31.35163 1.000 53.86395 ? 704 ILE   A CG1  1 
ATOM   706  C CG2  . ILE   A 1 127 ? -16.43647 -18.79582 -31.11792 1.000 48.13326 ? 704 ILE   A CG2  1 
ATOM   707  C CD1  . ILE   A 1 127 ? -19.26720 -19.72553 -29.98967 1.000 53.15064 ? 704 ILE   A CD1  1 
ATOM   708  N N    . ASP   A 1 128 ? -15.36641 -18.42047 -34.22114 1.000 50.27623 ? 705 ASP   A N    1 
ATOM   709  C CA   . ASP   A 1 128 ? -13.95585 -18.46762 -34.56158 1.000 47.75123 ? 705 ASP   A CA   1 
ATOM   710  C C    . ASP   A 1 128 ? -13.06616 -18.27578 -33.35327 1.000 45.43959 ? 705 ASP   A C    1 
ATOM   711  O O    . ASP   A 1 128 ? -11.98798 -18.87748 -33.27908 1.000 44.46604 ? 705 ASP   A O    1 
ATOM   712  C CB   . ASP   A 1 128 ? -13.63151 -17.40454 -35.60832 1.000 48.19115 ? 705 ASP   A CB   1 
ATOM   713  C CG   . ASP   A 1 128 ? -14.46883 -17.55744 -36.85141 1.000 50.02395 ? 705 ASP   A CG   1 
ATOM   714  O OD1  . ASP   A 1 128 ? -14.45957 -18.67303 -37.42597 1.000 50.48762 ? 705 ASP   A OD1  1 
ATOM   715  O OD2  . ASP   A 1 128 ? -15.15794 -16.58221 -37.22535 1.000 51.02516 ? 705 ASP   A OD2  1 
ATOM   716  N N    . TYR   A 1 129 ? -13.49835 -17.46584 -32.39840 1.000 46.49051 ? 706 TYR   A N    1 
ATOM   717  C CA   . TYR   A 1 129 ? -12.64701 -17.08807 -31.28473 1.000 44.53334 ? 706 TYR   A CA   1 
ATOM   718  C C    . TYR   A 1 129 ? -13.47292 -16.96190 -30.01890 1.000 44.48462 ? 706 TYR   A C    1 
ATOM   719  O O    . TYR   A 1 129 ? -14.64749 -16.59272 -30.05346 1.000 47.86330 ? 706 TYR   A O    1 
ATOM   720  C CB   . TYR   A 1 129 ? -11.94304 -15.75767 -31.53561 1.000 45.32369 ? 706 TYR   A CB   1 
ATOM   721  C CG   . TYR   A 1 129 ? -10.97637 -15.75353 -32.67841 1.000 44.81382 ? 706 TYR   A CG   1 
ATOM   722  C CD1  . TYR   A 1 129 ? -11.39200 -15.44445 -33.96639 1.000 45.54927 ? 706 TYR   A CD1  1 
ATOM   723  C CD2  . TYR   A 1 129 ? -9.63849  -16.03766 -32.46592 1.000 42.96269 ? 706 TYR   A CD2  1 
ATOM   724  C CE1  . TYR   A 1 129 ? -10.49855 -15.42647 -35.00573 1.000 44.99435 ? 706 TYR   A CE1  1 
ATOM   725  C CE2  . TYR   A 1 129 ? -8.74428  -16.02189 -33.48685 1.000 43.31260 ? 706 TYR   A CE2  1 
ATOM   726  C CZ   . TYR   A 1 129 ? -9.17449  -15.71820 -34.76044 1.000 44.20160 ? 706 TYR   A CZ   1 
ATOM   727  O OH   . TYR   A 1 129 ? -8.25603  -15.70662 -35.77951 1.000 43.99153 ? 706 TYR   A OH   1 
ATOM   728  N N    . VAL   A 1 130 ? -12.83823 -17.26163 -28.89731 1.000 43.26056 ? 707 VAL   A N    1 
ATOM   729  C CA   . VAL   A 1 130 ? -13.42564 -17.06547 -27.58396 1.000 42.65338 ? 707 VAL   A CA   1 
ATOM   730  C C    . VAL   A 1 130 ? -12.59962 -16.00020 -26.88386 1.000 42.86208 ? 707 VAL   A C    1 
ATOM   731  O O    . VAL   A 1 130 ? -11.39622 -16.19264 -26.66689 1.000 43.38756 ? 707 VAL   A O    1 
ATOM   732  C CB   . VAL   A 1 130 ? -13.45247 -18.37054 -26.77192 1.000 41.51717 ? 707 VAL   A CB   1 
ATOM   733  C CG1  . VAL   A 1 130 ? -13.41353 -18.05415 -25.26559 1.000 41.62393 ? 707 VAL   A CG1  1 
ATOM   734  C CG2  . VAL   A 1 130 ? -14.70240 -19.15058 -27.09301 1.000 43.42558 ? 707 VAL   A CG2  1 
ATOM   735  N N    . ALA   A 1 131 ? -13.23539 -14.88711 -26.52525 1.000 39.22978 ? 708 ALA   A N    1 
ATOM   736  C CA   . ALA   A 1 131 ? -12.56431 -13.78179 -25.83885 1.000 40.72149 ? 708 ALA   A CA   1 
ATOM   737  C C    . ALA   A 1 131 ? -12.87506 -13.83057 -24.34512 1.000 39.97253 ? 708 ALA   A C    1 
ATOM   738  O O    . ALA   A 1 131 ? -14.04962 -13.84956 -23.96636 1.000 40.75793 ? 708 ALA   A O    1 
ATOM   739  C CB   . ALA   A 1 131 ? -13.00810 -12.43112 -26.41415 1.000 43.59584 ? 708 ALA   A CB   1 
ATOM   740  N N    . HIS   A 1 132 ? -11.83346 -13.83160 -23.50774 1.000 48.81603 ? 709 HIS   A N    1 
ATOM   741  C CA   . HIS   A 1 132 ? -12.00890 -13.90752 -22.05385 1.000 49.00056 ? 709 HIS   A CA   1 
ATOM   742  C C    . HIS   A 1 132 ? -10.74011 -13.44368 -21.35014 1.000 50.02604 ? 709 HIS   A C    1 
ATOM   743  O O    . HIS   A 1 132 ? -9.63573  -13.59034 -21.87632 1.000 49.78713 ? 709 HIS   A O    1 
ATOM   744  C CB   . HIS   A 1 132 ? -12.36030 -15.33153 -21.59327 1.000 47.56439 ? 709 HIS   A CB   1 
ATOM   745  N N    . ASP   A 1 133 ? -10.90792 -12.91980 -20.14026 1.000 71.75679 ? 710 ASP   A N    1 
ATOM   746  C CA   . ASP   A 1 133 ? -9.77570  -12.39487 -19.37495 1.000 73.79750 ? 710 ASP   A CA   1 
ATOM   747  C C    . ASP   A 1 133 ? -8.84560  -13.48790 -18.84734 1.000 72.73475 ? 710 ASP   A C    1 
ATOM   748  O O    . ASP   A 1 133 ? -9.13509  -14.67957 -18.96571 1.000 70.83107 ? 710 ASP   A O    1 
ATOM   749  C CB   . ASP   A 1 133 ? -10.28947 -11.55724 -18.21425 1.000 75.71371 ? 710 ASP   A CB   1 
ATOM   750  C CG   . ASP   A 1 133 ? -11.52080 -12.15421 -17.59094 1.000 75.21467 ? 710 ASP   A CG   1 
ATOM   751  O OD1  . ASP   A 1 133 ? -11.44003 -13.31602 -17.15049 1.000 74.48073 ? 710 ASP   A OD1  1 
ATOM   752  O OD2  . ASP   A 1 133 ? -12.56883 -11.47876 -17.55302 1.000 77.50017 ? 710 ASP   A OD2  1 
ATOM   753  N N    . ASP   A 1 144 ? -5.17594  -24.91353 -17.46652 1.000 93.43327 ? 739 ASP   A N    1 
ATOM   754  C CA   . ASP   A 1 144 ? -6.35220  -24.11148 -17.15928 1.000 92.75983 ? 739 ASP   A CA   1 
ATOM   755  C C    . ASP   A 1 144 ? -7.57362  -24.65037 -17.90606 1.000 92.53236 ? 739 ASP   A C    1 
ATOM   756  O O    . ASP   A 1 144 ? -7.44708  -25.49282 -18.79569 1.000 92.59733 ? 739 ASP   A O    1 
ATOM   757  C CB   . ASP   A 1 144 ? -6.09966  -22.61996 -17.48456 1.000 90.26033 ? 739 ASP   A CB   1 
ATOM   758  C CG   . ASP   A 1 144 ? -5.88306  -22.33828 -18.98692 1.000 87.52993 ? 739 ASP   A CG   1 
ATOM   759  O OD1  . ASP   A 1 144 ? -6.89107  -22.17252 -19.70724 1.000 86.28698 ? 739 ASP   A OD1  1 
ATOM   760  O OD2  . ASP   A 1 144 ? -4.71425  -22.23389 -19.43289 1.000 86.99174 ? 739 ASP   A OD2  1 
ATOM   761  N N    . ILE   A 1 145 ? -8.76424  -24.18401 -17.52443 1.000 73.12189 ? 740 ILE   A N    1 
ATOM   762  C CA   . ILE   A 1 145 ? -9.98811  -24.63775 -18.16798 1.000 73.81300 ? 740 ILE   A CA   1 
ATOM   763  C C    . ILE   A 1 145 ? -10.08901 -24.18415 -19.62388 1.000 74.66948 ? 740 ILE   A C    1 
ATOM   764  O O    . ILE   A 1 145 ? -10.99772 -24.62329 -20.33503 1.000 76.26622 ? 740 ILE   A O    1 
ATOM   765  C CB   . ILE   A 1 145 ? -11.22271 -24.16626 -17.36540 1.000 74.10854 ? 740 ILE   A CB   1 
ATOM   766  N N    . TYR   A 1 146 ? -9.17112  -23.32689 -20.08653 1.000 64.05346 ? 741 TYR   A N    1 
ATOM   767  C CA   . TYR   A 1 146 ? -9.17891  -22.79420 -21.44734 1.000 63.61136 ? 741 TYR   A CA   1 
ATOM   768  C C    . TYR   A 1 146 ? -8.03424  -23.31380 -22.32081 1.000 63.99199 ? 741 TYR   A C    1 
ATOM   769  O O    . TYR   A 1 146 ? -7.90147  -22.87729 -23.47073 1.000 63.21627 ? 741 TYR   A O    1 
ATOM   770  C CB   . TYR   A 1 146 ? -9.14165  -21.25778 -21.41140 1.000 61.01366 ? 741 TYR   A CB   1 
ATOM   771  N N    . ALA   A 1 147 ? -7.21719  -24.24373 -21.81556 1.000 51.68633 ? 742 ALA   A N    1 
ATOM   772  C CA   . ALA   A 1 147 ? -6.05852  -24.71786 -22.56512 1.000 51.89425 ? 742 ALA   A CA   1 
ATOM   773  C C    . ALA   A 1 147 ? -6.45249  -25.24100 -23.93874 1.000 55.31711 ? 742 ALA   A C    1 
ATOM   774  O O    . ALA   A 1 147 ? -5.75581  -24.99655 -24.93199 1.000 55.01559 ? 742 ALA   A O    1 
ATOM   775  C CB   . ALA   A 1 147 ? -5.33698  -25.81030 -21.78333 1.000 53.69377 ? 742 ALA   A CB   1 
ATOM   776  N N    . TRP   A 1 148 ? -7.55600  -25.98130 -24.01371 1.000 60.65523 ? 743 TRP   A N    1 
ATOM   777  C CA   . TRP   A 1 148 ? -7.98075  -26.50306 -25.30310 1.000 62.08788 ? 743 TRP   A CA   1 
ATOM   778  C C    . TRP   A 1 148 ? -8.31521  -25.38017 -26.28167 1.000 61.06670 ? 743 TRP   A C    1 
ATOM   779  O O    . TRP   A 1 148 ? -8.22037  -25.57922 -27.49877 1.000 61.88691 ? 743 TRP   A O    1 
ATOM   780  C CB   . TRP   A 1 148 ? -9.17065  -27.43271 -25.11063 1.000 64.45598 ? 743 TRP   A CB   1 
ATOM   781  C CG   . TRP   A 1 148 ? -10.39823 -26.71755 -24.69119 1.000 63.46005 ? 743 TRP   A CG   1 
ATOM   782  C CD1  . TRP   A 1 148 ? -10.76276 -26.36932 -23.42087 1.000 63.24881 ? 743 TRP   A CD1  1 
ATOM   783  C CD2  . TRP   A 1 148 ? -11.43595 -26.25429 -25.55071 1.000 62.33810 ? 743 TRP   A CD2  1 
ATOM   784  N NE1  . TRP   A 1 148 ? -11.97124 -25.71573 -23.44340 1.000 63.17715 ? 743 TRP   A NE1  1 
ATOM   785  C CE2  . TRP   A 1 148 ? -12.40473 -25.63769 -24.74155 1.000 62.96052 ? 743 TRP   A CE2  1 
ATOM   786  C CE3  . TRP   A 1 148 ? -11.64257 -26.30898 -26.93103 1.000 62.04675 ? 743 TRP   A CE3  1 
ATOM   787  C CZ2  . TRP   A 1 148 ? -13.55847 -25.07972 -25.26715 1.000 63.21416 ? 743 TRP   A CZ2  1 
ATOM   788  C CZ3  . TRP   A 1 148 ? -12.78200 -25.75693 -27.45025 1.000 60.78367 ? 743 TRP   A CZ3  1 
ATOM   789  C CH2  . TRP   A 1 148 ? -13.72826 -25.14782 -26.62399 1.000 61.84584 ? 743 TRP   A CH2  1 
ATOM   790  N N    . LEU   A 1 149 ? -8.70614  -24.19779 -25.77851 1.000 51.02784 ? 744 LEU   A N    1 
ATOM   791  C CA   . LEU   A 1 149 ? -8.96024  -23.05335 -26.65337 1.000 48.58021 ? 744 LEU   A CA   1 
ATOM   792  C C    . LEU   A 1 149 ? -7.66100  -22.44116 -27.14605 1.000 47.97587 ? 744 LEU   A C    1 
ATOM   793  O O    . LEU   A 1 149 ? -7.50742  -22.17415 -28.34298 1.000 48.05178 ? 744 LEU   A O    1 
ATOM   794  C CB   . LEU   A 1 149 ? -9.78688  -21.98548 -25.94401 1.000 45.29805 ? 744 LEU   A CB   1 
ATOM   795  C CG   . LEU   A 1 149 ? -11.24223 -22.27192 -25.58449 1.000 46.99659 ? 744 LEU   A CG   1 
ATOM   796  C CD1  . LEU   A 1 149 ? -11.66638 -21.33778 -24.43099 1.000 43.83165 ? 744 LEU   A CD1  1 
ATOM   797  C CD2  . LEU   A 1 149 ? -12.15054 -22.09279 -26.78800 1.000 45.44409 ? 744 LEU   A CD2  1 
ATOM   798  N N    . LYS   A 1 150 ? -6.70809  -22.21346 -26.24290 1.000 53.01594 ? 745 LYS   A N    1 
ATOM   799  C CA   . LYS   A 1 150 ? -5.39957  -21.77130 -26.70375 1.000 52.61091 ? 745 LYS   A CA   1 
ATOM   800  C C    . LYS   A 1 150 ? -4.82250  -22.75796 -27.71380 1.000 56.45234 ? 745 LYS   A C    1 
ATOM   801  O O    . LYS   A 1 150 ? -4.06224  -22.35881 -28.60317 1.000 57.06090 ? 745 LYS   A O    1 
ATOM   802  C CB   . LYS   A 1 150 ? -4.45040  -21.57481 -25.51923 1.000 49.31416 ? 745 LYS   A CB   1 
ATOM   803  C CG   . LYS   A 1 150 ? -4.96170  -20.54228 -24.50960 1.000 47.12389 ? 745 LYS   A CG   1 
ATOM   804  C CD   . LYS   A 1 150 ? -3.94068  -20.22308 -23.41835 1.000 45.84820 ? 745 LYS   A CD   1 
ATOM   805  C CE   . LYS   A 1 150 ? -4.55890  -19.32665 -22.33043 1.000 45.54179 ? 745 LYS   A CE   1 
ATOM   806  N NZ   . LYS   A 1 150 ? -3.65422  -19.21781 -21.12572 1.000 43.98392 ? 745 LYS   A NZ   1 
ATOM   807  N N    . ARG   A 1 151 ? -5.20900  -24.03700 -27.62100 1.000 57.49729 ? 746 ARG   A N    1 
ATOM   808  C CA   . ARG   A 1 151 ? -4.61200  -25.07100 -28.50100 1.000 60.62732 ? 746 ARG   A CA   1 
ATOM   809  C C    . ARG   A 1 151 ? -5.26400  -24.97000 -29.88200 1.000 60.76802 ? 746 ARG   A C    1 
ATOM   810  O O    . ARG   A 1 151 ? -4.55000  -25.20600 -30.85800 1.000 61.55837 ? 746 ARG   A O    1 
ATOM   811  C CB   . ARG   A 1 151 ? -4.73300  -26.44700 -27.84400 1.000 61.32171 ? 746 ARG   A CB   1 
ATOM   812  C CG   . ARG   A 1 151 ? -3.58600  -26.77800 -26.90200 1.000 61.15578 ? 746 ARG   A CG   1 
ATOM   813  C CD   . ARG   A 1 151 ? -3.64300  -28.21500 -26.43000 1.000 63.32305 ? 746 ARG   A CD   1 
ATOM   814  N NE   . ARG   A 1 151 ? -4.83100  -28.47700 -25.63500 1.000 63.46746 ? 746 ARG   A NE   1 
ATOM   815  C CZ   . ARG   A 1 151 ? -4.82200  -28.69800 -24.32700 1.000 62.31895 ? 746 ARG   A CZ   1 
ATOM   816  N NH1  . ARG   A 1 151 ? -3.77800  -28.33300 -23.60400 1.000 60.55244 ? 746 ARG   A NH1  1 
ATOM   817  N NH2  . ARG   A 1 151 ? -5.85200  -29.28500 -23.74700 1.000 63.96937 ? 746 ARG   A NH2  1 
ATOM   818  N N    . ALA   A 1 152 ? -6.55765  -24.67738 -29.95399 1.000 57.16529 ? 747 ALA   A N    1 
ATOM   819  C CA   . ALA   A 1 152 ? -7.19720  -24.44900 -31.23682 1.000 55.52929 ? 747 ALA   A CA   1 
ATOM   820  C C    . ALA   A 1 152 ? -6.81503  -23.10980 -31.84275 1.000 53.23183 ? 747 ALA   A C    1 
ATOM   821  O O    . ALA   A 1 152 ? -7.26931  -22.80691 -32.94702 1.000 51.71377 ? 747 ALA   A O    1 
ATOM   822  C CB   . ALA   A 1 152 ? -8.71605  -24.54739 -31.08943 1.000 53.84135 ? 747 ALA   A CB   1 
ATOM   823  N N    . GLY   A 1 153 ? -5.97580  -22.32168 -31.17262 1.000 49.42649 ? 748 GLY   A N    1 
ATOM   824  C CA   . GLY   A 1 153 ? -5.76553  -20.95507 -31.60969 1.000 46.91722 ? 748 GLY   A CA   1 
ATOM   825  C C    . GLY   A 1 153 ? -7.00724  -20.10296 -31.52581 1.000 43.86933 ? 748 GLY   A C    1 
ATOM   826  O O    . GLY   A 1 153 ? -7.08690  -19.06438 -32.19451 1.000 42.71873 ? 748 GLY   A O    1 
ATOM   827  N N    . LYS   A 1 154 ? -7.98937  -20.51385 -30.72146 1.000 50.37367 ? 749 LYS   A N    1 
ATOM   828  C CA   . LYS   A 1 154 ? -9.26234  -19.81408 -30.61576 1.000 48.56667 ? 749 LYS   A CA   1 
ATOM   829  C C    . LYS   A 1 154 ? -9.39316  -18.97030 -29.34568 1.000 47.51566 ? 749 LYS   A C    1 
ATOM   830  O O    . LYS   A 1 154 ? -10.49742 -18.49447 -29.04450 1.000 46.54863 ? 749 LYS   A O    1 
ATOM   831  C CB   . LYS   A 1 154 ? -10.41913 -20.80562 -30.68102 1.000 48.79731 ? 749 LYS   A CB   1 
ATOM   832  C CG   . LYS   A 1 154 ? -10.54907 -21.50238 -31.99126 1.000 49.78432 ? 749 LYS   A CG   1 
ATOM   833  C CD   . LYS   A 1 154 ? -11.94695 -22.02070 -32.17422 1.000 51.58210 ? 749 LYS   A CD   1 
ATOM   834  C CE   . LYS   A 1 154 ? -12.26702 -22.17461 -33.65826 1.000 53.85911 ? 749 LYS   A CE   1 
ATOM   835  N NZ   . LYS   A 1 154 ? -13.47264 -23.02675 -33.89091 1.000 57.00967 ? 749 LYS   A NZ   1 
ATOM   836  N N    . PHE   A 1 155 ? -8.30801  -18.75047 -28.60600 1.000 55.60242 ? 750 PHE   A N    1 
ATOM   837  C CA   . PHE   A 1 155 ? -8.36696  -17.96773 -27.37775 1.000 54.70548 ? 750 PHE   A CA   1 
ATOM   838  C C    . PHE   A 1 155 ? -7.91454  -16.53419 -27.64064 1.000 54.11688 ? 750 PHE   A C    1 
ATOM   839  O O    . PHE   A 1 155 ? -6.87148  -16.31085 -28.26320 1.000 54.54173 ? 750 PHE   A O    1 
ATOM   840  C CB   . PHE   A 1 155 ? -7.50439  -18.60498 -26.28893 1.000 55.05536 ? 750 PHE   A CB   1 
ATOM   841  C CG   . PHE   A 1 155 ? -7.60508  -17.91444 -24.96195 1.000 55.19043 ? 750 PHE   A CG   1 
ATOM   842  C CD1  . PHE   A 1 155 ? -6.92740  -16.72662 -24.72842 1.000 54.96380 ? 750 PHE   A CD1  1 
ATOM   843  C CD2  . PHE   A 1 155 ? -8.37809  -18.45314 -23.93992 1.000 56.39875 ? 750 PHE   A CD2  1 
ATOM   844  C CE1  . PHE   A 1 155 ? -7.02452  -16.08377 -23.51109 1.000 55.72215 ? 750 PHE   A CE1  1 
ATOM   845  C CE2  . PHE   A 1 155 ? -8.47140  -17.81988 -22.70683 1.000 56.66932 ? 750 PHE   A CE2  1 
ATOM   846  C CZ   . PHE   A 1 155 ? -7.79604  -16.62902 -22.50025 1.000 57.26978 ? 750 PHE   A CZ   1 
ATOM   847  N N    . LYS   A 1 156 ? -8.69259  -15.56543 -27.15648 1.000 50.32957 ? 751 LYS   A N    1 
ATOM   848  C CA   . LYS   A 1 156 ? -8.33968  -14.15069 -27.26669 1.000 51.58593 ? 751 LYS   A CA   1 
ATOM   849  C C    . LYS   A 1 156 ? -8.57311  -13.47312 -25.92172 1.000 53.95156 ? 751 LYS   A C    1 
ATOM   850  O O    . LYS   A 1 156 ? -9.70561  -13.41666 -25.43181 1.000 54.66596 ? 751 LYS   A O    1 
ATOM   851  C CB   . LYS   A 1 156 ? -9.14566  -13.46298 -28.36899 1.000 53.34890 ? 751 LYS   A CB   1 
ATOM   852  C CG   . LYS   A 1 156 ? -8.94295  -14.07886 -29.76145 1.000 52.50587 ? 751 LYS   A CG   1 
ATOM   853  C CD   . LYS   A 1 156 ? -7.53135  -13.84673 -30.27692 1.000 50.84048 ? 751 LYS   A CD   1 
ATOM   854  C CE   . LYS   A 1 156 ? -7.46613  -12.57750 -31.09337 1.000 50.62420 ? 751 LYS   A CE   1 
ATOM   855  N NZ   . LYS   A 1 156 ? -6.05781  -12.23956 -31.45426 1.000 50.18727 ? 751 LYS   A NZ   1 
ATOM   856  N N    . ALA   A 1 157 ? -7.51021  -12.93634 -25.34039 1.000 50.81944 ? 752 ALA   A N    1 
ATOM   857  C CA   . ALA   A 1 157 ? -7.58662  -12.42183 -23.98371 1.000 55.54020 ? 752 ALA   A CA   1 
ATOM   858  C C    . ALA   A 1 157 ? -8.10078  -10.99488 -23.98861 1.000 58.31326 ? 752 ALA   A C    1 
ATOM   859  O O    . ALA   A 1 157 ? -7.57874  -10.14627 -24.71251 1.000 58.19829 ? 752 ALA   A O    1 
ATOM   860  C CB   . ALA   A 1 157 ? -6.21858  -12.48401 -23.30967 1.000 54.03857 ? 752 ALA   A CB   1 
ATOM   861  N N    . THR   A 1 158 ? -9.13838  -10.74575 -23.19520 1.000 59.87406 ? 753 THR   A N    1 
ATOM   862  C CA   . THR   A 1 158 ? -9.63809  -9.40974  -22.92607 1.000 60.52277 ? 753 THR   A CA   1 
ATOM   863  C C    . THR   A 1 158 ? -9.28306  -9.02644  -21.49643 1.000 64.53051 ? 753 THR   A C    1 
ATOM   864  O O    . THR   A 1 158 ? -9.13707  -9.88527  -20.62133 1.000 65.63040 ? 753 THR   A O    1 
ATOM   865  C CB   . THR   A 1 158 ? -11.15241 -9.31793  -23.13833 1.000 59.34394 ? 753 THR   A CB   1 
ATOM   866  O OG1  . THR   A 1 158 ? -11.80297 -10.41773 -22.49442 1.000 59.84247 ? 753 THR   A OG1  1 
ATOM   867  C CG2  . THR   A 1 158 ? -11.48310 -9.35368  -24.60756 1.000 56.02369 ? 753 THR   A CG2  1 
ATOM   868  N N    . GLN   A 1 159 ? -9.13129  -7.72889  -21.26815 1.000 72.79783 ? 754 GLN   A N    1 
ATOM   869  C CA   . GLN   A 1 159 ? -8.64868  -7.22098  -19.99379 1.000 74.10335 ? 754 GLN   A CA   1 
ATOM   870  C C    . GLN   A 1 159 ? -9.79301  -6.73835  -19.11051 1.000 76.06434 ? 754 GLN   A C    1 
ATOM   871  O O    . GLN   A 1 159 ? -10.85664 -6.33842  -19.59069 1.000 75.28224 ? 754 GLN   A O    1 
ATOM   872  C CB   . GLN   A 1 159 ? -7.65305  -6.08260  -20.20743 1.000 71.66222 ? 754 GLN   A CB   1 
ATOM   873  C CG   . GLN   A 1 159 ? -6.27181  -6.54385  -20.63817 1.000 69.87884 ? 754 GLN   A CG   1 
ATOM   874  C CD   . GLN   A 1 159 ? -6.27337  -7.22437  -21.98357 1.000 69.51130 ? 754 GLN   A CD   1 
ATOM   875  O OE1  . GLN   A 1 159 ? -6.06591  -6.58241  -23.01157 1.000 72.67842 ? 754 GLN   A OE1  1 
ATOM   876  N NE2  . GLN   A 1 159 ? -6.50117  -8.53331  -21.98671 1.000 66.88392 ? 754 GLN   A NE2  1 
ATOM   877  N N    . ARG   A 1 160 ? -9.55908  -6.79214  -17.80372 1.000 75.03996 ? 755 ARG   A N    1 
ATOM   878  C CA   . ARG   A 1 160 ? -10.46089 -6.22344  -16.81428 1.000 75.02219 ? 755 ARG   A CA   1 
ATOM   879  C C    . ARG   A 1 160 ? -9.97406  -4.83334  -16.42510 1.000 71.08623 ? 755 ARG   A C    1 
ATOM   880  O O    . ARG   A 1 160 ? -8.77066  -4.59813  -16.28691 1.000 70.29098 ? 755 ARG   A O    1 
ATOM   881  C CB   . ARG   A 1 160 ? -10.54534 -7.10319  -15.56597 1.000 74.56072 ? 755 ARG   A CB   1 
ATOM   882  C CG   . ARG   A 1 160 ? -10.98867 -8.54661  -15.78206 1.000 75.69474 ? 755 ARG   A CG   1 
ATOM   883  C CD   . ARG   A 1 160 ? -11.35314 -9.15149  -14.43322 1.000 73.50277 ? 755 ARG   A CD   1 
ATOM   884  N NE   . ARG   A 1 160 ? -11.18463 -10.59762 -14.35099 1.000 71.97567 ? 755 ARG   A NE   1 
ATOM   885  C CZ   . ARG   A 1 160 ? -12.18472 -11.46784 -14.31015 1.000 71.64588 ? 755 ARG   A CZ   1 
ATOM   886  N NH1  . ARG   A 1 160 ? -13.44163 -11.07649 -14.42174 1.000 71.90632 ? 755 ARG   A NH1  1 
ATOM   887  N NH2  . ARG   A 1 160 ? -11.91600 -12.76246 -14.14966 1.000 68.44589 ? 755 ARG   A NH2  1 
ATOM   888  N N    . THR   A 1 161 ? -10.91061 -3.90891  -16.27447 1.000 52.82761 ? 756 THR   A N    1 
ATOM   889  C CA   . THR   A 1 161 ? -10.62634 -2.59160  -15.71654 1.000 52.74896 ? 756 THR   A CA   1 
ATOM   890  C C    . THR   A 1 161 ? -10.94892 -2.63501  -14.22087 1.000 51.47649 ? 756 THR   A C    1 
ATOM   891  O O    . THR   A 1 161 ? -12.05469 -3.02725  -13.83658 1.000 52.27764 ? 756 THR   A O    1 
ATOM   892  C CB   . THR   A 1 161 ? -11.44708 -1.50446  -16.42202 1.000 52.15525 ? 756 THR   A CB   1 
ATOM   893  O OG1  . THR   A 1 161 ? -11.41790 -1.71500  -17.84047 1.000 53.34502 ? 756 THR   A OG1  1 
ATOM   894  C CG2  . THR   A 1 161 ? -10.90351 -0.10183  -16.10550 1.000 50.14528 ? 756 THR   A CG2  1 
ATOM   895  N N    . GLU   A 1 162 ? -9.99065  -2.25489  -13.38162 1.000 79.15425 ? 757 GLU   A N    1 
ATOM   896  C CA   . GLU   A 1 162 ? -10.26589 -2.16856  -11.95260 1.000 79.07621 ? 757 GLU   A CA   1 
ATOM   897  C C    . GLU   A 1 162 ? -10.93744 -0.84069  -11.62010 1.000 78.04194 ? 757 GLU   A C    1 
ATOM   898  O O    . GLU   A 1 162 ? -10.75448 0.16474   -12.31581 1.000 78.00133 ? 757 GLU   A O    1 
ATOM   899  C CB   . GLU   A 1 162 ? -8.98263  -2.31420  -11.12998 1.000 76.03989 ? 757 GLU   A CB   1 
ATOM   900  C CG   . GLU   A 1 162 ? -8.12809  -3.52091  -11.49210 1.000 77.22656 ? 757 GLU   A CG   1 
ATOM   901  C CD   . GLU   A 1 162 ? -8.91353  -4.82300  -11.50498 1.000 78.78092 ? 757 GLU   A CD   1 
ATOM   902  O OE1  . GLU   A 1 162 ? -10.05178 -4.83797  -10.98293 1.000 79.50773 ? 757 GLU   A OE1  1 
ATOM   903  O OE2  . GLU   A 1 162 ? -8.39412  -5.83036  -12.04074 1.000 78.67139 ? 757 GLU   A OE2  1 
ATOM   904  N N    . GLY   A 1 163 ? -11.74729 -0.85561  -10.56199 1.000 60.09345 ? 758 GLY   A N    1 
ATOM   905  C CA   . GLY   A 1 163 ? -12.23710 0.37480   -9.96715  1.000 58.89171 ? 758 GLY   A CA   1 
ATOM   906  C C    . GLY   A 1 163 ? -13.41292 1.05189   -10.63715 1.000 58.67792 ? 758 GLY   A C    1 
ATOM   907  O O    . GLY   A 1 163 ? -13.61569 2.24692   -10.41344 1.000 57.86396 ? 758 GLY   A O    1 
ATOM   908  N N    . VAL   A 1 164 ? -14.21112 0.33523   -11.43654 1.000 53.87361 ? 759 VAL   A N    1 
ATOM   909  C CA   . VAL   A 1 164 ? -15.34557 0.95948   -12.11719 1.000 53.96809 ? 759 VAL   A CA   1 
ATOM   910  C C    . VAL   A 1 164 ? -16.58990 0.10195   -11.97700 1.000 53.99307 ? 759 VAL   A C    1 
ATOM   911  O O    . VAL   A 1 164 ? -17.59481 0.34066   -12.65339 1.000 53.49975 ? 759 VAL   A O    1 
ATOM   912  C CB   . VAL   A 1 164 ? -15.05505 1.21511   -13.60738 1.000 54.55213 ? 759 VAL   A CB   1 
ATOM   913  C CG1  . VAL   A 1 164 ? -13.90316 2.18371   -13.76057 1.000 53.84633 ? 759 VAL   A CG1  1 
ATOM   914  C CG2  . VAL   A 1 164 ? -14.77585 -0.10540  -14.32559 1.000 55.29438 ? 759 VAL   A CG2  1 
ATOM   915  N N    . SER   A 1 165 ? -16.52793 -0.90192  -11.11251 1.000 54.38009 ? 760 SER   A N    1 
ATOM   916  C CA   . SER   A 1 165 ? -17.67384 -1.77013  -10.89972 1.000 53.76770 ? 760 SER   A CA   1 
ATOM   917  C C    . SER   A 1 165 ? -18.78469 -1.02517  -10.16685 1.000 52.75623 ? 760 SER   A C    1 
ATOM   918  O O    . SER   A 1 165 ? -18.55247 -0.04251  -9.46171  1.000 52.21273 ? 760 SER   A O    1 
ATOM   919  C CB   . SER   A 1 165 ? -17.27587 -3.00685  -10.09902 1.000 53.12150 ? 760 SER   A CB   1 
ATOM   920  O OG   . SER   A 1 165 ? -17.31570 -2.72826  -8.71052  1.000 51.86181 ? 760 SER   A OG   1 
ATOM   921  N N    . THR   A 1 166 ? -20.00963 -1.52481  -10.33609 1.000 51.58076 ? 761 THR   A N    1 
ATOM   922  C CA   . THR   A 1 166 ? -21.14855 -0.94607  -9.63690  1.000 52.44814 ? 761 THR   A CA   1 
ATOM   923  C C    . THR   A 1 166 ? -20.92608 -0.92479  -8.12654  1.000 52.90297 ? 761 THR   A C    1 
ATOM   924  O O    . THR   A 1 166 ? -21.31238 0.03889   -7.45469  1.000 51.70007 ? 761 THR   A O    1 
ATOM   925  C CB   . THR   A 1 166 ? -22.42136 -1.71437  -9.98211  1.000 51.21656 ? 761 THR   A CB   1 
ATOM   926  O OG1  . THR   A 1 166 ? -22.62209 -1.68524  -11.39957 1.000 50.49388 ? 761 THR   A OG1  1 
ATOM   927  C CG2  . THR   A 1 166 ? -23.62527 -1.07994  -9.29287  1.000 52.12630 ? 761 THR   A CG2  1 
ATOM   928  N N    . THR   A 1 167 ? -20.29900 -1.96784  -7.57031  1.000 55.63168 ? 762 THR   A N    1 
ATOM   929  C CA   . THR   A 1 167 ? -20.04843 -1.95789  -6.12751  1.000 53.74247 ? 762 THR   A CA   1 
ATOM   930  C C    . THR   A 1 167 ? -19.04278 -0.87487  -5.75342  1.000 51.74846 ? 762 THR   A C    1 
ATOM   931  O O    . THR   A 1 167 ? -19.19141 -0.21391  -4.71842  1.000 51.23845 ? 762 THR   A O    1 
ATOM   932  C CB   . THR   A 1 167 ? -19.57162 -3.32836  -5.63312  1.000 54.09058 ? 762 THR   A CB   1 
ATOM   933  O OG1  . THR   A 1 167 ? -18.27954 -3.63135  -6.16913  1.000 52.99653 ? 762 THR   A OG1  1 
ATOM   934  C CG2  . THR   A 1 167 ? -20.56956 -4.42818  -6.00354  1.000 54.15649 ? 762 THR   A CG2  1 
ATOM   935  N N    . ASP   A 1 168 ? -18.01774 -0.66810  -6.58628  1.000 55.75042 ? 763 ASP   A N    1 
ATOM   936  C CA   . ASP   A 1 168 ? -17.11761 0.46001   -6.37416  1.000 53.97080 ? 763 ASP   A CA   1 
ATOM   937  C C    . ASP   A 1 168 ? -17.89355 1.76090   -6.24730  1.000 52.79461 ? 763 ASP   A C    1 
ATOM   938  O O    . ASP   A 1 168 ? -17.50086 2.65658   -5.48651  1.000 50.42313 ? 763 ASP   A O    1 
ATOM   939  C CB   . ASP   A 1 168 ? -16.10832 0.56063   -7.52212  1.000 52.67681 ? 763 ASP   A CB   1 
ATOM   940  C CG   . ASP   A 1 168 ? -15.21158 -0.65976  -7.62155  1.000 54.77219 ? 763 ASP   A CG   1 
ATOM   941  O OD1  . ASP   A 1 168 ? -15.22671 -1.48711  -6.68481  1.000 56.29425 ? 763 ASP   A OD1  1 
ATOM   942  O OD2  . ASP   A 1 168 ? -14.49577 -0.80290  -8.63659  1.000 54.06605 ? 763 ASP   A OD2  1 
ATOM   943  N N    . LEU   A 1 169 ? -18.99934 1.88086   -6.98264  1.000 51.78524 ? 764 LEU   A N    1 
ATOM   944  C CA   . LEU   A 1 169 ? -19.77302 3.11687   -6.95743  1.000 51.61503 ? 764 LEU   A CA   1 
ATOM   945  C C    . LEU   A 1 169 ? -20.48117 3.29888   -5.61826  1.000 50.49750 ? 764 LEU   A C    1 
ATOM   946  O O    . LEU   A 1 169 ? -20.49549 4.39892   -5.06137  1.000 49.43902 ? 764 LEU   A O    1 
ATOM   947  C CB   . LEU   A 1 169 ? -20.77882 3.12568   -8.10627  1.000 50.64258 ? 764 LEU   A CB   1 
ATOM   948  C CG   . LEU   A 1 169 ? -20.44433 3.98487   -9.32030  1.000 50.68641 ? 764 LEU   A CG   1 
ATOM   949  C CD1  . LEU   A 1 169 ? -19.01796 3.75611   -9.80398  1.000 48.47919 ? 764 LEU   A CD1  1 
ATOM   950  C CD2  . LEU   A 1 169 ? -21.43822 3.65457   -10.40180 1.000 51.26566 ? 764 LEU   A CD2  1 
ATOM   951  N N    . ILE   A 1 170 ? -21.09557 2.23509   -5.09979  1.000 63.08399 ? 765 ILE   A N    1 
ATOM   952  C CA   . ILE   A 1 170 ? -21.77061 2.33125   -3.81057  1.000 63.88297 ? 765 ILE   A CA   1 
ATOM   953  C C    . ILE   A 1 170 ? -20.77097 2.69107   -2.72005  1.000 61.24633 ? 765 ILE   A C    1 
ATOM   954  O O    . ILE   A 1 170 ? -21.06791 3.48169   -1.81693  1.000 61.31251 ? 765 ILE   A O    1 
ATOM   955  C CB   . ILE   A 1 170 ? -22.51718 1.01819   -3.51065  1.000 66.17580 ? 765 ILE   A CB   1 
ATOM   956  C CG1  . ILE   A 1 170 ? -23.44288 0.68437   -4.68106  1.000 67.96147 ? 765 ILE   A CG1  1 
ATOM   957  C CG2  . ILE   A 1 170 ? -23.30274 1.11169   -2.19895  1.000 66.89234 ? 765 ILE   A CG2  1 
ATOM   958  C CD1  . ILE   A 1 170 ? -24.25539 1.86216   -5.16488  1.000 67.11488 ? 765 ILE   A CD1  1 
ATOM   959  N N    . VAL   A 1 171 ? -19.55968 2.14339   -2.80679  1.000 56.52883 ? 766 VAL   A N    1 
ATOM   960  C CA   . VAL   A 1 171 ? -18.50677 2.50494   -1.86173  1.000 56.34149 ? 766 VAL   A CA   1 
ATOM   961  C C    . VAL   A 1 171 ? -18.25929 4.01128   -1.88087  1.000 54.76311 ? 766 VAL   A C    1 
ATOM   962  O O    . VAL   A 1 171 ? -18.14121 4.65421   -0.83026  1.000 55.12427 ? 766 VAL   A O    1 
ATOM   963  C CB   . VAL   A 1 171 ? -17.22531 1.70882   -2.16750  1.000 55.54090 ? 766 VAL   A CB   1 
ATOM   964  C CG1  . VAL   A 1 171 ? -16.06143 2.24034   -1.34916  1.000 55.27633 ? 766 VAL   A CG1  1 
ATOM   965  C CG2  . VAL   A 1 171 ? -17.45423 0.23432   -1.87817  1.000 56.24841 ? 766 VAL   A CG2  1 
ATOM   966  N N    . ARG   A 1 172 ? -18.16844 4.59745   -3.07559  1.000 49.45220 ? 767 ARG   A N    1 
ATOM   967  C CA   . ARG   A 1 172 ? -17.96024 6.03636   -3.16566  1.000 48.92166 ? 767 ARG   A CA   1 
ATOM   968  C C    . ARG   A 1 172 ? -19.13403 6.79960   -2.56442  1.000 49.53831 ? 767 ARG   A C    1 
ATOM   969  O O    . ARG   A 1 172 ? -18.93935 7.86613   -1.97407  1.000 50.22709 ? 767 ARG   A O    1 
ATOM   970  C CB   . ARG   A 1 172 ? -17.69820 6.44775   -4.62751  1.000 48.46518 ? 767 ARG   A CB   1 
ATOM   971  C CG   . ARG   A 1 172 ? -16.28884 6.05589   -5.13820  1.000 48.62917 ? 767 ARG   A CG   1 
ATOM   972  C CD   . ARG   A 1 172 ? -16.18018 5.89520   -6.67742  1.000 48.40447 ? 767 ARG   A CD   1 
ATOM   973  N NE   . ARG   A 1 172 ? -16.32475 7.16202   -7.38627  1.000 48.26275 ? 767 ARG   A NE   1 
ATOM   974  C CZ   . ARG   A 1 172 ? -16.15574 7.32793   -8.69574  1.000 48.25005 ? 767 ARG   A CZ   1 
ATOM   975  N NH1  . ARG   A 1 172 ? -15.82916 6.31839   -9.49559  1.000 48.30243 ? 767 ARG   A NH1  1 
ATOM   976  N NH2  . ARG   A 1 172 ? -16.30852 8.54162   -9.21517  1.000 49.18680 ? 767 ARG   A NH2  1 
ATOM   977  N N    . ILE   A 1 173 ? -20.35026 6.26514   -2.66151  1.000 46.53193 ? 768 ILE   A N    1 
ATOM   978  C CA   . ILE   A 1 173 ? -21.47580 6.91628   -1.99947  1.000 46.72762 ? 768 ILE   A CA   1 
ATOM   979  C C    . ILE   A 1 173 ? -21.26007 6.92910   -0.48868  1.000 47.46632 ? 768 ILE   A C    1 
ATOM   980  O O    . ILE   A 1 173 ? -21.43659 7.95662   0.17563   1.000 48.38711 ? 768 ILE   A O    1 
ATOM   981  C CB   . ILE   A 1 173 ? -22.79910 6.21844   -2.35604  1.000 45.73211 ? 768 ILE   A CB   1 
ATOM   982  C CG1  . ILE   A 1 173 ? -23.11345 6.36580   -3.84800  1.000 45.35083 ? 768 ILE   A CG1  1 
ATOM   983  C CG2  . ILE   A 1 173 ? -23.93827 6.74168   -1.44392  1.000 45.96159 ? 768 ILE   A CG2  1 
ATOM   984  C CD1  . ILE   A 1 173 ? -24.44924 5.80287   -4.23642  1.000 45.41332 ? 768 ILE   A CD1  1 
ATOM   985  N N    . LEU   A 1 174 ? -20.87055 5.78559   0.07379   1.000 56.22797 ? 769 LEU   A N    1 
ATOM   986  C CA   . LEU   A 1 174 ? -20.75454 5.68423   1.52531   1.000 57.33981 ? 769 LEU   A CA   1 
ATOM   987  C C    . LEU   A 1 174 ? -19.61684 6.54053   2.06597   1.000 57.25517 ? 769 LEU   A C    1 
ATOM   988  O O    . LEU   A 1 174 ? -19.66912 6.97250   3.22312   1.000 57.85937 ? 769 LEU   A O    1 
ATOM   989  C CB   . LEU   A 1 174 ? -20.56503 4.22806   1.92695   1.000 56.35647 ? 769 LEU   A CB   1 
ATOM   990  C CG   . LEU   A 1 174 ? -21.73632 3.35264   1.51863   1.000 57.57654 ? 769 LEU   A CG   1 
ATOM   991  C CD1  . LEU   A 1 174 ? -21.38629 1.90181   1.70674   1.000 58.18616 ? 769 LEU   A CD1  1 
ATOM   992  C CD2  . LEU   A 1 174 ? -22.96427 3.72242   2.31485   1.000 58.04450 ? 769 LEU   A CD2  1 
ATOM   993  N N    . LYS   A 1 175 ? -18.59253 6.80996   1.25131   1.000 59.23364 ? 770 LYS   A N    1 
ATOM   994  C CA   . LYS   A 1 175 ? -17.48321 7.62022   1.73493   1.000 59.72923 ? 770 LYS   A CA   1 
ATOM   995  C C    . LYS   A 1 175 ? -17.86749 9.08223   2.00554   1.000 60.43070 ? 770 LYS   A C    1 
ATOM   996  O O    . LYS   A 1 175 ? -17.01013 9.83695   2.48099   1.000 61.25035 ? 770 LYS   A O    1 
ATOM   997  C CB   . LYS   A 1 175 ? -16.31292 7.54970   0.75154   1.000 59.01820 ? 770 LYS   A CB   1 
ATOM   998  N N    . ASN   A 1 176 ? -19.10949 9.51096   1.74143   1.000 63.65130 ? 771 ASN   A N    1 
ATOM   999  C CA   . ASN   A 1 176 ? -19.52868 10.85101  2.15113   1.000 63.23595 ? 771 ASN   A CA   1 
ATOM   1000 C C    . ASN   A 1 176 ? -19.88534 10.91990  3.62938   1.000 63.95483 ? 771 ASN   A C    1 
ATOM   1001 O O    . ASN   A 1 176 ? -20.05167 12.02408  4.17008   1.000 62.61798 ? 771 ASN   A O    1 
ATOM   1002 C CB   . ASN   A 1 176 ? -20.73889 11.33287  1.34673   1.000 62.08032 ? 771 ASN   A CB   1 
ATOM   1003 C CG   . ASN   A 1 176 ? -20.52909 11.24592  -0.15961  1.000 62.92927 ? 771 ASN   A CG   1 
ATOM   1004 O OD1  . ASN   A 1 176 ? -19.66649 11.91751  -0.72182  1.000 62.09346 ? 771 ASN   A OD1  1 
ATOM   1005 N ND2  . ASN   A 1 176 ? -21.35143 10.43366  -0.82342  1.000 61.60607 ? 771 ASN   A ND2  1 
ATOM   1006 N N    . TYR   A 1 177 ? -20.01585 9.76875   4.27686   1.000 62.60088 ? 772 TYR   A N    1 
ATOM   1007 C CA   . TYR   A 1 177 ? -20.39555 9.66871   5.67758   1.000 62.92604 ? 772 TYR   A CA   1 
ATOM   1008 C C    . TYR   A 1 177 ? -19.13819 9.30987   6.44984   1.000 63.87212 ? 772 TYR   A C    1 
ATOM   1009 O O    . TYR   A 1 177 ? -18.74913 8.14026   6.51965   1.000 64.15955 ? 772 TYR   A O    1 
ATOM   1010 C CB   . TYR   A 1 177 ? -21.51025 8.64487   5.84963   1.000 62.99130 ? 772 TYR   A CB   1 
ATOM   1011 C CG   . TYR   A 1 177 ? -22.70031 9.06351   5.04916   1.000 62.00301 ? 772 TYR   A CG   1 
ATOM   1012 C CD1  . TYR   A 1 177 ? -22.77860 8.76654   3.69695   1.000 61.73516 ? 772 TYR   A CD1  1 
ATOM   1013 C CD2  . TYR   A 1 177 ? -23.71273 9.82570   5.61694   1.000 61.11684 ? 772 TYR   A CD2  1 
ATOM   1014 C CE1  . TYR   A 1 177 ? -23.84343 9.17306   2.93999   1.000 60.58311 ? 772 TYR   A CE1  1 
ATOM   1015 C CE2  . TYR   A 1 177 ? -24.79549 10.24612  4.85515   1.000 59.68156 ? 772 TYR   A CE2  1 
ATOM   1016 C CZ   . TYR   A 1 177 ? -24.84578 9.91428   3.51251   1.000 59.38972 ? 772 TYR   A CZ   1 
ATOM   1017 O OH   . TYR   A 1 177 ? -25.90741 10.31264  2.73603   1.000 57.71723 ? 772 TYR   A OH   1 
ATOM   1018 N N    . GLU   A 1 178 ? -18.48118 10.33403  6.99067   1.000 68.49712 ? 773 GLU   A N    1 
ATOM   1019 C CA   . GLU   A 1 178 ? -17.27974 10.10143  7.76432   1.000 69.53425 ? 773 GLU   A CA   1 
ATOM   1020 C C    . GLU   A 1 178 ? -17.61598 9.15251   8.90405   1.000 70.12072 ? 773 GLU   A C    1 
ATOM   1021 O O    . GLU   A 1 178 ? -18.74798 9.10691   9.39287   1.000 69.85468 ? 773 GLU   A O    1 
ATOM   1022 C CB   . GLU   A 1 178 ? -16.70761 11.42566  8.27950   1.000 69.68612 ? 773 GLU   A CB   1 
ATOM   1023 N N    . ASP   A 1 179 ? -16.63741 8.34713   9.29873   1.000 66.78291 ? 774 ASP   A N    1 
ATOM   1024 C CA   . ASP   A 1 179 ? -16.91583 7.36447   10.33481  1.000 67.26386 ? 774 ASP   A CA   1 
ATOM   1025 C C    . ASP   A 1 179 ? -17.24986 8.01227   11.67084  1.000 67.96010 ? 774 ASP   A C    1 
ATOM   1026 O O    . ASP   A 1 179 ? -17.87707 7.36665   12.51609  1.000 68.19361 ? 774 ASP   A O    1 
ATOM   1027 C CB   . ASP   A 1 179 ? -15.74183 6.39710   10.46001  1.000 67.74676 ? 774 ASP   A CB   1 
ATOM   1028 C CG   . ASP   A 1 179 ? -15.64075 5.45191   9.26242   1.000 66.81820 ? 774 ASP   A CG   1 
ATOM   1029 O OD1  . ASP   A 1 179 ? -16.42970 5.59187   8.28059   1.000 65.83029 ? 774 ASP   A OD1  1 
ATOM   1030 O OD2  . ASP   A 1 179 ? -14.77109 4.55764   9.31535   1.000 67.10712 ? 774 ASP   A OD2  1 
ATOM   1031 N N    . TYR   A 1 180 ? -16.87926 9.26944   11.88147  1.000 78.27956 ? 775 TYR   A N    1 
ATOM   1032 C CA   . TYR   A 1 180 ? -17.21832 9.93112   13.14331  1.000 78.77816 ? 775 TYR   A CA   1 
ATOM   1033 C C    . TYR   A 1 180 ? -17.66773 11.36581  12.90157  1.000 77.89940 ? 775 TYR   A C    1 
ATOM   1034 O O    . TYR   A 1 180 ? -18.54980 11.86386  13.61273  1.000 77.72452 ? 775 TYR   A O    1 
ATOM   1035 C CB   . TYR   A 1 180 ? -16.03236 9.91711   14.11551  1.000 80.14563 ? 775 TYR   A CB   1 
ATOM   1036 C CG   . TYR   A 1 180 ? -15.49535 8.54214   14.45567  1.000 80.83853 ? 775 TYR   A CG   1 
ATOM   1037 C CD1  . TYR   A 1 180 ? -14.72254 7.83635   13.54633  1.000 80.51730 ? 775 TYR   A CD1  1 
ATOM   1038 C CD2  . TYR   A 1 180 ? -15.73161 7.96338   15.70250  1.000 81.81909 ? 775 TYR   A CD2  1 
ATOM   1039 C CE1  . TYR   A 1 180 ? -14.22180 6.58420   13.84395  1.000 81.00158 ? 775 TYR   A CE1  1 
ATOM   1040 C CE2  . TYR   A 1 180 ? -15.22503 6.70177   16.01681  1.000 82.40909 ? 775 TYR   A CE2  1 
ATOM   1041 C CZ   . TYR   A 1 180 ? -14.47061 6.01623   15.07449  1.000 81.96127 ? 775 TYR   A CZ   1 
ATOM   1042 O OH   . TYR   A 1 180 ? -13.95380 4.76726   15.35441  1.000 82.44995 ? 775 TYR   A OH   1 
ATOM   1043 O OXT  . TYR   A 1 180 ? -17.15515 12.04182  12.00203  1.000 77.41207 ? 775 TYR   A OXT  1 
HETATM 1044 C C02  . A1IWT B 2 .   ? -18.47793 -19.05714 -17.59717 1.000 50.92546 ? 801 A1IWT A C02  1 
HETATM 1045 C C04  . A1IWT B 2 .   ? -18.38074 -17.54143 -17.33659 1.000 44.50546 ? 801 A1IWT A C04  1 
HETATM 1046 C C05  . A1IWT B 2 .   ? -18.19236 -17.36735 -15.72359 1.000 53.79546 ? 801 A1IWT A C05  1 
HETATM 1047 N N01  . A1IWT B 2 .   ? -19.10282 -19.85648 -16.54529 1.000 46.86546 ? 801 A1IWT A N01  1 
HETATM 1048 N N03  . A1IWT B 2 .   ? -18.08983 -19.70942 -18.64005 1.000 43.85546 ? 801 A1IWT A N03  1 
HETATM 1049 N N07  . A1IWT B 2 .   ? -17.28599 -18.28499 -15.10164 1.000 57.29546 ? 801 A1IWT A N07  1 
HETATM 1050 O O06  . A1IWT B 2 .   ? -18.76341 -16.56407 -15.04778 1.000 56.08546 ? 801 A1IWT A O06  1 
HETATM 1051 H H041 . A1IWT B 2 .   ? -19.18271 -17.07927 -17.62670 1.000 52.54546 ? 801 A1IWT A H041 1 
HETATM 1052 H H042 . A1IWT B 2 .   ? -17.62490 -17.14918 -17.80108 1.000 52.54546 ? 801 A1IWT A H042 1 
HETATM 1053 H H012 . A1IWT B 2 .   ? -19.18491 -20.70372 -16.64523 1.000 55.37546 ? 801 A1IWT A H012 1 
HETATM 1054 H H011 . A1IWT B 2 .   ? -19.40292 -19.52029 -15.81166 1.000 55.37546 ? 801 A1IWT A H011 1 
HETATM 1055 H H031 . A1IWT B 2 .   ? -17.71522 -19.20953 -19.25493 1.000 51.75546 ? 801 A1IWT A H031 1 
HETATM 1056 H H071 . A1IWT B 2 .   ? -16.79034 -18.94023 -15.45357 1.000 67.89546 ? 801 A1IWT A H071 1 
HETATM 1057 H H072 . A1IWT B 2 .   ? -17.18762 -18.18643 -14.21522 1.000 67.89546 ? 801 A1IWT A H072 1 
HETATM 1058 O O    . HOH   C 3 .   ? -13.38097 -4.06153  -18.57533 1.000 44.36546 ? 901 HOH   A O    1 
HETATM 1059 O O    . HOH   C 3 .   ? -26.45788 -7.22868  -17.74305 1.000 30.82546 ? 902 HOH   A O    1 
HETATM 1060 O O    . HOH   C 3 .   ? -27.16771 -5.26630  -15.17676 1.000 29.24546 ? 903 HOH   A O    1 
HETATM 1061 O O    . HOH   C 3 .   ? -33.39005 -17.38597 -14.32554 1.000 49.63546 ? 904 HOH   A O    1 
HETATM 1062 O O    . HOH   C 3 .   ? -19.86503 -14.47076 -39.35003 1.000 51.70546 ? 905 HOH   A O    1 
HETATM 1063 O O    . HOH   C 3 .   ? -15.03346 3.08314   -4.80101  1.000 49.18546 ? 906 HOH   A O    1 
HETATM 1064 O O    . HOH   C 3 .   ? -9.68570  -5.65351  -29.15679 1.000 39.09546 ? 907 HOH   A O    1 
HETATM 1065 O O    . HOH   C 3 .   ? -30.31144 -17.10440 -26.02424 1.000 40.79546 ? 908 HOH   A O    1 
HETATM 1066 O O    . HOH   C 3 .   ? -19.66737 -10.79855 -15.89826 1.000 39.69546 ? 909 HOH   A O    1 
HETATM 1067 O O    . HOH   C 3 .   ? -24.69114 -21.06459 -17.37311 1.000 41.74546 ? 910 HOH   A O    1 
HETATM 1068 O O    . HOH   C 3 .   ? -23.84506 -25.75126 -18.56780 1.000 40.66546 ? 911 HOH   A O    1 
HETATM 1069 O O    . HOH   C 3 .   ? -34.90373 -14.64493 -15.66865 1.000 43.42546 ? 912 HOH   A O    1 
HETATM 1070 O O    . HOH   C 3 .   ? -8.79982  -27.90553 -28.82488 1.000 44.66546 ? 913 HOH   A O    1 
HETATM 1071 O O    . HOH   C 3 .   ? -20.553   10.668    10.774    1.000 54.35546 ? 914 HOH   A O    1 
HETATM 1072 O O    . HOH   C 3 .   ? -37.13650 -6.78895  -12.95014 1.000 56.99546 ? 915 HOH   A O    1 
HETATM 1073 O O    . HOH   C 3 .   ? -35.565   -7.734    -24.402   1.000 47.57546 ? 916 HOH   A O    1 
HETATM 1074 O O    . HOH   C 3 .   ? -21.95583 -29.12967 -32.21432 1.000 50.83546 ? 917 HOH   A O    1 
HETATM 1075 O O    . HOH   C 3 .   ? -22.60452 -10.84389 -9.01170  1.000 45.91546 ? 918 HOH   A O    1 
HETATM 1076 O O    . HOH   C 3 .   ? -29.74276 -13.70054 -9.37684  1.000 48.84546 ? 919 HOH   A O    1 
HETATM 1077 O O    . HOH   C 3 .   ? -8.69564  -24.75572 -34.38280 1.000 43.55546 ? 920 HOH   A O    1 
HETATM 1078 O O    . HOH   C 3 .   ? -25.00200 -11.07348 0.00000   0.50  56.25546 ? 921 HOH   A O    1 
HETATM 1079 O O    . HOH   C 3 .   ? -14.254   2.893     11.606    1.000 54.93546 ? 922 HOH   A O    1 
HETATM 1080 O O    . HOH   C 3 .   ? -34.39558 -10.57902 -21.22894 1.000 41.22546 ? 923 HOH   A O    1 
HETATM 1081 O O    . HOH   C 3 .   ? -12.941   2.518     -24.205   1.000 41.25546 ? 924 HOH   A O    1 
HETATM 1082 O O    . HOH   C 3 .   ? -18.30489 -18.56071 -38.71727 1.000 43.28546 ? 925 HOH   A O    1 
HETATM 1083 O O    . HOH   C 3 .   ? -28.52486 11.00281  3.99797   1.000 44.99546 ? 926 HOH   A O    1 
HETATM 1084 O O    . HOH   C 3 .   ? -31.40912 -18.76549 -14.85141 1.000 40.07546 ? 927 HOH   A O    1 
HETATM 1085 O O    . HOH   C 3 .   ? -20.91265 -9.60679  -12.94364 1.000 43.68546 ? 928 HOH   A O    1 
HETATM 1086 O O    . HOH   C 3 .   ? -35.22553 -3.15087  -22.49477 1.000 39.28546 ? 929 HOH   A O    1 
HETATM 1087 O O    . HOH   C 3 .   ? -21.02171 -27.93396 -21.28468 1.000 54.96546 ? 930 HOH   A O    1 
HETATM 1088 O O    . HOH   C 3 .   ? -23.16031 -17.32234 -35.60352 1.000 50.09546 ? 931 HOH   A O    1 
HETATM 1089 O O    . HOH   C 3 .   ? -27.03227 -15.21181 -5.14130  1.000 52.61546 ? 932 HOH   A O    1 
HETATM 1090 O O    . HOH   C 3 .   ? -14.49407 0.60402   -4.52751  1.000 55.80546 ? 933 HOH   A O    1 
HETATM 1091 O O    . HOH   C 3 .   ? -37.39958 -8.95863  -16.39022 1.000 49.24546 ? 934 HOH   A O    1 
HETATM 1092 O O    . HOH   C 3 .   ? -15.60102 -12.10585 -21.03281 1.000 51.48546 ? 935 HOH   A O    1 
HETATM 1093 O O    . HOH   C 3 .   ? -31.31988 -21.25032 -13.59534 1.000 58.10546 ? 936 HOH   A O    1 
HETATM 1094 O O    . HOH   C 3 .   ? -7.36005  -6.18255  -28.01062 1.000 49.31546 ? 937 HOH   A O    1 
HETATM 1095 O O    . HOH   C 3 .   ? -7.04118  -14.63636 -16.39889 1.000 64.72546 ? 938 HOH   A O    1 
HETATM 1096 O O    . HOH   C 3 .   ? -11.76799 -0.96266  -23.83230 1.000 46.91546 ? 939 HOH   A O    1 
HETATM 1097 O O    . HOH   C 3 .   ? -32.07657 -20.57636 -9.89309  1.000 59.45546 ? 940 HOH   A O    1 
HETATM 1098 O O    . HOH   C 3 .   ? -8.50908  -13.60338 -14.64654 1.000 64.33546 ? 941 HOH   A O    1 
HETATM 1099 O O    . HOH   C 3 .   ? -9.838    -0.252    -7.435    1.000 34.71546 ? 942 HOH   A O    1 
HETATM 1100 O O    . HOH   C 3 .   ? -17.85959 -11.13977 -17.79596 1.000 39.37546 ? 943 HOH   A O    1 
HETATM 1101 O O    . HOH   C 3 .   ? -10.28723 -1.94455  -22.02233 1.000 53.97546 ? 944 HOH   A O    1 
HETATM 1102 O O    . HOH   C 3 .   ? -21.25007 -17.41270 -38.88818 1.000 51.39546 ? 945 HOH   A O    1 
HETATM 1103 O O    . HOH   C 3 .   ? -26.39830 -17.42245 -4.15061  1.000 53.94546 ? 946 HOH   A O    1 
HETATM 1104 O O    . HOH   C 3 .   ? -38.83135 -7.71501  -14.93962 1.000 54.21546 ? 947 HOH   A O    1 
HETATM 1105 O O    . HOH   C 3 .   ? -10.562   -1.114    -3.282    1.000 34.71546 ? 948 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   . ASN A 40  ? 1.04998 0.97526 0.59532 0.08760  -0.02272 -0.07271 617 ASN A N   
2    C CA  . ASN A 40  ? 1.04889 0.96744 0.63081 0.08443  -0.03446 -0.06314 617 ASN A CA  
3    C C   . ASN A 40  ? 1.03969 0.94599 0.67269 0.07270  -0.02835 -0.07552 617 ASN A C   
4    O O   . ASN A 40  ? 1.04075 0.95343 0.69074 0.06715  -0.02556 -0.10243 617 ASN A O   
5    C CB  . ASN A 40  ? 1.03380 0.97613 0.61205 0.09017  -0.05838 -0.07422 617 ASN A CB  
6    C CG  . ASN A 40  ? 1.03051 0.96446 0.64485 0.08600  -0.06689 -0.06352 617 ASN A CG  
7    O OD1 . ASN A 40  ? 1.01335 0.92727 0.63319 0.08547  -0.05935 -0.03772 617 ASN A OD1 
8    N ND2 . ASN A 40  ? 1.02681 0.97721 0.66891 0.08151  -0.08014 -0.08672 617 ASN A ND2 
9    N N   . VAL A 41  ? 0.81727 0.70542 0.47387 0.07019  -0.02574 -0.05583 618 VAL A N   
10   C CA  . VAL A 41  ? 0.80419 0.67620 0.49990 0.06415  -0.01944 -0.05926 618 VAL A CA  
11   C C   . VAL A 41  ? 0.79812 0.66367 0.51511 0.06047  -0.02926 -0.05430 618 VAL A C   
12   O O   . VAL A 41  ? 0.78154 0.64785 0.49199 0.06218  -0.03594 -0.03706 618 VAL A O   
13   C CB  . VAL A 41  ? 0.79408 0.65429 0.49755 0.06600  -0.00750 -0.04356 618 VAL A CB  
14   C CG1 . VAL A 41  ? 0.80151 0.64699 0.54008 0.06538  -0.00653 -0.04247 618 VAL A CG1 
15   C CG2 . VAL A 41  ? 0.82568 0.69085 0.51398 0.06718  0.00748  -0.05293 618 VAL A CG2 
16   N N   . VAL A 42  ? 0.61706 0.47364 0.36111 0.05477  -0.02666 -0.06987 619 VAL A N   
17   C CA  . VAL A 42  ? 0.61789 0.46355 0.38236 0.04931  -0.02993 -0.06695 619 VAL A CA  
18   C C   . VAL A 42  ? 0.62124 0.44163 0.39745 0.05123  -0.02282 -0.04729 619 VAL A C   
19   O O   . VAL A 42  ? 0.62577 0.43073 0.41448 0.05420  -0.01364 -0.04975 619 VAL A O   
20   C CB  . VAL A 42  ? 0.62266 0.46930 0.41124 0.04119  -0.02635 -0.09563 619 VAL A CB  
21   C CG1 . VAL A 42  ? 0.61809 0.44922 0.42850 0.03373  -0.02393 -0.09242 619 VAL A CG1 
22   C CG2 . VAL A 42  ? 0.62138 0.50225 0.39724 0.04178  -0.03792 -0.11919 619 VAL A CG2 
23   N N   . ILE A 43  ? 0.66168 0.47965 0.43389 0.05126  -0.02783 -0.02882 620 ILE A N   
24   C CA  . ILE A 43  ? 0.66330 0.46361 0.44092 0.05481  -0.02443 -0.01146 620 ILE A CA  
25   C C   . ILE A 43  ? 0.66181 0.44476 0.44801 0.04843  -0.02147 -0.00869 620 ILE A C   
26   O O   . ILE A 43  ? 0.66703 0.45843 0.45708 0.04055  -0.02487 -0.01578 620 ILE A O   
27   C CB  . ILE A 43  ? 0.62806 0.44057 0.39632 0.05841  -0.02898 0.00406  620 ILE A CB  
28   C CG1 . ILE A 43  ? 0.61960 0.44548 0.38024 0.06268  -0.02573 0.00071  620 ILE A CG1 
29   C CG2 . ILE A 43  ? 0.62181 0.42435 0.39516 0.06344  -0.02888 0.01702  620 ILE A CG2 
30   C CD1 . ILE A 43  ? 0.64842 0.46957 0.42110 0.06942  -0.01989 -0.00293 620 ILE A CD1 
31   N N   . TYR A 44  ? 0.67433 0.43262 0.46280 0.05326  -0.01440 0.00214  621 TYR A N   
32   C CA  . TYR A 44  ? 0.67526 0.40948 0.46557 0.04785  -0.00594 0.00835  621 TYR A CA  
33   C C   . TYR A 44  ? 0.65438 0.38063 0.42834 0.05646  -0.00874 0.03034  621 TYR A C   
34   O O   . TYR A 44  ? 0.63794 0.36059 0.40666 0.07046  -0.01170 0.03935  621 TYR A O   
35   C CB  . TYR A 44  ? 0.69395 0.39701 0.49813 0.04665  0.01073  0.00053  621 TYR A CB  
36   C CG  . TYR A 44  ? 0.68833 0.35882 0.49259 0.04013  0.02654  0.00810  621 TYR A CG  
37   C CD1 . TYR A 44  ? 0.69253 0.36888 0.51082 0.02390  0.03158  -0.00651 621 TYR A CD1 
38   C CD2 . TYR A 44  ? 0.69602 0.32902 0.48630 0.05139  0.03791  0.02923  621 TYR A CD2 
39   C CE1 . TYR A 44  ? 0.69550 0.34074 0.51604 0.01548  0.05092  -0.00205 621 TYR A CE1 
40   C CE2 . TYR A 44  ? 0.72000 0.31729 0.50359 0.04534  0.05736  0.03865  621 TYR A CE2 
41   C CZ  . TYR A 44  ? 0.72469 0.32772 0.52487 0.02546  0.06575  0.02183  621 TYR A CZ  
42   O OH  . TYR A 44  ? 0.73119 0.29813 0.52743 0.01673  0.08959  0.02843  621 TYR A OH  
43   N N   . ALA A 45  ? 0.66202 0.38898 0.43005 0.04873  -0.00847 0.03589  622 ALA A N   
44   C CA  . ALA A 45  ? 0.65258 0.37268 0.40208 0.05487  -0.00952 0.05316  622 ALA A CA  
45   C C   . ALA A 45  ? 0.67420 0.36730 0.41832 0.04486  0.00573  0.05643  622 ALA A C   
46   O O   . ALA A 45  ? 0.68257 0.37747 0.44464 0.02998  0.01217  0.04197  622 ALA A O   
47   C CB  . ALA A 45  ? 0.61752 0.37048 0.36655 0.05342  -0.02170 0.05381  622 ALA A CB  
48   N N   . ASP A 46  ? 0.81882 0.48718 0.53795 0.05419  0.01225  0.07441  623 ASP A N   
49   C CA  . ASP A 46  ? 0.84645 0.48310 0.55360 0.04499  0.03205  0.08052  623 ASP A CA  
50   C C   . ASP A 46  ? 0.84604 0.48553 0.51954 0.05224  0.02780  0.09679  623 ASP A C   
51   O O   . ASP A 46  ? 0.83145 0.49640 0.49420 0.06641  0.00916  0.10204  623 ASP A O   
52   C CB  . ASP A 46  ? 0.86116 0.44971 0.56531 0.04947  0.05377  0.08766  623 ASP A CB  
53   C CG  . ASP A 46  ? 0.87735 0.44842 0.55554 0.07543  0.04827  0.10970  623 ASP A CG  
54   O OD1 . ASP A 46  ? 0.88368 0.47844 0.54022 0.08958  0.02908  0.12010  623 ASP A OD1 
55   O OD2 . ASP A 46  ? 0.88556 0.42074 0.56906 0.08239  0.06333  0.11440  623 ASP A OD2 
56   N N   . GLY A 47  ? 0.75453 0.36960 0.41314 0.04179  0.04673  0.10152  624 GLY A N   
57   C CA  . GLY A 47  ? 0.75035 0.37052 0.37429 0.04597  0.04473  0.11319  624 GLY A CA  
58   C C   . GLY A 47  ? 0.78204 0.38354 0.40319 0.02576  0.06833  0.10879  624 GLY A C   
59   O O   . GLY A 47  ? 0.77629 0.36345 0.42770 0.00838  0.08544  0.09476  624 GLY A O   
60   N N   . VAL A 48  ? 0.79432 0.39908 0.37978 0.02839  0.06948  0.11798  625 VAL A N   
61   C CA  . VAL A 48  ? 0.80871 0.39656 0.38781 0.00887  0.09426  0.11329  625 VAL A CA  
62   C C   . VAL A 48  ? 0.76541 0.39479 0.38872 -0.01068 0.08651  0.08785  625 VAL A C   
63   O O   . VAL A 48  ? 0.77432 0.39659 0.42841 -0.03096 0.10407  0.07200  625 VAL A O   
64   C CB  . VAL A 48  ? 0.84659 0.42102 0.36340 0.02037  0.10009  0.13283  625 VAL A CB  
65   C CG1 . VAL A 48  ? 0.86842 0.42391 0.37798 -0.00222 0.13020  0.12617  625 VAL A CG1 
66   C CG2 . VAL A 48  ? 0.87141 0.41755 0.35969 0.04420  0.10273  0.15598  625 VAL A CG2 
67   N N   . TYR A 49  ? 0.73602 0.40903 0.36651 -0.00413 0.06158  0.08249  626 TYR A N   
68   C CA  . TYR A 49  ? 0.70976 0.41900 0.38000 -0.01932 0.05540  0.06202  626 TYR A CA  
69   C C   . TYR A 49  ? 0.74343 0.44735 0.40976 -0.03696 0.07586  0.05376  626 TYR A C   
70   O O   . TYR A 49  ? 0.72475 0.44285 0.43314 -0.05343 0.08081  0.03528  626 TYR A O   
71   C CB  . TYR A 49  ? 0.68717 0.40394 0.40484 -0.02645 0.05090  0.04845  626 TYR A CB  
72   C CG  . TYR A 49  ? 0.65928 0.38224 0.37803 -0.01047 0.03329  0.05473  626 TYR A CG  
73   C CD1 . TYR A 49  ? 0.63358 0.38845 0.35712 -0.00091 0.01380  0.05470  626 TYR A CD1 
74   C CD2 . TYR A 49  ? 0.66510 0.36159 0.38374 -0.00643 0.03963  0.05796  626 TYR A CD2 
75   C CE1 . TYR A 49  ? 0.61744 0.37788 0.34294 0.01216  0.00114  0.05849  626 TYR A CE1 
76   C CE2 . TYR A 49  ? 0.65903 0.36262 0.38011 0.00726  0.02519  0.06117  626 TYR A CE2 
77   C CZ  . TYR A 49  ? 0.62943 0.36512 0.35283 0.01639  0.00602  0.06172  626 TYR A CZ  
78   O OH  . TYR A 49  ? 0.60970 0.35305 0.33695 0.02847  -0.00528 0.06294  626 TYR A OH  
79   N N   . ASP A 50  ? 0.75161 0.43569 0.36618 -0.03223 0.08804  0.06711  627 ASP A N   
80   C CA  . ASP A 50  ? 0.77536 0.45980 0.38003 -0.04848 0.10723  0.05789  627 ASP A CA  
81   C C   . ASP A 50  ? 0.72888 0.46344 0.35630 -0.05206 0.09038  0.04067  627 ASP A C   
82   O O   . ASP A 50  ? 0.71163 0.47418 0.33285 -0.03688 0.06728  0.04290  627 ASP A O   
83   C CB  . ASP A 50  ? 0.81989 0.47103 0.35191 -0.03866 0.12335  0.07915  627 ASP A CB  
84   C CG  . ASP A 50  ? 0.86642 0.49549 0.38510 -0.05998 0.15772  0.07197  627 ASP A CG  
85   O OD1 . ASP A 50  ? 0.85704 0.49296 0.43031 -0.08279 0.17037  0.04942  627 ASP A OD1 
86   O OD2 . ASP A 50  ? 0.93103 0.53560 0.38284 -0.05281 0.17294  0.08874  627 ASP A OD2 
87   N N   . MET A 51  ? 0.72205 0.46808 0.38251 -0.07284 0.10413  0.02077  628 MET A N   
88   C CA  . MET A 51  ? 0.71837 0.50778 0.40816 -0.07917 0.09456  0.00173  628 MET A CA  
89   C C   . MET A 51  ? 0.67137 0.49059 0.39129 -0.06682 0.06797  0.00071  628 MET A C   
90   O O   . MET A 51  ? 0.64380 0.49235 0.35697 -0.05902 0.05497  -0.00378 628 MET A O   
91   C CB  . MET A 51  ? 0.73381 0.53489 0.37572 -0.07775 0.09940  -0.00011 628 MET A CB  
92   C CG  . MET A 51  ? 0.78755 0.55565 0.39290 -0.09061 0.13042  0.00220  628 MET A CG  
93   S SD  . MET A 51  ? 0.81158 0.59789 0.35369 -0.08868 0.13621  -0.00260 628 MET A SD  
94   C CE  . MET A 51  ? 0.81438 0.60996 0.30185 -0.05356 0.10450  0.02035  628 MET A CE  
95   N N   . LEU A 52  ? 0.66774 0.48053 0.42251 -0.06574 0.06172  0.00230  629 LEU A N   
96   C CA  . LEU A 52  ? 0.63436 0.46589 0.41047 -0.05347 0.04099  0.00522  629 LEU A CA  
97   C C   . LEU A 52  ? 0.60079 0.46744 0.40137 -0.05535 0.03513  -0.00764 629 LEU A C   
98   O O   . LEU A 52  ? 0.58186 0.46006 0.41559 -0.06860 0.04453  -0.02240 629 LEU A O   
99   C CB  . LEU A 52  ? 0.59543 0.42186 0.41030 -0.05572 0.03788  0.00247  629 LEU A CB  
100  C CG  . LEU A 52  ? 0.57707 0.41427 0.40311 -0.04203 0.01999  0.00913  629 LEU A CG  
101  C CD1 . LEU A 52  ? 0.59639 0.41417 0.38996 -0.03026 0.01505  0.02255  629 LEU A CD1 
102  C CD2 . LEU A 52  ? 0.53637 0.37957 0.40159 -0.04298 0.01486  0.00325  629 LEU A CD2 
103  N N   . HIS A 53  ? 0.62114 0.50508 0.41148 -0.04244 0.02139  -0.00457 630 HIS A N   
104  C CA  . HIS A 53  ? 0.62208 0.54022 0.43984 -0.04442 0.01832  -0.02016 630 HIS A CA  
105  C C   . HIS A 53  ? 0.60966 0.53661 0.44722 -0.03351 0.00726  -0.01593 630 HIS A C   
106  O O   . HIS A 53  ? 0.59726 0.50637 0.42275 -0.02362 0.00001  -0.00124 630 HIS A O   
107  C CB  . HIS A 53  ? 0.63066 0.57029 0.41682 -0.04122 0.01561  -0.02937 630 HIS A CB  
108  C CG  . HIS A 53  ? 0.65808 0.58818 0.39514 -0.02210 0.00275  -0.01324 630 HIS A CG  
109  N ND1 . HIS A 53  ? 0.65414 0.60107 0.39595 -0.00676 -0.01332 -0.01232 630 HIS A ND1 
110  C CD2 . HIS A 53  ? 0.68785 0.59069 0.37183 -0.01469 0.00566  0.00317  630 HIS A CD2 
111  C CE1 . HIS A 53  ? 0.67241 0.60552 0.36833 0.01092  -0.02277 0.00358  630 HIS A CE1 
112  N NE2 . HIS A 53  ? 0.70062 0.60445 0.35858 0.00718  -0.01088 0.01512  630 HIS A NE2 
113  N N   . LEU A 54  ? 0.57063 0.52541 0.44071 -0.03679 0.00926  -0.03161 631 LEU A N   
114  C CA  . LEU A 54  ? 0.56164 0.52486 0.45363 -0.02909 0.00521  -0.03075 631 LEU A CA  
115  C C   . LEU A 54  ? 0.57159 0.53541 0.43323 -0.01324 -0.00907 -0.02240 631 LEU A C   
116  O O   . LEU A 54  ? 0.57826 0.53747 0.44989 -0.00623 -0.01145 -0.01602 631 LEU A O   
117  C CB  . LEU A 54  ? 0.52514 0.51928 0.45845 -0.03730 0.01448  -0.05421 631 LEU A CB  
118  C CG  . LEU A 54  ? 0.53206 0.53252 0.49949 -0.03429 0.02022  -0.05729 631 LEU A CG  
119  C CD1 . LEU A 54  ? 0.51766 0.48672 0.49407 -0.03178 0.02650  -0.03639 631 LEU A CD1 
120  C CD2 . LEU A 54  ? 0.48766 0.51760 0.50284 -0.04608 0.03498  -0.08557 631 LEU A CD2 
121  N N   . GLY A 55  ? 0.54946 0.51684 0.37259 -0.00602 -0.01755 -0.02121 632 GLY A N   
122  C CA  . GLY A 55  ? 0.55989 0.52451 0.35508 0.01245  -0.03180 -0.01106 632 GLY A CA  
123  C C   . GLY A 55  ? 0.55608 0.48390 0.33704 0.01760  -0.03190 0.00998  632 GLY A C   
124  O O   . GLY A 55  ? 0.54035 0.46700 0.32874 0.02670  -0.03748 0.01391  632 GLY A O   
125  N N   . HIS A 56  ? 0.67904 0.57840 0.44353 0.01042  -0.02373 0.01993  633 HIS A N   
126  C CA  . HIS A 56  ? 0.67104 0.54065 0.43180 0.01232  -0.02216 0.03280  633 HIS A CA  
127  C C   . HIS A 56  ? 0.65132 0.52747 0.44456 0.01004  -0.02285 0.02992  633 HIS A C   
128  O O   . HIS A 56  ? 0.63212 0.50150 0.42318 0.01865  -0.02781 0.03561  633 HIS A O   
129  C CB  . HIS A 56  ? 0.67594 0.52050 0.42942 0.00058  -0.00977 0.03573  633 HIS A CB  
130  C CG  . HIS A 56  ? 0.71040 0.54359 0.42792 0.00015  -0.00242 0.03977  633 HIS A CG  
131  N ND1 . HIS A 56  ? 0.73223 0.54151 0.40933 0.01381  -0.00292 0.05531  633 HIS A ND1 
132  C CD2 . HIS A 56  ? 0.73520 0.57465 0.44797 -0.01152 0.00783  0.03141  633 HIS A CD2 
133  C CE1 . HIS A 56  ? 0.76468 0.56431 0.40768 0.01200  0.00664  0.05901  633 HIS A CE1 
134  N NE2 . HIS A 56  ? 0.76601 0.58506 0.42975 -0.00456 0.01354  0.04312  633 HIS A NE2 
135  N N   . MET A 57  ? 0.63878 0.52617 0.46064 -0.00067 -0.01627 0.02176  634 MET A N   
136  C CA  . MET A 57  ? 0.61429 0.50232 0.46066 -0.00043 -0.01475 0.02349  634 MET A CA  
137  C C   . MET A 57  ? 0.61455 0.51208 0.46442 0.00846  -0.01713 0.02395  634 MET A C   
138  O O   . MET A 57  ? 0.60389 0.49181 0.45084 0.01433  -0.01839 0.03137  634 MET A O   
139  C CB  . MET A 57  ? 0.61312 0.51121 0.49137 -0.01054 -0.00539 0.01538  634 MET A CB  
140  C CG  . MET A 57  ? 0.59960 0.49073 0.48203 -0.02065 -0.00092 0.01119  634 MET A CG  
141  S SD  . MET A 57  ? 0.59265 0.49910 0.51896 -0.03198 0.01175  -0.00201 634 MET A SD  
142  C CE  . MET A 57  ? 0.57004 0.46830 0.50055 -0.04405 0.01757  -0.00949 634 MET A CE  
143  N N   . LYS A 58  ? 0.62369 0.54297 0.48108 0.00940  -0.01720 0.01304  635 LYS A N   
144  C CA  . LYS A 58  ? 0.63423 0.56552 0.50315 0.01630  -0.01694 0.00851  635 LYS A CA  
145  C C   . LYS A 58  ? 0.64490 0.56565 0.48923 0.02876  -0.02708 0.01672  635 LYS A C   
146  O O   . LYS A 58  ? 0.64919 0.56798 0.49954 0.03342  -0.02430 0.01782  635 LYS A O   
147  C CB  . LYS A 58  ? 0.64987 0.61440 0.54024 0.01452  -0.01615 -0.01199 635 LYS A CB  
148  C CG  . LYS A 58  ? 0.64830 0.62408 0.57549 0.00087  -0.00053 -0.02459 635 LYS A CG  
149  C CD  . LYS A 58  ? 0.63056 0.64553 0.58482 -0.00269 0.00077  -0.05226 635 LYS A CD  
150  C CE  . LYS A 58  ? 0.64411 0.67652 0.62152 0.00292  0.00318  -0.06450 635 LYS A CE  
151  N NZ  . LYS A 58  ? 0.63430 0.70946 0.65374 -0.00394 0.00874  -0.09857 635 LYS A NZ  
152  N N   . GLN A 59  ? 0.67705 0.58802 0.49380 0.03422  -0.03578 0.02272  636 GLN A N   
153  C CA  . GLN A 59  ? 0.67078 0.56706 0.46807 0.04670  -0.04280 0.03106  636 GLN A CA  
154  C C   . GLN A 59  ? 0.65716 0.52984 0.45034 0.04383  -0.03868 0.03912  636 GLN A C   
155  O O   . GLN A 59  ? 0.64405 0.51204 0.43631 0.05081  -0.03985 0.03997  636 GLN A O   
156  C CB  . GLN A 59  ? 0.68856 0.57368 0.45556 0.05456  -0.04892 0.03853  636 GLN A CB  
157  C CG  . GLN A 59  ? 0.70799 0.58072 0.46013 0.07126  -0.05591 0.04618  636 GLN A CG  
158  C CD  . GLN A 59  ? 0.74010 0.60949 0.46167 0.08547  -0.06366 0.05394  636 GLN A CD  
159  O OE1 . GLN A 59  ? 0.74908 0.62639 0.46561 0.10461  -0.07491 0.05513  636 GLN A OE1 
160  N NE2 . GLN A 59  ? 0.74454 0.60205 0.44397 0.07777  -0.05731 0.05947  636 GLN A NE2 
161  N N   . LEU A 60  ? 0.61488 0.47639 0.40813 0.03385  -0.03427 0.04169  637 LEU A N   
162  C CA  . LEU A 60  ? 0.60047 0.44972 0.39446 0.03199  -0.03327 0.04395  637 LEU A CA  
163  C C   . LEU A 60  ? 0.61116 0.46989 0.41530 0.03445  -0.03090 0.04378  637 LEU A C   
164  O O   . LEU A 60  ? 0.59511 0.44807 0.39081 0.03931  -0.03207 0.04481  637 LEU A O   
165  C CB  . LEU A 60  ? 0.59356 0.43710 0.39419 0.02199  -0.03055 0.04230  637 LEU A CB  
166  C CG  . LEU A 60  ? 0.61097 0.43802 0.39945 0.01724  -0.02643 0.04261  637 LEU A CG  
167  C CD1 . LEU A 60  ? 0.61591 0.44192 0.42050 0.00554  -0.02149 0.03609  637 LEU A CD1 
168  C CD2 . LEU A 60  ? 0.60728 0.41408 0.38276 0.02248  -0.02578 0.04481  637 LEU A CD2 
169  N N   . GLU A 61  ? 0.60556 0.47696 0.42722 0.03065  -0.02462 0.04185  638 GLU A N   
170  C CA  . GLU A 61  ? 0.60400 0.47730 0.43310 0.03309  -0.01616 0.04450  638 GLU A CA  
171  C C   . GLU A 61  ? 0.62269 0.49849 0.44646 0.03964  -0.01466 0.04127  638 GLU A C   
172  O O   . GLU A 61  ? 0.61850 0.48675 0.43076 0.04382  -0.01064 0.04535  638 GLU A O   
173  C CB  . GLU A 61  ? 0.62073 0.50466 0.47655 0.02677  -0.00426 0.04023  638 GLU A CB  
174  C CG  . GLU A 61  ? 0.63352 0.51045 0.49641 0.02888  0.01126  0.04655  638 GLU A CG  
175  C CD  . GLU A 61  ? 0.64325 0.52843 0.54113 0.02093  0.02872  0.03885  638 GLU A CD  
176  O OE1 . GLU A 61  ? 0.65223 0.55668 0.56922 0.01407  0.02614  0.02366  638 GLU A OE1 
177  O OE2 . GLU A 61  ? 0.64213 0.51379 0.54731 0.02203  0.04650  0.04744  638 GLU A OE2 
178  N N   . GLN A 62  ? 0.61053 0.49898 0.44209 0.04192  -0.01836 0.03267  639 GLN A N   
179  C CA  . GLN A 62  ? 0.63687 0.53170 0.47209 0.04914  -0.01735 0.02619  639 GLN A CA  
180  C C   . GLN A 62  ? 0.63489 0.51311 0.44892 0.05516  -0.02248 0.03114  639 GLN A C   
181  O O   . GLN A 62  ? 0.64059 0.51698 0.45315 0.05774  -0.01566 0.02853  639 GLN A O   
182  C CB  . GLN A 62  ? 0.66083 0.57629 0.50824 0.05471  -0.02586 0.01530  639 GLN A CB  
183  C CG  . GLN A 62  ? 0.67645 0.60608 0.53979 0.06308  -0.02527 0.00368  639 GLN A CG  
184  C CD  . GLN A 62  ? 0.71226 0.66723 0.58605 0.07373  -0.03951 -0.00773 639 GLN A CD  
185  O OE1 . GLN A 62  ? 0.69586 0.65659 0.55879 0.07436  -0.04863 -0.00574 639 GLN A OE1 
186  N NE2 . GLN A 62  ? 0.73591 0.70814 0.63000 0.08355  -0.04190 -0.02093 639 GLN A NE2 
187  N N   . ALA A 63  ? 0.64849 0.51356 0.44771 0.05591  -0.03115 0.03622  640 ALA A N   
188  C CA  . ALA A 63  ? 0.64977 0.49911 0.43575 0.05924  -0.03303 0.03666  640 ALA A CA  
189  C C   . ALA A 63  ? 0.64028 0.48809 0.41822 0.05621  -0.02887 0.03644  640 ALA A C   
190  O O   . ALA A 63  ? 0.66089 0.50720 0.43236 0.05977  -0.02570 0.03144  640 ALA A O   
191  C CB  . ALA A 63  ? 0.61482 0.44749 0.39159 0.05728  -0.03702 0.04049  640 ALA A CB  
192  N N   . LYS A 64  ? 0.54933 0.39868 0.32643 0.05129  -0.02912 0.04147  641 LYS A N   
193  C CA  . LYS A 64  ? 0.55732 0.40639 0.32106 0.05316  -0.02904 0.04369  641 LYS A CA  
194  C C   . LYS A 64  ? 0.58189 0.43228 0.33637 0.05752  -0.01803 0.04562  641 LYS A C   
195  O O   . LYS A 64  ? 0.59864 0.44783 0.33168 0.06212  -0.01806 0.04534  641 LYS A O   
196  C CB  . LYS A 64  ? 0.54694 0.39811 0.31644 0.05079  -0.03075 0.05069  641 LYS A CB  
197  C CG  . LYS A 64  ? 0.56331 0.41502 0.31561 0.05851  -0.03176 0.05777  641 LYS A CG  
198  C CD  . LYS A 64  ? 0.57253 0.42975 0.31220 0.06206  -0.04499 0.04785  641 LYS A CD  
199  C CE  . LYS A 64  ? 0.57513 0.43872 0.29377 0.07385  -0.05200 0.05380  641 LYS A CE  
200  N NZ  . LYS A 64  ? 0.60741 0.48217 0.30820 0.07827  -0.06226 0.03843  641 LYS A NZ  
201  N N   . LYS A 65  ? 0.66616 0.52086 0.43690 0.05591  -0.00757 0.04465  642 LYS A N   
202  C CA  . LYS A 65  ? 0.68534 0.53908 0.45430 0.05685  0.00990  0.04589  642 LYS A CA  
203  C C   . LYS A 65  ? 0.70856 0.56818 0.48721 0.05829  0.01560  0.03318  642 LYS A C   
204  O O   . LYS A 65  ? 0.74186 0.60205 0.52657 0.05683  0.03404  0.02993  642 LYS A O   
205  C CB  . LYS A 65  ? 0.68358 0.53960 0.47508 0.05172  0.02299  0.04946  642 LYS A CB  
206  C CG  . LYS A 65  ? 0.66596 0.51395 0.45170 0.05188  0.02089  0.06274  642 LYS A CG  
207  C CD  . LYS A 65  ? 0.68052 0.52747 0.49350 0.04606  0.03921  0.06469  642 LYS A CD  
208  C CE  . LYS A 65  ? 0.66126 0.49809 0.47215 0.04846  0.03791  0.07860  642 LYS A CE  
209  N NZ  . LYS A 65  ? 0.65267 0.48857 0.49867 0.04093  0.05659  0.07689  642 LYS A NZ  
210  N N   . LEU A 66  ? 0.62834 0.42496 0.58043 -0.02980 0.14891  -0.01205 643 LEU A N   
211  C CA  . LEU A 66  ? 0.62025 0.42883 0.59222 -0.03739 0.16556  -0.03617 643 LEU A CA  
212  C C   . LEU A 66  ? 0.70133 0.46261 0.61293 -0.04528 0.19819  -0.02862 643 LEU A C   
213  O O   . LEU A 66  ? 0.71199 0.46537 0.64586 -0.05669 0.23560  -0.04717 643 LEU A O   
214  C CB  . LEU A 66  ? 0.58712 0.42838 0.56838 -0.02822 0.13235  -0.04497 643 LEU A CB  
215  C CG  . LEU A 66  ? 0.51527 0.40043 0.55679 -0.02139 0.10615  -0.05654 643 LEU A CG  
216  C CD1 . LEU A 66  ? 0.47856 0.38357 0.51559 -0.00927 0.07335  -0.05831 643 LEU A CD1 
217  C CD2 . LEU A 66  ? 0.46957 0.38533 0.57983 -0.02861 0.12534  -0.08258 643 LEU A CD2 
218  N N   . PHE A 67  ? 0.76599 0.49611 0.60074 -0.04011 0.18527  -0.00205 644 PHE A N   
219  C CA  . PHE A 67  ? 0.83455 0.51339 0.59471 -0.04796 0.21364  0.00824  644 PHE A CA  
220  C C   . PHE A 67  ? 0.87186 0.51089 0.57008 -0.04021 0.21416  0.04355  644 PHE A C   
221  O O   . PHE A 67  ? 0.85371 0.50921 0.55907 -0.02644 0.18368  0.06296  644 PHE A O   
222  C CB  . PHE A 67  ? 0.83414 0.51207 0.54466 -0.05102 0.19731  0.00440  644 PHE A CB  
223  C CG  . PHE A 67  ? 0.79794 0.50415 0.56261 -0.05510 0.20451  -0.02618 644 PHE A CG  
224  C CD1 . PHE A 67  ? 0.82343 0.51113 0.60378 -0.06656 0.25012  -0.04579 644 PHE A CD1 
225  C CD2 . PHE A 67  ? 0.72654 0.47639 0.53054 -0.04556 0.16892  -0.03446 644 PHE A CD2 
226  C CE1 . PHE A 67  ? 0.75121 0.46850 0.58970 -0.06565 0.25740  -0.07128 644 PHE A CE1 
227  C CE2 . PHE A 67  ? 0.68039 0.45376 0.53327 -0.04414 0.17621  -0.05830 644 PHE A CE2 
228  C CZ  . PHE A 67  ? 0.69291 0.45287 0.56609 -0.05269 0.21916  -0.07588 644 PHE A CZ  
229  N N   . GLU A 68  ? 1.02576 0.60865 0.66062 -0.04767 0.25160  0.05315  645 GLU A N   
230  C CA  . GLU A 68  ? 1.07058 0.60721 0.64173 -0.03690 0.25875  0.09020  645 GLU A CA  
231  C C   . GLU A 68  ? 1.07407 0.62627 0.59136 -0.02111 0.20645  0.11950  645 GLU A C   
232  O O   . GLU A 68  ? 1.07814 0.62221 0.58113 -0.00296 0.19341  0.15170  645 GLU A O   
233  C CB  . GLU A 68  ? 1.14828 0.61545 0.64828 -0.04815 0.30941  0.09492  645 GLU A CB  
234  N N   . ASN A 69  ? 1.12843 0.70394 0.61885 -0.02801 0.17813  0.10815  646 ASN A N   
235  C CA  . ASN A 69  ? 1.14964 0.74735 0.59169 -0.01831 0.12792  0.12998  646 ASN A CA  
236  C C   . ASN A 69  ? 1.09046 0.74491 0.58361 -0.02257 0.09319  0.10550  646 ASN A C   
237  O O   . ASN A 69  ? 1.08877 0.74471 0.57009 -0.03843 0.09914  0.08001  646 ASN A O   
238  C CB  . ASN A 69  ? 1.22224 0.78127 0.55407 -0.02733 0.12990  0.14173  646 ASN A CB  
239  C CG  . ASN A 69  ? 1.30244 0.82308 0.56452 -0.00986 0.12969  0.18560  646 ASN A CG  
240  O OD1 . ASN A 69  ? 1.31036 0.86067 0.57280 0.01038  0.08878  0.21390  646 ASN A OD1 
241  N ND2 . ASN A 69  ? 1.37757 0.83020 0.58040 -0.01587 0.17768  0.19278  646 ASN A ND2 
242  N N   . THR A 70  ? 0.90334 0.59802 0.44872 -0.00829 0.06104  0.11402  647 THR A N   
243  C CA  . THR A 70  ? 0.84136 0.58279 0.43842 -0.01108 0.03394  0.09130  647 THR A CA  
244  C C   . THR A 70  ? 0.81811 0.59533 0.41323 -0.00030 -0.01218 0.10898  647 THR A C   
245  O O   . THR A 70  ? 0.83432 0.60892 0.41167 0.01502  -0.02474 0.14089  647 THR A O   
246  C CB  . THR A 70  ? 0.79131 0.55050 0.47495 -0.00773 0.04649  0.07357  647 THR A CB  
247  O OG1 . THR A 70  ? 0.78251 0.54014 0.49254 0.00635  0.04531  0.09552  647 THR A OG1 
248  C CG2 . THR A 70  ? 0.81357 0.55091 0.51475 -0.01905 0.08949  0.05225  647 THR A CG2 
249  N N   . THR A 71  ? 0.75683 0.56686 0.37280 -0.00789 -0.03453 0.08754  648 THR A N   
250  C CA  . THR A 71  ? 0.71294 0.56452 0.35681 -0.00030 -0.07295 0.09359  648 THR A CA  
251  C C   . THR A 71  ? 0.64915 0.51918 0.36376 0.00065  -0.07119 0.07067  648 THR A C   
252  O O   . THR A 71  ? 0.63538 0.50408 0.35483 -0.01019 -0.06200 0.04427  648 THR A O   
253  C CB  . THR A 71  ? 0.73925 0.60960 0.33168 -0.01401 -0.10038 0.08777  648 THR A CB  
254  O OG1 . THR A 71  ? 0.81877 0.67644 0.34142 -0.01155 -0.10940 0.11428  648 THR A OG1 
255  C CG2 . THR A 71  ? 0.69572 0.61295 0.33029 -0.01051 -0.13511 0.08537  648 THR A CG2 
256  N N   . LEU A 72  ? 0.65185 0.53408 0.41732 0.01461  -0.07698 0.08190  649 LEU A N   
257  C CA  . LEU A 72  ? 0.59084 0.48425 0.41568 0.01628  -0.07368 0.06295  649 LEU A CA  
258  C C   . LEU A 72  ? 0.55931 0.48140 0.40357 0.01743  -0.10157 0.05880  649 LEU A C   
259  O O   . LEU A 72  ? 0.53720 0.47577 0.39065 0.02638  -0.11968 0.07874  649 LEU A O   
260  C CB  . LEU A 72  ? 0.57319 0.45615 0.43863 0.02581  -0.05700 0.07264  649 LEU A CB  
261  C CG  . LEU A 72  ? 0.51239 0.40769 0.43270 0.02687  -0.05793 0.05459  649 LEU A CG  
262  C CD1 . LEU A 72  ? 0.49278 0.39183 0.42423 0.01948  -0.05026 0.02642  649 LEU A CD1 
263  C CD2 . LEU A 72  ? 0.50358 0.38580 0.45622 0.03153  -0.03956 0.06288  649 LEU A CD2 
264  N N   . ILE A 73  ? 0.58232 0.50876 0.43430 0.00936  -0.10207 0.03353  650 ILE A N   
265  C CA  . ILE A 73  ? 0.56818 0.51365 0.43977 0.00764  -0.12003 0.02377  650 ILE A CA  
266  C C   . ILE A 73  ? 0.50461 0.44410 0.41991 0.01486  -0.11151 0.01324  650 ILE A C   
267  O O   . ILE A 73  ? 0.50131 0.42838 0.42240 0.01567  -0.09593 0.00071  650 ILE A O   
268  C CB  . ILE A 73  ? 0.58670 0.53211 0.42444 -0.00802 -0.12214 0.00290  650 ILE A CB  
269  C CG1 . ILE A 73  ? 0.62867 0.57581 0.41104 -0.01904 -0.12879 0.01061  650 ILE A CG1 
270  C CG2 . ILE A 73  ? 0.55117 0.51406 0.40793 -0.01289 -0.13690 -0.00816 650 ILE A CG2 
271  C CD1 . ILE A 73  ? 0.66021 0.59712 0.40131 -0.03886 -0.12135 -0.01336 650 ILE A CD1 
272  N N   . VAL A 74  ? 0.51419 0.46360 0.46061 0.02046  -0.12145 0.01880  651 VAL A N   
273  C CA  . VAL A 74  ? 0.45706 0.39661 0.43582 0.02574  -0.11400 0.00978  651 VAL A CA  
274  C C   . VAL A 74  ? 0.44404 0.38552 0.42761 0.02206  -0.12147 -0.00352 651 VAL A C   
275  O O   . VAL A 74  ? 0.45064 0.40934 0.44091 0.01865  -0.13371 0.00140  651 VAL A O   
276  C CB  . VAL A 74  ? 0.46136 0.39836 0.47037 0.03359  -0.10914 0.02629  651 VAL A CB  
277  C CG1 . VAL A 74  ? 0.42616 0.34979 0.45962 0.03481  -0.10104 0.01363  651 VAL A CG1 
278  C CG2 . VAL A 74  ? 0.47014 0.39868 0.47019 0.03546  -0.09589 0.03900  651 VAL A CG2 
279  N N   . GLY A 75  ? 0.49885 0.42356 0.47853 0.02300  -0.11339 -0.02054 652 GLY A N   
280  C CA  . GLY A 75  ? 0.49022 0.40497 0.46894 0.02003  -0.11328 -0.03357 652 GLY A CA  
281  C C   . GLY A 75  ? 0.48563 0.38508 0.48545 0.02690  -0.10879 -0.03392 652 GLY A C   
282  O O   . GLY A 75  ? 0.46264 0.35398 0.46597 0.03350  -0.10450 -0.03419 652 GLY A O   
283  N N   . VAL A 76  ? 0.53668 0.43375 0.55106 0.02311  -0.10896 -0.03572 653 VAL A N   
284  C CA  . VAL A 76  ? 0.53746 0.41328 0.56701 0.02668  -0.10053 -0.03700 653 VAL A CA  
285  C C   . VAL A 76  ? 0.54048 0.38639 0.54973 0.02482  -0.09065 -0.05318 653 VAL A C   
286  O O   . VAL A 76  ? 0.54149 0.38963 0.55409 0.01573  -0.08769 -0.06126 653 VAL A O   
287  C CB  . VAL A 76  ? 0.53515 0.42500 0.60248 0.02546  -0.10096 -0.02497 653 VAL A CB  
288  C CG1 . VAL A 76  ? 0.56552 0.42624 0.64425 0.02747  -0.08639 -0.02670 653 VAL A CG1 
289  C CG2 . VAL A 76  ? 0.53940 0.45567 0.61955 0.02990  -0.10943 -0.00510 653 VAL A CG2 
290  N N   . THR A 77  ? 0.71754 0.40047 0.44232 0.03913  -0.00838 0.04119  654 THR A N   
291  C CA  . THR A 77  ? 0.73501 0.38529 0.44198 0.04826  0.00527  0.05358  654 THR A CA  
292  C C   . THR A 77  ? 0.74063 0.37867 0.43816 0.03795  0.01590  0.05644  654 THR A C   
293  O O   . THR A 77  ? 0.73677 0.39557 0.43753 0.03084  0.00942  0.05175  654 THR A O   
294  C CB  . THR A 77  ? 0.72639 0.37997 0.41947 0.07088  -0.00352 0.06733  654 THR A CB  
295  O OG1 . THR A 77  ? 0.72329 0.40452 0.41145 0.07178  -0.01843 0.06596  654 THR A OG1 
296  C CG2 . THR A 77  ? 0.72863 0.39203 0.43782 0.08257  -0.00976 0.06541  654 THR A CG2 
297  N N   . SER A 78  ? 0.79250 0.39507 0.48063 0.03758  0.03464  0.06434  655 SER A N   
298  C CA  . SER A 78  ? 0.80886 0.39675 0.49172 0.02628  0.05021  0.06736  655 SER A CA  
299  C C   . SER A 78  ? 0.82340 0.41157 0.47688 0.03854  0.04996  0.08156  655 SER A C   
300  O O   . SER A 78  ? 0.82273 0.41313 0.45594 0.05779  0.03919  0.09256  655 SER A O   
301  C CB  . SER A 78  ? 0.83342 0.38027 0.51724 0.02085  0.07283  0.07173  655 SER A CB  
302  O OG  . SER A 78  ? 0.85799 0.37610 0.51744 0.04092  0.07985  0.09166  655 SER A OG  
303  N N   . ASP A 79  ? 0.94544 0.53342 0.59735 0.02698  0.06165  0.07999  656 ASP A N   
304  C CA  . ASP A 79  ? 0.98024 0.56412 0.59784 0.03653  0.06620  0.09197  656 ASP A CA  
305  C C   . ASP A 79  ? 1.00946 0.55630 0.59216 0.05252  0.07782  0.11503  656 ASP A C   
306  O O   . ASP A 79  ? 1.01286 0.56258 0.56540 0.07211  0.06462  0.12704  656 ASP A O   
307  C CB  . ASP A 79  ? 0.99050 0.57520 0.61622 0.02012  0.08420  0.08602  656 ASP A CB  
308  C CG  . ASP A 79  ? 0.97531 0.59731 0.63328 0.00870  0.07111  0.06654  656 ASP A CG  
309  O OD1 . ASP A 79  ? 0.95611 0.60315 0.61348 0.01663  0.04910  0.06085  656 ASP A OD1 
310  O OD2 . ASP A 79  ? 0.97587 0.60236 0.66328 -0.00815 0.08291  0.05736  656 ASP A OD2 
311  N N   . ASN A 80  ? 0.97595 0.48732 0.56382 0.04443  0.10201  0.12193  657 ASN A N   
312  C CA  . ASN A 80  ? 1.00462 0.47479 0.55810 0.05926  0.11727  0.14744  657 ASN A CA  
313  C C   . ASN A 80  ? 1.00372 0.47224 0.54747 0.08294  0.09865  0.15811  657 ASN A C   
314  O O   . ASN A 80  ? 1.02374 0.48217 0.52972 0.10367  0.09343  0.17902  657 ASN A O   
315  C CB  . ASN A 80  ? 1.02746 0.45814 0.59814 0.04452  0.14693  0.15040  657 ASN A CB  
316  N N   . GLU A 81  ? 0.95109 0.43227 0.52882 0.08077  0.08769  0.14356  658 GLU A N   
317  C CA  . GLU A 81  ? 0.94483 0.42556 0.52191 0.10323  0.07329  0.15229  658 GLU A CA  
318  C C   . GLU A 81  ? 0.92860 0.44860 0.49315 0.11836  0.04489  0.15283  658 GLU A C   
319  O O   . GLU A 81  ? 0.95828 0.47481 0.50422 0.14188  0.03376  0.17028  658 GLU A O   
320  C CB  . GLU A 81  ? 0.92887 0.41276 0.54403 0.09563  0.07281  0.13440  658 GLU A CB  
321  C CG  . GLU A 81  ? 0.96321 0.40017 0.58767 0.09124  0.09771  0.13803  658 GLU A CG  
322  C CD  . GLU A 81  ? 0.94406 0.38681 0.60272 0.07470  0.09950  0.11234  658 GLU A CD  
323  O OE1 . GLU A 81  ? 0.91811 0.39527 0.59019 0.05838  0.08816  0.09354  658 GLU A OE1 
324  O OE2 . GLU A 81  ? 0.95795 0.36954 0.62789 0.07854  0.11246  0.11126  658 GLU A OE2 
325  N N   . THR A 82  ? 0.87357 0.43158 0.45141 0.10556  0.03177  0.13363  659 THR A N   
326  C CA  . THR A 82  ? 0.86032 0.45411 0.42852 0.11726  0.00606  0.13165  659 THR A CA  
327  C C   . THR A 82  ? 0.88581 0.46921 0.40566 0.13074  0.00460  0.14964  659 THR A C   
328  O O   . THR A 82  ? 0.88091 0.47809 0.38405 0.15055  -0.01600 0.15880  659 THR A O   
329  C CB  . THR A 82  ? 0.83324 0.46228 0.42269 0.09971  -0.00324 0.10916  659 THR A CB  
330  O OG1 . THR A 82  ? 0.79663 0.43715 0.42459 0.08956  -0.00503 0.09483  659 THR A OG1 
331  C CG2 . THR A 82  ? 0.80408 0.46645 0.38346 0.10995  -0.02784 0.10547  659 THR A CG2 
332  N N   . LYS A 83  ? 1.08699 0.64673 0.58336 0.12037  0.02654  0.15509  660 LYS A N   
333  C CA  . LYS A 83  ? 1.12666 0.67509 0.57028 0.13202  0.02820  0.17213  660 LYS A CA  
334  C C   . LYS A 83  ? 1.14377 0.67765 0.58179 0.14922  0.02940  0.19314  660 LYS A C   
335  O O   . LYS A 83  ? 1.17496 0.72456 0.58886 0.16349  0.01368  0.20232  660 LYS A O   
336  C CB  . LYS A 83  ? 1.14863 0.67826 0.57575 0.11455  0.05612  0.17092  660 LYS A CB  
337  C CG  . LYS A 83  ? 1.12365 0.68697 0.58045 0.09490  0.05269  0.14331  660 LYS A CG  
338  C CD  . LYS A 83  ? 1.17840 0.72854 0.62312 0.07977  0.08030  0.14125  660 LYS A CD  
339  C CE  . LYS A 83  ? 1.14888 0.70108 0.64599 0.05718  0.09554  0.12612  660 LYS A CE  
340  N NZ  . LYS A 83  ? 1.17899 0.71486 0.66976 0.04354  0.12680  0.12746  660 LYS A NZ  
341  N N   . LEU A 84  ? 0.99848 0.50277 0.45956 0.14778  0.04661  0.20006  661 LEU A N   
342  C CA  . LEU A 84  ? 1.04695 0.53228 0.50452 0.16374  0.05065  0.22112  661 LEU A CA  
343  C C   . LEU A 84  ? 1.04159 0.55153 0.51340 0.18548  0.02248  0.22515  661 LEU A C   
344  O O   . LEU A 84  ? 1.08597 0.59655 0.54313 0.20262  0.01346  0.24351  661 LEU A O   
345  C CB  . LEU A 84  ? 1.05679 0.50307 0.53946 0.15411  0.07826  0.22338  661 LEU A CB  
346  N N   . PHE A 85  ? 1.06995 0.60075 0.57159 0.18516  0.00840  0.20898  662 PHE A N   
347  C CA  . PHE A 85  ? 1.05850 0.61106 0.58438 0.20501  -0.01359 0.21164  662 PHE A CA  
348  C C   . PHE A 85  ? 1.02553 0.62652 0.55271 0.21084  -0.04519 0.20068  662 PHE A C   
349  O O   . PHE A 85  ? 1.02835 0.65256 0.57232 0.22888  -0.06577 0.20616  662 PHE A O   
350  C CB  . PHE A 85  ? 1.03854 0.57757 0.60346 0.20290  -0.00401 0.20152  662 PHE A CB  
351  C CG  . PHE A 85  ? 1.05757 0.55069 0.62940 0.19601  0.02587  0.20768  662 PHE A CG  
352  C CD1 . PHE A 85  ? 1.10134 0.57358 0.67338 0.21092  0.03253  0.22757  662 PHE A CD1 
353  C CD2 . PHE A 85  ? 1.04769 0.51913 0.62792 0.17356  0.04620  0.19289  662 PHE A CD2 
354  C CE1 . PHE A 85  ? 1.13738 0.56725 0.71875 0.20324  0.06038  0.23146  662 PHE A CE1 
355  C CE2 . PHE A 85  ? 1.06695 0.49905 0.65816 0.16471  0.07289  0.19496  662 PHE A CE2 
356  C CZ  . PHE A 85  ? 1.10464 0.51559 0.69676 0.17938  0.08069  0.21373  662 PHE A CZ  
357  N N   . LYS A 86  ? 0.97462 0.59229 0.48948 0.19573  -0.04964 0.18438  663 LYS A N   
358  C CA  . LYS A 86  ? 0.95135 0.61442 0.47768 0.19805  -0.07833 0.16903  663 LYS A CA  
359  C C   . LYS A 86  ? 0.96460 0.64662 0.45687 0.19195  -0.08831 0.16284  663 LYS A C   
360  O O   . LYS A 86  ? 0.98420 0.69693 0.47209 0.20220  -0.11224 0.16273  663 LYS A O   
361  C CB  . LYS A 86  ? 0.90185 0.57826 0.46514 0.18208  -0.07651 0.14713  663 LYS A CB  
362  C CG  . LYS A 86  ? 0.88040 0.60629 0.46914 0.18092  -0.10282 0.12920  663 LYS A CG  
363  C CD  . LYS A 86  ? 0.84464 0.58765 0.47725 0.16031  -0.09661 0.10733  663 LYS A CD  
364  C CE  . LYS A 86  ? 0.82808 0.61500 0.48118 0.15384  -0.11818 0.08899  663 LYS A CE  
365  N NZ  . LYS A 86  ? 0.84369 0.63572 0.47056 0.14186  -0.12089 0.07918  663 LYS A NZ  
366  N N   . GLY A 87  ? 0.98457 0.64968 0.45419 0.17531  -0.07042 0.15641  664 GLY A N   
367  C CA  . GLY A 87  ? 1.00045 0.68125 0.43730 0.17000  -0.07691 0.14823  664 GLY A CA  
368  C C   . GLY A 87  ? 0.99618 0.66158 0.42241 0.15054  -0.05674 0.13613  664 GLY A C   
369  O O   . GLY A 87  ? 1.00292 0.64898 0.45353 0.13842  -0.03610 0.13518  664 GLY A O   
370  N N   . GLN A 88  ? 0.96365 0.64613 0.36671 0.14469  -0.06298 0.12245  665 GLN A N   
371  C CA  . GLN A 88  ? 0.97717 0.65062 0.37476 0.12610  -0.04110 0.10983  665 GLN A CA  
372  C C   . GLN A 88  ? 0.93673 0.63392 0.39382 0.10868  -0.04325 0.08683  665 GLN A C   
373  O O   . GLN A 88  ? 0.90581 0.63281 0.39217 0.11033  -0.06625 0.07482  665 GLN A O   
374  C CB  . GLN A 88  ? 1.00039 0.68320 0.35135 0.12742  -0.04655 0.10108  665 GLN A CB  
375  C CG  . GLN A 88  ? 1.04158 0.72612 0.36183 0.14163  -0.05388 0.11805  665 GLN A CG  
376  C CD  . GLN A 88  ? 1.08594 0.76997 0.35942 0.13735  -0.04489 0.11190  665 GLN A CD  
377  O OE1 . GLN A 88  ? 1.08114 0.75405 0.34569 0.12413  -0.02359 0.09923  665 GLN A OE1 
378  N NE2 . GLN A 88  ? 1.12767 0.82431 0.37095 0.14823  -0.06067 0.12010  665 GLN A NE2 
379  N N   . VAL A 89  ? 0.89309 0.57744 0.36878 0.09197  -0.01901 0.08164  666 VAL A N   
380  C CA  . VAL A 89  ? 0.86141 0.56498 0.38961 0.07569  -0.01956 0.06307  666 VAL A CA  
381  C C   . VAL A 89  ? 0.88194 0.58596 0.40952 0.06254  -0.00276 0.05053  666 VAL A C   
382  O O   . VAL A 89  ? 0.92037 0.60075 0.42887 0.05851  0.02203  0.05884  666 VAL A O   
383  C CB  . VAL A 89  ? 0.85362 0.54377 0.41503 0.06874  -0.00893 0.06879  666 VAL A CB  
384  C CG1 . VAL A 89  ? 0.82970 0.53945 0.43850 0.05240  -0.01063 0.05171  666 VAL A CG1 
385  C CG2 . VAL A 89  ? 0.83617 0.52526 0.40064 0.08286  -0.02268 0.07924  666 VAL A CG2 
386  N N   . VAL A 90  ? 0.84790 0.57779 0.39863 0.05617  -0.01438 0.03070  667 VAL A N   
387  C CA  . VAL A 90  ? 0.86135 0.59386 0.42350 0.04419  0.00180  0.01658  667 VAL A CA  
388  C C   . VAL A 90  ? 0.86791 0.59530 0.47267 0.03081  0.01797  0.01750  667 VAL A C   
389  O O   . VAL A 90  ? 0.90012 0.61264 0.50183 0.02408  0.04246  0.02028  667 VAL A O   
390  C CB  . VAL A 90  ? 0.84079 0.59981 0.42474 0.04109  -0.01506 -0.00480 667 VAL A CB  
391  C CG1 . VAL A 90  ? 0.86624 0.62463 0.45136 0.03319  0.00293  -0.01984 667 VAL A CG1 
392  C CG2 . VAL A 90  ? 0.83715 0.60837 0.39290 0.05293  -0.03929 -0.00744 667 VAL A CG2 
393  N N   . GLN A 91  ? 0.75301 0.49390 0.39797 0.02635  0.00443  0.01481  668 GLN A N   
394  C CA  . GLN A 91  ? 0.74452 0.48931 0.43362 0.01285  0.01242  0.01093  668 GLN A CA  
395  C C   . GLN A 91  ? 0.74855 0.47429 0.43985 0.00939  0.02235  0.02293  668 GLN A C   
396  O O   . GLN A 91  ? 0.73973 0.45462 0.41292 0.01800  0.01599  0.03308  668 GLN A O   
397  C CB  . GLN A 91  ? 0.71048 0.47879 0.43673 0.00938  -0.00740 0.00195  668 GLN A CB  
398  C CG  . GLN A 91  ? 0.69538 0.47987 0.42428 0.01187  -0.01715 -0.01126 668 GLN A CG  
399  C CD  . GLN A 91  ? 0.65425 0.45804 0.42256 0.00745  -0.03336 -0.01756 668 GLN A CD  
400  O OE1 . GLN A 91  ? 0.63105 0.44376 0.39912 0.01198  -0.04923 -0.01688 668 GLN A OE1 
401  N NE2 . GLN A 91  ? 0.64722 0.45775 0.45152 -0.00104 -0.02875 -0.02233 668 GLN A NE2 
402  N N   . THR A 92  ? 0.72164 0.44380 0.43911 -0.00335 0.03835  0.02037  669 THR A N   
403  C CA  . THR A 92  ? 0.71741 0.42310 0.44530 -0.01053 0.04728  0.02691  669 THR A CA  
404  C C   . THR A 92  ? 0.68860 0.40473 0.43612 -0.01208 0.02803  0.02405  669 THR A C   
405  O O   . THR A 92  ? 0.66209 0.40095 0.42510 -0.01105 0.00998  0.01717  669 THR A O   
406  C CB  . THR A 92  ? 0.71804 0.42561 0.48015 -0.02611 0.06479  0.02089  669 THR A CB  
407  O OG1 . THR A 92  ? 0.68199 0.41869 0.48597 -0.03293 0.05055  0.00880  669 THR A OG1 
408  C CG2 . THR A 92  ? 0.75454 0.45175 0.49818 -0.02549 0.08881  0.02295  669 THR A CG2 
409  N N   . LEU A 93  ? 0.74276 0.43969 0.48927 -0.01539 0.03443  0.02899  670 LEU A N   
410  C CA  . LEU A 93  ? 0.71560 0.42001 0.47922 -0.01958 0.02074  0.02378  670 LEU A CA  
411  C C   . LEU A 93  ? 0.68042 0.41179 0.47953 -0.03134 0.00943  0.01263  670 LEU A C   
412  O O   . LEU A 93  ? 0.65568 0.40429 0.46202 -0.02965 -0.00784 0.00951  670 LEU A O   
413  C CB  . LEU A 93  ? 0.72341 0.40122 0.48608 -0.02563 0.03363  0.02587  670 LEU A CB  
414  C CG  . LEU A 93  ? 0.70189 0.38332 0.47756 -0.03201 0.02316  0.01736  670 LEU A CG  
415  C CD1 . LEU A 93  ? 0.68718 0.37560 0.44844 -0.01811 0.00950  0.02039  670 LEU A CD1 
416  C CD2 . LEU A 93  ? 0.70313 0.35404 0.47876 -0.03955 0.03929  0.01620  670 LEU A CD2 
417  N N   . GLU A 94  ? 0.85930 0.59526 0.68238 -0.04246 0.01959  0.00791  671 GLU A N   
418  C CA  . GLU A 94  ? 0.82377 0.58595 0.68465 -0.05225 0.00726  -0.00080 671 GLU A CA  
419  C C   . GLU A 94  ? 0.81371 0.59686 0.68094 -0.04466 -0.00645 -0.00192 671 GLU A C   
420  O O   . GLU A 94  ? 0.78959 0.59091 0.67594 -0.04732 -0.02342 -0.00430 671 GLU A O   
421  C CB  . GLU A 94  ? 0.83005 0.59585 0.72210 -0.06426 0.02188  -0.00575 671 GLU A CB  
422  C CG  . GLU A 94  ? 0.81814 0.61435 0.75364 -0.07141 0.00733  -0.01311 671 GLU A CG  
423  C CD  . GLU A 94  ? 0.82537 0.62934 0.80078 -0.08435 0.02041  -0.01939 671 GLU A CD  
424  O OE1 . GLU A 94  ? 0.85432 0.63681 0.82159 -0.08997 0.04237  -0.01817 671 GLU A OE1 
425  O OE2 . GLU A 94  ? 0.81320 0.64464 0.83069 -0.08864 0.00919  -0.02464 671 GLU A OE2 
426  N N   . GLU A 95  ? 0.66503 0.44450 0.51528 -0.03568 0.00114  -0.00047 672 GLU A N   
427  C CA  . GLU A 95  ? 0.65214 0.44830 0.50911 -0.02935 -0.01055 -0.00427 672 GLU A CA  
428  C C   . GLU A 95  ? 0.62826 0.42797 0.47097 -0.02255 -0.02748 -0.00122 672 GLU A C   
429  O O   . GLU A 95  ? 0.60069 0.41613 0.46261 -0.02328 -0.04127 -0.00310 672 GLU A O   
430  C CB  . GLU A 95  ? 0.67099 0.46107 0.50797 -0.02246 0.00193  -0.00689 672 GLU A CB  
431  C CG  . GLU A 95  ? 0.70607 0.49372 0.55801 -0.02865 0.02305  -0.01084 672 GLU A CG  
432  C CD  . GLU A 95  ? 0.76115 0.53769 0.57938 -0.02162 0.03867  -0.01288 672 GLU A CD  
433  O OE1 . GLU A 95  ? 0.78446 0.54352 0.55762 -0.01404 0.04134  -0.00485 672 GLU A OE1 
434  O OE2 . GLU A 95  ? 0.77270 0.55800 0.60893 -0.02295 0.04814  -0.02264 672 GLU A OE2 
435  N N   . ARG A 96  ? 0.63548 0.42040 0.44670 -0.01517 -0.02531 0.00454  673 ARG A N   
436  C CA  . ARG A 96  ? 0.61881 0.40962 0.42128 -0.00785 -0.03910 0.00665  673 ARG A CA  
437  C C   . ARG A 96  ? 0.61098 0.40918 0.43003 -0.01474 -0.04793 0.00661  673 ARG A C   
438  O O   . ARG A 96  ? 0.57644 0.38697 0.40187 -0.01256 -0.05912 0.00661  673 ARG A O   
439  C CB  . ARG A 96  ? 0.63079 0.40493 0.40166 0.00294  -0.03482 0.01401  673 ARG A CB  
440  C CG  . ARG A 96  ? 0.66114 0.42531 0.40593 0.01014  -0.02609 0.01657  673 ARG A CG  
441  C CD  . ARG A 96  ? 0.66319 0.41363 0.37594 0.02438  -0.02708 0.02690  673 ARG A CD  
442  N NE  . ARG A 96  ? 0.68887 0.41135 0.38689 0.02413  -0.01009 0.03681  673 ARG A NE  
443  C CZ  . ARG A 96  ? 0.68919 0.39723 0.38570 0.02799  -0.00826 0.04323  673 ARG A CZ  
444  N NH1 . ARG A 96  ? 0.66693 0.38731 0.37423 0.03320  -0.02143 0.04120  673 ARG A NH1 
445  N NH2 . ARG A 96  ? 0.72077 0.39976 0.40636 0.02636  0.00957  0.05137  673 ARG A NH2 
446  N N   . THR A 97  ? 0.66395 0.45520 0.49002 -0.02421 -0.04250 0.00575  674 THR A N   
447  C CA  . THR A 97  ? 0.66218 0.45894 0.49654 -0.03197 -0.05088 0.00415  674 THR A CA  
448  C C   . THR A 97  ? 0.63948 0.45699 0.49987 -0.03760 -0.06312 0.00313  674 THR A C   
449  O O   . THR A 97  ? 0.62058 0.44713 0.48167 -0.03816 -0.07401 0.00565  674 THR A O   
450  C CB  . THR A 97  ? 0.67069 0.45297 0.50417 -0.04145 -0.04192 0.00057  674 THR A CB  
451  O OG1 . THR A 97  ? 0.68356 0.44195 0.49402 -0.03488 -0.02915 0.00381  674 THR A OG1 
452  C CG2 . THR A 97  ? 0.66044 0.44886 0.49673 -0.05065 -0.05218 -0.00410 674 THR A CG2 
453  N N   . GLU A 98  ? 0.71057 0.53486 0.59328 -0.04098 -0.05991 0.00061  675 GLU A N   
454  C CA  . GLU A 98  ? 0.69519 0.53844 0.60809 -0.04397 -0.07143 0.00117  675 GLU A CA  
455  C C   . GLU A 98  ? 0.68454 0.53450 0.59916 -0.03672 -0.07923 0.00465  675 GLU A C   
456  O O   . GLU A 98  ? 0.67911 0.54029 0.61070 -0.03818 -0.09104 0.00944  675 GLU A O   
457  C CB  . GLU A 98  ? 0.70224 0.55135 0.64329 -0.04667 -0.06276 -0.00335 675 GLU A CB  
458  C CG  . GLU A 98  ? 0.68328 0.55082 0.66107 -0.04564 -0.07244 -0.00235 675 GLU A CG  
459  C CD  . GLU A 98  ? 0.69431 0.57112 0.70823 -0.04944 -0.06321 -0.00787 675 GLU A CD  
460  O OE1 . GLU A 98  ? 0.71622 0.58636 0.72786 -0.05586 -0.05013 -0.01208 675 GLU A OE1 
461  O OE2 . GLU A 98  ? 0.69236 0.58258 0.74062 -0.04594 -0.06744 -0.00786 675 GLU A OE2 
462  N N   . THR A 99  ? 0.57817 0.42129 0.47598 -0.02915 -0.07350 0.00278  676 THR A N   
463  C CA  . THR A 99  ? 0.56573 0.41573 0.46954 -0.02430 -0.08042 0.00322  676 THR A CA  
464  C C   . THR A 99  ? 0.56341 0.41495 0.45629 -0.02420 -0.08738 0.00902  676 THR A C   
465  O O   . THR A 99  ? 0.54178 0.40082 0.44879 -0.02550 -0.09461 0.01352  676 THR A O   
466  C CB  . THR A 99  ? 0.57494 0.42064 0.46560 -0.01722 -0.07434 -0.00352 676 THR A CB  
467  O OG1 . THR A 99  ? 0.59683 0.43921 0.49293 -0.01788 -0.06376 -0.00919 676 THR A OG1 
468  C CG2 . THR A 99  ? 0.56070 0.41486 0.46498 -0.01469 -0.08174 -0.00716 676 THR A CG2 
469  N N   . LEU A 100 ? 0.62909 0.47189 0.49819 -0.02258 -0.08300 0.00954  677 LEU A N   
470  C CA  . LEU A 100 ? 0.62152 0.46522 0.48048 -0.02263 -0.08560 0.01343  677 LEU A CA  
471  C C   . LEU A 100 ? 0.61282 0.46169 0.47649 -0.03058 -0.09244 0.01858  677 LEU A C   
472  O O   . LEU A 100 ? 0.61000 0.46251 0.46942 -0.03121 -0.09441 0.02345  677 LEU A O   
473  C CB  . LEU A 100 ? 0.64416 0.47446 0.48045 -0.01982 -0.07757 0.01189  677 LEU A CB  
474  C CG  . LEU A 100 ? 0.64819 0.47525 0.47429 -0.00871 -0.07397 0.01166  677 LEU A CG  
475  C CD1 . LEU A 100 ? 0.65630 0.46648 0.46416 -0.00623 -0.06501 0.01185  677 LEU A CD1 
476  C CD2 . LEU A 100 ? 0.62524 0.46648 0.46218 -0.00597 -0.07917 0.01284  677 LEU A CD2 
477  N N   . LYS A 101 ? 0.57433 0.42439 0.44562 -0.03676 -0.09598 0.01796  678 LYS A N   
478  C CA  . LYS A 101 ? 0.58385 0.44044 0.45463 -0.04326 -0.10612 0.02369  678 LYS A CA  
479  C C   . LYS A 101 ? 0.58625 0.45179 0.47429 -0.04140 -0.11397 0.03366  678 LYS A C   
480  O O   . LYS A 101 ? 0.58327 0.45279 0.46509 -0.04505 -0.12261 0.04241  678 LYS A O   
481  C CB  . LYS A 101 ? 0.58926 0.44996 0.47060 -0.05043 -0.11165 0.02005  678 LYS A CB  
482  C CG  . LYS A 101 ? 0.58629 0.45812 0.50224 -0.04902 -0.11654 0.02215  678 LYS A CG  
483  C CD  . LYS A 101 ? 0.58992 0.47173 0.52401 -0.05652 -0.12408 0.01883  678 LYS A CD  
484  C CE  . LYS A 101 ? 0.57916 0.47422 0.55506 -0.05283 -0.12785 0.02160  678 LYS A CE  
485  N NZ  . LYS A 101 ? 0.57876 0.48815 0.58434 -0.05913 -0.13357 0.01704  678 LYS A NZ  
486  N N   . HIS A 102 ? 0.51911 0.38607 0.42653 -0.03609 -0.11089 0.03253  679 HIS A N   
487  C CA  . HIS A 102 ? 0.51021 0.38137 0.43866 -0.03472 -0.11577 0.04096  679 HIS A CA  
488  C C   . HIS A 102 ? 0.50445 0.37401 0.42591 -0.03396 -0.11133 0.04443  679 HIS A C   
489  O O   . HIS A 102 ? 0.53342 0.40351 0.47216 -0.03433 -0.11305 0.05262  679 HIS A O   
490  C CB  . HIS A 102 ? 0.52742 0.39983 0.48473 -0.03084 -0.11345 0.03432  679 HIS A CB  
491  C CG  . HIS A 102 ? 0.52318 0.39996 0.49732 -0.03156 -0.11558 0.03183  679 HIS A CG  
492  N ND1 . HIS A 102 ? 0.52126 0.40520 0.52101 -0.03153 -0.12534 0.04092  679 HIS A ND1 
493  C CD2 . HIS A 102 ? 0.52660 0.40246 0.49813 -0.03237 -0.10858 0.02230  679 HIS A CD2 
494  C CE1 . HIS A 102 ? 0.53411 0.42472 0.55106 -0.03242 -0.12483 0.03520  679 HIS A CE1 
495  N NE2 . HIS A 102 ? 0.53456 0.41942 0.53415 -0.03390 -0.11319 0.02374  679 HIS A NE2 
496  N N   . ILE A 103 ? 0.53699 0.40439 0.43809 -0.03271 -0.10451 0.03875  680 ILE A N   
497  C CA  . ILE A 103 ? 0.53829 0.40821 0.43976 -0.03186 -0.09896 0.04047  680 ILE A CA  
498  C C   . ILE A 103 ? 0.57139 0.43939 0.45415 -0.03667 -0.09706 0.05112  680 ILE A C   
499  O O   . ILE A 103 ? 0.56881 0.43265 0.42550 -0.03854 -0.09586 0.04927  680 ILE A O   
500  C CB  . ILE A 103 ? 0.53789 0.40854 0.43025 -0.02610 -0.09315 0.03040  680 ILE A CB  
501  C CG1 . ILE A 103 ? 0.53410 0.40501 0.43524 -0.02141 -0.09562 0.02114  680 ILE A CG1 
502  C CG2 . ILE A 103 ? 0.55090 0.42946 0.45341 -0.02498 -0.08819 0.03074  680 ILE A CG2 
503  C CD1 . ILE A 103 ? 0.52678 0.40189 0.45536 -0.02303 -0.09959 0.01937  680 ILE A CD1 
504  N N   . ARG A 104 ? 0.62568 0.49477 0.52005 -0.03937 -0.09564 0.06192  681 ARG A N   
505  C CA  . ARG A 104 ? 0.64750 0.51302 0.51862 -0.04409 -0.09328 0.07488  681 ARG A CA  
506  C C   . ARG A 104 ? 0.65691 0.52177 0.50248 -0.04457 -0.08147 0.06897  681 ARG A C   
507  O O   . ARG A 104 ? 0.67867 0.53885 0.49236 -0.04842 -0.07996 0.07319  681 ARG A O   
508  C CB  . ARG A 104 ? 0.66156 0.52519 0.55100 -0.04670 -0.08965 0.08927  681 ARG A CB  
509  C CG  . ARG A 104 ? 0.67161 0.54007 0.57930 -0.04757 -0.07629 0.08447  681 ARG A CG  
510  C CD  . ARG A 104 ? 0.71057 0.57382 0.63250 -0.05301 -0.06814 0.10111  681 ARG A CD  
511  N NE  . ARG A 104 ? 0.69669 0.55411 0.65032 -0.05284 -0.07528 0.10680  681 ARG A NE  
512  C CZ  . ARG A 104 ? 0.70994 0.55695 0.65991 -0.05269 -0.08182 0.12531  681 ARG A CZ  
513  N NH1 . ARG A 104 ? 0.71339 0.55628 0.62484 -0.05345 -0.08476 0.14035  681 ARG A NH1 
514  N NH2 . ARG A 104 ? 0.69478 0.53522 0.68025 -0.05108 -0.08625 0.12833  681 ARG A NH2 
515  N N   . TRP A 105 ? 0.61182 0.48158 0.47010 -0.03991 -0.07381 0.05798  682 TRP A N   
516  C CA  . TRP A 105 ? 0.62380 0.49323 0.46485 -0.03844 -0.06078 0.05266  682 TRP A CA  
517  C C   . TRP A 105 ? 0.62093 0.48119 0.43393 -0.03721 -0.06127 0.04383  682 TRP A C   
518  O O   . TRP A 105 ? 0.65036 0.50659 0.44582 -0.03632 -0.04913 0.03872  682 TRP A O   
519  C CB  . TRP A 105 ? 0.61780 0.49802 0.48600 -0.03194 -0.05473 0.04451  682 TRP A CB  
520  C CG  . TRP A 105 ? 0.63285 0.52230 0.53481 -0.03431 -0.05697 0.04799  682 TRP A CG  
521  C CD1 . TRP A 105 ? 0.61591 0.51257 0.54411 -0.03096 -0.06619 0.04031  682 TRP A CD1 
522  C CD2 . TRP A 105 ? 0.65359 0.54367 0.56631 -0.04172 -0.04913 0.05961  682 TRP A CD2 
523  N NE1 . TRP A 105 ? 0.63682 0.53899 0.59515 -0.03656 -0.06490 0.04380  682 TRP A NE1 
524  C CE2 . TRP A 105 ? 0.65703 0.55435 0.60827 -0.04318 -0.05375 0.05704  682 TRP A CE2 
525  C CE3 . TRP A 105 ? 0.67887 0.56239 0.56984 -0.04770 -0.03744 0.07205  682 TRP A CE3 
526  C CZ2 . TRP A 105 ? 0.68474 0.58141 0.65872 -0.05085 -0.04607 0.06697  682 TRP A CZ2 
527  C CZ3 . TRP A 105 ? 0.68931 0.57225 0.59861 -0.05440 -0.02940 0.08462  682 TRP A CZ3 
528  C CH2 . TRP A 105 ? 0.68833 0.57700 0.64110 -0.05615 -0.03324 0.08236  682 TRP A CH2 
529  N N   . VAL A 106 ? 0.69409 0.55026 0.50529 -0.03774 -0.07268 0.04086  683 VAL A N   
530  C CA  . VAL A 106 ? 0.71211 0.55818 0.50425 -0.03752 -0.07151 0.03068  683 VAL A CA  
531  C C   . VAL A 106 ? 0.72203 0.56318 0.48627 -0.04657 -0.07639 0.03153  683 VAL A C   
532  O O   . VAL A 106 ? 0.71084 0.55715 0.47822 -0.05112 -0.08959 0.03915  683 VAL A O   
533  C CB  . VAL A 106 ? 0.69321 0.53759 0.49996 -0.03435 -0.07819 0.02601  683 VAL A CB  
534  C CG1 . VAL A 106 ? 0.70936 0.54016 0.49899 -0.03566 -0.07404 0.01665  683 VAL A CG1 
535  C CG2 . VAL A 106 ? 0.66979 0.51982 0.49686 -0.02531 -0.07591 0.02440  683 VAL A CG2 
536  N N   . ASP A 107 ? 0.65909 0.49070 0.39662 -0.04868 -0.06653 0.02283  684 ASP A N   
537  C CA  . ASP A 107 ? 0.68318 0.51026 0.38870 -0.05836 -0.07236 0.01963  684 ASP A CA  
538  C C   . ASP A 107 ? 0.67941 0.49760 0.38078 -0.06289 -0.07676 0.00564  684 ASP A C   
539  O O   . ASP A 107 ? 0.67680 0.49909 0.37014 -0.07145 -0.09136 0.00417  684 ASP A O   
540  C CB  . ASP A 107 ? 0.70555 0.52634 0.37954 -0.06032 -0.05703 0.01626  684 ASP A CB  
541  C CG  . ASP A 107 ? 0.70529 0.53435 0.38546 -0.05784 -0.04914 0.03067  684 ASP A CG  
542  O OD1 . ASP A 107 ? 0.69943 0.53590 0.38627 -0.06014 -0.06090 0.04580  684 ASP A OD1 
543  O OD2 . ASP A 107 ? 0.72228 0.55019 0.40443 -0.05353 -0.03017 0.02709  684 ASP A OD2 
544  N N   . GLU A 108 ? 0.61650 0.42306 0.32642 -0.05718 -0.06495 -0.00372 685 GLU A N   
545  C CA  . GLU A 108 ? 0.63617 0.43066 0.34647 -0.06212 -0.06566 -0.01575 685 GLU A CA  
546  C C   . GLU A 108 ? 0.62502 0.41170 0.35717 -0.05217 -0.05761 -0.01483 685 GLU A C   
547  O O   . GLU A 108 ? 0.62231 0.40854 0.36063 -0.04089 -0.04865 -0.01073 685 GLU A O   
548  C CB  . GLU A 108 ? 0.65821 0.43563 0.33983 -0.06834 -0.05537 -0.03192 685 GLU A CB  
549  N N   . ILE A 109 ? 0.69116 0.47210 0.43449 -0.05648 -0.06051 -0.01867 686 ILE A N   
550  C CA  . ILE A 109 ? 0.69730 0.46722 0.45376 -0.04774 -0.05172 -0.01642 686 ILE A CA  
551  C C   . ILE A 109 ? 0.71811 0.46407 0.46850 -0.05321 -0.04092 -0.02728 686 ILE A C   
552  O O   . ILE A 109 ? 0.70588 0.45117 0.45624 -0.06717 -0.04601 -0.03670 686 ILE A O   
553  C CB  . ILE A 109 ? 0.69495 0.47767 0.47301 -0.04699 -0.06001 -0.00893 686 ILE A CB  
554  C CG1 . ILE A 109 ? 0.66658 0.46934 0.45372 -0.04218 -0.06933 0.00037  686 ILE A CG1 
555  C CG2 . ILE A 109 ? 0.68343 0.45244 0.46552 -0.03803 -0.04948 -0.00611 686 ILE A CG2 
556  C CD1 . ILE A 109 ? 0.63360 0.44752 0.44303 -0.04073 -0.07581 0.00527  686 ILE A CD1 
557  N N   . ILE A 110 ? 0.64371 0.37020 0.39111 -0.04210 -0.02668 -0.02595 687 ILE A N   
558  C CA  . ILE A 110 ? 0.66978 0.36807 0.41649 -0.04430 -0.01322 -0.03171 687 ILE A CA  
559  C C   . ILE A 110 ? 0.66738 0.36133 0.42455 -0.03708 -0.01004 -0.01992 687 ILE A C   
560  O O   . ILE A 110 ? 0.66717 0.36161 0.42236 -0.02128 -0.00841 -0.00898 687 ILE A O   
561  C CB  . ILE A 110 ? 0.69742 0.37299 0.43326 -0.03494 0.00198  -0.03622 687 ILE A CB  
562  C CG1 . ILE A 110 ? 0.69869 0.37882 0.41915 -0.04303 0.00135  -0.04974 687 ILE A CG1 
563  C CG2 . ILE A 110 ? 0.70975 0.35149 0.44697 -0.03710 0.01739  -0.04072 687 ILE A CG2 
564  C CD1 . ILE A 110 ? 0.73262 0.39491 0.44524 -0.03228 0.01824  -0.05563 687 ILE A CD1 
565  N N   . SER A 111 ? 0.77880 0.46925 0.54684 -0.04884 -0.00871 -0.02277 688 SER A N   
566  C CA  . SER A 111 ? 0.78749 0.47574 0.56298 -0.04444 -0.00379 -0.01244 688 SER A CA  
567  C C   . SER A 111 ? 0.79794 0.46293 0.58135 -0.05525 0.01129  -0.01625 688 SER A C   
568  O O   . SER A 111 ? 0.79366 0.46790 0.59459 -0.07215 0.00726  -0.02697 688 SER A O   
569  C CB  . SER A 111 ? 0.77176 0.49074 0.56209 -0.04797 -0.01820 -0.01029 688 SER A CB  
570  O OG  . SER A 111 ? 0.78469 0.50251 0.58374 -0.04749 -0.01125 -0.00469 688 SER A OG  
571  N N   . PRO A 112 ? 0.76099 0.39582 0.53415 -0.04633 0.02873  -0.00700 689 PRO A N   
572  C CA  . PRO A 112 ? 0.77849 0.40036 0.53252 -0.02510 0.03266  0.00657  689 PRO A CA  
573  C C   . PRO A 112 ? 0.77561 0.38713 0.52364 -0.01895 0.03383  0.00062  689 PRO A C   
574  O O   . PRO A 112 ? 0.80043 0.39806 0.55262 -0.03138 0.04015  -0.01332 689 PRO A O   
575  C CB  . PRO A 112 ? 0.79032 0.37839 0.53689 -0.02168 0.05270  0.01801  689 PRO A CB  
576  C CG  . PRO A 112 ? 0.79385 0.36845 0.55802 -0.04270 0.06371  0.00556  689 PRO A CG  
577  C CD  . PRO A 112 ? 0.77530 0.38692 0.55855 -0.05759 0.04639  -0.00784 689 PRO A CD  
578  N N   . CYS A 113 ? 0.74189 0.36134 0.48249 -0.00093 0.02828  0.00904  690 CYS A N   
579  C CA  . CYS A 113 ? 0.76048 0.36744 0.49895 0.00811  0.03421  0.00489  690 CYS A CA  
580  C C   . CYS A 113 ? 0.78728 0.35975 0.51988 0.02418  0.04902  0.01767  690 CYS A C   
581  O O   . CYS A 113 ? 0.78740 0.35096 0.51181 0.03118  0.05129  0.03302  690 CYS A O   
582  C CB  . CYS A 113 ? 0.75142 0.38869 0.49280 0.01898  0.02111  0.00668  690 CYS A CB  
583  S SG  . CYS A 113 ? 0.75066 0.40446 0.49030 0.03865  0.01002  0.02517  690 CYS A SG  
584  N N   . PRO A 114 ? 0.81711 0.36775 0.55232 0.03129  0.06046  0.01250  691 PRO A N   
585  C CA  . PRO A 114 ? 0.83648 0.35373 0.56893 0.05063  0.07345  0.02806  691 PRO A CA  
586  C C   . PRO A 114 ? 0.83151 0.36872 0.55945 0.07336  0.05979  0.04780  691 PRO A C   
587  O O   . PRO A 114 ? 0.81321 0.38778 0.54725 0.07674  0.04358  0.04490  691 PRO A O   
588  C CB  . PRO A 114 ? 0.84390 0.34308 0.58562 0.05536  0.08586  0.01523  691 PRO A CB  
589  C CG  . PRO A 114 ? 0.85196 0.36709 0.59401 0.03286  0.08272  -0.00909 691 PRO A CG  
590  C CD  . PRO A 114 ? 0.81008 0.36617 0.54946 0.02464  0.06230  -0.00647 691 PRO A CD  
591  N N   . TRP A 115 ? 0.88963 0.40139 0.60608 0.08853  0.06602  0.06828  692 TRP A N   
592  C CA  . TRP A 115 ? 0.88989 0.42068 0.59994 0.11193  0.05041  0.08631  692 TRP A CA  
593  C C   . TRP A 115 ? 0.89543 0.43511 0.62576 0.13132  0.04708  0.08570  692 TRP A C   
594  O O   . TRP A 115 ? 0.88188 0.45913 0.62169 0.14161  0.02876  0.08697  692 TRP A O   
595  C CB  . TRP A 115 ? 0.91725 0.41779 0.60356 0.12494  0.05696  0.11091  692 TRP A CB  
596  C CG  . TRP A 115 ? 0.91172 0.43697 0.58620 0.14719  0.03606  0.12751  692 TRP A CG  
597  C CD1 . TRP A 115 ? 0.91355 0.43267 0.58935 0.17494  0.03003  0.14519  692 TRP A CD1 
598  C CD2 . TRP A 115 ? 0.87981 0.44221 0.54220 0.14352  0.01652  0.12582  692 TRP A CD2 
599  N NE1 . TRP A 115 ? 0.90310 0.45565 0.56657 0.18790  0.00568  0.15424  692 TRP A NE1 
600  C CE2 . TRP A 115 ? 0.87946 0.45749 0.53370 0.16826  -0.00195 0.14132  692 TRP A CE2 
601  C CE3 . TRP A 115 ? 0.86807 0.45173 0.52803 0.12227  0.01263  0.11205  692 TRP A CE3 
602  C CZ2 . TRP A 115 ? 0.86642 0.47961 0.50748 0.17028  -0.02386 0.14074  692 TRP A CZ2 
603  C CZ3 . TRP A 115 ? 0.85672 0.47227 0.50535 0.12542  -0.00646 0.11253  692 TRP A CZ3 
604  C CH2 . TRP A 115 ? 0.86064 0.49024 0.49846 0.14833  -0.02441 0.12556  692 TRP A CH2 
605  N N   . VAL A 116 ? 0.90411 0.40982 0.64515 0.13614  0.06590  0.08238  693 VAL A N   
606  C CA  . VAL A 116 ? 0.89758 0.40984 0.66338 0.15286  0.06816  0.07779  693 VAL A CA  
607  C C   . VAL A 116 ? 0.91209 0.42903 0.68803 0.13311  0.07842  0.05013  693 VAL A C   
608  O O   . VAL A 116 ? 0.93100 0.42005 0.69855 0.11403  0.09295  0.03711  693 VAL A O   
609  C CB  . VAL A 116 ? 0.93580 0.40436 0.70767 0.17483  0.08394  0.09297  693 VAL A CB  
610  C CG1 . VAL A 116 ? 0.93216 0.41647 0.73531 0.19837  0.08223  0.09260  693 VAL A CG1 
611  C CG2 . VAL A 116 ? 0.94191 0.39440 0.69046 0.18894  0.07748  0.12211  693 VAL A CG2 
612  N N   . VAL A 117 ? 0.85624 0.40896 0.64943 0.13681  0.07095  0.04084  694 VAL A N   
613  C CA  . VAL A 117 ? 0.85118 0.40761 0.64931 0.12160  0.08242  0.01649  694 VAL A CA  
614  C C   . VAL A 117 ? 0.87609 0.40052 0.68971 0.13503  0.10495  0.00991  694 VAL A C   
615  O O   . VAL A 117 ? 0.87697 0.40264 0.71260 0.16111  0.10536  0.02304  694 VAL A O   
616  C CB  . VAL A 117 ? 0.85439 0.45918 0.66469 0.12011  0.06950  0.01116  694 VAL A CB  
617  C CG1 . VAL A 117 ? 0.85933 0.48300 0.69985 0.14705  0.06586  0.02187  694 VAL A CG1 
618  C CG2 . VAL A 117 ? 0.84092 0.44817 0.64619 0.10242  0.08192  -0.01208 694 VAL A CG2 
619  N N   . THR A 118 ? 0.93355 0.43054 0.73763 0.11767  0.12293  -0.01163 695 THR A N   
620  C CA  . THR A 118 ? 0.96421 0.42408 0.78073 0.12651  0.14806  -0.02334 695 THR A CA  
621  C C   . THR A 118 ? 0.96906 0.44071 0.78458 0.11553  0.15993  -0.05055 695 THR A C   
622  O O   . THR A 118 ? 0.95832 0.45568 0.75464 0.09445  0.15022  -0.06203 695 THR A O   
623  C CB  . THR A 118 ? 0.98398 0.39288 0.78822 0.11378  0.16292  -0.02890 695 THR A CB  
624  O OG1 . THR A 118 ? 0.97947 0.39318 0.76244 0.08228  0.16064  -0.05143 695 THR A OG1 
625  C CG2 . THR A 118 ? 0.98426 0.38130 0.78283 0.12154  0.15347  -0.00066 695 THR A CG2 
626  N N   . PRO A 119 ? 1.01684 0.46905 0.85153 0.13010  0.18220  -0.06092 696 PRO A N   
627  C CA  . PRO A 119 ? 1.01785 0.47570 0.84442 0.11784  0.19823  -0.08951 696 PRO A CA  
628  C C   . PRO A 119 ? 1.03121 0.46720 0.82270 0.08721  0.20271  -0.11397 696 PRO A C   
629  O O   . PRO A 119 ? 1.03707 0.49364 0.80550 0.06938  0.20119  -0.13151 696 PRO A O   
630  C CB  . PRO A 119 ? 1.04072 0.47240 0.89773 0.14133  0.22467  -0.09558 696 PRO A CB  
631  C CG  . PRO A 119 ? 1.04945 0.44630 0.92226 0.15936  0.22478  -0.07419 696 PRO A CG  
632  C CD  . PRO A 119 ? 1.03795 0.46146 0.90178 0.15912  0.19482  -0.04696 696 PRO A CD  
633  N N   . GLU A 120 ? 1.12805 0.52331 0.91539 0.08033  0.20766  -0.11489 697 GLU A N   
634  C CA  . GLU A 120 ? 1.13999 0.52027 0.89957 0.04934  0.20673  -0.13754 697 GLU A CA  
635  C C   . GLU A 120 ? 1.11311 0.53547 0.85295 0.03147  0.17929  -0.13131 697 GLU A C   
636  O O   . GLU A 120 ? 1.11449 0.54710 0.82902 0.00839  0.17397  -0.15204 697 GLU A O   
637  C CB  . GLU A 120 ? 1.15026 0.48325 0.91710 0.04502  0.21576  -0.13493 697 GLU A CB  
638  C CG  . GLU A 120 ? 1.18142 0.48536 0.97591 0.05993  0.23767  -0.13673 697 GLU A CG  
639  C CD  . GLU A 120 ? 1.18776 0.48747 1.00954 0.09367  0.23831  -0.10371 697 GLU A CD  
640  O OE1 . GLU A 120 ? 1.17115 0.48992 1.00471 0.11549  0.23881  -0.09731 697 GLU A OE1 
641  O OE2 . GLU A 120 ? 1.21613 0.49629 1.04822 0.09833  0.23749  -0.08347 697 GLU A OE2 
642  N N   . PHE A 121 ? 0.89139 0.33744 0.64179 0.04234  0.16114  -0.10303 698 PHE A N   
643  C CA  . PHE A 121 ? 0.84943 0.33359 0.58625 0.02769  0.13651  -0.09618 698 PHE A CA  
644  C C   . PHE A 121 ? 0.83915 0.35930 0.56447 0.02318  0.13079  -0.10440 698 PHE A C   
645  O O   . PHE A 121 ? 0.82823 0.36811 0.53304 0.00351  0.11705  -0.11162 698 PHE A O   
646  C CB  . PHE A 121 ? 0.82322 0.32395 0.57325 0.04247  0.12114  -0.06654 698 PHE A CB  
647  C CG  . PHE A 121 ? 0.78909 0.32919 0.53043 0.03080  0.09788  -0.05960 698 PHE A CG  
648  C CD1 . PHE A 121 ? 0.77879 0.31720 0.51166 0.01241  0.08851  -0.06040 698 PHE A CD1 
649  C CD2 . PHE A 121 ? 0.76867 0.34693 0.51490 0.03791  0.08697  -0.05296 698 PHE A CD2 
650  C CE1 . PHE A 121 ? 0.74804 0.32132 0.47700 0.00317  0.06823  -0.05421 698 PHE A CE1 
651  C CE2 . PHE A 121 ? 0.75508 0.36606 0.49579 0.02742  0.06679  -0.04649 698 PHE A CE2 
652  C CZ  . PHE A 121 ? 0.74699 0.35495 0.47878 0.01098  0.05729  -0.04697 698 PHE A CZ  
653  N N   . LEU A 122 ? 0.93746 0.46713 0.67785 0.04172  0.14162  -0.10193 699 LEU A N   
654  C CA  . LEU A 122 ? 0.93864 0.50017 0.66929 0.03712  0.14102  -0.10854 699 LEU A CA  
655  C C   . LEU A 122 ? 0.96688 0.51582 0.66269 0.01574  0.15080  -0.13610 699 LEU A C   
656  O O   . LEU A 122 ? 0.95817 0.53150 0.62946 0.00112  0.14019  -0.13923 699 LEU A O   
657  C CB  . LEU A 122 ? 0.93768 0.50960 0.69785 0.06066  0.15554  -0.10353 699 LEU A CB  
658  C CG  . LEU A 122 ? 0.92842 0.52302 0.72134 0.08131  0.14017  -0.07685 699 LEU A CG  
659  C CD1 . LEU A 122 ? 0.93015 0.54837 0.75651 0.10078  0.15046  -0.07401 699 LEU A CD1 
660  C CD2 . LEU A 122 ? 0.89207 0.51683 0.67582 0.07021  0.11327  -0.06286 699 LEU A CD2 
661  N N   . GLU A 123 ? 1.27659 0.78605 0.96791 0.01327  0.17010  -0.15629 700 GLU A N   
662  C CA  . GLU A 123 ? 1.29460 0.79145 0.95001 -0.00649 0.18022  -0.18648 700 GLU A CA  
663  C C   . GLU A 123 ? 1.29219 0.79223 0.92146 -0.03249 0.15864  -0.19415 700 GLU A C   
664  O O   . GLU A 123 ? 1.32134 0.83584 0.91499 -0.04959 0.15135  -0.20790 700 GLU A O   
665  C CB  . GLU A 123 ? 1.32481 0.77711 0.98777 -0.00025 0.20949  -0.20845 700 GLU A CB  
666  C CG  . GLU A 123 ? 1.32957 0.78487 1.02276 0.02673  0.23031  -0.20120 700 GLU A CG  
667  C CD  . GLU A 123 ? 1.40287 0.81203 1.11654 0.03963  0.25904  -0.21616 700 GLU A CD  
668  O OE1 . GLU A 123 ? 1.43974 0.82429 1.14062 0.02277  0.26363  -0.23672 700 GLU A OE1 
669  O OE2 . GLU A 123 ? 1.40919 0.81876 1.16098 0.06657  0.27169  -0.20313 700 GLU A OE2 
670  N N   . LYS A 124 ? 1.02339 0.51198 0.67041 -0.03528 0.14800  -0.18415 701 LYS A N   
671  C CA  . LYS A 124 ? 1.00986 0.50487 0.64231 -0.05937 0.12782  -0.19144 701 LYS A CA  
672  C C   . LYS A 124 ? 1.00245 0.54124 0.61691 -0.06709 0.10357  -0.18066 701 LYS A C   
673  O O   . LYS A 124 ? 1.00942 0.55848 0.59862 -0.08745 0.08900  -0.19452 701 LYS A O   
674  C CB  . LYS A 124 ? 0.99386 0.47527 0.65432 -0.05801 0.12268  -0.17618 701 LYS A CB  
675  C CG  . LYS A 124 ? 0.99562 0.48671 0.65218 -0.08232 0.10324  -0.18312 701 LYS A CG  
676  C CD  . LYS A 124 ? 0.98056 0.45994 0.66571 -0.08060 0.10212  -0.16584 701 LYS A CD  
677  C CE  . LYS A 124 ? 0.97599 0.46830 0.66508 -0.10551 0.08487  -0.17505 701 LYS A CE  
678  N NZ  . LYS A 124 ? 0.94656 0.43186 0.66315 -0.10505 0.08575  -0.15720 701 LYS A NZ  
679  N N   . TYR A 125 ? 0.86635 0.54925 0.67904 -0.20584 -0.03517 -0.05534 702 TYR A N   
680  C CA  . TYR A 125 ? 0.82976 0.58324 0.66757 -0.19701 -0.02333 -0.05086 702 TYR A CA  
681  C C   . TYR A 125 ? 0.83007 0.59323 0.63637 -0.17072 -0.02705 -0.07326 702 TYR A C   
682  O O   . TYR A 125 ? 0.78433 0.60138 0.61460 -0.16124 -0.02078 -0.06626 702 TYR A O   
683  C CB  . TYR A 125 ? 0.77987 0.57018 0.64004 -0.18363 0.00560  -0.03075 702 TYR A CB  
684  C CG  . TYR A 125 ? 0.77695 0.58980 0.67661 -0.20723 0.01398  -0.00079 702 TYR A CG  
685  C CD1 . TYR A 125 ? 0.75137 0.62333 0.70325 -0.22302 0.01470  0.01587  702 TYR A CD1 
686  C CD2 . TYR A 125 ? 0.80619 0.58952 0.69671 -0.21388 0.02076  0.01713  702 TYR A CD2 
687  C CE1 . TYR A 125 ? 0.75328 0.66079 0.74674 -0.24302 0.02449  0.04980  702 TYR A CE1 
688  C CE2 . TYR A 125 ? 0.81140 0.63135 0.74372 -0.23677 0.02918  0.05436  702 TYR A CE2 
689  C CZ  . TYR A 125 ? 0.78439 0.66947 0.76770 -0.25029 0.03221  0.07047  702 TYR A CZ  
690  O OH  . TYR A 125 ? 0.78713 0.72338 0.81728 -0.27099 0.04269  0.11306  702 TYR A OH  
691  N N   . LYS A 126 ? 0.91610 0.63176 0.67366 -0.15767 -0.03860 -0.09757 703 LYS A N   
692  C CA  . LYS A 126 ? 0.90179 0.63799 0.62715 -0.13029 -0.04056 -0.11444 703 LYS A CA  
693  C C   . LYS A 126 ? 0.85691 0.63482 0.59753 -0.10800 -0.02113 -0.09742 703 LYS A C   
694  O O   . LYS A 126 ? 0.83597 0.67076 0.59923 -0.10434 -0.02377 -0.08766 703 LYS A O   
695  C CB  . LYS A 126 ? 0.90812 0.68608 0.63815 -0.14406 -0.06068 -0.12167 703 LYS A CB  
696  C CG  . LYS A 126 ? 0.96082 0.69064 0.66257 -0.16231 -0.08816 -0.14731 703 LYS A CG  
697  C CD  . LYS A 126 ? 0.95442 0.72993 0.68408 -0.19316 -0.10931 -0.14052 703 LYS A CD  
698  C CE  . LYS A 126 ? 0.95859 0.71213 0.73240 -0.23347 -0.12099 -0.12278 703 LYS A CE  
699  N NZ  . LYS A 126 ? 0.92523 0.73793 0.74257 -0.26383 -0.13742 -0.10491 703 LYS A NZ  
700  N N   . ILE A 127 ? 0.87076 0.61809 0.60218 -0.09543 -0.00571 -0.09123 704 ILE A N   
701  C CA  . ILE A 127 ? 0.82904 0.60319 0.57013 -0.07561 0.00719  -0.07781 704 ILE A CA  
702  C C   . ILE A 127 ? 0.80216 0.57331 0.50968 -0.04706 0.00704  -0.08294 704 ILE A C   
703  O O   . ILE A 127 ? 0.81275 0.53742 0.48478 -0.03486 0.00885  -0.09473 704 ILE A O   
704  C CB  . ILE A 127 ? 0.81421 0.56659 0.55902 -0.07676 0.02261  -0.06679 704 ILE A CB  
705  C CG1 . ILE A 127 ? 0.82754 0.60715 0.61189 -0.09762 0.02792  -0.05637 704 ILE A CG1 
706  C CG2 . ILE A 127 ? 0.77510 0.53933 0.51441 -0.05351 0.02955  -0.05948 704 ILE A CG2 
707  C CD1 . ILE A 127 ? 0.82453 0.58885 0.60610 -0.10258 0.04352  -0.04314 704 ILE A CD1 
708  N N   . ASP A 128 ? 0.78743 0.61052 0.51232 -0.03551 0.00366  -0.07012 705 ASP A N   
709  C CA  . ASP A 128 ? 0.75852 0.59522 0.46059 -0.00784 0.00527  -0.06492 705 ASP A CA  
710  C C   . ASP A 128 ? 0.73430 0.55506 0.43714 0.00496  0.01302  -0.05072 705 ASP A C   
711  O O   . ASP A 128 ? 0.73539 0.54249 0.41162 0.02720  0.01861  -0.04891 705 ASP A O   
712  C CB  . ASP A 128 ? 0.73140 0.64158 0.45806 -0.00410 -0.00557 -0.04705 705 ASP A CB  
713  C CG  . ASP A 128 ? 0.74778 0.68325 0.46965 -0.01684 -0.01530 -0.05889 705 ASP A CG  
714  O OD1 . ASP A 128 ? 0.77867 0.68548 0.45416 -0.00848 -0.01490 -0.08536 705 ASP A OD1 
715  O OD2 . ASP A 128 ? 0.73134 0.71109 0.49630 -0.03491 -0.02619 -0.04325 705 ASP A OD2 
716  N N   . TYR A 129 ? 0.73730 0.56058 0.46855 -0.00632 0.01249  -0.04222 706 TYR A N   
717  C CA  . TYR A 129 ? 0.71563 0.53023 0.44620 0.00472  0.01362  -0.03006 706 TYR A CA  
718  C C   . TYR A 129 ? 0.72097 0.51389 0.45535 -0.00599 0.02089  -0.03638 706 TYR A C   
719  O O   . TYR A 129 ? 0.75209 0.55694 0.50956 -0.02007 0.02192  -0.04326 706 TYR A O   
720  C CB  . TYR A 129 ? 0.69890 0.55854 0.46465 0.00996  -0.00387 -0.00965 706 TYR A CB  
721  C CG  . TYR A 129 ? 0.67795 0.58016 0.44461 0.02327  -0.00942 0.00793  706 TYR A CG  
722  C CD1 . TYR A 129 ? 0.66647 0.61455 0.44964 0.01753  -0.01592 0.01171  706 TYR A CD1 
723  C CD2 . TYR A 129 ? 0.65764 0.56466 0.41009 0.04286  -0.00776 0.02482  706 TYR A CD2 
724  C CE1 . TYR A 129 ? 0.64205 0.64462 0.42291 0.03297  -0.01844 0.03104  706 TYR A CE1 
725  C CE2 . TYR A 129 ? 0.64332 0.60367 0.39869 0.05930  -0.00937 0.04514  706 TYR A CE2 
726  C CZ  . TYR A 129 ? 0.63374 0.64463 0.40109 0.05538  -0.01362 0.04786  706 TYR A CZ  
727  O OH  . TYR A 129 ? 0.60855 0.68761 0.37532 0.07529  -0.01252 0.07138  706 TYR A OH  
728  N N   . VAL A 130 ? 0.72085 0.49016 0.43269 0.00270  0.02653  -0.03147 707 VAL A N   
729  C CA  . VAL A 130 ? 0.71721 0.47886 0.42456 -0.00144 0.03428  -0.03542 707 VAL A CA  
730  C C   . VAL A 130 ? 0.71548 0.48628 0.42680 0.01038  0.01958  -0.03205 707 VAL A C   
731  O O   . VAL A 130 ? 0.73017 0.49246 0.42590 0.02016  0.01303  -0.01883 707 VAL A O   
732  C CB  . VAL A 130 ? 0.72425 0.45362 0.39960 -0.00420 0.04970  -0.02946 707 VAL A CB  
733  C CG1 . VAL A 130 ? 0.72956 0.46382 0.38814 0.00053  0.05532  -0.02606 707 VAL A CG1 
734  C CG2 . VAL A 130 ? 0.74818 0.46978 0.43201 -0.02309 0.05863  -0.03249 707 VAL A CG2 
735  N N   . ALA A 131 ? 0.65663 0.44279 0.39113 0.01050  0.01146  -0.04424 708 ALA A N   
736  C CA  . ALA A 131 ? 0.67387 0.45892 0.41444 0.02098  -0.01091 -0.04778 708 ALA A CA  
737  C C   . ALA A 131 ? 0.67975 0.45453 0.38449 0.02938  -0.00098 -0.06352 708 ALA A C   
738  O O   . ALA A 131 ? 0.68545 0.47329 0.38988 0.02990  0.01669  -0.07769 708 ALA A O   
739  C CB  . ALA A 131 ? 0.68700 0.48986 0.47958 0.02023  -0.03306 -0.05473 708 ALA A CB  
740  N N   . HIS A 132 ? 0.80642 0.56652 0.48185 0.03663  -0.01256 -0.05828 709 HIS A N   
741  C CA  . HIS A 132 ? 0.82409 0.58186 0.45585 0.04593  -0.00468 -0.07174 709 HIS A CA  
742  C C   . HIS A 132 ? 0.84909 0.59099 0.46068 0.05243  -0.03336 -0.06853 709 HIS A C   
743  O O   . HIS A 132 ? 0.84377 0.57907 0.46885 0.04742  -0.04871 -0.04361 709 HIS A O   
744  C CB  . HIS A 132 ? 0.81534 0.57684 0.41505 0.03919  0.02705  -0.05532 709 HIS A CB  
745  N N   . ASP A 133 ? 1.13607 0.87698 0.71338 0.06495  -0.04052 -0.09310 710 ASP A N   
746  C CA  . ASP A 133 ? 1.17548 0.89850 0.72999 0.06947  -0.07475 -0.09471 710 ASP A CA  
747  C C   . ASP A 133 ? 1.17363 0.89737 0.69259 0.06322  -0.06657 -0.06213 710 ASP A C   
748  O O   . ASP A 133 ? 1.14938 0.88288 0.65899 0.05745  -0.03399 -0.04138 710 ASP A O   
749  C CB  . ASP A 133 ? 1.21245 0.93371 0.73062 0.08875  -0.08565 -0.13820 710 ASP A CB  
750  C CG  . ASP A 133 ? 1.20581 0.96156 0.69045 0.09907  -0.04225 -0.15052 710 ASP A CG  
751  O OD1 . ASP A 133 ? 1.20083 0.97494 0.65416 0.09115  -0.01606 -0.12282 710 ASP A OD1 
752  O OD2 . ASP A 133 ? 1.22678 0.99533 0.72255 0.11507  -0.03498 -0.18294 710 ASP A OD2 
753  N N   . ASP A 144 ? 1.47268 1.10482 0.97254 0.04309  0.04083  0.23606  739 ASP A N   
754  C CA  . ASP A 144 ? 1.46147 1.12244 0.94054 0.02947  0.04861  0.20992  739 ASP A CA  
755  C C   . ASP A 144 ? 1.45820 1.09761 0.95999 0.01901  0.06290  0.19618  739 ASP A C   
756  O O   . ASP A 144 ? 1.46468 1.06008 0.99352 0.02393  0.06238  0.19680  739 ASP A O   
757  C CB  . ASP A 144 ? 1.42672 1.10684 0.89592 0.03749  0.03622  0.17533  739 ASP A CB  
758  C CG  . ASP A 144 ? 1.38810 1.04819 0.88945 0.04830  0.03381  0.15383  739 ASP A CG  
759  O OD1 . ASP A 144 ? 1.37023 1.02535 0.88293 0.04285  0.04360  0.12822  739 ASP A OD1 
760  O OD2 . ASP A 144 ? 1.37691 1.03577 0.89260 0.06231  0.02186  0.16553  739 ASP A OD2 
761  N N   . ILE A 145 ? 1.20526 0.87708 0.69596 0.00609  0.07401  0.18347  740 ILE A N   
762  C CA  . ILE A 145 ? 1.20943 0.86911 0.72602 -0.00813 0.08463  0.17588  740 ILE A CA  
763  C C   . ILE A 145 ? 1.22250 0.85603 0.75857 -0.00061 0.08041  0.13797  740 ILE A C   
764  O O   . ILE A 145 ? 1.24109 0.85688 0.79980 -0.01265 0.08393  0.12983  740 ILE A O   
765  C CB  . ILE A 145 ? 1.19860 0.91511 0.70208 -0.02009 0.10001  0.17593  740 ILE A CB  
766  N N   . TYR A 146 ? 1.08930 0.72492 0.61952 0.01694  0.07023  0.11933  741 TYR A N   
767  C CA  . TYR A 146 ? 1.08068 0.70722 0.62904 0.02472  0.06565  0.09018  741 TYR A CA  
768  C C   . TYR A 146 ? 1.09128 0.69070 0.64943 0.04423  0.05873  0.09414  741 TYR A C   
769  O O   . TYR A 146 ? 1.07606 0.67988 0.64599 0.05380  0.05543  0.07450  741 TYR A O   
770  C CB  . TYR A 146 ? 1.03739 0.69904 0.58181 0.02907  0.05725  0.06920  741 TYR A CB  
771  N N   . ALA A 147 ? 0.94350 0.52157 0.49877 0.05265  0.05727  0.12128  742 ALA A N   
772  C CA  . ALA A 147 ? 0.94862 0.50902 0.51411 0.07881  0.05319  0.12588  742 ALA A CA  
773  C C   . ALA A 147 ? 0.99869 0.52901 0.57410 0.08857  0.05610  0.09761  742 ALA A C   
774  O O   . ALA A 147 ? 0.98906 0.53292 0.56837 0.11224  0.05542  0.08623  742 ALA A O   
775  C CB  . ALA A 147 ? 0.97903 0.51437 0.54672 0.08597  0.05146  0.16026  742 ALA A CB  
776  N N   . TRP A 148 ? 1.07697 0.57114 0.65651 0.07052  0.05739  0.08832  743 TRP A N   
777  C CA  . TRP A 148 ? 1.10513 0.56503 0.68889 0.07772  0.05414  0.05701  743 TRP A CA  
778  C C   . TRP A 148 ? 1.07900 0.58073 0.66052 0.07772  0.05555  0.03049  743 TRP A C   
779  O O   . TRP A 148 ? 1.09362 0.58687 0.67094 0.09441  0.05306  0.00514  743 TRP A O   
780  C CB  . TRP A 148 ? 1.14633 0.56100 0.74171 0.05067  0.04829  0.05782  743 TRP A CB  
781  C CG  . TRP A 148 ? 1.11953 0.57158 0.72009 0.01885  0.05369  0.06036  743 TRP A CG  
782  C CD1 . TRP A 148 ? 1.10504 0.59350 0.70463 0.00122  0.06197  0.08798  743 TRP A CD1 
783  C CD2 . TRP A 148 ? 1.09923 0.56284 0.70650 0.00440  0.05199  0.03426  743 TRP A CD2 
784  N NE1 . TRP A 148 ? 1.09025 0.61292 0.69728 -0.01950 0.06784  0.07896  743 TRP A NE1 
785  C CE2 . TRP A 148 ? 1.08998 0.59665 0.70559 -0.01986 0.06091  0.04846  743 TRP A CE2 
786  C CE3 . TRP A 148 ? 1.10179 0.54843 0.70727 0.01133  0.04350  0.00064  743 TRP A CE3 
787  C CZ2 . TRP A 148 ? 1.08022 0.61152 0.71010 -0.03747 0.06172  0.03322  743 TRP A CZ2 
788  C CZ3 . TRP A 148 ? 1.07417 0.54455 0.69079 -0.01022 0.04178  -0.01326 743 TRP A CZ3 
789  C CH2 . TRP A 148 ? 1.06865 0.58004 0.70117 -0.03457 0.05087  0.00442  743 TRP A CH2 
790  N N   . LEU A 149 ? 0.93556 0.48356 0.51970 0.06123  0.05778  0.03536  744 LEU A N   
791  C CA  . LEU A 149 ? 0.88830 0.47745 0.48007 0.06065  0.05529  0.01720  744 LEU A CA  
792  C C   . LEU A 149 ? 0.86767 0.49247 0.46272 0.08550  0.05116  0.02605  744 LEU A C   
793  O O   . LEU A 149 ? 0.85917 0.50760 0.45899 0.09756  0.04966  0.01408  744 LEU A O   
794  C CB  . LEU A 149 ? 0.83363 0.45464 0.43285 0.03956  0.05573  0.01756  744 LEU A CB  
795  C CG  . LEU A 149 ? 0.85587 0.46889 0.46089 0.01462  0.06228  0.01259  744 LEU A CG  
796  C CD1 . LEU A 149 ? 0.80468 0.45329 0.40743 0.00692  0.06678  0.01796  744 LEU A CD1 
797  C CD2 . LEU A 149 ? 0.82927 0.44719 0.45020 0.00480  0.05887  -0.00905 744 LEU A CD2 
798  N N   . LYS A 150 ? 0.92781 0.56456 0.52200 0.09238  0.04783  0.05146  745 LYS A N   
799  C CA  . LYS A 150 ? 0.90633 0.58106 0.51158 0.11511  0.04214  0.06925  745 LYS A CA  
800  C C   . LYS A 150 ? 0.96007 0.62474 0.56012 0.14594  0.05120  0.06268  745 LYS A C   
801  O O   . LYS A 150 ? 0.94840 0.66091 0.55875 0.16721  0.05124  0.07014  745 LYS A O   
802  C CB  . LYS A 150 ? 0.86178 0.54483 0.46710 0.11602  0.03371  0.10031  745 LYS A CB  
803  C CG  . LYS A 150 ? 0.83197 0.52484 0.43369 0.09179  0.02167  0.09869  745 LYS A CG  
804  C CD  . LYS A 150 ? 0.81321 0.51810 0.41072 0.09226  0.00624  0.12671  745 LYS A CD  
805  C CE  . LYS A 150 ? 0.81431 0.52079 0.39528 0.07304  -0.00605 0.11408  745 LYS A CE  
806  N NZ  . LYS A 150 ? 0.79830 0.50994 0.36294 0.07183  -0.02288 0.13780  745 LYS A NZ  
807  N N   . ARG A 151 ? 0.99781 0.60313 0.58370 0.14993  0.05721  0.04863  746 ARG A N   
808  C CA  . ARG A 151 ? 1.04765 0.63101 0.62490 0.18654  0.06289  0.03484  746 ARG A CA  
809  C C   . ARG A 151 ? 1.05014 0.64302 0.61574 0.19125  0.06330  -0.00142 746 ARG A C   
810  O O   . ARG A 151 ? 1.05515 0.67238 0.61141 0.22795  0.06906  -0.01146 746 ARG A O   
811  C CB  . ARG A 151 ? 1.08263 0.59116 0.65616 0.18841  0.06142  0.03519  746 ARG A CB  
812  C CG  . ARG A 151 ? 1.07609 0.58693 0.66062 0.20390  0.06242  0.07323  746 ARG A CG  
813  C CD  . ARG A 151 ? 1.12696 0.56315 0.71588 0.20990  0.05818  0.07641  746 ARG A CD  
814  N NE  . ARG A 151 ? 1.13990 0.54067 0.73090 0.16797  0.05151  0.08133  746 ARG A NE  
815  C CZ  . ARG A 151 ? 1.12382 0.52094 0.72307 0.14769  0.04886  0.11890  746 ARG A CZ  
816  N NH1 . ARG A 151 ? 1.08815 0.52291 0.68965 0.15750  0.05033  0.15193  746 ARG A NH1 
817  N NH2 . ARG A 151 ? 1.15375 0.51634 0.76045 0.11650  0.04312  0.12749  746 ARG A NH2 
818  N N   . ALA A 152 ? 1.00903 0.58861 0.57437 0.15789  0.05784  -0.01889 747 ALA A N   
819  C CA  . ALA A 152 ? 0.98537 0.58309 0.54139 0.15760  0.05494  -0.04846 747 ALA A CA  
820  C C   . ALA A 152 ? 0.92287 0.60594 0.49376 0.16013  0.05547  -0.03298 747 ALA A C   
821  O O   . ALA A 152 ? 0.89542 0.60879 0.46068 0.15997  0.05275  -0.05058 747 ALA A O   
822  C CB  . ALA A 152 ? 0.97449 0.53693 0.53430 0.11880  0.04704  -0.06466 747 ALA A CB  
823  N N   . GLY A 153 ? 0.85422 0.57735 0.44641 0.16105  0.05487  0.00227  748 GLY A N   
824  C CA  . GLY A 153 ? 0.78886 0.58575 0.40803 0.15354  0.04711  0.02309  748 GLY A CA  
825  C C   . GLY A 153 ? 0.74463 0.54236 0.37985 0.11834  0.03772  0.01337  748 GLY A C   
826  O O   . GLY A 153 ? 0.70304 0.55653 0.36355 0.11122  0.02843  0.02460  748 GLY A O   
827  N N   . LYS A 154 ? 0.84810 0.59127 0.47460 0.09688  0.03961  -0.00276 749 LYS A N   
828  C CA  . LYS A 154 ? 0.81861 0.56490 0.46180 0.06784  0.03429  -0.01301 749 LYS A CA  
829  C C   . LYS A 154 ? 0.79988 0.54736 0.45814 0.05359  0.02910  -0.00085 749 LYS A C   
830  O O   . LYS A 154 ? 0.78386 0.53050 0.45427 0.03462  0.02834  -0.01143 749 LYS A O   
831  C CB  . LYS A 154 ? 0.84276 0.54061 0.47071 0.05316  0.03927  -0.03695 749 LYS A CB  
832  C CG  . LYS A 154 ? 0.86347 0.55466 0.47345 0.06366  0.03715  -0.05943 749 LYS A CG  
833  C CD  . LYS A 154 ? 0.89759 0.55448 0.50781 0.03735  0.03195  -0.07914 749 LYS A CD  
834  C CE  . LYS A 154 ? 0.92606 0.59789 0.52245 0.04140  0.02270  -0.10304 749 LYS A CE  
835  N NZ  . LYS A 154 ? 0.98403 0.60651 0.57558 0.01730  0.01119  -0.12435 749 LYS A NZ  
836  N N   . PHE A 155 ? 0.90094 0.65353 0.55817 0.06417  0.02415  0.01977  750 PHE A N   
837  C CA  . PHE A 155 ? 0.88874 0.63916 0.55066 0.05377  0.01491  0.02501  750 PHE A CA  
838  C C   . PHE A 155 ? 0.85646 0.64618 0.55356 0.05188  -0.00863 0.03754  750 PHE A C   
839  O O   . PHE A 155 ? 0.84517 0.66760 0.55956 0.06246  -0.01815 0.06165  750 PHE A O   
840  C CB  . PHE A 155 ? 0.90831 0.63671 0.54683 0.06205  0.01737  0.04104  750 PHE A CB  
841  C CG  . PHE A 155 ? 0.91370 0.63944 0.54384 0.05316  0.00735  0.04095  750 PHE A CG  
842  C CD1 . PHE A 155 ? 0.89794 0.64447 0.54597 0.05339  -0.01825 0.04980  750 PHE A CD1 
843  C CD2 . PHE A 155 ? 0.94440 0.64978 0.54872 0.04496  0.02081  0.03295  750 PHE A CD2 
844  C CE1 . PHE A 155 ? 0.91537 0.65384 0.54798 0.04865  -0.03172 0.04100  750 PHE A CE1 
845  C CE2 . PHE A 155 ? 0.95181 0.66270 0.53867 0.04211  0.01301  0.02855  750 PHE A CE2 
846  C CZ  . PHE A 155 ? 0.95187 0.67502 0.54910 0.04552  -0.01406 0.02767  750 PHE A CZ  
847  N N   . LYS A 156 ? 0.80375 0.59264 0.51591 0.03976  -0.01958 0.02370  751 LYS A N   
848  C CA  . LYS A 156 ? 0.79828 0.61104 0.55071 0.03596  -0.04989 0.03391  751 LYS A CA  
849  C C   . LYS A 156 ? 0.84017 0.62760 0.58214 0.03401  -0.06374 0.01642  751 LYS A C   
850  O O   . LYS A 156 ? 0.85735 0.63203 0.58767 0.03203  -0.05160 -0.01058 751 LYS A O   
851  C CB  . LYS A 156 ? 0.79806 0.63867 0.59028 0.02741  -0.05583 0.03030  751 LYS A CB  
852  C CG  . LYS A 156 ? 0.77548 0.64944 0.57006 0.03149  -0.04400 0.04380  751 LYS A CG  
853  C CD  . LYS A 156 ? 0.73401 0.65009 0.54760 0.04160  -0.05752 0.08142  751 LYS A CD  
854  C CE  . LYS A 156 ? 0.69432 0.66166 0.56751 0.03126  -0.08481 0.10770  751 LYS A CE  
855  N NZ  . LYS A 156 ? 0.66198 0.68084 0.56407 0.03791  -0.10170 0.15508  751 LYS A NZ  
856  N N   . ALA A 157 ? 0.79984 0.58488 0.54619 0.03592  -0.09065 0.03189  752 ALA A N   
857  C CA  . ALA A 157 ? 0.87678 0.63476 0.59873 0.03768  -0.10617 0.01071  752 ALA A CA  
858  C C   . ALA A 157 ? 0.90152 0.65344 0.66068 0.03559  -0.13714 -0.00971 752 ALA A C   
859  O O   . ALA A 157 ? 0.87756 0.64377 0.68994 0.02840  -0.16884 0.01206  752 ALA A O   
860  C CB  . ALA A 157 ? 0.86358 0.61724 0.57241 0.03873  -0.12774 0.03503  752 ALA A CB  
861  N N   . THR A 158 ? 0.57301 0.88352 0.81841 0.08514  -0.00504 0.03662  753 THR A N   
862  C CA  . THR A 158 ? 0.61493 0.88522 0.79944 0.08208  -0.01393 0.03396  753 THR A CA  
863  C C   . THR A 158 ? 0.67471 0.93681 0.84035 0.06212  -0.01221 0.05498  753 THR A C   
864  O O   . THR A 158 ? 0.66855 0.95294 0.87217 0.05911  -0.00394 0.06638  753 THR A O   
865  C CB  . THR A 158 ? 0.60334 0.85845 0.79300 0.10404  -0.01632 0.00635  753 THR A CB  
866  O OG1 . THR A 158 ? 0.58316 0.85802 0.83256 0.10993  -0.00513 -0.00140 753 THR A OG1 
867  C CG2 . THR A 158 ? 0.55867 0.82071 0.74926 0.12529  -0.02189 -0.01637 753 THR A CG2 
868  N N   . GLN A 159 ? 0.81025 1.04006 0.91567 0.04954  -0.01839 0.05986  754 GLN A N   
869  C CA  . GLN A 159 ? 0.83583 1.06165 0.91811 0.02783  -0.01775 0.07732  754 GLN A CA  
870  C C   . GLN A 159 ? 0.87555 1.07307 0.94148 0.03159  -0.01838 0.06997  754 GLN A C   
871  O O   . GLN A 159 ? 0.87913 1.04973 0.93152 0.04775  -0.02156 0.05129  754 GLN A O   
872  C CB  . GLN A 159 ? 0.82785 1.03761 0.85738 0.00643  -0.02028 0.08543  754 GLN A CB  
873  C CG  . GLN A 159 ? 0.78764 1.03281 0.83463 -0.00550 -0.01830 0.09709  754 GLN A CG  
874  C CD  . GLN A 159 ? 0.77033 1.02696 0.84382 0.01199  -0.01784 0.08812  754 GLN A CD  
875  O OE1 . GLN A 159 ? 0.82847 1.06375 0.86922 0.01316  -0.01860 0.08197  754 GLN A OE1 
876  N NE2 . GLN A 159 ? 0.70655 0.99587 0.83887 0.02612  -0.01442 0.08706  754 GLN A NE2 
877  N N   . ARG A 160 ? 0.85902 1.06595 0.92621 0.01808  -0.01553 0.08432  755 ARG A N   
878  C CA  . ARG A 160 ? 0.87465 1.05514 0.92071 0.01651  -0.01560 0.08032  755 ARG A CA  
879  C C   . ARG A 160 ? 0.85306 1.00849 0.83940 -0.00567 -0.01979 0.08528  755 ARG A C   
880  O O   . ARG A 160 ? 0.84085 1.01499 0.81490 -0.02527 -0.02002 0.09754  755 ARG A O   
881  C CB  . ARG A 160 ? 0.84957 1.05371 0.92969 0.01653  -0.00786 0.09285  755 ARG A CB  
882  C CG  . ARG A 160 ? 0.83582 1.06174 0.97849 0.03610  0.00294  0.08917  755 ARG A CG  
883  C CD  . ARG A 160 ? 0.79952 1.03137 0.96188 0.03810  0.01416  0.10049  755 ARG A CD  
884  N NE  . ARG A 160 ? 0.75243 1.01160 0.97072 0.05065  0.02969  0.10943  755 ARG A NE  
885  C CZ  . ARG A 160 ? 0.73586 0.98856 0.99780 0.06621  0.04533  0.09669  755 ARG A CZ  
886  N NH1 . ARG A 160 ? 0.74895 0.97457 1.00859 0.07227  0.04492  0.07187  755 ARG A NH1 
887  N NH2 . ARG A 160 ? 0.67224 0.94615 0.98225 0.07616  0.06370  0.10791  755 ARG A NH2 
888  N N   . THR A 161 ? 0.64741 0.76135 0.59844 -0.00267 -0.02165 0.07347  756 THR A N   
889  C CA  . THR A 161 ? 0.67407 0.75929 0.57087 -0.02420 -0.02171 0.07618  756 THR A CA  
890  C C   . THR A 161 ? 0.65416 0.74674 0.55497 -0.03326 -0.02028 0.08181  756 THR A C   
891  O O   . THR A 161 ? 0.66083 0.74505 0.58042 -0.01774 -0.01919 0.07440  756 THR A O   
892  C CB  . THR A 161 ? 0.69949 0.73122 0.55095 -0.01369 -0.02259 0.06147  756 THR A CB  
893  O OG1 . THR A 161 ? 0.71448 0.74343 0.56895 0.00453  -0.02431 0.05476  756 THR A OG1 
894  C CG2 . THR A 161 ? 0.70460 0.70244 0.49825 -0.03847 -0.01759 0.06462  756 THR A CG2 
895  N N   . GLU A 162 ? 1.00389 1.11509 0.88852 -0.05782 -0.01957 0.09298  757 GLU A N   
896  C CA  . GLU A 162 ? 1.00182 1.12012 0.88260 -0.06620 -0.01862 0.09771  757 GLU A CA  
897  C C   . GLU A 162 ? 1.02078 1.09082 0.85364 -0.07603 -0.01772 0.08587  757 GLU A C   
898  O O   . GLU A 162 ? 1.04399 1.08046 0.83925 -0.08446 -0.01593 0.07838  757 GLU A O   
899  C CB  . GLU A 162 ? 0.94646 1.11272 0.82998 -0.08610 -0.01940 0.11174  757 GLU A CB  
900  C CG  . GLU A 162 ? 0.93115 1.14595 0.85716 -0.07735 -0.01973 0.12494  757 GLU A CG  
901  C CD  . GLU A 162 ? 0.93313 1.15485 0.90534 -0.05014 -0.01505 0.12976  757 GLU A CD  
902  O OE1 . GLU A 162 ? 0.95043 1.14705 0.92345 -0.04027 -0.01159 0.12390  757 GLU A OE1 
903  O OE2 . GLU A 162 ? 0.90949 1.16095 0.91871 -0.03949 -0.01280 0.13790  757 GLU A OE2 
904  N N   . GLY A 163 ? 0.79535 0.85879 0.62914 -0.07353 -0.01671 0.08459  758 GLY A N   
905  C CA  . GLY A 163 ? 0.80747 0.83266 0.59749 -0.08690 -0.01501 0.07535  758 GLY A CA  
906  C C   . GLY A 163 ? 0.83063 0.80104 0.59783 -0.07138 -0.01453 0.05961  758 GLY A C   
907  O O   . GLY A 163 ? 0.84762 0.77982 0.57113 -0.08366 -0.01116 0.05244  758 GLY A O   
908  N N   . VAL A 164 ? 0.76137 0.72846 0.55713 -0.04375 -0.01698 0.05230  759 VAL A N   
909  C CA  . VAL A 164 ? 0.78473 0.70690 0.55892 -0.02426 -0.01838 0.03521  759 VAL A CA  
910  C C   . VAL A 164 ? 0.76892 0.69851 0.58406 -0.00034 -0.01945 0.02304  759 VAL A C   
911  O O   . VAL A 164 ? 0.77220 0.67812 0.58243 0.02197  -0.02244 0.00533  759 VAL A O   
912  C CB  . VAL A 164 ? 0.80240 0.70980 0.56053 -0.01169 -0.02019 0.03138  759 VAL A CB  
913  C CG1 . VAL A 164 ? 0.81336 0.70461 0.52794 -0.03681 -0.01446 0.04047  759 VAL A CG1 
914  C CG2 . VAL A 164 ? 0.78048 0.73019 0.59027 0.00290  -0.02330 0.03324  759 VAL A CG2 
915  N N   . SER A 165 ? 0.74915 0.71236 0.60468 -0.00354 -0.01544 0.03135  760 SER A N   
916  C CA  . SER A 165 ? 0.72510 0.69428 0.62356 0.01592  -0.01114 0.01869  760 SER A CA  
917  C C   . SER A 165 ? 0.73091 0.66653 0.60706 0.01673  -0.01011 0.00579  760 SER A C   
918  O O   . SER A 165 ? 0.74499 0.66009 0.57876 -0.00160 -0.01071 0.01192  760 SER A O   
919  C CB  . SER A 165 ? 0.68974 0.69660 0.63204 0.01269  -0.00213 0.03411  760 SER A CB  
920  O OG  . SER A 165 ? 0.68048 0.68392 0.60611 -0.00150 0.00216  0.04400  760 SER A OG  
921  N N   . THR A 166 ? 0.70628 0.63885 0.61470 0.03762  -0.00739 -0.01479 761 THR A N   
922  C CA  . THR A 166 ? 0.73124 0.63562 0.62592 0.04032  -0.00558 -0.02938 761 THR A CA  
923  C C   . THR A 166 ? 0.73900 0.64500 0.62608 0.01961  0.00201  -0.01342 761 THR A C   
924  O O   . THR A 166 ? 0.74531 0.62313 0.59593 0.01006  0.00110  -0.01671 761 THR A O   
925  C CB  . THR A 166 ? 0.69702 0.60914 0.63984 0.06436  -0.00132 -0.05620 761 THR A CB  
926  O OG1 . THR A 166 ? 0.68512 0.60138 0.63203 0.08573  -0.01024 -0.07319 761 THR A OG1 
927  C CG2 . THR A 166 ? 0.72251 0.60638 0.65168 0.06771  0.00030  -0.07358 761 THR A CG2 
928  N N   . THR A 167 ? 0.75193 0.69087 0.67095 0.01411  0.01022  0.00424  762 THR A N   
929  C CA  . THR A 167 ? 0.73004 0.67443 0.63750 -0.00182 0.01702  0.02064  762 THR A CA  
930  C C   . THR A 167 ? 0.72279 0.66468 0.57874 -0.02561 0.00873  0.03363  762 THR A C   
931  O O   . THR A 167 ? 0.72971 0.65975 0.55736 -0.03951 0.01014  0.03523  762 THR A O   
932  C CB  . THR A 167 ? 0.70888 0.68851 0.65780 0.00244  0.02927  0.03897  762 THR A CB  
933  O OG1 . THR A 167 ? 0.68442 0.69388 0.63532 -0.00225 0.02375  0.05592  762 THR A OG1 
934  C CG2 . THR A 167 ? 0.69100 0.67113 0.69557 0.02334  0.04282  0.02284  762 THR A CG2 
935  N N   . ASP A 168 ? 0.77339 0.72694 0.61793 -0.03176 0.00162  0.04060  763 ASP A N   
936  C CA  . ASP A 168 ? 0.76860 0.71617 0.56588 -0.05605 -0.00333 0.04647  763 ASP A CA  
937  C C   . ASP A 168 ? 0.78376 0.68310 0.53910 -0.06142 -0.00386 0.03091  763 ASP A C   
938  O O   . ASP A 168 ? 0.76805 0.65966 0.48814 -0.08401 -0.00263 0.03290  763 ASP A O   
939  C CB  . ASP A 168 ? 0.75081 0.70799 0.54268 -0.05930 -0.00822 0.05073  763 ASP A CB  
940  C CG  . ASP A 168 ? 0.74780 0.75439 0.57890 -0.05577 -0.00766 0.06701  763 ASP A CG  
941  O OD1 . ASP A 168 ? 0.75005 0.78326 0.60562 -0.05264 -0.00253 0.07813  763 ASP A OD1 
942  O OD2 . ASP A 168 ? 0.73356 0.75084 0.56986 -0.05458 -0.01091 0.06948  763 ASP A OD2 
943  N N   . LEU A 169 ? 0.77977 0.64868 0.53915 -0.03998 -0.00513 0.01370  764 LEU A N   
944  C CA  . LEU A 169 ? 0.80734 0.62823 0.52556 -0.04026 -0.00521 -0.00069 764 LEU A CA  
945  C C   . LEU A 169 ? 0.79688 0.60980 0.51199 -0.04838 -0.00033 -0.00437 764 LEU A C   
946  O O   . LEU A 169 ? 0.80605 0.59184 0.48057 -0.06502 0.00188  -0.00723 764 LEU A O   
947  C CB  . LEU A 169 ? 0.80035 0.59875 0.52509 -0.01014 -0.00935 -0.01912 764 LEU A CB  
948  C CG  . LEU A 169 ? 0.82359 0.59296 0.50930 -0.00329 -0.01246 -0.02123 764 LEU A CG  
949  C CD1 . LEU A 169 ? 0.78803 0.58092 0.47303 -0.01804 -0.01233 -0.00447 764 LEU A CD1 
950  C CD2 . LEU A 169 ? 0.82661 0.59147 0.52978 0.03213  -0.01844 -0.03970 764 LEU A CD2 
951  N N   . ILE A 170 ? 0.93512 0.76891 0.69287 -0.03694 0.00385  -0.00536 765 ILE A N   
952  C CA  . ILE A 170 ? 0.94848 0.77480 0.70398 -0.04374 0.01043  -0.00796 765 ILE A CA  
953  C C   . ILE A 170 ? 0.91757 0.76228 0.64724 -0.07065 0.01178  0.00901  765 ILE A C   
954  O O   . ILE A 170 ? 0.93382 0.76080 0.63497 -0.08463 0.01430  0.00452  765 ILE A O   
955  C CB  . ILE A 170 ? 0.95375 0.79847 0.76216 -0.02653 0.01939  -0.01101 765 ILE A CB  
956  C CG1 . ILE A 170 ? 0.96983 0.80502 0.80738 -0.00098 0.01728  -0.03352 765 ILE A CG1 
957  C CG2 . ILE A 170 ? 0.96786 0.80062 0.77313 -0.03202 0.02858  -0.01454 765 ILE A CG2 
958  C CD1 . ILE A 170 ? 0.98344 0.77930 0.78732 0.00669  0.00993  -0.05402 765 ILE A CD1 
959  N N   . VAL A 171 ? 0.84156 0.72528 0.58100 -0.07791 0.00974  0.02661  766 VAL A N   
960  C CA  . VAL A 171 ? 0.83796 0.74904 0.55371 -0.10227 0.00907  0.03929  766 VAL A CA  
961  C C   . VAL A 171 ? 0.84387 0.72546 0.51143 -0.12485 0.00744  0.02828  766 VAL A C   
962  O O   . VAL A 171 ? 0.85594 0.73970 0.49883 -0.14420 0.00991  0.02620  766 VAL A O   
963  C CB  . VAL A 171 ? 0.80516 0.76467 0.54047 -0.10346 0.00585  0.05701  766 VAL A CB  
964  C CG1 . VAL A 171 ? 0.79938 0.79253 0.50834 -0.12906 0.00305  0.06437  766 VAL A CG1 
965  C CG2 . VAL A 171 ? 0.79033 0.77674 0.57010 -0.08252 0.01233  0.07012  766 VAL A CG2 
966  N N   . ARG A 172 ? 0.79127 0.64388 0.44381 -0.12228 0.00542  0.02074  767 ARG A N   
967  C CA  . ARG A 172 ? 0.81249 0.62827 0.41803 -0.14229 0.00926  0.01069  767 ARG A CA  
968  C C   . ARG A 172 ? 0.84167 0.61482 0.42574 -0.14107 0.01370  -0.00309 767 ARG A C   
969  O O   . ARG A 172 ? 0.86818 0.62279 0.41743 -0.16423 0.01977  -0.00981 767 ARG A O   
970  C CB  . ARG A 172 ? 0.82095 0.60837 0.41213 -0.13432 0.00934  0.00775  767 ARG A CB  
971  C CG  . ARG A 172 ? 0.80681 0.63277 0.40811 -0.14584 0.00753  0.01929  767 ARG A CG  
972  C CD  . ARG A 172 ? 0.80858 0.61803 0.41254 -0.12720 0.00578  0.01986  767 ARG A CD  
973  N NE  . ARG A 172 ? 0.84171 0.59322 0.39884 -0.12951 0.01407  0.01095  767 ARG A NE  
974  C CZ  . ARG A 172 ? 0.85353 0.58185 0.39790 -0.11547 0.01570  0.01137  767 ARG A CZ  
975  N NH1 . ARG A 172 ? 0.83257 0.59287 0.40984 -0.09974 0.00815  0.01816  767 ARG A NH1 
976  N NH2 . ARG A 172 ? 0.90103 0.57110 0.39675 -0.11637 0.02695  0.00529  767 ARG A NH2 
977  N N   . ILE A 173 ? 0.80056 0.56015 0.40729 -0.11568 0.01210  -0.00964 768 ILE A N   
978  C CA  . ILE A 173 ? 0.82041 0.54448 0.41055 -0.11436 0.01624  -0.02335 768 ILE A CA  
979  C C   . ILE A 173 ? 0.82329 0.57087 0.40934 -0.13593 0.02015  -0.01860 768 ILE A C   
980  O O   . ILE A 173 ? 0.85396 0.57727 0.40726 -0.15355 0.02516  -0.02740 768 ILE A O   
981  C CB  . ILE A 173 ? 0.80017 0.51450 0.42294 -0.08342 0.01439  -0.03445 768 ILE A CB  
982  C CG1 . ILE A 173 ? 0.80353 0.49538 0.42421 -0.05935 0.00926  -0.04333 768 ILE A CG1 
983  C CG2 . ILE A 173 ? 0.81604 0.50238 0.42791 -0.08399 0.01936  -0.04828 768 ILE A CG2 
984  C CD1 . ILE A 173 ? 0.79533 0.48217 0.44800 -0.02906 0.00691  -0.06101 768 ILE A CD1 
985  N N   . LEU A 174 ? 0.90782 0.70296 0.52563 -0.13327 0.01911  -0.00446 769 LEU A N   
986  C CA  . LEU A 174 ? 0.91511 0.73531 0.52823 -0.14720 0.02289  0.00130  769 LEU A CA  
987  C C   . LEU A 174 ? 0.91826 0.75859 0.49859 -0.17801 0.02209  0.00220  769 LEU A C   
988  O O   . LEU A 174 ? 0.92922 0.77754 0.49163 -0.19363 0.02534  -0.00147 769 LEU A O   
989  C CB  . LEU A 174 ? 0.87540 0.73908 0.52681 -0.13240 0.02457  0.01885  769 LEU A CB  
990  C CG  . LEU A 174 ? 0.88442 0.72989 0.57333 -0.10531 0.02997  0.01345  769 LEU A CG  
991  C CD1 . LEU A 174 ? 0.86648 0.75049 0.59383 -0.09095 0.03570  0.03199  769 LEU A CD1 
992  C CD2 . LEU A 174 ? 0.90301 0.71749 0.58493 -0.10404 0.03715  -0.00035 769 LEU A CD2 
993  N N   . LYS A 175 ? 0.94242 0.79262 0.51557 -0.18798 0.01899  0.00446  770 LYS A N   
994  C CA  . LYS A 175 ? 0.94973 0.82303 0.49668 -0.21954 0.02050  0.00036  770 LYS A CA  
995  C C   . LYS A 175 ? 0.98749 0.81348 0.49513 -0.24054 0.02942  -0.01895 770 LYS A C   
996  O O   . LYS A 175 ? 0.99874 0.84262 0.48587 -0.27011 0.03385  -0.02744 770 LYS A O   
997  C CB  . LYS A 175 ? 0.93272 0.82569 0.48401 -0.22601 0.01787  0.00526  770 LYS A CB  
998  N N   . ASN A 176 ? 1.05062 0.81945 0.54839 -0.22649 0.03336  -0.02804 771 ASN A N   
999  C CA  . ASN A 176 ? 1.07265 0.79657 0.53346 -0.24488 0.04362  -0.04513 771 ASN A CA  
1000 C C   . ASN A 176 ? 1.07649 0.81964 0.53386 -0.25688 0.04511  -0.04992 771 ASN A C   
1001 O O   . ASN A 176 ? 1.07820 0.79477 0.50623 -0.27791 0.05439  -0.06513 771 ASN A O   
1002 C CB  . ASN A 176 ? 1.08437 0.74138 0.53303 -0.22245 0.04708  -0.05352 771 ASN A CB  
1003 C CG  . ASN A 176 ? 1.10201 0.73803 0.55098 -0.20450 0.04528  -0.04887 771 ASN A CG  
1004 O OD1 . ASN A 176 ? 1.10329 0.72651 0.52947 -0.22036 0.05267  -0.04955 771 ASN A OD1 
1005 N ND2 . ASN A 176 ? 1.07793 0.70989 0.55293 -0.17123 0.03711  -0.04625 771 ASN A ND2 
1006 N N   . TYR A 177 ? 1.03571 0.82165 0.52119 -0.24309 0.03837  -0.03714 772 TYR A N   
1007 C CA  . TYR A 177 ? 1.03418 0.84005 0.51666 -0.24908 0.04032  -0.03845 772 TYR A CA  
1008 C C   . TYR A 177 ? 1.02214 0.89871 0.50600 -0.26454 0.03579  -0.02986 772 TYR A C   
1009 O O   . TYR A 177 ? 1.00296 0.92292 0.51190 -0.24776 0.03001  -0.01124 772 TYR A O   
1010 C CB  . TYR A 177 ? 1.02834 0.82621 0.53883 -0.21980 0.04020  -0.03057 772 TYR A CB  
1011 C CG  . TYR A 177 ? 1.03645 0.77293 0.54646 -0.20427 0.04296  -0.04373 772 TYR A CG  
1012 C CD1 . TYR A 177 ? 1.03362 0.75331 0.55872 -0.18516 0.03876  -0.04217 772 TYR A CD1 
1013 C CD2 . TYR A 177 ? 1.04426 0.74154 0.53636 -0.20808 0.04934  -0.05925 772 TYR A CD2 
1014 C CE1 . TYR A 177 ? 1.03662 0.70633 0.55893 -0.16737 0.03979  -0.05566 772 TYR A CE1 
1015 C CE2 . TYR A 177 ? 1.04431 0.68872 0.53460 -0.19071 0.05087  -0.07254 772 TYR A CE2 
1016 C CZ  . TYR A 177 ? 1.03965 0.67241 0.54448 -0.16931 0.04554  -0.07075 772 TYR A CZ  
1017 O OH  . TYR A 177 ? 1.03469 0.62183 0.53648 -0.14788 0.04551  -0.08495 772 TYR A OH  
1018 N N   . GLU A 178 ? 1.08532 0.97458 0.54268 -0.29589 0.03954  -0.04511 773 GLU A N   
1019 C CA  . GLU A 178 ? 1.07347 1.03740 0.53112 -0.31106 0.03422  -0.04252 773 GLU A CA  
1020 C C   . GLU A 178 ? 1.06492 1.06738 0.53197 -0.29305 0.03041  -0.02774 773 GLU A C   
1021 O O   . GLU A 178 ? 1.07377 1.04226 0.53813 -0.28238 0.03559  -0.02825 773 GLU A O   
1022 C CB  . GLU A 178 ? 1.08265 1.05285 0.51226 -0.34934 0.04159  -0.06804 773 GLU A CB  
1023 N N   . ASP A 179 ? 0.99559 1.06824 0.47362 -0.28697 0.02263  -0.01348 774 ASP A N   
1024 C CA  . ASP A 179 ? 0.98855 1.09495 0.47222 -0.26467 0.02183  0.00491  774 ASP A CA  
1025 C C   . ASP A 179 ? 1.00293 1.11957 0.45968 -0.27915 0.02556  -0.00834 774 ASP A C   
1026 O O   . ASP A 179 ? 1.00486 1.12518 0.46100 -0.25992 0.02958  0.00478  774 ASP A O   
1027 C CB  . ASP A 179 ? 0.96543 1.14597 0.46267 -0.25166 0.01320  0.02413  774 ASP A CB  
1028 C CG  . ASP A 179 ? 0.94747 1.11514 0.47618 -0.22959 0.01171  0.04228  774 ASP A CG  
1029 O OD1 . ASP A 179 ? 0.95213 1.05734 0.49178 -0.22537 0.01606  0.03770  774 ASP A OD1 
1030 O OD2 . ASP A 179 ? 0.92817 1.15110 0.47049 -0.21484 0.00616  0.06049  774 ASP A OD2 
1031 N N   . TYR A 180 ? 1.14036 1.25878 0.57513 -0.31273 0.02689  -0.03483 775 TYR A N   
1032 C CA  . TYR A 180 ? 1.15160 1.28000 0.56161 -0.32819 0.03111  -0.05044 775 TYR A CA  
1033 C C   . TYR A 180 ? 1.16566 1.23678 0.55739 -0.35828 0.04096  -0.07928 775 TYR A C   
1034 O O   . TYR A 180 ? 1.17865 1.21963 0.55489 -0.36359 0.04812  -0.08965 775 TYR A O   
1035 C CB  . TYR A 180 ? 1.14173 1.36219 0.54124 -0.33932 0.02303  -0.05597 775 TYR A CB  
1036 C CG  . TYR A 180 ? 1.12589 1.40786 0.53774 -0.30683 0.01425  -0.02634 775 TYR A CG  
1037 C CD1 . TYR A 180 ? 1.10690 1.41089 0.54149 -0.29445 0.00748  -0.01115 775 TYR A CD1 
1038 C CD2 . TYR A 180 ? 1.13090 1.44861 0.52924 -0.28742 0.01436  -0.01302 775 TYR A CD2 
1039 C CE1 . TYR A 180 ? 1.09170 1.44914 0.53685 -0.26306 0.00148  0.01683  775 TYR A CE1 
1040 C CE2 . TYR A 180 ? 1.11842 1.48865 0.52410 -0.25402 0.00938  0.01664  775 TYR A CE2 
1041 C CZ  . TYR A 180 ? 1.09834 1.48763 0.52819 -0.24187 0.00308  0.03149  775 TYR A CZ  
1042 O OH  . TYR A 180 ? 1.08574 1.52427 0.52270 -0.20725 -0.00004 0.06172  775 TYR A OH  
1043 O OXT . TYR A 180 ? 1.16602 1.21815 0.55713 -0.37678 0.04389  -0.09196 775 TYR A OXT 
# 
