data_9HSP
# 
_entry.id   9HSP 
# 
_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   9HSP         pdb_00009hsp 10.2210/pdb9hsp/pdb 
WWPDB D_1292144117 ?            ?                   
# 
_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                        9HSP 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with oxazol-4-yl-methylamine
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'choline-phosphate cytidylyltransferase' 20646.949 1  2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn 1,3-oxazol-4-ylmethanamine               98.103    2  ?        ? ? ?                                            
3 water       nat water                                    18.015    47 ?        ? ? ?                                            
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,3-oxazol-4-ylmethanamine 9OI 
3 water                      HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
9OI non-polymer         . 1,3-oxazol-4-ylmethanamine ? 'C4 H6 N2 O'     98.103  
ALA 'L-peptide linking' y ALANINE                    ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                   ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                 ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'            ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                   ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                  ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'            ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                    ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                  ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                      ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                 ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                    ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                     ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                 ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE              ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                    ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                     ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                  ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                 ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                   ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                     ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 729 ?   ?   ?   A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 773 GLU GLU A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        9OI 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   9OI 
_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 9OI 1  801 801 9OI LIG A . 
C 2 9OI 1  802 802 9OI LIG A . 
D 3 HOH 1  901 38  HOH HOH A . 
D 3 HOH 2  902 35  HOH HOH A . 
D 3 HOH 3  903 41  HOH HOH A . 
D 3 HOH 4  904 1   HOH HOH A . 
D 3 HOH 5  905 42  HOH HOH A . 
D 3 HOH 6  906 20  HOH HOH A . 
D 3 HOH 7  907 15  HOH HOH A . 
D 3 HOH 8  908 10  HOH HOH A . 
D 3 HOH 9  909 5   HOH HOH A . 
D 3 HOH 10 910 13  HOH HOH A . 
D 3 HOH 11 911 34  HOH HOH A . 
D 3 HOH 12 912 29  HOH HOH A . 
D 3 HOH 13 913 37  HOH HOH A . 
D 3 HOH 14 914 23  HOH HOH A . 
D 3 HOH 15 915 14  HOH HOH A . 
D 3 HOH 16 916 4   HOH HOH A . 
D 3 HOH 17 917 17  HOH HOH A . 
D 3 HOH 18 918 8   HOH HOH A . 
D 3 HOH 19 919 30  HOH HOH A . 
D 3 HOH 20 920 44  HOH HOH A . 
D 3 HOH 21 921 9   HOH HOH A . 
D 3 HOH 22 922 27  HOH HOH A . 
D 3 HOH 23 923 6   HOH HOH A . 
D 3 HOH 24 924 32  HOH HOH A . 
D 3 HOH 25 925 16  HOH HOH A . 
D 3 HOH 26 926 24  HOH HOH A . 
D 3 HOH 27 927 39  HOH HOH A . 
D 3 HOH 28 928 43  HOH HOH A . 
D 3 HOH 29 929 18  HOH HOH A . 
D 3 HOH 30 930 3   HOH HOH A . 
D 3 HOH 31 931 12  HOH HOH A . 
D 3 HOH 32 932 47  HOH HOH A . 
D 3 HOH 33 933 22  HOH HOH A . 
D 3 HOH 34 934 21  HOH HOH A . 
D 3 HOH 35 935 19  HOH HOH A . 
D 3 HOH 36 936 26  HOH HOH A . 
D 3 HOH 37 937 7   HOH HOH A . 
D 3 HOH 38 938 45  HOH HOH A . 
D 3 HOH 39 939 11  HOH HOH A . 
D 3 HOH 40 940 40  HOH HOH A . 
D 3 HOH 41 941 31  HOH HOH A . 
D 3 HOH 42 942 36  HOH HOH A . 
D 3 HOH 43 943 25  HOH HOH A . 
D 3 HOH 44 944 33  HOH HOH A . 
D 3 HOH 45 945 28  HOH HOH A . 
D 3 HOH 46 946 2   HOH HOH A . 
D 3 HOH 47 947 46  HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 660 ? CG  ? A LYS 83  CG  
2  1 Y 1 A LYS 660 ? CD  ? A LYS 83  CD  
3  1 Y 1 A LYS 660 ? CE  ? A LYS 83  CE  
4  1 Y 1 A LYS 660 ? NZ  ? A LYS 83  NZ  
5  1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
6  1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
7  1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
8  1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
9  1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
10 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
11 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
12 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
# 
_software.citation_id            ? 
_software.classification         refinement 
_software.compiler_name          ? 
_software.compiler_version       ? 
_software.contact_author         ? 
_software.contact_author_email   ? 
_software.date                   ? 
_software.description            ? 
_software.dependencies           ? 
_software.hardware               ? 
_software.language               ? 
_software.location               ? 
_software.mods                   ? 
_software.name                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.370 
_cell.length_a_esd                 ? 
_cell.length_b                     69.328 
_cell.length_b_esd                 ? 
_cell.length_c                     118.385 
_cell.length_c_esd                 ? 
_cell.volume                       413406.500 
_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                         9HSP 
_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                   9HSP 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.50 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.86 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-04-07 
_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   0.9677 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9677 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-3 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          45.52 
_reflns.entry_id                                       9HSP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.088 
_reflns.d_resolution_low                               59.825 
_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                                     23632 
_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                           88.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.4 
_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                                0.137 
_reflns.pdbx_Rpim_I_all                                0.052 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.126 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.088 
_reflns_shell.d_res_low                                     2.210 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           3831 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             558 
_reflns_shell.percent_possible_obs                          28.9 
_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                               6.9 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.3 
_reflns_shell.pdbx_Rrim_I_all                               1.451 
_reflns_shell.pdbx_Rpim_I_all                               0.546 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.342 
_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                               58.07 
_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                                 9HSP 
_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                            2.09 
_refine.ls_d_res_low                             59.82 
_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                     23632 
_refine.ls_number_reflns_R_free                  1133 
_refine.ls_number_reflns_R_work                  22499 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.90 
_refine.ls_percent_reflns_R_free                 4.79 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2061 
_refine.ls_R_factor_R_free                       0.2373 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2045 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 29.5782 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2966 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.09 
_refine_hist.d_res_low                        59.82 
_refine_hist.number_atoms_solvent             47 
_refine_hist.number_atoms_total               1117 
_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        1056 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         14 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0086  ? 1091 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8849  ? 1476 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0543  ? 170  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0054  ? 182  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 22.7340 ? 143  ? 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' 2.09 2.19  . . 149 2774 100.00 . . . . 0.3171 . . . . . . . . . . . 0.3618 
'X-RAY DIFFRACTION' 2.19 2.30  . . 139 2833 100.00 . . . . 0.2750 . . . . . . . . . . . 0.3055 
'X-RAY DIFFRACTION' 2.30 2.45  . . 123 2847 99.93  . . . . 0.2893 . . . . . . . . . . . 0.2964 
'X-RAY DIFFRACTION' 2.45 2.64  . . 130 2803 99.97  . . . . 0.2577 . . . . . . . . . . . 0.2825 
'X-RAY DIFFRACTION' 2.64 2.90  . . 136 2829 99.97  . . . . 0.2475 . . . . . . . . . . . 0.2923 
'X-RAY DIFFRACTION' 2.90 3.32  . . 177 2789 99.93  . . . . 0.2243 . . . . . . . . . . . 0.2558 
'X-RAY DIFFRACTION' 3.32 4.18  . . 136 2794 99.49  . . . . 0.1764 . . . . . . . . . . . 0.2137 
'X-RAY DIFFRACTION' 4.18 59.82 . . 143 2830 99.97  . . . . 0.1635 . . . . . . . . . . . 0.1941 
# 
_struct.entry_id                     9HSP 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with oxazol-4-yl-methylamine
;
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9HSP 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSP 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSP GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSP HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSP MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSP ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSP ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSP ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSP ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSP ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSP ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSP ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSP ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSP ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSP ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSP ?   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)' 2000  ? 
1 MORE         -6    ? 
1 'SSA (A^2)'  14260 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -69.3280000000 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 ? TYR A 177 ? SER A 760 TYR A 772 1 ? 13 
# 
_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       2.07 
# 
_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                   9HSP 
_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_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    920 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    940 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.04 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    NE2 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    GLN 
_pdbx_validate_symm_contact.auth_seq_id_1     665 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    ASN 
_pdbx_validate_symm_contact.auth_seq_id_2     771 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_545 
_pdbx_validate_symm_contact.dist              2.19 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 GLN A 665 ? ? 50.12  132.26 
2 1 TYR A 772 ? ? -91.96 32.63  
# 
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 -6.74527426456 -26.3338304203 -24.1072679803 0.32622428981  ? 0.0103830828897    ? 0.0665348814182 
? 0.354233669373 ? -0.0297464815083 ? 0.367777137615 ? 5.15982071516 ? -0.108041377786  ? 0.201269723996  ? 7.58265253395 ? 
-1.38806899257  ? 4.36635384536 ? 0.0575146626001  ? -0.171122899176 ? 0.0263196305244 ? 0.227470615061   ? -0.0946043031915  ? 
0.124160656045  ? -0.101347416844 ? -0.111650755034  ? -0.0170467759385 ? 
2 'X-RAY DIFFRACTION' ? refined -7.76680262749 -24.75797246   -32.6690109304 0.411980491337 ? -0.00592856552541  ? 
0.00315887328251 ? 0.3606190477   ? -0.0323123748007 ? 0.364470722159 ? 5.99205810682 ? -0.368756088722  ? 0.0328708343811 ? 
5.30201354825 ? -1.72305491099  ? 2.6810750062  ? 0.0478389062148  ? 0.90830543159   ? -0.165009469437 ? -0.854851291149  ? 
0.0633594515068   ? 0.507546764073  ? 0.0812125995138 ? 0.0180598173874  ? -0.0120656433188 ? 
3 'X-RAY DIFFRACTION' ? refined 3.01831483194  -21.010315127  -14.6721687672 0.372071480913 ? 0.00107498861183   ? 
-0.0482875849412 ? 0.449099877072 ? -0.0720002363405 ? 0.334665762366 ? 7.43703786147 ? -0.10063764182   ? 1.28714750283   ? 
9.13950180427 ? -1.36446773746  ? 5.2764926934  ? -0.451239414377  ? -0.992386442626 ? 0.655091388357  ? 0.957983519798   ? 
0.314717184845    ? -0.268780227775 ? -0.534196267812 ? 0.361353357739   ? 0.195794616156   ? 
4 'X-RAY DIFFRACTION' ? refined -1.45688960446 -20.5322103569 -25.4620577022 0.349116365252 ? -0.000428375892793 ? 0.0304624366421 
? 0.389675034308 ? 0.0231067601418  ? 0.356916747219 ? 5.14121456285 ? -0.0591029937561 ? 0.74157339002   ? 5.27452428363 ? 
-1.25651889832  ? 3.02314627372 ? -0.0588670447595 ? 0.0468811601513 ? 0.229644645608  ? -0.240134124623  ? -0.00981767942728 ? 
0.153112375452  ? -0.274532350982 ? 0.054052889522   ? 0.160592853247   ? 
5 'X-RAY DIFFRACTION' ? refined -6.74080519115 -12.7506533856 -31.1124278133 0.544155542439 ? 0.0419361256125    ? -0.019498424432 
? 0.409002569415 ? 0.030689820175   ? 0.506190760537 ? 5.2528057501  ? 0.586394850826   ? 4.2807688257    ? 4.92675822625 ? 
4.01475491777   ? 6.0843391212  ? -0.217966664307  ? 0.0145869631007 ? 1.01303942707   ? 0.0319231452536  ? 0.0195806921592   ? 
0.160087596501  ? -0.407110379617 ? -0.0266098326586 ? -0.0592439593611 ? 
6 'X-RAY DIFFRACTION' ? refined -16.3107180495 -12.9378662033 -25.3169342426 0.579668028403 ? -0.00583141672447  ? 
-0.0049338383917 ? 0.527898540563 ? -0.0858323641123 ? 0.583361084396 ? 4.37055434073 ? 0.449487303848   ? -3.32087275216  ? 
5.78062114023 ? 3.62168360598   ? 8.30766530866 ? 0.0557157529854  ? -0.881557515165 ? 0.637768013507  ? 1.9602217522     ? 
-0.0774500053404  ? -0.144221717357 ? -0.723113035635 ? 0.195645586005   ? 0.355429424971   ? 
7 'X-RAY DIFFRACTION' ? refined -13.2192868697 -30.0526501424 -16.0793987295 1.14493006613  ? -0.0774002014359   ? 0.332952717347 
? 0.943955539032 ? -0.0325977282145 ? 0.845342973675 ? 8.82152797787 ? -2.9079559061    ? 3.37457664321   ? 5.31364049925 ? 
-5.17599989626  ? 5.08551162355 ? -0.329851898923  ? -2.19156152056  ? -0.500991870028 ? 0.0347299089832  ? 0.305807434402    ? 
-0.880755804903 ? 0.635759836577  ? -1.55310599796   ? 0.350943787323   ? 
8 'X-RAY DIFFRACTION' ? refined -5.31144068226 -39.9914981247 -1.63265125577 0.836637765042 ? -0.114631146486    ? 0.100763858102 
? 0.791648528424 ? -0.178790545524  ? 0.632515145677 ? 8.51932112272 ? -0.103539030367  ? 2.16699233981   ? 3.9107774809  ? 
-0.087176189628 ? 7.50024571748 ? -0.480979843407  ? -0.790561446472 ? -0.224751160145 ? -0.0700472331952 ? 0.468975506743    ? 
0.156870423259  ? 1.88399355384   ? -2.22699844438   ? 0.640349220933   ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 26  A 641 ? ? 
;chain 'A' and (resid 616 through 641 )
;
2 'X-RAY DIFFRACTION' 2 A 27  A 642 ? A 38  A 653 ? ? 
;chain 'A' and (resid 642 through 653 )
;
3 'X-RAY DIFFRACTION' 3 A 39  A 654 ? A 64  A 679 ? ? 
;chain 'A' and (resid 654 through 679 )
;
4 'X-RAY DIFFRACTION' 4 A 65  A 680 ? A 80  A 695 ? ? 
;chain 'A' and (resid 680 through 695 )
;
5 'X-RAY DIFFRACTION' 5 A 81  A 696 ? A 94  A 709 ? ? 
;chain 'A' and (resid 696 through 709 )
;
6 'X-RAY DIFFRACTION' 6 A 95  A 710 ? A 109 A 752 ? ? 
;chain 'A' and (resid 710 through 752 )
;
7 'X-RAY DIFFRACTION' 7 A 110 A 753 ? A 117 A 760 ? ? 
;chain 'A' and (resid 753 through 760 )
;
8 'X-RAY DIFFRACTION' 8 A 118 A 761 ? A 130 A 773 ? ? 
;chain 'A' and (resid 761 through 773 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ASP 729 ? A ASP 134 
40 1 Y 1 A ILE 730 ? A ILE 135 
41 1 Y 1 A PRO 731 ? A PRO 136 
42 1 Y 1 A TYR 732 ? A TYR 137 
43 1 Y 1 A ALA 733 ? A ALA 138 
44 1 Y 1 A ASN 734 ? A ASN 139 
45 1 Y 1 A ASN 735 ? A ASN 140 
46 1 Y 1 A GLN 736 ? A GLN 141 
47 1 Y 1 A LYS 737 ? A LYS 142 
48 1 Y 1 A GLU 738 ? A GLU 143 
49 1 Y 1 A ASP 774 ? A ASP 179 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
9OI C02  C N N 1   
9OI C03  C Y N 2   
9OI C04  C Y N 3   
9OI C06  C Y N 4   
9OI N01  N N N 5   
9OI N07  N Y N 6   
9OI O05  O Y N 7   
9OI H021 H N N 8   
9OI H022 H N N 9   
9OI H041 H N N 10  
9OI H061 H N N 11  
9OI H011 H N N 12  
9OI H012 H N N 13  
ALA N    N N N 14  
ALA CA   C N S 15  
ALA C    C N N 16  
ALA O    O N N 17  
ALA CB   C N N 18  
ALA OXT  O N N 19  
ALA H    H N N 20  
ALA H2   H N N 21  
ALA HA   H N N 22  
ALA HB1  H N N 23  
ALA HB2  H N N 24  
ALA HB3  H N N 25  
ALA HXT  H N N 26  
ARG N    N N N 27  
ARG CA   C N S 28  
ARG C    C N N 29  
ARG O    O N N 30  
ARG CB   C N N 31  
ARG CG   C N N 32  
ARG CD   C N N 33  
ARG NE   N N N 34  
ARG CZ   C N N 35  
ARG NH1  N N N 36  
ARG NH2  N N N 37  
ARG OXT  O N N 38  
ARG H    H N N 39  
ARG H2   H N N 40  
ARG HA   H N N 41  
ARG HB2  H N N 42  
ARG HB3  H N N 43  
ARG HG2  H N N 44  
ARG HG3  H N N 45  
ARG HD2  H N N 46  
ARG HD3  H N N 47  
ARG HE   H N N 48  
ARG HH11 H N N 49  
ARG HH12 H N N 50  
ARG HH21 H N N 51  
ARG HH22 H N N 52  
ARG HXT  H N N 53  
ASN N    N N N 54  
ASN CA   C N S 55  
ASN C    C N N 56  
ASN O    O N N 57  
ASN CB   C N N 58  
ASN CG   C N N 59  
ASN OD1  O N N 60  
ASN ND2  N N N 61  
ASN OXT  O N N 62  
ASN H    H N N 63  
ASN H2   H N N 64  
ASN HA   H N N 65  
ASN HB2  H N N 66  
ASN HB3  H N N 67  
ASN HD21 H N N 68  
ASN HD22 H N N 69  
ASN HXT  H N N 70  
ASP N    N N N 71  
ASP CA   C N S 72  
ASP C    C N N 73  
ASP O    O N N 74  
ASP CB   C N N 75  
ASP CG   C N N 76  
ASP OD1  O N N 77  
ASP OD2  O N N 78  
ASP OXT  O N N 79  
ASP H    H N N 80  
ASP H2   H N N 81  
ASP HA   H N N 82  
ASP HB2  H N N 83  
ASP HB3  H N N 84  
ASP HD2  H N N 85  
ASP HXT  H N N 86  
CYS N    N N N 87  
CYS CA   C N R 88  
CYS C    C N N 89  
CYS O    O N N 90  
CYS CB   C N N 91  
CYS SG   S N N 92  
CYS OXT  O N N 93  
CYS H    H N N 94  
CYS H2   H N N 95  
CYS HA   H N N 96  
CYS HB2  H N N 97  
CYS HB3  H N N 98  
CYS HG   H N N 99  
CYS HXT  H N N 100 
GLN N    N N N 101 
GLN CA   C N S 102 
GLN C    C N N 103 
GLN O    O N N 104 
GLN CB   C N N 105 
GLN CG   C N N 106 
GLN CD   C N N 107 
GLN OE1  O N N 108 
GLN NE2  N N N 109 
GLN OXT  O N N 110 
GLN H    H N N 111 
GLN H2   H N N 112 
GLN HA   H N N 113 
GLN HB2  H N N 114 
GLN HB3  H N N 115 
GLN HG2  H N N 116 
GLN HG3  H N N 117 
GLN HE21 H N N 118 
GLN HE22 H N N 119 
GLN HXT  H N N 120 
GLU N    N N N 121 
GLU CA   C N S 122 
GLU C    C N N 123 
GLU O    O N N 124 
GLU CB   C N N 125 
GLU CG   C N N 126 
GLU CD   C N N 127 
GLU OE1  O N N 128 
GLU OE2  O N N 129 
GLU OXT  O N N 130 
GLU H    H N N 131 
GLU H2   H N N 132 
GLU HA   H N N 133 
GLU HB2  H N N 134 
GLU HB3  H N N 135 
GLU HG2  H N N 136 
GLU HG3  H N N 137 
GLU HE2  H N N 138 
GLU HXT  H N N 139 
GLY N    N N N 140 
GLY CA   C N N 141 
GLY C    C N N 142 
GLY O    O N N 143 
GLY OXT  O N N 144 
GLY H    H N N 145 
GLY H2   H N N 146 
GLY HA2  H N N 147 
GLY HA3  H N N 148 
GLY HXT  H N N 149 
HIS N    N N N 150 
HIS CA   C N S 151 
HIS C    C N N 152 
HIS O    O N N 153 
HIS CB   C N N 154 
HIS CG   C Y N 155 
HIS ND1  N Y N 156 
HIS CD2  C Y N 157 
HIS CE1  C Y N 158 
HIS NE2  N Y N 159 
HIS OXT  O N N 160 
HIS H    H N N 161 
HIS H2   H N N 162 
HIS HA   H N N 163 
HIS HB2  H N N 164 
HIS HB3  H N N 165 
HIS HD1  H N N 166 
HIS HD2  H N N 167 
HIS HE1  H N N 168 
HIS HE2  H N N 169 
HIS HXT  H N N 170 
HOH O    O N N 171 
HOH H1   H N N 172 
HOH H2   H N N 173 
ILE N    N N N 174 
ILE CA   C N S 175 
ILE C    C N N 176 
ILE O    O N N 177 
ILE CB   C N S 178 
ILE CG1  C N N 179 
ILE CG2  C N N 180 
ILE CD1  C N N 181 
ILE OXT  O N N 182 
ILE H    H N N 183 
ILE H2   H N N 184 
ILE HA   H N N 185 
ILE HB   H N N 186 
ILE HG12 H N N 187 
ILE HG13 H N N 188 
ILE HG21 H N N 189 
ILE HG22 H N N 190 
ILE HG23 H N N 191 
ILE HD11 H N N 192 
ILE HD12 H N N 193 
ILE HD13 H N N 194 
ILE HXT  H N N 195 
LEU N    N N N 196 
LEU CA   C N S 197 
LEU C    C N N 198 
LEU O    O N N 199 
LEU CB   C N N 200 
LEU CG   C N N 201 
LEU CD1  C N N 202 
LEU CD2  C N N 203 
LEU OXT  O N N 204 
LEU H    H N N 205 
LEU H2   H N N 206 
LEU HA   H N N 207 
LEU HB2  H N N 208 
LEU HB3  H N N 209 
LEU HG   H N N 210 
LEU HD11 H N N 211 
LEU HD12 H N N 212 
LEU HD13 H N N 213 
LEU HD21 H N N 214 
LEU HD22 H N N 215 
LEU HD23 H N N 216 
LEU HXT  H N N 217 
LYS N    N N N 218 
LYS CA   C N S 219 
LYS C    C N N 220 
LYS O    O N N 221 
LYS CB   C N N 222 
LYS CG   C N N 223 
LYS CD   C N N 224 
LYS CE   C N N 225 
LYS NZ   N N N 226 
LYS OXT  O N N 227 
LYS H    H N N 228 
LYS H2   H N N 229 
LYS HA   H N N 230 
LYS HB2  H N N 231 
LYS HB3  H N N 232 
LYS HG2  H N N 233 
LYS HG3  H N N 234 
LYS HD2  H N N 235 
LYS HD3  H N N 236 
LYS HE2  H N N 237 
LYS HE3  H N N 238 
LYS HZ1  H N N 239 
LYS HZ2  H N N 240 
LYS HZ3  H N N 241 
LYS HXT  H N N 242 
MET N    N N N 243 
MET CA   C N S 244 
MET C    C N N 245 
MET O    O N N 246 
MET CB   C N N 247 
MET CG   C N N 248 
MET SD   S N N 249 
MET CE   C N N 250 
MET OXT  O N N 251 
MET H    H N N 252 
MET H2   H N N 253 
MET HA   H N N 254 
MET HB2  H N N 255 
MET HB3  H N N 256 
MET HG2  H N N 257 
MET HG3  H N N 258 
MET HE1  H N N 259 
MET HE2  H N N 260 
MET HE3  H N N 261 
MET HXT  H N N 262 
PHE N    N N N 263 
PHE CA   C N S 264 
PHE C    C N N 265 
PHE O    O N N 266 
PHE CB   C N N 267 
PHE CG   C Y N 268 
PHE CD1  C Y N 269 
PHE CD2  C Y N 270 
PHE CE1  C Y N 271 
PHE CE2  C Y N 272 
PHE CZ   C Y N 273 
PHE OXT  O N N 274 
PHE H    H N N 275 
PHE H2   H N N 276 
PHE HA   H N N 277 
PHE HB2  H N N 278 
PHE HB3  H N N 279 
PHE HD1  H N N 280 
PHE HD2  H N N 281 
PHE HE1  H N N 282 
PHE HE2  H N N 283 
PHE HZ   H N N 284 
PHE HXT  H N N 285 
PRO N    N N N 286 
PRO CA   C N S 287 
PRO C    C N N 288 
PRO O    O N N 289 
PRO CB   C N N 290 
PRO CG   C N N 291 
PRO CD   C N N 292 
PRO OXT  O N N 293 
PRO H    H N N 294 
PRO HA   H N N 295 
PRO HB2  H N N 296 
PRO HB3  H N N 297 
PRO HG2  H N N 298 
PRO HG3  H N N 299 
PRO HD2  H N N 300 
PRO HD3  H N N 301 
PRO HXT  H N N 302 
SER N    N N N 303 
SER CA   C N S 304 
SER C    C N N 305 
SER O    O N N 306 
SER CB   C N N 307 
SER OG   O N N 308 
SER OXT  O N N 309 
SER H    H N N 310 
SER H2   H N N 311 
SER HA   H N N 312 
SER HB2  H N N 313 
SER HB3  H N N 314 
SER HG   H N N 315 
SER HXT  H N N 316 
THR N    N N N 317 
THR CA   C N S 318 
THR C    C N N 319 
THR O    O N N 320 
THR CB   C N R 321 
THR OG1  O N N 322 
THR CG2  C N N 323 
THR OXT  O N N 324 
THR H    H N N 325 
THR H2   H N N 326 
THR HA   H N N 327 
THR HB   H N N 328 
THR HG1  H N N 329 
THR HG21 H N N 330 
THR HG22 H N N 331 
THR HG23 H N N 332 
THR HXT  H N N 333 
TRP N    N N N 334 
TRP CA   C N S 335 
TRP C    C N N 336 
TRP O    O N N 337 
TRP CB   C N N 338 
TRP CG   C Y N 339 
TRP CD1  C Y N 340 
TRP CD2  C Y N 341 
TRP NE1  N Y N 342 
TRP CE2  C Y N 343 
TRP CE3  C Y N 344 
TRP CZ2  C Y N 345 
TRP CZ3  C Y N 346 
TRP CH2  C Y N 347 
TRP OXT  O N N 348 
TRP H    H N N 349 
TRP H2   H N N 350 
TRP HA   H N N 351 
TRP HB2  H N N 352 
TRP HB3  H N N 353 
TRP HD1  H N N 354 
TRP HE1  H N N 355 
TRP HE3  H N N 356 
TRP HZ2  H N N 357 
TRP HZ3  H N N 358 
TRP HH2  H N N 359 
TRP HXT  H N N 360 
TYR N    N N N 361 
TYR CA   C N S 362 
TYR C    C N N 363 
TYR O    O N N 364 
TYR CB   C N N 365 
TYR CG   C Y N 366 
TYR CD1  C Y N 367 
TYR CD2  C Y N 368 
TYR CE1  C Y N 369 
TYR CE2  C Y N 370 
TYR CZ   C Y N 371 
TYR OH   O N N 372 
TYR OXT  O N N 373 
TYR H    H N N 374 
TYR H2   H N N 375 
TYR HA   H N N 376 
TYR HB2  H N N 377 
TYR HB3  H N N 378 
TYR HD1  H N N 379 
TYR HD2  H N N 380 
TYR HE1  H N N 381 
TYR HE2  H N N 382 
TYR HH   H N N 383 
TYR HXT  H N N 384 
VAL N    N N N 385 
VAL CA   C N S 386 
VAL C    C N N 387 
VAL O    O N N 388 
VAL CB   C N N 389 
VAL CG1  C N N 390 
VAL CG2  C N N 391 
VAL OXT  O N N 392 
VAL H    H N N 393 
VAL H2   H N N 394 
VAL HA   H N N 395 
VAL HB   H N N 396 
VAL HG11 H N N 397 
VAL HG12 H N N 398 
VAL HG13 H N N 399 
VAL HG21 H N N 400 
VAL HG22 H N N 401 
VAL HG23 H N N 402 
VAL HXT  H N N 403 
# 
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 
9OI N01 C02  sing N N 1   
9OI C02 C03  sing N N 2   
9OI C03 C04  doub Y N 3   
9OI C03 N07  sing Y N 4   
9OI C04 O05  sing Y N 5   
9OI N07 C06  doub Y N 6   
9OI O05 C06  sing Y N 7   
9OI C02 H021 sing N N 8   
9OI C02 H022 sing N N 9   
9OI C04 H041 sing N N 10  
9OI C06 H061 sing N N 11  
9OI N01 H011 sing N N 12  
9OI N01 H012 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                    9HSP 
_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]   0.019853 
_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]   0.014424 
_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]   0.008447 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . LYS A 1 39  ? -9.70914  -21.87887 -45.14364 1.000 75.40103  ? 616 LYS A N    1 
ATOM   2    C CA   . LYS A 1 39  ? -10.53186 -22.74174 -44.30573 1.000 67.83083  ? 616 LYS A CA   1 
ATOM   3    C C    . LYS A 1 39  ? -10.01707 -22.79955 -42.86071 1.000 65.46814  ? 616 LYS A C    1 
ATOM   4    O O    . LYS A 1 39  ? -10.74075 -23.24052 -41.96140 1.000 65.66416  ? 616 LYS A O    1 
ATOM   5    C CB   . LYS A 1 39  ? -10.59250 -24.16017 -44.89541 1.000 71.61900  ? 616 LYS A CB   1 
ATOM   6    C CG   . LYS A 1 39  ? -11.84527 -24.90743 -44.51740 1.000 74.90438  ? 616 LYS A CG   1 
ATOM   7    C CD   . LYS A 1 39  ? -13.09094 -24.18799 -45.03409 1.000 80.34207  ? 616 LYS A CD   1 
ATOM   8    C CE   . LYS A 1 39  ? -14.32532 -24.99980 -44.66867 1.000 83.15527  ? 616 LYS A CE   1 
ATOM   9    N NZ   . LYS A 1 39  ? -13.96170 -25.97567 -43.56603 1.000 77.35372  ? 616 LYS A NZ   1 
ATOM   10   N N    . ASN A 1 40  ? -8.77511  -22.37086 -42.62037 1.000 59.88720  ? 617 ASN A N    1 
ATOM   11   C CA   . ASN A 1 40  ? -8.15274  -22.56580 -41.31107 1.000 59.79287  ? 617 ASN A CA   1 
ATOM   12   C C    . ASN A 1 40  ? -8.50510  -21.43806 -40.34099 1.000 55.92263  ? 617 ASN A C    1 
ATOM   13   O O    . ASN A 1 40  ? -8.41590  -20.25858 -40.68537 1.000 61.60304  ? 617 ASN A O    1 
ATOM   14   C CB   . ASN A 1 40  ? -6.63596  -22.68892 -41.43930 1.000 60.42163  ? 617 ASN A CB   1 
ATOM   15   C CG   . ASN A 1 40  ? -5.96576  -23.00860 -40.10267 1.000 57.54687  ? 617 ASN A CG   1 
ATOM   16   O OD1  . ASN A 1 40  ? -6.02368  -24.13450 -39.61104 1.000 58.79666  ? 617 ASN A OD1  1 
ATOM   17   N ND2  . ASN A 1 40  ? -5.32263  -22.01272 -39.51873 1.000 62.11012  ? 617 ASN A ND2  1 
ATOM   18   N N    . VAL A 1 41  ? -8.88200  -21.81665 -39.12240 1.000 54.78943  ? 618 VAL A N    1 
ATOM   19   C CA   . VAL A 1 41  ? -9.37710  -20.91323 -38.09118 1.000 52.38792  ? 618 VAL A CA   1 
ATOM   20   C C    . VAL A 1 41  ? -8.35786  -20.91054 -36.95878 1.000 51.11576  ? 618 VAL A C    1 
ATOM   21   O O    . VAL A 1 41  ? -7.96210  -21.98176 -36.47785 1.000 46.01310  ? 618 VAL A O    1 
ATOM   22   C CB   . VAL A 1 41  ? -10.76587 -21.36818 -37.59284 1.000 51.08828  ? 618 VAL A CB   1 
ATOM   23   C CG1  . VAL A 1 41  ? -11.30419 -20.44324 -36.53788 1.000 46.04128  ? 618 VAL A CG1  1 
ATOM   24   C CG2  . VAL A 1 41  ? -11.75103 -21.43245 -38.75224 1.000 54.78692  ? 618 VAL A CG2  1 
ATOM   25   N N    . VAL A 1 42  ? -7.93406  -19.72256 -36.52310 1.000 44.48281  ? 619 VAL A N    1 
ATOM   26   C CA   . VAL A 1 42  ? -6.99092  -19.62941 -35.41460 1.000 44.25632  ? 619 VAL A CA   1 
ATOM   27   C C    . VAL A 1 42  ? -7.76395  -19.50395 -34.10466 1.000 44.17387  ? 619 VAL A C    1 
ATOM   28   O O    . VAL A 1 42  ? -8.56614  -18.57708 -33.92299 1.000 42.35201  ? 619 VAL A O    1 
ATOM   29   C CB   . VAL A 1 42  ? -6.01910  -18.45734 -35.58567 1.000 44.34908  ? 619 VAL A CB   1 
ATOM   30   C CG1  . VAL A 1 42  ? -5.09554  -18.42335 -34.39201 1.000 40.49029  ? 619 VAL A CG1  1 
ATOM   31   C CG2  . VAL A 1 42  ? -5.24890  -18.57405 -36.87601 1.000 43.38506  ? 619 VAL A CG2  1 
ATOM   32   N N    . ILE A 1 43  ? -7.49420  -20.41632 -33.17982 1.000 38.80306  ? 620 ILE A N    1 
ATOM   33   C CA   . ILE A 1 43  ? -8.13642  -20.44471 -31.86779 1.000 39.50330  ? 620 ILE A CA   1 
ATOM   34   C C    . ILE A 1 43  ? -7.10145  -20.13831 -30.79768 1.000 42.04130  ? 620 ILE A C    1 
ATOM   35   O O    . ILE A 1 43  ? -5.98608  -20.68695 -30.81110 1.000 35.81334  ? 620 ILE A O    1 
ATOM   36   C CB   . ILE A 1 43  ? -8.78125  -21.81001 -31.56492 1.000 38.02853  ? 620 ILE A CB   1 
ATOM   37   C CG1  . ILE A 1 43  ? -9.71799  -22.25535 -32.70108 1.000 41.40599  ? 620 ILE A CG1  1 
ATOM   38   C CG2  . ILE A 1 43  ? -9.44793  -21.77473 -30.19477 1.000 40.47557  ? 620 ILE A CG2  1 
ATOM   39   C CD1  . ILE A 1 43  ? -11.00501 -21.46529 -32.78408 1.000 42.09261  ? 620 ILE A CD1  1 
ATOM   40   N N    . TYR A 1 44  ? -7.49152  -19.30592 -29.83818 1.000 34.74693  ? 621 TYR A N    1 
ATOM   41   C CA   . TYR A 1 44  ? -6.62752  -18.93655 -28.72899 1.000 38.97257  ? 621 TYR A CA   1 
ATOM   42   C C    . TYR A 1 44  ? -7.26235  -19.39275 -27.42508 1.000 42.63691  ? 621 TYR A C    1 
ATOM   43   O O    . TYR A 1 44  ? -8.43744  -19.10398 -27.16361 1.000 41.98072  ? 621 TYR A O    1 
ATOM   44   C CB   . TYR A 1 44  ? -6.37004  -17.42005 -28.69400 1.000 38.59952  ? 621 TYR A CB   1 
ATOM   45   C CG   . TYR A 1 44  ? -5.44411  -16.98416 -27.56424 1.000 39.86918  ? 621 TYR A CG   1 
ATOM   46   C CD1  . TYR A 1 44  ? -4.09116  -17.28808 -27.60011 1.000 40.63329  ? 621 TYR A CD1  1 
ATOM   47   C CD2  . TYR A 1 44  ? -5.92094  -16.25830 -26.47672 1.000 42.72085  ? 621 TYR A CD2  1 
ATOM   48   C CE1  . TYR A 1 44  ? -3.22686  -16.89960 -26.57636 1.000 39.01298  ? 621 TYR A CE1  1 
ATOM   49   C CE2  . TYR A 1 44  ? -5.06999  -15.85317 -25.44053 1.000 42.18873  ? 621 TYR A CE2  1 
ATOM   50   C CZ   . TYR A 1 44  ? -3.71697  -16.17898 -25.50564 1.000 45.66731  ? 621 TYR A CZ   1 
ATOM   51   O OH   . TYR A 1 44  ? -2.85949  -15.79909 -24.50099 1.000 45.88099  ? 621 TYR A OH   1 
ATOM   52   N N    . ALA A 1 45  ? -6.49135  -20.12081 -26.62436 1.000 37.93682  ? 622 ALA A N    1 
ATOM   53   C CA   . ALA A 1 45  ? -6.87509  -20.47377 -25.26394 1.000 42.39809  ? 622 ALA A CA   1 
ATOM   54   C C    . ALA A 1 45  ? -5.74994  -20.07754 -24.33256 1.000 41.52346  ? 622 ALA A C    1 
ATOM   55   O O    . ALA A 1 45  ? -4.58385  -20.31561 -24.63619 1.000 44.69191  ? 622 ALA A O    1 
ATOM   56   C CB   . ALA A 1 45  ? -7.14161  -21.97816 -25.12781 1.000 41.78279  ? 622 ALA A CB   1 
ATOM   57   N N    . ASP A 1 46  ? -6.09288  -19.48638 -23.19899 1.000 41.64759  ? 623 ASP A N    1 
ATOM   58   C CA   . ASP A 1 46  ? -5.10151  -19.09373 -22.21465 1.000 43.68723  ? 623 ASP A CA   1 
ATOM   59   C C    . ASP A 1 46  ? -5.48071  -19.64647 -20.84677 1.000 48.49014  ? 623 ASP A C    1 
ATOM   60   O O    . ASP A 1 46  ? -6.63881  -19.98329 -20.58493 1.000 44.20123  ? 623 ASP A O    1 
ATOM   61   C CB   . ASP A 1 46  ? -4.92563  -17.55374 -22.16263 1.000 46.13734  ? 623 ASP A CB   1 
ATOM   62   C CG   . ASP A 1 46  ? -6.15462  -16.79914 -21.62802 1.000 51.00315  ? 623 ASP A CG   1 
ATOM   63   O OD1  . ASP A 1 46  ? -7.06915  -17.38755 -20.98827 1.000 57.19119  ? 623 ASP A OD1  1 
ATOM   64   O OD2  . ASP A 1 46  ? -6.16550  -15.56500 -21.83552 1.000 47.45991  ? 623 ASP A OD2  1 
ATOM   65   N N    . GLY A 1 47  ? -4.48566  -19.75166 -19.97520 1.000 47.23759  ? 624 GLY A N    1 
ATOM   66   C CA   . GLY A 1 47  ? -4.72915  -20.28040 -18.64378 1.000 47.90521  ? 624 GLY A CA   1 
ATOM   67   C C    . GLY A 1 47  ? -3.42086  -20.41344 -17.90153 1.000 49.06902  ? 624 GLY A C    1 
ATOM   68   O O    . GLY A 1 47  ? -2.35015  -20.09339 -18.42874 1.000 46.58885  ? 624 GLY A O    1 
ATOM   69   N N    . VAL A 1 48  ? -3.52110  -20.85471 -16.64338 1.000 49.47795  ? 625 VAL A N    1 
ATOM   70   C CA   . VAL A 1 48  ? -2.31508  -21.09987 -15.85422 1.000 46.61651  ? 625 VAL A CA   1 
ATOM   71   C C    . VAL A 1 48  ? -1.69329  -22.44247 -16.24306 1.000 46.27085  ? 625 VAL A C    1 
ATOM   72   O O    . VAL A 1 48  ? -0.47281  -22.56096 -16.36756 1.000 44.40215  ? 625 VAL A O    1 
ATOM   73   C CB   . VAL A 1 48  ? -2.62609  -21.02838 -14.34054 1.000 47.08147  ? 625 VAL A CB   1 
ATOM   74   C CG1  . VAL A 1 48  ? -1.33223  -21.18809 -13.48736 1.000 51.76597  ? 625 VAL A CG1  1 
ATOM   75   C CG2  . VAL A 1 48  ? -3.33613  -19.72057 -13.97499 1.000 47.69647  ? 625 VAL A CG2  1 
ATOM   76   N N    . TYR A 1 49  ? -2.51174  -23.47631 -16.43821 1.000 45.43457  ? 626 TYR A N    1 
ATOM   77   C CA   . TYR A 1 49  ? -2.02126  -24.82217 -16.77365 1.000 45.34280  ? 626 TYR A CA   1 
ATOM   78   C C    . TYR A 1 49  ? -1.01283  -25.34185 -15.73795 1.000 49.25388  ? 626 TYR A C    1 
ATOM   79   O O    . TYR A 1 49  ? 0.00436   -25.95156 -16.08019 1.000 48.47099  ? 626 TYR A O    1 
ATOM   80   C CB   . TYR A 1 49  ? -1.43963  -24.85336 -18.18891 1.000 45.30218  ? 626 TYR A CB   1 
ATOM   81   C CG   . TYR A 1 49  ? -2.46372  -24.41618 -19.21937 1.000 44.59102  ? 626 TYR A CG   1 
ATOM   82   C CD1  . TYR A 1 49  ? -3.53577  -25.24818 -19.56861 1.000 42.72843  ? 626 TYR A CD1  1 
ATOM   83   C CD2  . TYR A 1 49  ? -2.37712  -23.16081 -19.82315 1.000 43.55449  ? 626 TYR A CD2  1 
ATOM   84   C CE1  . TYR A 1 49  ? -4.48556  -24.83038 -20.51218 1.000 44.40398  ? 626 TYR A CE1  1 
ATOM   85   C CE2  . TYR A 1 49  ? -3.31554  -22.73994 -20.75808 1.000 41.17072  ? 626 TYR A CE2  1 
ATOM   86   C CZ   . TYR A 1 49  ? -4.36508  -23.57492 -21.09303 1.000 44.08182  ? 626 TYR A CZ   1 
ATOM   87   O OH   . TYR A 1 49  ? -5.29783  -23.14128 -22.00746 1.000 47.40786  ? 626 TYR A OH   1 
ATOM   88   N N    . ASP A 1 50  ? -1.30091  -25.11659 -14.45191 1.000 44.63686  ? 627 ASP A N    1 
ATOM   89   C CA   . ASP A 1 50  ? -0.48571  -25.68192 -13.38149 1.000 46.08763  ? 627 ASP A CA   1 
ATOM   90   C C    . ASP A 1 50  ? -0.83986  -27.16026 -13.18607 1.000 53.39847  ? 627 ASP A C    1 
ATOM   91   O O    . ASP A 1 50  ? -2.01102  -27.54295 -13.24012 1.000 48.08661  ? 627 ASP A O    1 
ATOM   92   C CB   . ASP A 1 50  ? -0.69540  -24.88893 -12.08652 1.000 50.70126  ? 627 ASP A CB   1 
ATOM   93   C CG   . ASP A 1 50  ? 0.47272   -25.01730 -11.10707 1.000 54.89276  ? 627 ASP A CG   1 
ATOM   94   O OD1  . ASP A 1 50  ? 1.51830   -25.57689 -11.48107 1.000 58.32214  ? 627 ASP A OD1  1 
ATOM   95   O OD2  . ASP A 1 50  ? 0.36116   -24.54193 -9.96341  1.000 59.17699  ? 627 ASP A OD2  1 
ATOM   96   N N    . MET A 1 51  ? 0.18489   -28.00122 -13.02273 1.000 52.11495  ? 628 MET A N    1 
ATOM   97   C CA   . MET A 1 51  ? 0.02656   -29.44551 -12.80960 1.000 48.93026  ? 628 MET A CA   1 
ATOM   98   C C    . MET A 1 51  ? -1.02022  -30.04488 -13.75452 1.000 48.41833  ? 628 MET A C    1 
ATOM   99   O O    . MET A 1 51  ? -2.05750  -30.54769 -13.33627 1.000 50.59000  ? 628 MET A O    1 
ATOM   100  C CB   . MET A 1 51  ? -0.34416  -29.72908 -11.35113 1.000 51.37005  ? 628 MET A CB   1 
ATOM   101  C CG   . MET A 1 51  ? 0.53258   -29.01747 -10.35675 1.000 55.01504  ? 628 MET A CG   1 
ATOM   102  S SD   . MET A 1 51  ? -0.01833  -29.37348 -8.67389  1.000 79.21687  ? 628 MET A SD   1 
ATOM   103  C CE   . MET A 1 51  ? -1.36439  -28.20037 -8.43330  1.000 67.93341  ? 628 MET A CE   1 
ATOM   104  N N    . LEU A 1 52  ? -0.69456  -30.00568 -15.04589 1.000 48.73326  ? 629 LEU A N    1 
ATOM   105  C CA   . LEU A 1 52  ? -1.65130  -30.35906 -16.09039 1.000 49.75696  ? 629 LEU A CA   1 
ATOM   106  C C    . LEU A 1 52  ? -2.23362  -31.75794 -15.88396 1.000 51.04410  ? 629 LEU A C    1 
ATOM   107  O O    . LEU A 1 52  ? -1.49730  -32.72444 -15.65605 1.000 48.45177  ? 629 LEU A O    1 
ATOM   108  C CB   . LEU A 1 52  ? -0.95784  -30.28127 -17.44619 1.000 47.14980  ? 629 LEU A CB   1 
ATOM   109  C CG   . LEU A 1 52  ? -1.83375  -30.12842 -18.67754 1.000 46.21003  ? 629 LEU A CG   1 
ATOM   110  C CD1  . LEU A 1 52  ? -2.31432  -28.68471 -18.79463 1.000 45.12445  ? 629 LEU A CD1  1 
ATOM   111  C CD2  . LEU A 1 52  ? -1.00010  -30.52607 -19.88585 1.000 46.41611  ? 629 LEU A CD2  1 
ATOM   112  N N    . HIS A 1 53  ? -3.56021  -31.87220 -16.00127 1.000 50.96024  ? 630 HIS A N    1 
ATOM   113  C CA   . HIS A 1 53  ? -4.25565  -33.14428 -15.82991 1.000 54.43957  ? 630 HIS A CA   1 
ATOM   114  C C    . HIS A 1 53  ? -5.32527  -33.28824 -16.91397 1.000 52.55978  ? 630 HIS A C    1 
ATOM   115  O O    . HIS A 1 53  ? -5.51425  -32.40633 -17.76133 1.000 47.41361  ? 630 HIS A O    1 
ATOM   116  C CB   . HIS A 1 53  ? -4.86508  -33.25972 -14.42477 1.000 55.81876  ? 630 HIS A CB   1 
ATOM   117  C CG   . HIS A 1 53  ? -5.79832  -32.14041 -14.08791 1.000 61.04752  ? 630 HIS A CG   1 
ATOM   118  N ND1  . HIS A 1 53  ? -7.07020  -32.04559 -14.61293 1.000 62.37993  ? 630 HIS A ND1  1 
ATOM   119  C CD2  . HIS A 1 53  ? -5.63564  -31.05176 -13.29995 1.000 62.42712  ? 630 HIS A CD2  1 
ATOM   120  C CE1  . HIS A 1 53  ? -7.65063  -30.94701 -14.16328 1.000 64.19811  ? 630 HIS A CE1  1 
ATOM   121  N NE2  . HIS A 1 53  ? -6.80015  -30.32465 -13.36696 1.000 65.22253  ? 630 HIS A NE2  1 
ATOM   122  N N    . LEU A 1 54  ? -6.02185  -34.43238 -16.87748 1.000 53.12143  ? 631 LEU A N    1 
ATOM   123  C CA   . LEU A 1 54  ? -7.02527  -34.76492 -17.88416 1.000 48.35550  ? 631 LEU A CA   1 
ATOM   124  C C    . LEU A 1 54  ? -8.01600  -33.62951 -18.09980 1.000 50.13506  ? 631 LEU A C    1 
ATOM   125  O O    . LEU A 1 54  ? -8.50883  -33.43395 -19.22262 1.000 45.71842  ? 631 LEU A O    1 
ATOM   126  C CB   . LEU A 1 54  ? -7.75018  -36.04022 -17.46858 1.000 45.67133  ? 631 LEU A CB   1 
ATOM   127  C CG   . LEU A 1 54  ? -8.68043  -36.67496 -18.48480 1.000 50.25590  ? 631 LEU A CG   1 
ATOM   128  C CD1  . LEU A 1 54  ? -7.94391  -36.89084 -19.79006 1.000 46.76484  ? 631 LEU A CD1  1 
ATOM   129  C CD2  . LEU A 1 54  ? -9.22789  -37.99933 -17.93596 1.000 47.68490  ? 631 LEU A CD2  1 
ATOM   130  N N    . GLY A 1 55  ? -8.29902  -32.85811 -17.04751 1.000 48.71676  ? 632 GLY A N    1 
ATOM   131  C CA   . GLY A 1 55  ? -9.22598  -31.74387 -17.17381 1.000 52.39560  ? 632 GLY A CA   1 
ATOM   132  C C    . GLY A 1 55  ? -8.74381  -30.67433 -18.13537 1.000 49.85748  ? 632 GLY A C    1 
ATOM   133  O O    . GLY A 1 55  ? -9.50082  -30.21817 -18.99664 1.000 44.61772  ? 632 GLY A O    1 
ATOM   134  N N    . HIS A 1 56  ? -7.48003  -30.24134 -17.99458 1.000 48.90329  ? 633 HIS A N    1 
ATOM   135  C CA   . HIS A 1 56  ? -6.91198  -29.30962 -18.96976 1.000 40.10696  ? 633 HIS A CA   1 
ATOM   136  C C    . HIS A 1 56  ? -6.91355  -29.90889 -20.36385 1.000 42.12920  ? 633 HIS A C    1 
ATOM   137  O O    . HIS A 1 56  ? -7.26668  -29.24230 -21.33799 1.000 43.88652  ? 633 HIS A O    1 
ATOM   138  C CB   . HIS A 1 56  ? -5.48495  -28.93268 -18.59642 1.000 42.51856  ? 633 HIS A CB   1 
ATOM   139  C CG   . HIS A 1 56  ? -5.34239  -28.39915 -17.21076 1.000 46.02432  ? 633 HIS A CG   1 
ATOM   140  N ND1  . HIS A 1 56  ? -4.97330  -29.18726 -16.14274 1.000 49.98494  ? 633 HIS A ND1  1 
ATOM   141  C CD2  . HIS A 1 56  ? -5.51379  -27.15138 -16.71845 1.000 45.96471  ? 633 HIS A CD2  1 
ATOM   142  C CE1  . HIS A 1 56  ? -4.92541  -28.44647 -15.04988 1.000 54.14579  ? 633 HIS A CE1  1 
ATOM   143  N NE2  . HIS A 1 56  ? -5.24045  -27.20423 -15.37448 1.000 48.87524  ? 633 HIS A NE2  1 
ATOM   144  N N    . MET A 1 57  ? -6.47541  -31.16286 -20.48218 1.000 41.49150  ? 634 MET A N    1 
ATOM   145  C CA   . MET A 1 57  ? -6.33430  -31.79956 -21.78637 1.000 42.03173  ? 634 MET A CA   1 
ATOM   146  C C    . MET A 1 57  ? -7.66586  -31.89451 -22.51561 1.000 40.15202  ? 634 MET A C    1 
ATOM   147  O O    . MET A 1 57  ? -7.72924  -31.68695 -23.72812 1.000 41.15797  ? 634 MET A O    1 
ATOM   148  C CB   . MET A 1 57  ? -5.71761  -33.18249 -21.60792 1.000 44.10068  ? 634 MET A CB   1 
ATOM   149  C CG   . MET A 1 57  ? -4.48970  -33.16951 -20.74743 1.000 46.38427  ? 634 MET A CG   1 
ATOM   150  S SD   . MET A 1 57  ? -3.85657  -34.84959 -20.54528 1.000 47.81781  ? 634 MET A SD   1 
ATOM   151  C CE   . MET A 1 57  ? -2.56493  -34.54537 -19.33630 1.000 50.08156  ? 634 MET A CE   1 
ATOM   152  N N    . LYS A 1 58  ? -8.73447  -32.24837 -21.81262 1.000 40.90367  ? 635 LYS A N    1 
ATOM   153  C CA   . LYS A 1 58  ? -10.02872 -32.28995 -22.47701 1.000 42.53903  ? 635 LYS A CA   1 
ATOM   154  C C    . LYS A 1 58  ? -10.44429 -30.90189 -22.94713 1.000 47.50725  ? 635 LYS A C    1 
ATOM   155  O O    . LYS A 1 58  ? -10.97093 -30.75404 -24.05746 1.000 48.75994  ? 635 LYS A O    1 
ATOM   156  C CB   . LYS A 1 58  ? -11.08130 -32.88792 -21.55012 1.000 44.54135  ? 635 LYS A CB   1 
ATOM   157  C CG   . LYS A 1 58  ? -11.12060 -34.40199 -21.55595 1.000 44.32229  ? 635 LYS A CG   1 
ATOM   158  C CD   . LYS A 1 58  ? -11.60733 -34.92602 -20.21968 1.000 52.58047  ? 635 LYS A CD   1 
ATOM   159  C CE   . LYS A 1 58  ? -12.76959 -35.86780 -20.36358 1.000 57.47131  ? 635 LYS A CE   1 
ATOM   160  N NZ   . LYS A 1 58  ? -13.12581 -36.45150 -19.02780 1.000 70.33535  ? 635 LYS A NZ   1 
ATOM   161  N N    . GLN A 1 59  ? -10.20499 -29.86841 -22.12799 1.000 44.14280  ? 636 GLN A N    1 
ATOM   162  C CA   . GLN A 1 59  ? -10.53959 -28.50868 -22.54674 1.000 45.37163  ? 636 GLN A CA   1 
ATOM   163  C C    . GLN A 1 59  ? -9.75751  -28.10058 -23.77650 1.000 43.56167  ? 636 GLN A C    1 
ATOM   164  O O    . GLN A 1 59  ? -10.31328 -27.48169 -24.68976 1.000 44.74142  ? 636 GLN A O    1 
ATOM   165  C CB   . GLN A 1 59  ? -10.27633 -27.51434 -21.42784 1.000 49.39299  ? 636 GLN A CB   1 
ATOM   166  C CG   . GLN A 1 59  ? -11.31383 -27.52780 -20.34036 1.000 60.34050  ? 636 GLN A CG   1 
ATOM   167  C CD   . GLN A 1 59  ? -11.45437 -26.18486 -19.67688 1.000 72.75325  ? 636 GLN A CD   1 
ATOM   168  O OE1  . GLN A 1 59  ? -10.47763 -25.64895 -19.15097 1.000 74.25442  ? 636 GLN A OE1  1 
ATOM   169  N NE2  . GLN A 1 59  ? -12.67138 -25.63656 -19.67271 1.000 77.74537  ? 636 GLN A NE2  1 
ATOM   170  N N    . LEU A 1 60  ? -8.45784  -28.42111 -23.80800 1.000 39.68816  ? 637 LEU A N    1 
ATOM   171  C CA   . LEU A 1 60  ? -7.63599  -28.14270 -24.97870 1.000 38.75905  ? 637 LEU A CA   1 
ATOM   172  C C    . LEU A 1 60  ? -8.16043  -28.87391 -26.21324 1.000 42.43172  ? 637 LEU A C    1 
ATOM   173  O O    . LEU A 1 60  ? -8.22633  -28.30317 -27.31024 1.000 38.98517  ? 637 LEU A O    1 
ATOM   174  C CB   . LEU A 1 60  ? -6.18028  -28.53339 -24.68853 1.000 37.51419  ? 637 LEU A CB   1 
ATOM   175  C CG   . LEU A 1 60  ? -5.47053  -27.64970 -23.64958 1.000 41.30176  ? 637 LEU A CG   1 
ATOM   176  C CD1  . LEU A 1 60  ? -4.03536  -28.12113 -23.33000 1.000 43.70218  ? 637 LEU A CD1  1 
ATOM   177  C CD2  . LEU A 1 60  ? -5.45743  -26.23096 -24.14959 1.000 35.59195  ? 637 LEU A CD2  1 
ATOM   178  N N    . GLU A 1 61  ? -8.48354  -30.16230 -26.06266 1.000 40.39138  ? 638 GLU A N    1 
ATOM   179  C CA   . GLU A 1 61  ? -9.07508  -30.92954 -27.15043 1.000 40.82762  ? 638 GLU A CA   1 
ATOM   180  C C    . GLU A 1 61  ? -10.30222 -30.22546 -27.69362 1.000 37.88335  ? 638 GLU A C    1 
ATOM   181  O O    . GLU A 1 61  ? -10.50847 -30.14436 -28.91257 1.000 36.07568  ? 638 GLU A O    1 
ATOM   182  C CB   . GLU A 1 61  ? -9.45871  -32.32483 -26.64987 1.000 37.49715  ? 638 GLU A CB   1 
ATOM   183  C CG   . GLU A 1 61  ? -9.80005  -33.27914 -27.76781 1.000 41.78808  ? 638 GLU A CG   1 
ATOM   184  C CD   . GLU A 1 61  ? -10.43200 -34.58770 -27.29345 1.000 43.29028  ? 638 GLU A CD   1 
ATOM   185  O OE1  . GLU A 1 61  ? -10.72868 -34.73994 -26.08859 1.000 46.13552  ? 638 GLU A OE1  1 
ATOM   186  O OE2  . GLU A 1 61  ? -10.65420 -35.46789 -28.14198 1.000 45.09814  ? 638 GLU A OE2  1 
ATOM   187  N N    . GLN A 1 62  ? -11.13710 -29.72429 -26.78740 1.000 39.29016  ? 639 GLN A N    1 
ATOM   188  C CA   . GLN A 1 62  ? -12.39040 -29.10059 -27.18504 1.000 41.15386  ? 639 GLN A CA   1 
ATOM   189  C C    . GLN A 1 62  ? -12.13423 -27.83854 -27.99776 1.000 42.60270  ? 639 GLN A C    1 
ATOM   190  O O    . GLN A 1 62  ? -12.67430 -27.67372 -29.09735 1.000 41.62055  ? 639 GLN A O    1 
ATOM   191  C CB   . GLN A 1 62  ? -13.21656 -28.79846 -25.94854 1.000 45.03376  ? 639 GLN A CB   1 
ATOM   192  C CG   . GLN A 1 62  ? -14.64272 -28.50885 -26.29124 1.000 55.64611  ? 639 GLN A CG   1 
ATOM   193  C CD   . GLN A 1 62  ? -15.49268 -28.22809 -25.07759 1.000 63.00931  ? 639 GLN A CD   1 
ATOM   194  O OE1  . GLN A 1 62  ? -15.15181 -28.62178 -23.95931 1.000 64.49859  ? 639 GLN A OE1  1 
ATOM   195  N NE2  . GLN A 1 62  ? -16.61997 -27.54727 -25.29298 1.000 65.03168  ? 639 GLN A NE2  1 
ATOM   196  N N    . ALA A 1 63  ? -11.27100 -26.95213 -27.49961 1.000 42.34458  ? 640 ALA A N    1 
ATOM   197  C CA   . ALA A 1 63  ? -10.90814 -25.78541 -28.30261 1.000 40.28629  ? 640 ALA A CA   1 
ATOM   198  C C    . ALA A 1 63  ? -10.34465 -26.19989 -29.65933 1.000 41.73686  ? 640 ALA A C    1 
ATOM   199  O O    . ALA A 1 63  ? -10.74275 -25.65518 -30.69703 1.000 42.21389  ? 640 ALA A O    1 
ATOM   200  C CB   . ALA A 1 63  ? -9.91363  -24.90811 -27.53879 1.000 40.55201  ? 640 ALA A CB   1 
ATOM   201  N N    . LYS A 1 64  ? -9.44771  -27.19036 -29.68402 1.000 38.47658  ? 641 LYS A N    1 
ATOM   202  C CA   . LYS A 1 64  ? -8.83244  -27.58117 -30.94457 1.000 35.35461  ? 641 LYS A CA   1 
ATOM   203  C C    . LYS A 1 64  ? -9.86627  -28.04945 -31.96449 1.000 43.13021  ? 641 LYS A C    1 
ATOM   204  O O    . LYS A 1 64  ? -9.66522  -27.88309 -33.17824 1.000 42.80041  ? 641 LYS A O    1 
ATOM   205  C CB   . LYS A 1 64  ? -7.78648  -28.67219 -30.70459 1.000 35.96260  ? 641 LYS A CB   1 
ATOM   206  C CG   . LYS A 1 64  ? -7.21702  -29.28660 -31.97889 1.000 39.19512  ? 641 LYS A CG   1 
ATOM   207  C CD   . LYS A 1 64  ? -6.37964  -28.32510 -32.78281 1.000 36.00405  ? 641 LYS A CD   1 
ATOM   208  C CE   . LYS A 1 64  ? -5.71779  -29.05548 -33.94155 1.000 40.40571  ? 641 LYS A CE   1 
ATOM   209  N NZ   . LYS A 1 64  ? -5.14974  -28.11104 -34.95016 1.000 45.11348  ? 641 LYS A NZ   1 
ATOM   210  N N    . LYS A 1 65  ? -10.96963 -28.63995 -31.50439 1.000 42.86693  ? 642 LYS A N    1 
ATOM   211  C CA   . LYS A 1 65  ? -11.95775 -29.24791 -32.38516 1.000 41.64996  ? 642 LYS A CA   1 
ATOM   212  C C    . LYS A 1 65  ? -13.19157 -28.36773 -32.57266 1.000 43.23697  ? 642 LYS A C    1 
ATOM   213  O O    . LYS A 1 65  ? -14.22277 -28.84885 -33.05204 1.000 44.09375  ? 642 LYS A O    1 
ATOM   214  C CB   . LYS A 1 65  ? -12.34482 -30.63276 -31.85725 1.000 37.11373  ? 642 LYS A CB   1 
ATOM   215  C CG   . LYS A 1 65  ? -11.22629 -31.68320 -32.00548 1.000 38.32591  ? 642 LYS A CG   1 
ATOM   216  C CD   . LYS A 1 65  ? -11.58062 -33.05197 -31.40901 1.000 40.01366  ? 642 LYS A CD   1 
ATOM   217  C CE   . LYS A 1 65  ? -10.43407 -34.04820 -31.66462 1.000 46.74214  ? 642 LYS A CE   1 
ATOM   218  N NZ   . LYS A 1 65  ? -10.64012 -35.38913 -31.07653 1.000 43.71226  ? 642 LYS A NZ   1 
ATOM   219  N N    . LEU A 1 66  ? -13.10234 -27.08026 -32.23501 1.000 44.43427  ? 643 LEU A N    1 
ATOM   220  C CA   . LEU A 1 66  ? -14.25210 -26.20240 -32.44783 1.000 41.53425  ? 643 LEU A CA   1 
ATOM   221  C C    . LEU A 1 66  ? -14.62734 -26.13922 -33.92385 1.000 47.11011  ? 643 LEU A C    1 
ATOM   222  O O    . LEU A 1 66  ? -15.81221 -26.08265 -34.26896 1.000 46.99849  ? 643 LEU A O    1 
ATOM   223  C CB   . LEU A 1 66  ? -13.95790 -24.81399 -31.89444 1.000 45.63073  ? 643 LEU A CB   1 
ATOM   224  C CG   . LEU A 1 66  ? -13.98733 -24.81476 -30.36793 1.000 42.36526  ? 643 LEU A CG   1 
ATOM   225  C CD1  . LEU A 1 66  ? -13.52562 -23.47812 -29.81724 1.000 41.83295  ? 643 LEU A CD1  1 
ATOM   226  C CD2  . LEU A 1 66  ? -15.40545 -25.15771 -29.90725 1.000 45.28507  ? 643 LEU A CD2  1 
ATOM   227  N N    . PHE A 1 67  ? -13.63623 -26.16945 -34.81474 1.000 45.89479  ? 644 PHE A N    1 
ATOM   228  C CA   . PHE A 1 67  ? -13.87809 -26.20966 -36.25345 1.000 46.28974  ? 644 PHE A CA   1 
ATOM   229  C C    . PHE A 1 67  ? -13.04775 -27.31022 -36.89627 1.000 50.61017  ? 644 PHE A C    1 
ATOM   230  O O    . PHE A 1 67  ? -12.12195 -27.85958 -36.29694 1.000 49.77236  ? 644 PHE A O    1 
ATOM   231  C CB   . PHE A 1 67  ? -13.56081 -24.86365 -36.90378 1.000 49.77645  ? 644 PHE A CB   1 
ATOM   232  C CG   . PHE A 1 67  ? -14.39196 -23.74757 -36.36924 1.000 47.25493  ? 644 PHE A CG   1 
ATOM   233  C CD1  . PHE A 1 67  ? -15.65285 -23.49951 -36.89348 1.000 45.51427  ? 644 PHE A CD1  1 
ATOM   234  C CD2  . PHE A 1 67  ? -13.94304 -22.98154 -35.31633 1.000 45.36766  ? 644 PHE A CD2  1 
ATOM   235  C CE1  . PHE A 1 67  ? -16.43819 -22.48375 -36.39603 1.000 49.16078  ? 644 PHE A CE1  1 
ATOM   236  C CE2  . PHE A 1 67  ? -14.72243 -21.95367 -34.81511 1.000 49.50025  ? 644 PHE A CE2  1 
ATOM   237  C CZ   . PHE A 1 67  ? -15.97049 -21.70043 -35.35333 1.000 48.94310  ? 644 PHE A CZ   1 
ATOM   238  N N    . GLU A 1 68  ? -13.37776 -27.60161 -38.15076 1.000 51.23815  ? 645 GLU A N    1 
ATOM   239  C CA   . GLU A 1 68  ? -12.74529 -28.70562 -38.85682 1.000 55.81216  ? 645 GLU A CA   1 
ATOM   240  C C    . GLU A 1 68  ? -11.24020 -28.49671 -38.99766 1.000 57.27646  ? 645 GLU A C    1 
ATOM   241  O O    . GLU A 1 68  ? -10.45061 -29.42270 -38.78551 1.000 57.48713  ? 645 GLU A O    1 
ATOM   242  C CB   . GLU A 1 68  ? -13.40408 -28.84912 -40.21699 1.000 64.52150  ? 645 GLU A CB   1 
ATOM   243  C CG   . GLU A 1 68  ? -12.70046 -29.78048 -41.13939 1.000 69.55936  ? 645 GLU A CG   1 
ATOM   244  C CD   . GLU A 1 68  ? -13.43424 -29.90083 -42.45777 1.000 81.01118  ? 645 GLU A CD   1 
ATOM   245  O OE1  . GLU A 1 68  ? -13.50666 -31.02566 -43.00861 1.000 87.33241  ? 645 GLU A OE1  1 
ATOM   246  O OE2  . GLU A 1 68  ? -13.93854 -28.85228 -42.93661 1.000 84.78965  ? 645 GLU A OE2  1 
ATOM   247  N N    . ASN A 1 69  ? -10.82579 -27.29011 -39.37270 1.000 54.35204  ? 646 ASN A N    1 
ATOM   248  C CA   . ASN A 1 69  ? -9.42586  -26.96165 -39.62950 1.000 56.43417  ? 646 ASN A CA   1 
ATOM   249  C C    . ASN A 1 69  ? -9.04407  -25.78279 -38.75042 1.000 53.22966  ? 646 ASN A C    1 
ATOM   250  O O    . ASN A 1 69  ? -9.47070  -24.65600 -39.00916 1.000 52.38284  ? 646 ASN A O    1 
ATOM   251  C CB   . ASN A 1 69  ? -9.20611  -26.61154 -41.09841 1.000 57.99408  ? 646 ASN A CB   1 
ATOM   252  C CG   . ASN A 1 69  ? -9.17529  -27.82373 -41.97560 1.000 68.40844  ? 646 ASN A CG   1 
ATOM   253  O OD1  . ASN A 1 69  ? -8.67535  -28.87651 -41.56766 1.000 70.39860  ? 646 ASN A OD1  1 
ATOM   254  N ND2  . ASN A 1 69  ? -9.69608  -27.69241 -43.19967 1.000 64.92421  ? 646 ASN A ND2  1 
ATOM   255  N N    . THR A 1 70  ? -8.24092  -26.03564 -37.72614 1.000 49.62946  ? 647 THR A N    1 
ATOM   256  C CA   . THR A 1 70  ? -7.87569  -25.01636 -36.76935 1.000 49.37781  ? 647 THR A CA   1 
ATOM   257  C C    . THR A 1 70  ? -6.36635  -25.01111 -36.54869 1.000 50.07325  ? 647 THR A C    1 
ATOM   258  O O    . THR A 1 70  ? -5.65347  -25.95873 -36.89214 1.000 50.43529  ? 647 THR A O    1 
ATOM   259  C CB   . THR A 1 70  ? -8.59334  -25.22392 -35.41484 1.000 49.17009  ? 647 THR A CB   1 
ATOM   260  O OG1  . THR A 1 70  ? -8.03343  -26.35494 -34.72774 1.000 48.69636  ? 647 THR A OG1  1 
ATOM   261  C CG2  . THR A 1 70  ? -10.07360 -25.47524 -35.62846 1.000 49.85151  ? 647 THR A CG2  1 
ATOM   262  N N    . THR A 1 71  ? -5.89381  -23.89147 -35.99958 1.000 46.16047  ? 648 THR A N    1 
ATOM   263  C CA   . THR A 1 71  ? -4.61318  -23.78318 -35.31028 1.000 46.27007  ? 648 THR A CA   1 
ATOM   264  C C    . THR A 1 71  ? -4.93236  -23.34528 -33.89105 1.000 40.84065  ? 648 THR A C    1 
ATOM   265  O O    . THR A 1 71  ? -5.47395  -22.24727 -33.69560 1.000 42.56307  ? 648 THR A O    1 
ATOM   266  C CB   . THR A 1 71  ? -3.67894  -22.75939 -35.97456 1.000 44.70499  ? 648 THR A CB   1 
ATOM   267  O OG1  . THR A 1 71  ? -3.28203  -23.20467 -37.27759 1.000 45.68521  ? 648 THR A OG1  1 
ATOM   268  C CG2  . THR A 1 71  ? -2.45773  -22.54295 -35.13441 1.000 44.84763  ? 648 THR A CG2  1 
ATOM   269  N N    . LEU A 1 72  ? -4.62584  -24.19671 -32.90945 1.000 40.44859  ? 649 LEU A N    1 
ATOM   270  C CA   . LEU A 1 72  ? -4.79190  -23.85478 -31.49252 1.000 37.31445  ? 649 LEU A CA   1 
ATOM   271  C C    . LEU A 1 72  ? -3.51482  -23.21734 -30.96812 1.000 37.60368  ? 649 LEU A C    1 
ATOM   272  O O    . LEU A 1 72  ? -2.45986  -23.86601 -30.94634 1.000 40.46950  ? 649 LEU A O    1 
ATOM   273  C CB   . LEU A 1 72  ? -5.12247  -25.08582 -30.65100 1.000 37.70946  ? 649 LEU A CB   1 
ATOM   274  C CG   . LEU A 1 72  ? -5.37083  -24.78733 -29.15734 1.000 35.72659  ? 649 LEU A CG   1 
ATOM   275  C CD1  . LEU A 1 72  ? -6.48791  -23.76449 -29.00806 1.000 31.82061  ? 649 LEU A CD1  1 
ATOM   276  C CD2  . LEU A 1 72  ? -5.70726  -26.05750 -28.38840 1.000 37.54175  ? 649 LEU A CD2  1 
ATOM   277  N N    . ILE A 1 73  ? -3.60872  -21.94876 -30.56345 1.000 38.81329  ? 650 ILE A N    1 
ATOM   278  C CA   . ILE A 1 73  ? -2.54857  -21.23846 -29.85437 1.000 39.09568  ? 650 ILE A CA   1 
ATOM   279  C C    . ILE A 1 73  ? -2.88899  -21.25249 -28.37717 1.000 39.43056  ? 650 ILE A C    1 
ATOM   280  O O    . ILE A 1 73  ? -4.01005  -20.89430 -27.98898 1.000 41.17344  ? 650 ILE A O    1 
ATOM   281  C CB   . ILE A 1 73  ? -2.40956  -19.79303 -30.35693 1.000 41.48525  ? 650 ILE A CB   1 
ATOM   282  C CG1  . ILE A 1 73  ? -2.18959  -19.77014 -31.86567 1.000 39.59040  ? 650 ILE A CG1  1 
ATOM   283  C CG2  . ILE A 1 73  ? -1.26884  -19.06292 -29.64631 1.000 36.87889  ? 650 ILE A CG2  1 
ATOM   284  C CD1  . ILE A 1 73  ? -2.16258  -18.36031 -32.45054 1.000 41.78682  ? 650 ILE A CD1  1 
ATOM   285  N N    . VAL A 1 74  ? -1.93931  -21.64751 -27.53813 1.000 39.99702  ? 651 VAL A N    1 
ATOM   286  C CA   . VAL A 1 74  ? -2.17066  -21.67472 -26.09595 1.000 37.72710  ? 651 VAL A CA   1 
ATOM   287  C C    . VAL A 1 74  ? -1.30803  -20.60318 -25.44840 1.000 42.78633  ? 651 VAL A C    1 
ATOM   288  O O    . VAL A 1 74  ? -0.10490  -20.49240 -25.74276 1.000 42.31549  ? 651 VAL A O    1 
ATOM   289  C CB   . VAL A 1 74  ? -1.90779  -23.07224 -25.51480 1.000 41.76993  ? 651 VAL A CB   1 
ATOM   290  C CG1  . VAL A 1 74  ? -2.18490  -23.09993 -24.00818 1.000 40.20978  ? 651 VAL A CG1  1 
ATOM   291  C CG2  . VAL A 1 74  ? -2.82113  -24.02923 -26.20027 1.000 39.75454  ? 651 VAL A CG2  1 
ATOM   292  N N    . GLY A 1 75  ? -1.92645  -19.77687 -24.61344 1.000 41.38558  ? 652 GLY A N    1 
ATOM   293  C CA   . GLY A 1 75  ? -1.19810  -18.77898 -23.84442 1.000 43.91326  ? 652 GLY A CA   1 
ATOM   294  C C    . GLY A 1 75  ? -1.05528  -19.23714 -22.39771 1.000 45.44164  ? 652 GLY A C    1 
ATOM   295  O O    . GLY A 1 75  ? -2.03726  -19.63285 -21.76501 1.000 41.83249  ? 652 GLY A O    1 
ATOM   296  N N    . VAL A 1 76  ? 0.17457   -19.17417 -21.89769 1.000 44.64828  ? 653 VAL A N    1 
ATOM   297  C CA   . VAL A 1 76  ? 0.48496   -19.59933 -20.53173 1.000 42.91919  ? 653 VAL A CA   1 
ATOM   298  C C    . VAL A 1 76  ? 0.84781   -18.37117 -19.70531 1.000 43.73218  ? 653 VAL A C    1 
ATOM   299  O O    . VAL A 1 76  ? 1.77068   -17.62590 -20.06318 1.000 43.60036  ? 653 VAL A O    1 
ATOM   300  C CB   . VAL A 1 76  ? 1.62499   -20.62857 -20.51741 1.000 43.25028  ? 653 VAL A CB   1 
ATOM   301  C CG1  . VAL A 1 76  ? 1.77540   -21.19760 -19.14316 1.000 43.99465  ? 653 VAL A CG1  1 
ATOM   302  C CG2  . VAL A 1 76  ? 1.33564   -21.74719 -21.49894 1.000 40.47490  ? 653 VAL A CG2  1 
ATOM   303  N N    . THR A 1 77  ? 0.14213   -18.17538 -18.58842 1.000 42.26687  ? 654 THR A N    1 
ATOM   304  C CA   . THR A 1 77  ? 0.27123   -16.95654 -17.79399 1.000 45.88087  ? 654 THR A CA   1 
ATOM   305  C C    . THR A 1 77  ? 1.58613   -16.93552 -17.00919 1.000 48.36786  ? 654 THR A C    1 
ATOM   306  O O    . THR A 1 77  ? 2.10455   -17.97607 -16.58529 1.000 44.19532  ? 654 THR A O    1 
ATOM   307  C CB   . THR A 1 77  ? -0.91800  -16.79732 -16.83352 1.000 46.79258  ? 654 THR A CB   1 
ATOM   308  O OG1  . THR A 1 77  ? -1.09274  -17.98891 -16.06511 1.000 49.76646  ? 654 THR A OG1  1 
ATOM   309  C CG2  . THR A 1 77  ? -2.22341  -16.49863 -17.59036 1.000 51.19103  ? 654 THR A CG2  1 
ATOM   310  N N    . SER A 1 78  ? 2.12276   -15.72749 -16.81683 1.000 46.65294  ? 655 SER A N    1 
ATOM   311  C CA   . SER A 1 78  ? 3.40259   -15.56487 -16.14949 1.000 49.93099  ? 655 SER A CA   1 
ATOM   312  C C    . SER A 1 78  ? 3.27217   -15.89765 -14.66486 1.000 53.44571  ? 655 SER A C    1 
ATOM   313  O O    . SER A 1 78  ? 2.17513   -15.88830 -14.09835 1.000 51.80274  ? 655 SER A O    1 
ATOM   314  C CB   . SER A 1 78  ? 3.91892   -14.13601 -16.31852 1.000 55.56503  ? 655 SER A CB   1 
ATOM   315  O OG   . SER A 1 78  ? 3.19182   -13.23512 -15.48353 1.000 58.26557  ? 655 SER A OG   1 
ATOM   316  N N    . ASP A 1 79  ? 4.41803   -16.17980 -14.02850 1.000 54.02575  ? 656 ASP A N    1 
ATOM   317  C CA   . ASP A 1 79  ? 4.41686   -16.47089 -12.59282 1.000 58.10349  ? 656 ASP A CA   1 
ATOM   318  C C    . ASP A 1 79  ? 3.93753   -15.26817 -11.80131 1.000 62.08975  ? 656 ASP A C    1 
ATOM   319  O O    . ASP A 1 79  ? 3.03177   -15.37484 -10.96606 1.000 63.36345  ? 656 ASP A O    1 
ATOM   320  C CB   . ASP A 1 79  ? 5.81541   -16.88042 -12.10616 1.000 60.76891  ? 656 ASP A CB   1 
ATOM   321  C CG   . ASP A 1 79  ? 6.21258   -18.27531 -12.56576 1.000 65.97693  ? 656 ASP A CG   1 
ATOM   322  O OD1  . ASP A 1 79  ? 5.35312   -19.18770 -12.52667 1.000 63.29333  ? 656 ASP A OD1  1 
ATOM   323  O OD2  . ASP A 1 79  ? 7.39173   -18.46663 -12.94950 1.000 68.64419  ? 656 ASP A OD2  1 
ATOM   324  N N    . ASN A 1 80  ? 4.54615   -14.10832 -12.04958 1.000 59.79631  ? 657 ASN A N    1 
ATOM   325  C CA   . ASN A 1 80  ? 4.25906   -12.95208 -11.22620 1.000 64.07220  ? 657 ASN A CA   1 
ATOM   326  C C    . ASN A 1 80  ? 2.78431   -12.58275 -11.28968 1.000 66.90877  ? 657 ASN A C    1 
ATOM   327  O O    . ASN A 1 80  ? 2.17228   -12.26103 -10.26010 1.000 70.74025  ? 657 ASN A O    1 
ATOM   328  C CB   . ASN A 1 80  ? 5.14679   -11.77649 -11.63600 1.000 70.64381  ? 657 ASN A CB   1 
ATOM   329  C CG   . ASN A 1 80  ? 6.56959   -11.93192 -11.12428 1.000 80.21280  ? 657 ASN A CG   1 
ATOM   330  O OD1  . ASN A 1 80  ? 6.90112   -12.95785 -10.52572 1.000 82.11378  ? 657 ASN A OD1  1 
ATOM   331  N ND2  . ASN A 1 80  ? 7.39979   -10.89502 -11.29324 1.000 82.39200  ? 657 ASN A ND2  1 
ATOM   332  N N    . GLU A 1 81  ? 2.18491   -12.64497 -12.47957 1.000 62.44137  ? 658 GLU A N    1 
ATOM   333  C CA   . GLU A 1 81  ? 0.81218   -12.16854 -12.59901 1.000 62.51997  ? 658 GLU A CA   1 
ATOM   334  C C    . GLU A 1 81  ? -0.18155  -13.18295 -12.04896 1.000 65.21040  ? 658 GLU A C    1 
ATOM   335  O O    . GLU A 1 81  ? -1.17591  -12.80145 -11.42204 1.000 69.49149  ? 658 GLU A O    1 
ATOM   336  C CB   . GLU A 1 81  ? 0.49280   -11.82048 -14.05197 1.000 60.69232  ? 658 GLU A CB   1 
ATOM   337  C CG   . GLU A 1 81  ? 1.06316   -10.46744 -14.48022 1.000 61.93781  ? 658 GLU A CG   1 
ATOM   338  C CD   . GLU A 1 81  ? 0.95539   -10.25806 -15.97684 1.000 61.36993  ? 658 GLU A CD   1 
ATOM   339  O OE1  . GLU A 1 81  ? 1.24004   -11.21871 -16.72109 1.000 57.16576  ? 658 GLU A OE1  1 
ATOM   340  O OE2  . GLU A 1 81  ? 0.61062   -9.13593  -16.40816 1.000 64.15893  ? 658 GLU A OE2  1 
ATOM   341  N N    . THR A 1 82  ? 0.07700   -14.47257 -12.24549 1.000 59.64797  ? 659 THR A N    1 
ATOM   342  C CA   . THR A 1 82  ? -0.76995  -15.49264 -11.63667 1.000 61.66556  ? 659 THR A CA   1 
ATOM   343  C C    . THR A 1 82  ? -0.79556  -15.35746 -10.11629 1.000 68.09746  ? 659 THR A C    1 
ATOM   344  O O    . THR A 1 82  ? -1.86274  -15.41631 -9.49418  1.000 68.28655  ? 659 THR A O    1 
ATOM   345  C CB   . THR A 1 82  ? -0.28193  -16.88074 -12.03471 1.000 57.86862  ? 659 THR A CB   1 
ATOM   346  O OG1  . THR A 1 82  ? -0.18436  -16.95423 -13.45977 1.000 53.59468  ? 659 THR A OG1  1 
ATOM   347  C CG2  . THR A 1 82  ? -1.26114  -17.93922 -11.54178 1.000 59.99537  ? 659 THR A CG2  1 
ATOM   348  N N    . LYS A 1 83  ? 0.38166   -15.20751 -9.49840  1.000 65.27745  ? 660 LYS A N    1 
ATOM   349  C CA   . LYS A 1 83  ? 0.45044   -15.02910 -8.04946  1.000 69.81592  ? 660 LYS A CA   1 
ATOM   350  C C    . LYS A 1 83  ? -0.28356  -13.77229 -7.60845  1.000 73.67869  ? 660 LYS A C    1 
ATOM   351  O O    . LYS A 1 83  ? -1.02706  -13.78606 -6.61686  1.000 82.60073  ? 660 LYS A O    1 
ATOM   352  C CB   . LYS A 1 83  ? 1.90699   -14.95916 -7.60058  1.000 65.81361  ? 660 LYS A CB   1 
ATOM   353  N N    . LEU A 1 84  ? -0.06835  -12.66362 -8.31672  1.000 70.87721  ? 661 LEU A N    1 
ATOM   354  C CA   . LEU A 1 84  ? -0.66831  -11.39821 -7.90626  1.000 75.15768  ? 661 LEU A CA   1 
ATOM   355  C C    . LEU A 1 84  ? -2.18553  -11.43197 -8.01951  1.000 74.05595  ? 661 LEU A C    1 
ATOM   356  O O    . LEU A 1 84  ? -2.88521  -10.91198 -7.14883  1.000 76.28052  ? 661 LEU A O    1 
ATOM   357  C CB   . LEU A 1 84  ? -0.10478  -10.26537 -8.75530  1.000 76.26064  ? 661 LEU A CB   1 
ATOM   358  C CG   . LEU A 1 84  ? -0.03328  -8.86901  -8.16238  1.000 80.72042  ? 661 LEU A CG   1 
ATOM   359  C CD1  . LEU A 1 84  ? 0.46524   -7.90960  -9.23266  1.000 83.54319  ? 661 LEU A CD1  1 
ATOM   360  C CD2  . LEU A 1 84  ? -1.38423  -8.42627  -7.61789  1.000 88.25122  ? 661 LEU A CD2  1 
ATOM   361  N N    . PHE A 1 85  ? -2.70891  -12.04270 -9.08252  1.000 77.04132  ? 662 PHE A N    1 
ATOM   362  C CA   . PHE A 1 85  ? -4.11653  -11.94323 -9.45830  1.000 77.85335  ? 662 PHE A CA   1 
ATOM   363  C C    . PHE A 1 85  ? -4.94336  -13.16270 -9.06752  1.000 78.02869  ? 662 PHE A C    1 
ATOM   364  O O    . PHE A 1 85  ? -6.08593  -13.00830 -8.62947  1.000 83.14675  ? 662 PHE A O    1 
ATOM   365  C CB   . PHE A 1 85  ? -4.24097  -11.70823 -10.97270 1.000 75.12160  ? 662 PHE A CB   1 
ATOM   366  C CG   . PHE A 1 85  ? -3.81074  -10.32911 -11.40927 1.000 76.39311  ? 662 PHE A CG   1 
ATOM   367  C CD1  . PHE A 1 85  ? -4.44371  -9.21101  -10.91889 1.000 75.68983  ? 662 PHE A CD1  1 
ATOM   368  C CD2  . PHE A 1 85  ? -2.77377  -10.15833 -12.30848 1.000 74.24887  ? 662 PHE A CD2  1 
ATOM   369  C CE1  . PHE A 1 85  ? -4.04467  -7.93746  -11.30358 1.000 84.47951  ? 662 PHE A CE1  1 
ATOM   370  C CE2  . PHE A 1 85  ? -2.37480  -8.88527  -12.70411 1.000 70.16109  ? 662 PHE A CE2  1 
ATOM   371  C CZ   . PHE A 1 85  ? -3.01231  -7.78063  -12.20332 1.000 79.41635  ? 662 PHE A CZ   1 
ATOM   372  N N    . LYS A 1 86  ? -4.40268  -14.37035 -9.21054  1.000 76.11082  ? 663 LYS A N    1 
ATOM   373  C CA   . LYS A 1 86  ? -5.12388  -15.60089 -8.89544  1.000 80.59379  ? 663 LYS A CA   1 
ATOM   374  C C    . LYS A 1 86  ? -4.70338  -16.17680 -7.55065  1.000 81.29153  ? 663 LYS A C    1 
ATOM   375  O O    . LYS A 1 86  ? -5.54918  -16.49124 -6.70755  1.000 80.01491  ? 663 LYS A O    1 
ATOM   376  C CB   . LYS A 1 86  ? -4.91172  -16.63088 -10.01225 1.000 74.31908  ? 663 LYS A CB   1 
ATOM   377  C CG   . LYS A 1 86  ? -6.08682  -17.57197 -10.24527 1.000 79.19162  ? 663 LYS A CG   1 
ATOM   378  C CD   . LYS A 1 86  ? -5.60222  -18.98212 -10.55263 1.000 82.65513  ? 663 LYS A CD   1 
ATOM   379  C CE   . LYS A 1 86  ? -4.67276  -19.50724 -9.45405  1.000 86.55169  ? 663 LYS A CE   1 
ATOM   380  N NZ   . LYS A 1 86  ? -4.04109  -20.83901 -9.75306  1.000 81.05314  ? 663 LYS A NZ   1 
ATOM   381  N N    . GLY A 1 87  ? -3.40315  -16.28472 -7.32416  1.000 81.53689  ? 664 GLY A N    1 
ATOM   382  C CA   . GLY A 1 87  ? -2.88379  -16.76758 -6.06653  1.000 85.68275  ? 664 GLY A CA   1 
ATOM   383  C C    . GLY A 1 87  ? -2.13943  -18.06626 -6.26245  1.000 88.90686  ? 664 GLY A C    1 
ATOM   384  O O    . GLY A 1 87  ? -2.70125  -19.02164 -6.80003  1.000 91.13675  ? 664 GLY A O    1 
ATOM   385  N N    . GLN A 1 88  ? -0.87262  -18.09470 -5.84492  1.000 89.29931  ? 665 GLN A N    1 
ATOM   386  C CA   . GLN A 1 88  ? -0.03662  -19.28996 -5.81104  1.000 84.04380  ? 665 GLN A CA   1 
ATOM   387  C C    . GLN A 1 88  ? -0.04083  -20.05895 -7.12428  1.000 83.22575  ? 665 GLN A C    1 
ATOM   388  O O    . GLN A 1 88  ? -1.09323  -20.31965 -7.71554  1.000 85.10415  ? 665 GLN A O    1 
ATOM   389  C CB   . GLN A 1 88  ? -0.47224  -20.21400 -4.66710  1.000 90.04692  ? 665 GLN A CB   1 
ATOM   390  C CG   . GLN A 1 88  ? -1.82244  -20.86075 -4.89520  1.000 93.34122  ? 665 GLN A CG   1 
ATOM   391  C CD   . GLN A 1 88  ? -2.86416  -20.43004 -3.88712  1.000 100.70429 ? 665 GLN A CD   1 
ATOM   392  O OE1  . GLN A 1 88  ? -2.74870  -19.37114 -3.25490  1.000 103.56450 ? 665 GLN A OE1  1 
ATOM   393  N NE2  . GLN A 1 88  ? -3.92402  -21.22121 -3.77171  1.000 101.19137 ? 665 GLN A NE2  1 
ATOM   394  N N    . VAL A 1 89  ? 1.14716   -20.41750 -7.58665  1.000 73.64801  ? 666 VAL A N    1 
ATOM   395  C CA   . VAL A 1 89  ? 1.32384   -21.36015 -8.67539  1.000 67.67973  ? 666 VAL A CA   1 
ATOM   396  C C    . VAL A 1 89  ? 2.35530   -22.36707 -8.20360  1.000 64.46997  ? 666 VAL A C    1 
ATOM   397  O O    . VAL A 1 89  ? 3.29801   -22.00631 -7.49128  1.000 62.24267  ? 666 VAL A O    1 
ATOM   398  C CB   . VAL A 1 89  ? 1.77579   -20.65675 -9.97016  1.000 63.00431  ? 666 VAL A CB   1 
ATOM   399  C CG1  . VAL A 1 89  ? 3.26381   -20.35730 -9.92159  1.000 65.88212  ? 666 VAL A CG1  1 
ATOM   400  C CG2  . VAL A 1 89  ? 1.44057   -21.48503 -11.16959 1.000 56.83570  ? 666 VAL A CG2  1 
ATOM   401  N N    . VAL A 1 90  ? 2.16801   -23.62858 -8.56671  1.000 62.44566  ? 667 VAL A N    1 
ATOM   402  C CA   . VAL A 1 90  ? 3.08054   -24.65504 -8.08387  1.000 59.43270  ? 667 VAL A CA   1 
ATOM   403  C C    . VAL A 1 90  ? 4.27496   -24.82444 -9.01560  1.000 60.81271  ? 667 VAL A C    1 
ATOM   404  O O    . VAL A 1 90  ? 5.41205   -24.93451 -8.55358  1.000 58.45027  ? 667 VAL A O    1 
ATOM   405  C CB   . VAL A 1 90  ? 2.33113   -25.98286 -7.88120  1.000 62.92962  ? 667 VAL A CB   1 
ATOM   406  C CG1  . VAL A 1 90  ? 3.30019   -27.03701 -7.40232  1.000 61.68376  ? 667 VAL A CG1  1 
ATOM   407  C CG2  . VAL A 1 90  ? 1.21652   -25.80228 -6.86803  1.000 67.14082  ? 667 VAL A CG2  1 
ATOM   408  N N    . GLN A 1 91  ? 4.05689   -24.85269 -10.32265 1.000 52.56486  ? 668 GLN A N    1 
ATOM   409  C CA   . GLN A 1 91  ? 5.14562   -24.99853 -11.27533 1.000 53.05817  ? 668 GLN A CA   1 
ATOM   410  C C    . GLN A 1 91  ? 5.49815   -23.65164 -11.89260 1.000 53.39257  ? 668 GLN A C    1 
ATOM   411  O O    . GLN A 1 91  ? 4.63979   -22.77646 -12.03852 1.000 49.98953  ? 668 GLN A O    1 
ATOM   412  C CB   . GLN A 1 91  ? 4.75712   -25.97361 -12.38050 1.000 52.50675  ? 668 GLN A CB   1 
ATOM   413  C CG   . GLN A 1 91  ? 4.58373   -27.39747 -11.91234 1.000 58.68486  ? 668 GLN A CG   1 
ATOM   414  C CD   . GLN A 1 91  ? 4.09417   -28.29748 -13.02495 1.000 56.34544  ? 668 GLN A CD   1 
ATOM   415  O OE1  . GLN A 1 91  ? 2.94833   -28.20123 -13.46571 1.000 50.28483  ? 668 GLN A OE1  1 
ATOM   416  N NE2  . GLN A 1 91  ? 4.97214   -29.15517 -13.50874 1.000 56.52689  ? 668 GLN A NE2  1 
ATOM   417  N N    . THR A 1 92  ? 6.76625   -23.50100 -12.27857 1.000 50.26520  ? 669 THR A N    1 
ATOM   418  C CA   . THR A 1 92  ? 7.23321   -22.27203 -12.91629 1.000 51.55028  ? 669 THR A CA   1 
ATOM   419  C C    . THR A 1 92  ? 6.67956   -22.13998 -14.32865 1.000 49.75938  ? 669 THR A C    1 
ATOM   420  O O    . THR A 1 92  ? 6.11129   -23.07235 -14.89875 1.000 47.55833  ? 669 THR A O    1 
ATOM   421  C CB   . THR A 1 92  ? 8.75347   -22.23963 -13.03344 1.000 52.98747  ? 669 THR A CB   1 
ATOM   422  O OG1  . THR A 1 92  ? 9.16227   -23.23838 -13.97598 1.000 52.06903  ? 669 THR A OG1  1 
ATOM   423  C CG2  . THR A 1 92  ? 9.40707   -22.50162 -11.70891 1.000 54.51889  ? 669 THR A CG2  1 
ATOM   424  N N    . LEU A 1 93  ? 6.89839   -20.96035 -14.91449 1.000 49.73619  ? 670 LEU A N    1 
ATOM   425  C CA   . LEU A 1 93  ? 6.45473   -20.73222 -16.28335 1.000 51.17884  ? 670 LEU A CA   1 
ATOM   426  C C    . LEU A 1 93  ? 7.09312   -21.74107 -17.22607 1.000 45.91339  ? 670 LEU A C    1 
ATOM   427  O O    . LEU A 1 93  ? 6.41734   -22.30633 -18.08946 1.000 45.57427  ? 670 LEU A O    1 
ATOM   428  C CB   . LEU A 1 93  ? 6.76011   -19.29634 -16.73099 1.000 49.05959  ? 670 LEU A CB   1 
ATOM   429  C CG   . LEU A 1 93  ? 6.39216   -18.93299 -18.18300 1.000 48.51484  ? 670 LEU A CG   1 
ATOM   430  C CD1  . LEU A 1 93  ? 4.90726   -19.06073 -18.42547 1.000 41.72967  ? 670 LEU A CD1  1 
ATOM   431  C CD2  . LEU A 1 93  ? 6.82386   -17.53066 -18.53097 1.000 46.16577  ? 670 LEU A CD2  1 
ATOM   432  N N    . GLU A 1 94  ? 8.39348   -21.99782 -17.06629 1.000 48.21962  ? 671 GLU A N    1 
ATOM   433  C CA   . GLU A 1 94  ? 9.06546   -22.93140 -17.96655 1.000 50.83527  ? 671 GLU A CA   1 
ATOM   434  C C    . GLU A 1 94  ? 8.51021   -24.34554 -17.81304 1.000 48.09937  ? 671 GLU A C    1 
ATOM   435  O O    . GLU A 1 94  ? 8.28873   -25.03960 -18.81072 1.000 47.19112  ? 671 GLU A O    1 
ATOM   436  C CB   . GLU A 1 94  ? 10.57550  -22.91957 -17.72955 1.000 51.63567  ? 671 GLU A CB   1 
ATOM   437  C CG   . GLU A 1 94  ? 11.23866  -21.54104 -17.87048 1.000 64.52656  ? 671 GLU A CG   1 
ATOM   438  C CD   . GLU A 1 94  ? 10.79827  -20.52535 -16.79122 1.000 69.30646  ? 671 GLU A CD   1 
ATOM   439  O OE1  . GLU A 1 94  ? 11.18571  -20.68733 -15.61243 1.000 70.80011  ? 671 GLU A OE1  1 
ATOM   440  O OE2  . GLU A 1 94  ? 10.06271  -19.56391 -17.11466 1.000 71.20148  ? 671 GLU A OE2  1 
ATOM   441  N N    . GLU A 1 95  ? 8.26570   -24.78614 -16.57188 1.000 45.67028  ? 672 GLU A N    1 
ATOM   442  C CA   . GLU A 1 95  ? 7.71668   -26.12445 -16.33910 1.000 44.03553  ? 672 GLU A CA   1 
ATOM   443  C C    . GLU A 1 95  ? 6.32154   -26.27949 -16.93781 1.000 46.02658  ? 672 GLU A C    1 
ATOM   444  O O    . GLU A 1 95  ? 6.02270   -27.28030 -17.60051 1.000 47.47342  ? 672 GLU A O    1 
ATOM   445  C CB   . GLU A 1 95  ? 7.65881   -26.41037 -14.84108 1.000 45.81260  ? 672 GLU A CB   1 
ATOM   446  C CG   . GLU A 1 95  ? 8.99804   -26.66539 -14.18856 1.000 49.00091  ? 672 GLU A CG   1 
ATOM   447  C CD   . GLU A 1 95  ? 8.91871   -26.63669 -12.66586 1.000 56.45634  ? 672 GLU A CD   1 
ATOM   448  O OE1  . GLU A 1 95  ? 7.94431   -26.07986 -12.10186 1.000 55.66536  ? 672 GLU A OE1  1 
ATOM   449  O OE2  . GLU A 1 95  ? 9.84218   -27.17829 -12.03279 1.000 61.68958  ? 672 GLU A OE2  1 
ATOM   450  N N    . ARG A 1 96  ? 5.44471   -25.30656 -16.70353 1.000 45.00960  ? 673 ARG A N    1 
ATOM   451  C CA   . ARG A 1 96  ? 4.07671   -25.40909 -17.20243 1.000 44.67665  ? 673 ARG A CA   1 
ATOM   452  C C    . ARG A 1 96  ? 4.04242   -25.36296 -18.72455 1.000 43.98685  ? 673 ARG A C    1 
ATOM   453  O O    . ARG A 1 96  ? 3.22440   -26.04762 -19.35093 1.000 45.03236  ? 673 ARG A O    1 
ATOM   454  C CB   . ARG A 1 96  ? 3.22023   -24.28923 -16.60943 1.000 42.89820  ? 673 ARG A CB   1 
ATOM   455  C CG   . ARG A 1 96  ? 3.19769   -24.28638 -15.08372 1.000 47.01627  ? 673 ARG A CG   1 
ATOM   456  C CD   . ARG A 1 96  ? 2.24782   -23.24221 -14.47690 1.000 47.33207  ? 673 ARG A CD   1 
ATOM   457  N NE   . ARG A 1 96  ? 2.89589   -21.95018 -14.24264 1.000 49.76864  ? 673 ARG A NE   1 
ATOM   458  C CZ   . ARG A 1 96  ? 2.55559   -20.82948 -14.86585 1.000 49.65963  ? 673 ARG A CZ   1 
ATOM   459  N NH1  . ARG A 1 96  ? 1.58005   -20.80794 -15.76112 1.000 46.46772  ? 673 ARG A NH1  1 
ATOM   460  N NH2  . ARG A 1 96  ? 3.21602   -19.70736 -14.59472 1.000 49.17614  ? 673 ARG A NH2  1 
ATOM   461  N N    . THR A 1 97  ? 4.92307   -24.56537 -19.33339 1.000 39.80044  ? 674 THR A N    1 
ATOM   462  C CA   . THR A 1 97  ? 5.00622   -24.47628 -20.78886 1.000 42.24349  ? 674 THR A CA   1 
ATOM   463  C C    . THR A 1 97  ? 5.57848   -25.76245 -21.39256 1.000 44.84580  ? 674 THR A C    1 
ATOM   464  O O    . THR A 1 97  ? 5.09062   -26.24389 -22.42250 1.000 42.01311  ? 674 THR A O    1 
ATOM   465  C CB   . THR A 1 97  ? 5.85780   -23.25889 -21.18467 1.000 43.91122  ? 674 THR A CB   1 
ATOM   466  O OG1  . THR A 1 97  ? 5.24301   -22.05644 -20.68705 1.000 46.75373  ? 674 THR A OG1  1 
ATOM   467  C CG2  . THR A 1 97  ? 6.04270   -23.13722 -22.73053 1.000 42.92430  ? 674 THR A CG2  1 
ATOM   468  N N    . GLU A 1 98  ? 6.62299   -26.32646 -20.77884 1.000 45.40298  ? 675 GLU A N    1 
ATOM   469  C CA   . GLU A 1 98  ? 7.24745   -27.51383 -21.35510 1.000 44.52735  ? 675 GLU A CA   1 
ATOM   470  C C    . GLU A 1 98  ? 6.31203   -28.72063 -21.32729 1.000 44.17871  ? 675 GLU A C    1 
ATOM   471  O O    . GLU A 1 98  ? 6.32297   -29.53882 -22.26046 1.000 42.16566  ? 675 GLU A O    1 
ATOM   472  C CB   . GLU A 1 98  ? 8.55129   -27.83953 -20.62119 1.000 45.85893  ? 675 GLU A CB   1 
ATOM   473  C CG   . GLU A 1 98  ? 9.37070   -28.91344 -21.29882 1.000 48.49891  ? 675 GLU A CG   1 
ATOM   474  C CD   . GLU A 1 98  ? 10.67791  -29.16982 -20.58999 1.000 53.62195  ? 675 GLU A CD   1 
ATOM   475  O OE1  . GLU A 1 98  ? 11.00154  -28.40998 -19.65639 1.000 56.71067  ? 675 GLU A OE1  1 
ATOM   476  O OE2  . GLU A 1 98  ? 11.38612  -30.11964 -20.96829 1.000 53.67814  ? 675 GLU A OE2  1 
ATOM   477  N N    . THR A 1 99  ? 5.49792   -28.85822 -20.28268 1.000 43.29932  ? 676 THR A N    1 
ATOM   478  C CA   . THR A 1 99  ? 4.50384   -29.92923 -20.27478 1.000 44.87316  ? 676 THR A CA   1 
ATOM   479  C C    . THR A 1 99  ? 3.51495   -29.77006 -21.42697 1.000 45.95507  ? 676 THR A C    1 
ATOM   480  O O    . THR A 1 99  ? 3.26268   -30.72051 -22.17665 1.000 42.37526  ? 676 THR A O    1 
ATOM   481  C CB   . THR A 1 99  ? 3.76594   -29.95237 -18.93811 1.000 44.94644  ? 676 THR A CB   1 
ATOM   482  O OG1  . THR A 1 99  ? 4.71495   -30.04798 -17.87323 1.000 44.11538  ? 676 THR A OG1  1 
ATOM   483  C CG2  . THR A 1 99  ? 2.76140   -31.14251 -18.87067 1.000 43.92958  ? 676 THR A CG2  1 
ATOM   484  N N    . LEU A 1 100 ? 2.94510   -28.56598 -21.57383 1.000 40.79185  ? 677 LEU A N    1 
ATOM   485  C CA   . LEU A 1 100 ? 1.99151   -28.27263 -22.63970 1.000 39.62369  ? 677 LEU A CA   1 
ATOM   486  C C    . LEU A 1 100 ? 2.52219   -28.62500 -24.01357 1.000 43.90498  ? 677 LEU A C    1 
ATOM   487  O O    . LEU A 1 100 ? 1.74934   -28.99652 -24.90358 1.000 42.84428  ? 677 LEU A O    1 
ATOM   488  C CB   . LEU A 1 100 ? 1.64487   -26.78625 -22.63673 1.000 42.08057  ? 677 LEU A CB   1 
ATOM   489  C CG   . LEU A 1 100 ? 0.43261   -26.37250 -21.83296 1.000 44.74474  ? 677 LEU A CG   1 
ATOM   490  C CD1  . LEU A 1 100 ? 0.31570   -24.84646 -21.96428 1.000 46.89061  ? 677 LEU A CD1  1 
ATOM   491  C CD2  . LEU A 1 100 ? -0.81891  -27.08204 -22.34635 1.000 41.90259  ? 677 LEU A CD2  1 
ATOM   492  N N    . LYS A 1 101 ? 3.82610   -28.45726 -24.22131 1.000 40.66188  ? 678 LYS A N    1 
ATOM   493  C CA   . LYS A 1 101 ? 4.46156   -28.80978 -25.48243 1.000 42.83228  ? 678 LYS A CA   1 
ATOM   494  C C    . LYS A 1 101 ? 4.15637   -30.24987 -25.89939 1.000 44.13474  ? 678 LYS A C    1 
ATOM   495  O O    . LYS A 1 101 ? 4.24964   -30.58516 -27.08606 1.000 43.69721  ? 678 LYS A O    1 
ATOM   496  C CB   . LYS A 1 101 ? 5.97545   -28.59223 -25.29877 1.000 43.70774  ? 678 LYS A CB   1 
ATOM   497  C CG   . LYS A 1 101 ? 6.80375   -28.46687 -26.53685 1.000 49.84209  ? 678 LYS A CG   1 
ATOM   498  C CD   . LYS A 1 101 ? 8.00305   -29.38059 -26.48881 1.000 52.20893  ? 678 LYS A CD   1 
ATOM   499  C CE   . LYS A 1 101 ? 8.81715   -29.19411 -25.21815 1.000 51.09230  ? 678 LYS A CE   1 
ATOM   500  N NZ   . LYS A 1 101 ? 10.11231  -29.92752 -25.35483 1.000 48.45172  ? 678 LYS A NZ   1 
ATOM   501  N N    . HIS A 1 102 ? 3.83972   -31.12549 -24.95754 1.000 39.57154  ? 679 HIS A N    1 
ATOM   502  C CA   . HIS A 1 102 ? 3.70202   -32.53718 -25.29566 1.000 38.50100  ? 679 HIS A CA   1 
ATOM   503  C C    . HIS A 1 102 ? 2.26872   -32.94195 -25.59784 1.000 42.68846  ? 679 HIS A C    1 
ATOM   504  O O    . HIS A 1 102 ? 2.02012   -34.12955 -25.86374 1.000 43.42615  ? 679 HIS A O    1 
ATOM   505  C CB   . HIS A 1 102 ? 4.23380   -33.40530 -24.15408 1.000 37.91680  ? 679 HIS A CB   1 
ATOM   506  C CG   . HIS A 1 102 ? 5.70749   -33.28852 -23.95466 1.000 42.97947  ? 679 HIS A CG   1 
ATOM   507  N ND1  . HIS A 1 102 ? 6.61524   -34.06141 -24.64592 1.000 42.80941  ? 679 HIS A ND1  1 
ATOM   508  C CD2  . HIS A 1 102 ? 6.43558   -32.47852 -23.15396 1.000 44.61803  ? 679 HIS A CD2  1 
ATOM   509  C CE1  . HIS A 1 102 ? 7.84239   -33.73181 -24.27895 1.000 43.40129  ? 679 HIS A CE1  1 
ATOM   510  N NE2  . HIS A 1 102 ? 7.76054   -32.77018 -23.37695 1.000 43.10601  ? 679 HIS A NE2  1 
ATOM   511  N N    . ILE A 1 103 ? 1.32433   -32.00174 -25.53987 1.000 38.58439  ? 680 ILE A N    1 
ATOM   512  C CA   . ILE A 1 103 ? -0.09329  -32.30525 -25.69624 1.000 38.61028  ? 680 ILE A CA   1 
ATOM   513  C C    . ILE A 1 103 ? -0.42943  -32.22057 -27.17433 1.000 42.54901  ? 680 ILE A C    1 
ATOM   514  O O    . ILE A 1 103 ? 0.00756   -31.29295 -27.86466 1.000 41.13071  ? 680 ILE A O    1 
ATOM   515  C CB   . ILE A 1 103 ? -0.95908  -31.33893 -24.87267 1.000 41.70644  ? 680 ILE A CB   1 
ATOM   516  C CG1  . ILE A 1 103 ? -0.64706  -31.47113 -23.35524 1.000 39.53139  ? 680 ILE A CG1  1 
ATOM   517  C CG2  . ILE A 1 103 ? -2.44401  -31.52371 -25.20008 1.000 38.39942  ? 680 ILE A CG2  1 
ATOM   518  C CD1  . ILE A 1 103 ? -0.56442  -32.90994 -22.81885 1.000 36.24625  ? 680 ILE A CD1  1 
ATOM   519  N N    . ARG A 1 104 ? -1.21329  -33.19180 -27.64869 1.000 40.95553  ? 681 ARG A N    1 
ATOM   520  C CA   . ARG A 1 104 ? -1.49085  -33.34664 -29.07345 1.000 42.10269  ? 681 ARG A CA   1 
ATOM   521  C C    . ARG A 1 104 ? -2.17096  -32.11754 -29.65595 1.000 42.15202  ? 681 ARG A C    1 
ATOM   522  O O    . ARG A 1 104 ? -1.89381  -31.72717 -30.79437 1.000 43.38481  ? 681 ARG A O    1 
ATOM   523  C CB   . ARG A 1 104 ? -2.38169  -34.57608 -29.27993 1.000 43.16610  ? 681 ARG A CB   1 
ATOM   524  C CG   . ARG A 1 104 ? -2.50409  -35.06268 -30.70383 1.000 45.06796  ? 681 ARG A CG   1 
ATOM   525  C CD   . ARG A 1 104 ? -3.60023  -36.10656 -30.79999 1.000 46.50532  ? 681 ARG A CD   1 
ATOM   526  N NE   . ARG A 1 104 ? -3.31195  -37.24948 -29.94806 1.000 48.54423  ? 681 ARG A NE   1 
ATOM   527  C CZ   . ARG A 1 104 ? -2.40689  -38.18247 -30.23146 1.000 53.69978  ? 681 ARG A CZ   1 
ATOM   528  N NH1  . ARG A 1 104 ? -1.66415  -38.12049 -31.33221 1.000 47.62867  ? 681 ARG A NH1  1 
ATOM   529  N NH2  . ARG A 1 104 ? -2.24675  -39.21031 -29.39452 1.000 49.21665  ? 681 ARG A NH2  1 
ATOM   530  N N    . TRP A 1 105 ? -3.08965  -31.52092 -28.91206 1.000 35.62797  ? 682 TRP A N    1 
ATOM   531  C CA   . TRP A 1 105 ? -3.97971  -30.52831 -29.48190 1.000 42.21377  ? 682 TRP A CA   1 
ATOM   532  C C    . TRP A 1 105 ? -3.30903  -29.18352 -29.64115 1.000 40.90294  ? 682 TRP A C    1 
ATOM   533  O O    . TRP A 1 105 ? -3.80041  -28.36022 -30.41165 1.000 41.92645  ? 682 TRP A O    1 
ATOM   534  C CB   . TRP A 1 105 ? -5.22525  -30.40648 -28.60570 1.000 34.95930  ? 682 TRP A CB   1 
ATOM   535  C CG   . TRP A 1 105 ? -5.66421  -31.75039 -28.13101 1.000 41.39251  ? 682 TRP A CG   1 
ATOM   536  C CD1  . TRP A 1 105 ? -5.65958  -32.20118 -26.84936 1.000 39.55232  ? 682 TRP A CD1  1 
ATOM   537  C CD2  . TRP A 1 105 ? -6.14122  -32.84319 -28.94251 1.000 42.48401  ? 682 TRP A CD2  1 
ATOM   538  N NE1  . TRP A 1 105 ? -6.11829  -33.49032 -26.80363 1.000 41.10298  ? 682 TRP A NE1  1 
ATOM   539  C CE2  . TRP A 1 105 ? -6.42455  -33.90679 -28.07283 1.000 43.52778  ? 682 TRP A CE2  1 
ATOM   540  C CE3  . TRP A 1 105 ? -6.36693  -33.01375 -30.31533 1.000 43.16911  ? 682 TRP A CE3  1 
ATOM   541  C CZ2  . TRP A 1 105 ? -6.91013  -35.12957 -28.52217 1.000 43.36943  ? 682 TRP A CZ2  1 
ATOM   542  C CZ3  . TRP A 1 105 ? -6.84198  -34.23423 -30.76492 1.000 42.37571  ? 682 TRP A CZ3  1 
ATOM   543  C CH2  . TRP A 1 105 ? -7.11561  -35.27333 -29.86898 1.000 48.18720  ? 682 TRP A CH2  1 
ATOM   544  N N    . VAL A 1 106 ? -2.16709  -28.98558 -28.99386 1.000 39.40730  ? 683 VAL A N    1 
ATOM   545  C CA   . VAL A 1 106 ? -1.50383  -27.68735 -28.92897 1.000 38.31690  ? 683 VAL A CA   1 
ATOM   546  C C    . VAL A 1 106 ? -0.64893  -27.48244 -30.16945 1.000 44.93201  ? 683 VAL A C    1 
ATOM   547  O O    . VAL A 1 106 ? 0.30512   -28.23024 -30.40695 1.000 46.10560  ? 683 VAL A O    1 
ATOM   548  C CB   . VAL A 1 106 ? -0.65475  -27.59875 -27.66370 1.000 39.95346  ? 683 VAL A CB   1 
ATOM   549  C CG1  . VAL A 1 106 ? 0.26999   -26.37780 -27.71492 1.000 39.66903  ? 683 VAL A CG1  1 
ATOM   550  C CG2  . VAL A 1 106 ? -1.56973  -27.59725 -26.44508 1.000 40.71707  ? 683 VAL A CG2  1 
ATOM   551  N N    . ASP A 1 107 ? -0.96474  -26.45279 -30.94799 1.000 42.59898  ? 684 ASP A N    1 
ATOM   552  C CA   . ASP A 1 107 ? -0.17621  -26.13250 -32.13070 1.000 45.15697  ? 684 ASP A CA   1 
ATOM   553  C C    . ASP A 1 107 ? 0.89173   -25.07445 -31.86676 1.000 47.11000  ? 684 ASP A C    1 
ATOM   554  O O    . ASP A 1 107 ? 2.01428   -25.18774 -32.37351 1.000 39.80122  ? 684 ASP A O    1 
ATOM   555  C CB   . ASP A 1 107 ? -1.09222  -25.65000 -33.24939 1.000 42.76309  ? 684 ASP A CB   1 
ATOM   556  C CG   . ASP A 1 107 ? -2.06765  -26.71657 -33.70130 1.000 48.00134  ? 684 ASP A CG   1 
ATOM   557  O OD1  . ASP A 1 107 ? -3.26513  -26.37807 -33.88073 1.000 47.15368  ? 684 ASP A OD1  1 
ATOM   558  O OD2  . ASP A 1 107 ? -1.64658  -27.88624 -33.86411 1.000 45.73214  ? 684 ASP A OD2  1 
ATOM   559  N N    . GLU A 1 108 ? 0.57275   -24.03197 -31.10488 1.000 43.44171  ? 685 GLU A N    1 
ATOM   560  C CA   . GLU A 1 108 ? 1.53922   -22.97670 -30.82711 1.000 39.98147  ? 685 GLU A CA   1 
ATOM   561  C C    . GLU A 1 108 ? 1.36611   -22.53423 -29.38643 1.000 41.59750  ? 685 GLU A C    1 
ATOM   562  O O    . GLU A 1 108 ? 0.27094   -22.63387 -28.82193 1.000 42.19965  ? 685 GLU A O    1 
ATOM   563  C CB   . GLU A 1 108 ? 1.36368   -21.78612 -31.76000 1.000 43.62396  ? 685 GLU A CB   1 
ATOM   564  C CG   . GLU A 1 108 ? 1.04051   -22.16623 -33.18162 1.000 49.20502  ? 685 GLU A CG   1 
ATOM   565  C CD   . GLU A 1 108 ? 1.13569   -20.97809 -34.11730 1.000 53.47443  ? 685 GLU A CD   1 
ATOM   566  O OE1  . GLU A 1 108 ? 1.28992   -19.84577 -33.60364 1.000 59.70591  ? 685 GLU A OE1  1 
ATOM   567  O OE2  . GLU A 1 108 ? 1.05745   -21.17297 -35.35094 1.000 49.93995  ? 685 GLU A OE2  1 
ATOM   568  N N    . ILE A 1 109 ? 2.44991   -22.06494 -28.77338 1.000 39.19892  ? 686 ILE A N    1 
ATOM   569  C CA   . ILE A 1 109 ? 2.35369   -21.56547 -27.40688 1.000 40.88368  ? 686 ILE A CA   1 
ATOM   570  C C    . ILE A 1 109 ? 2.90047   -20.14916 -27.35797 1.000 43.51486  ? 686 ILE A C    1 
ATOM   571  O O    . ILE A 1 109 ? 3.90559   -19.83121 -28.00628 1.000 41.43697  ? 686 ILE A O    1 
ATOM   572  C CB   . ILE A 1 109 ? 3.07432   -22.46907 -26.38437 1.000 40.66653  ? 686 ILE A CB   1 
ATOM   573  C CG1  . ILE A 1 109 ? 2.37563   -23.84399 -26.32252 1.000 41.89580  ? 686 ILE A CG1  1 
ATOM   574  C CG2  . ILE A 1 109 ? 3.04546   -21.82556 -24.99776 1.000 40.68168  ? 686 ILE A CG2  1 
ATOM   575  C CD1  . ILE A 1 109 ? 3.06107   -24.87573 -25.42190 1.000 36.38560  ? 686 ILE A CD1  1 
ATOM   576  N N    . ILE A 1 110 ? 2.20504   -19.29307 -26.62271 1.000 41.14397  ? 687 ILE A N    1 
ATOM   577  C CA   . ILE A 1 110 ? 2.68517   -17.96532 -26.28583 1.000 44.61256  ? 687 ILE A CA   1 
ATOM   578  C C    . ILE A 1 110 ? 2.98504   -17.99856 -24.79565 1.000 44.06689  ? 687 ILE A C    1 
ATOM   579  O O    . ILE A 1 110 ? 2.07946   -18.15338 -23.96998 1.000 41.98759  ? 687 ILE A O    1 
ATOM   580  C CB   . ILE A 1 110 ? 1.66432   -16.87703 -26.64759 1.000 44.30546  ? 687 ILE A CB   1 
ATOM   581  C CG1  . ILE A 1 110 ? 1.45843   -16.84162 -28.16119 1.000 46.65002  ? 687 ILE A CG1  1 
ATOM   582  C CG2  . ILE A 1 110 ? 2.15390   -15.53084 -26.18160 1.000 43.53326  ? 687 ILE A CG2  1 
ATOM   583  C CD1  . ILE A 1 110 ? 0.22225   -16.09564 -28.58867 1.000 44.93885  ? 687 ILE A CD1  1 
ATOM   584  N N    . SER A 1 111 ? 4.24358   -17.85585 -24.44199 1.000 39.89076  ? 688 SER A N    1 
ATOM   585  C CA   . SER A 1 111 ? 4.62841   -18.05872 -23.05339 1.000 41.74212  ? 688 SER A CA   1 
ATOM   586  C C    . SER A 1 111 ? 5.76529   -17.11850 -22.70601 1.000 44.84982  ? 688 SER A C    1 
ATOM   587  O O    . SER A 1 111 ? 6.88423   -17.29148 -23.21111 1.000 44.25197  ? 688 SER A O    1 
ATOM   588  C CB   . SER A 1 111 ? 5.04973   -19.51049 -22.82218 1.000 46.44515  ? 688 SER A CB   1 
ATOM   589  O OG   . SER A 1 111 ? 5.79529   -19.65698 -21.62551 1.000 44.14458  ? 688 SER A OG   1 
ATOM   590  N N    . PRO A 1 112 ? 5.53115   -16.11950 -21.83991 1.000 46.45292  ? 689 PRO A N    1 
ATOM   591  C CA   . PRO A 1 112 ? 4.23543   -15.93066 -21.18606 1.000 46.61667  ? 689 PRO A CA   1 
ATOM   592  C C    . PRO A 1 112 ? 3.24173   -15.21851 -22.09830 1.000 44.00073  ? 689 PRO A C    1 
ATOM   593  O O    . PRO A 1 112 ? 3.64701   -14.67160 -23.11347 1.000 43.24085  ? 689 PRO A O    1 
ATOM   594  C CB   . PRO A 1 112 ? 4.58454   -15.06453 -19.96565 1.000 48.53408  ? 689 PRO A CB   1 
ATOM   595  C CG   . PRO A 1 112 ? 5.75505   -14.24873 -20.42636 1.000 46.30722  ? 689 PRO A CG   1 
ATOM   596  C CD   . PRO A 1 112 ? 6.54064   -15.15740 -21.35331 1.000 43.08087  ? 689 PRO A CD   1 
ATOM   597  N N    . CYS A 1 113 ? 1.96527   -15.24071 -21.74161 1.000 44.21335  ? 690 CYS A N    1 
ATOM   598  C CA   . CYS A 1 113 ? 0.91713   -14.51399 -22.43821 1.000 47.29811  ? 690 CYS A CA   1 
ATOM   599  C C    . CYS A 1 113 ? 0.42596   -13.34929 -21.57829 1.000 45.39167  ? 690 CYS A C    1 
ATOM   600  O O    . CYS A 1 113 ? 0.56640   -13.36371 -20.35014 1.000 44.80813  ? 690 CYS A O    1 
ATOM   601  C CB   . CYS A 1 113 ? -0.26512  -15.44292 -22.75216 1.000 43.31180  ? 690 CYS A CB   1 
ATOM   602  S SG   . CYS A 1 113 ? -1.04849  -16.04836 -21.25768 1.000 45.30484  ? 690 CYS A SG   1 
ATOM   603  N N    . PRO A 1 114 ? -0.17461  -12.33269 -22.18346 1.000 50.67623  ? 691 PRO A N    1 
ATOM   604  C CA   . PRO A 1 114 ? -0.78978  -11.28275 -21.37256 1.000 48.47988  ? 691 PRO A CA   1 
ATOM   605  C C    . PRO A 1 114 ? -1.87758  -11.87597 -20.49535 1.000 53.17838  ? 691 PRO A C    1 
ATOM   606  O O    . PRO A 1 114 ? -2.54498  -12.85052 -20.86181 1.000 50.07541  ? 691 PRO A O    1 
ATOM   607  C CB   . PRO A 1 114 ? -1.36849  -10.32429 -22.41199 1.000 53.62577  ? 691 PRO A CB   1 
ATOM   608  C CG   . PRO A 1 114 ? -0.56006  -10.59363 -23.65586 1.000 52.05832  ? 691 PRO A CG   1 
ATOM   609  C CD   . PRO A 1 114 ? -0.32805  -12.07119 -23.62733 1.000 49.68261  ? 691 PRO A CD   1 
ATOM   610  N N    . TRP A 1 115 ? -2.03470  -11.27749 -19.31367 1.000 52.32795  ? 692 TRP A N    1 
ATOM   611  C CA   . TRP A 1 115 ? -3.09945  -11.67223 -18.39799 1.000 56.93863  ? 692 TRP A CA   1 
ATOM   612  C C    . TRP A 1 115 ? -4.48431  -11.36418 -18.97082 1.000 58.17292  ? 692 TRP A C    1 
ATOM   613  O O    . TRP A 1 115 ? -5.41727  -12.15517 -18.80495 1.000 59.48513  ? 692 TRP A O    1 
ATOM   614  C CB   . TRP A 1 115 ? -2.90706  -10.97031 -17.05164 1.000 56.40792  ? 692 TRP A CB   1 
ATOM   615  C CG   . TRP A 1 115 ? -3.80355  -11.50160 -15.99037 1.000 60.01925  ? 692 TRP A CG   1 
ATOM   616  C CD1  . TRP A 1 115 ? -4.90184  -10.88108 -15.45540 1.000 61.07884  ? 692 TRP A CD1  1 
ATOM   617  C CD2  . TRP A 1 115 ? -3.68078  -12.76082 -15.31104 1.000 55.29447  ? 692 TRP A CD2  1 
ATOM   618  N NE1  . TRP A 1 115 ? -5.47233  -11.68268 -14.49410 1.000 62.26487  ? 692 TRP A NE1  1 
ATOM   619  C CE2  . TRP A 1 115 ? -4.74223  -12.84122 -14.38972 1.000 63.33373  ? 692 TRP A CE2  1 
ATOM   620  C CE3  . TRP A 1 115 ? -2.77131  -13.81742 -15.38457 1.000 57.70161  ? 692 TRP A CE3  1 
ATOM   621  C CZ2  . TRP A 1 115 ? -4.91994  -13.94341 -13.54791 1.000 65.51046  ? 692 TRP A CZ2  1 
ATOM   622  C CZ3  . TRP A 1 115 ? -2.95639  -14.91881 -14.56015 1.000 57.50958  ? 692 TRP A CZ3  1 
ATOM   623  C CH2  . TRP A 1 115 ? -4.02414  -14.97044 -13.65244 1.000 61.81878  ? 692 TRP A CH2  1 
ATOM   624  N N    . VAL A 1 116 ? -4.65317  -10.22010 -19.63053 1.000 57.90529  ? 693 VAL A N    1 
ATOM   625  C CA   . VAL A 1 116 ? -5.93629  -9.84257  -20.21758 1.000 54.49738  ? 693 VAL A CA   1 
ATOM   626  C C    . VAL A 1 116 ? -5.79288  -9.77188  -21.73051 1.000 55.74702  ? 693 VAL A C    1 
ATOM   627  O O    . VAL A 1 116 ? -4.85560  -9.14396  -22.24230 1.000 55.81027  ? 693 VAL A O    1 
ATOM   628  C CB   . VAL A 1 116 ? -6.44958  -8.49847  -19.68295 1.000 59.72078  ? 693 VAL A CB   1 
ATOM   629  C CG1  . VAL A 1 116 ? -7.85133  -8.23840  -20.24023 1.000 53.63032  ? 693 VAL A CG1  1 
ATOM   630  C CG2  . VAL A 1 116 ? -6.44651  -8.47240  -18.16297 1.000 59.54809  ? 693 VAL A CG2  1 
ATOM   631  N N    . VAL A 1 117 ? -6.74872  -10.38232 -22.43954 1.000 56.52817  ? 694 VAL A N    1 
ATOM   632  C CA   . VAL A 1 117 ? -6.78891  -10.34349 -23.89841 1.000 52.94960  ? 694 VAL A CA   1 
ATOM   633  C C    . VAL A 1 117 ? -7.28138  -8.98104  -24.37181 1.000 55.30110  ? 694 VAL A C    1 
ATOM   634  O O    . VAL A 1 117 ? -8.26652  -8.44743  -23.84950 1.000 59.25440  ? 694 VAL A O    1 
ATOM   635  C CB   . VAL A 1 117 ? -7.70431  -11.46418 -24.41605 1.000 48.27590  ? 694 VAL A CB   1 
ATOM   636  C CG1  . VAL A 1 117 ? -7.93798  -11.32508 -25.91803 1.000 48.58007  ? 694 VAL A CG1  1 
ATOM   637  C CG2  . VAL A 1 117 ? -7.12528  -12.82896 -24.05604 1.000 49.82644  ? 694 VAL A CG2  1 
ATOM   638  N N    . THR A 1 118 ? -6.62050  -8.42007  -25.38320 1.000 54.87095  ? 695 THR A N    1 
ATOM   639  C CA   . THR A 1 118 ? -7.03206  -7.16126  -25.98727 1.000 59.53749  ? 695 THR A CA   1 
ATOM   640  C C    . THR A 1 118 ? -7.38229  -7.35233  -27.45511 1.000 60.24587  ? 695 THR A C    1 
ATOM   641  O O    . THR A 1 118 ? -6.90203  -8.28702  -28.10717 1.000 57.27196  ? 695 THR A O    1 
ATOM   642  C CB   . THR A 1 118 ? -5.93377  -6.09117  -25.90230 1.000 59.09423  ? 695 THR A CB   1 
ATOM   643  O OG1  . THR A 1 118 ? -4.80326  -6.51387  -26.68105 1.000 56.61069  ? 695 THR A OG1  1 
ATOM   644  C CG2  . THR A 1 118 ? -5.51238  -5.85875  -24.45539 1.000 59.25616  ? 695 THR A CG2  1 
ATOM   645  N N    . PRO A 1 119 ? -8.18008  -6.44715  -28.02080 1.000 63.28572  ? 696 PRO A N    1 
ATOM   646  C CA   . PRO A 1 119 ? -8.36887  -6.47393  -29.47501 1.000 61.63605  ? 696 PRO A CA   1 
ATOM   647  C C    . PRO A 1 119 ? -7.05249  -6.37720  -30.23180 1.000 61.17453  ? 696 PRO A C    1 
ATOM   648  O O    . PRO A 1 119 ? -6.89750  -7.05949  -31.25251 1.000 58.62302  ? 696 PRO A O    1 
ATOM   649  C CB   . PRO A 1 119 ? -9.27199  -5.26225  -29.73462 1.000 59.88218  ? 696 PRO A CB   1 
ATOM   650  C CG   . PRO A 1 119 ? -9.85748  -4.88528  -28.39073 1.000 61.69211  ? 696 PRO A CG   1 
ATOM   651  C CD   . PRO A 1 119 ? -8.81942  -5.27981  -27.38933 1.000 59.51187  ? 696 PRO A CD   1 
ATOM   652  N N    . GLU A 1 120 ? -6.10790  -5.53488  -29.77525 1.000 59.84416  ? 697 GLU A N    1 
ATOM   653  C CA   . GLU A 1 120 ? -4.79295  -5.46979  -30.41513 1.000 59.20575  ? 697 GLU A CA   1 
ATOM   654  C C    . GLU A 1 120 ? -4.13741  -6.84139  -30.43290 1.000 54.92257  ? 697 GLU A C    1 
ATOM   655  O O    . GLU A 1 120 ? -3.60458  -7.27988  -31.45650 1.000 54.19360  ? 697 GLU A O    1 
ATOM   656  C CB   . GLU A 1 120 ? -3.87638  -4.49271  -29.68691 1.000 54.81707  ? 697 GLU A CB   1 
ATOM   657  C CG   . GLU A 1 120 ? -4.21835  -3.04855  -29.80072 1.000 63.85224  ? 697 GLU A CG   1 
ATOM   658  C CD   . GLU A 1 120 ? -5.58596  -2.75519  -29.25622 1.000 72.44355  ? 697 GLU A CD   1 
ATOM   659  O OE1  . GLU A 1 120 ? -5.88295  -3.28285  -28.15646 1.000 71.27081  ? 697 GLU A OE1  1 
ATOM   660  O OE2  . GLU A 1 120 ? -6.33294  -1.96678  -29.88964 1.000 80.44215  ? 697 GLU A OE2  1 
ATOM   661  N N    . PHE A 1 121 ? -4.15664  -7.52915  -29.29188 1.000 52.82470  ? 698 PHE A N    1 
ATOM   662  C CA   . PHE A 1 121 ? -3.55090  -8.85373  -29.21513 1.000 52.05862  ? 698 PHE A CA   1 
ATOM   663  C C    . PHE A 1 121 ? -4.13220  -9.79676  -30.26840 1.000 51.51352  ? 698 PHE A C    1 
ATOM   664  O O    . PHE A 1 121 ? -3.39211  -10.51056 -30.94941 1.000 54.60809  ? 698 PHE A O    1 
ATOM   665  C CB   . PHE A 1 121 ? -3.73699  -9.42071  -27.81321 1.000 50.35904  ? 698 PHE A CB   1 
ATOM   666  C CG   . PHE A 1 121 ? -3.19110  -10.80433 -27.64479 1.000 53.10117  ? 698 PHE A CG   1 
ATOM   667  C CD1  . PHE A 1 121 ? -1.87358  -10.99498 -27.27253 1.000 49.80661  ? 698 PHE A CD1  1 
ATOM   668  C CD2  . PHE A 1 121 ? -4.00252  -11.91713 -27.82701 1.000 46.91637  ? 698 PHE A CD2  1 
ATOM   669  C CE1  . PHE A 1 121 ? -1.36398  -12.27179 -27.10015 1.000 48.44678  ? 698 PHE A CE1  1 
ATOM   670  C CE2  . PHE A 1 121 ? -3.49860  -13.19737 -27.64533 1.000 48.01086  ? 698 PHE A CE2  1 
ATOM   671  C CZ   . PHE A 1 121 ? -2.17604  -13.37268 -27.28559 1.000 45.22077  ? 698 PHE A CZ   1 
ATOM   672  N N    . LEU A 1 122 ? -5.46095  -9.82091  -30.41481 1.000 51.40710  ? 699 LEU A N    1 
ATOM   673  C CA   . LEU A 1 122 ? -6.07400  -10.68610 -31.42211 1.000 52.89501  ? 699 LEU A CA   1 
ATOM   674  C C    . LEU A 1 122 ? -5.57894  -10.34349 -32.82100 1.000 53.10124  ? 699 LEU A C    1 
ATOM   675  O O    . LEU A 1 122 ? -5.32336  -11.23551 -33.64011 1.000 48.40773  ? 699 LEU A O    1 
ATOM   676  C CB   . LEU A 1 122 ? -7.59710  -10.55835 -31.37965 1.000 50.77898  ? 699 LEU A CB   1 
ATOM   677  C CG   . LEU A 1 122 ? -8.30847  -10.86869 -30.06768 1.000 53.90414  ? 699 LEU A CG   1 
ATOM   678  C CD1  . LEU A 1 122 ? -9.81377  -10.69114 -30.23783 1.000 53.16742  ? 699 LEU A CD1  1 
ATOM   679  C CD2  . LEU A 1 122 ? -7.96583  -12.25996 -29.57534 1.000 46.24052  ? 699 LEU A CD2  1 
ATOM   680  N N    . GLU A 1 123 ? -5.47896  -9.05042  -33.12425 1.000 55.23173  ? 700 GLU A N    1 
ATOM   681  C CA   . GLU A 1 123 ? -4.98703  -8.63029  -34.42882 1.000 57.95526  ? 700 GLU A CA   1 
ATOM   682  C C    . GLU A 1 123 ? -3.53723  -9.04686  -34.62948 1.000 58.90598  ? 700 GLU A C    1 
ATOM   683  O O    . GLU A 1 123 ? -3.16997  -9.55256  -35.69852 1.000 61.04794  ? 700 GLU A O    1 
ATOM   684  C CB   . GLU A 1 123 ? -5.13472  -7.11735  -34.56026 1.000 58.94772  ? 700 GLU A CB   1 
ATOM   685  C CG   . GLU A 1 123 ? -4.83565  -6.56811  -35.92185 1.000 69.40004  ? 700 GLU A CG   1 
ATOM   686  C CD   . GLU A 1 123 ? -5.88852  -6.98834  -36.94539 1.000 79.50725  ? 700 GLU A CD   1 
ATOM   687  O OE1  . GLU A 1 123 ? -5.54748  -7.05663  -38.15190 1.000 81.71291  ? 700 GLU A OE1  1 
ATOM   688  O OE2  . GLU A 1 123 ? -7.03509  -7.31501  -36.53532 1.000 78.23100  ? 700 GLU A OE2  1 
ATOM   689  N N    . LYS A 1 124 ? -2.69924  -8.81682  -33.61703 1.000 54.65207  ? 701 LYS A N    1 
ATOM   690  C CA   . LYS A 1 124 ? -1.27914  -9.14154  -33.71695 1.000 54.52099  ? 701 LYS A CA   1 
ATOM   691  C C    . LYS A 1 124 ? -1.07154  -10.59045 -34.14586 1.000 53.55533  ? 701 LYS A C    1 
ATOM   692  O O    . LYS A 1 124 ? -0.30070  -10.86463 -35.07261 1.000 53.80558  ? 701 LYS A O    1 
ATOM   693  C CB   . LYS A 1 124 ? -0.59273  -8.86693  -32.37743 1.000 55.02881  ? 701 LYS A CB   1 
ATOM   694  C CG   . LYS A 1 124 ? 0.90315   -9.22513  -32.28453 1.000 56.63954  ? 701 LYS A CG   1 
ATOM   695  C CD   . LYS A 1 124 ? 1.57497   -8.35719  -31.20768 1.000 56.87220  ? 701 LYS A CD   1 
ATOM   696  C CE   . LYS A 1 124 ? 3.07680   -8.57314  -31.10403 1.000 60.39912  ? 701 LYS A CE   1 
ATOM   697  N NZ   . LYS A 1 124 ? 3.38413   -9.69745  -30.19608 1.000 63.58535  ? 701 LYS A NZ   1 
ATOM   698  N N    . TYR A 1 125 ? -1.76201  -11.53196 -33.49553 1.000 51.51984  ? 702 TYR A N    1 
ATOM   699  C CA   . TYR A 1 125 ? -1.58893  -12.96255 -33.75160 1.000 51.22018  ? 702 TYR A CA   1 
ATOM   700  C C    . TYR A 1 125 ? -2.65282  -13.53974 -34.68363 1.000 50.48115  ? 702 TYR A C    1 
ATOM   701  O O    . TYR A 1 125 ? -2.77651  -14.76294 -34.78234 1.000 48.04279  ? 702 TYR A O    1 
ATOM   702  C CB   . TYR A 1 125 ? -1.57303  -13.73858 -32.42951 1.000 46.91639  ? 702 TYR A CB   1 
ATOM   703  C CG   . TYR A 1 125 ? -0.41105  -13.36223 -31.54108 1.000 49.55902  ? 702 TYR A CG   1 
ATOM   704  C CD1  . TYR A 1 125 ? -0.52584  -12.33779 -30.62966 1.000 49.59654  ? 702 TYR A CD1  1 
ATOM   705  C CD2  . TYR A 1 125 ? 0.81108   -14.02915 -31.63113 1.000 50.03607  ? 702 TYR A CD2  1 
ATOM   706  C CE1  . TYR A 1 125 ? 0.53433   -11.97688 -29.81898 1.000 51.32356  ? 702 TYR A CE1  1 
ATOM   707  C CE2  . TYR A 1 125 ? 1.88476   -13.66998 -30.82183 1.000 52.85216  ? 702 TYR A CE2  1 
ATOM   708  C CZ   . TYR A 1 125 ? 1.73579   -12.63866 -29.91844 1.000 51.67279  ? 702 TYR A CZ   1 
ATOM   709  O OH   . TYR A 1 125 ? 2.78569   -12.25808 -29.10536 1.000 51.54749  ? 702 TYR A OH   1 
ATOM   710  N N    . LYS A 1 126 ? -3.42725  -12.68901 -35.34890 1.000 49.69237  ? 703 LYS A N    1 
ATOM   711  C CA   . LYS A 1 126 ? -4.44383  -13.11835 -36.29973 1.000 47.66655  ? 703 LYS A CA   1 
ATOM   712  C C    . LYS A 1 126 ? -5.32908  -14.20748 -35.70500 1.000 47.48884  ? 703 LYS A C    1 
ATOM   713  O O    . LYS A 1 126 ? -5.57934  -15.24790 -36.31561 1.000 50.67522  ? 703 LYS A O    1 
ATOM   714  C CB   . LYS A 1 126 ? -3.80007  -13.57563 -37.60000 1.000 53.18759  ? 703 LYS A CB   1 
ATOM   715  C CG   . LYS A 1 126 ? -2.65663  -12.68711 -38.05406 1.000 54.38220  ? 703 LYS A CG   1 
ATOM   716  C CD   . LYS A 1 126 ? -3.15247  -11.53208 -38.90828 1.000 64.20734  ? 703 LYS A CD   1 
ATOM   717  C CE   . LYS A 1 126 ? -2.45512  -10.21440 -38.51895 1.000 68.26797  ? 703 LYS A CE   1 
ATOM   718  N NZ   . LYS A 1 126 ? -2.91946  -9.06280  -39.33847 1.000 70.81642  ? 703 LYS A NZ   1 
ATOM   719  N N    . ILE A 1 127 ? -5.82384  -13.94450 -34.50278 1.000 45.30055  ? 704 ILE A N    1 
ATOM   720  C CA   . ILE A 1 127 ? -6.67882  -14.87660 -33.77081 1.000 46.98470  ? 704 ILE A CA   1 
ATOM   721  C C    . ILE A 1 127 ? -8.13415  -14.66155 -34.16294 1.000 46.59321  ? 704 ILE A C    1 
ATOM   722  O O    . ILE A 1 127 ? -8.63073  -13.52975 -34.12547 1.000 48.31487  ? 704 ILE A O    1 
ATOM   723  C CB   . ILE A 1 127 ? -6.50403  -14.68686 -32.26395 1.000 45.35714  ? 704 ILE A CB   1 
ATOM   724  C CG1  . ILE A 1 127 ? -5.18530  -15.31364 -31.83376 1.000 44.54289  ? 704 ILE A CG1  1 
ATOM   725  C CG2  . ILE A 1 127 ? -7.69673  -15.28160 -31.51960 1.000 43.73445  ? 704 ILE A CG2  1 
ATOM   726  C CD1  . ILE A 1 127 ? -4.70719  -14.81089 -30.51764 1.000 40.80071  ? 704 ILE A CD1  1 
ATOM   727  N N    . ASP A 1 128 ? -8.82798  -15.74758 -34.51801 1.000 42.51739  ? 705 ASP A N    1 
ATOM   728  C CA   . ASP A 1 128 ? -10.22688 -15.64324 -34.92284 1.000 45.16555  ? 705 ASP A CA   1 
ATOM   729  C C    . ASP A 1 128 ? -11.19103 -15.84837 -33.76142 1.000 43.78099  ? 705 ASP A C    1 
ATOM   730  O O    . ASP A 1 128 ? -12.22766 -15.18194 -33.70043 1.000 41.98246  ? 705 ASP A O    1 
ATOM   731  C CB   . ASP A 1 128 ? -10.54493 -16.65637 -36.01648 1.000 47.69321  ? 705 ASP A CB   1 
ATOM   732  C CG   . ASP A 1 128 ? -9.75110  -16.41030 -37.28732 1.000 49.03433  ? 705 ASP A CG   1 
ATOM   733  O OD1  . ASP A 1 128 ? -9.92253  -15.35424 -37.91460 1.000 49.83546  ? 705 ASP A OD1  1 
ATOM   734  O OD2  . ASP A 1 128 ? -8.92526  -17.27251 -37.64463 1.000 51.12000  ? 705 ASP A OD2  1 
ATOM   735  N N    . TYR A 1 129 ? -10.88280 -16.75938 -32.84662 1.000 41.00457  ? 706 TYR A N    1 
ATOM   736  C CA   . TYR A 1 129 ? -11.75861 -17.05439 -31.71719 1.000 42.65223  ? 706 TYR A CA   1 
ATOM   737  C C    . TYR A 1 129 ? -10.92834 -17.25137 -30.46003 1.000 46.21305  ? 706 TYR A C    1 
ATOM   738  O O    . TYR A 1 129 ? -9.81089  -17.78455 -30.50216 1.000 43.55230  ? 706 TYR A O    1 
ATOM   739  C CB   . TYR A 1 129 ? -12.61350 -18.33352 -31.93562 1.000 44.83768  ? 706 TYR A CB   1 
ATOM   740  C CG   . TYR A 1 129 ? -13.52190 -18.30012 -33.15091 1.000 44.28803  ? 706 TYR A CG   1 
ATOM   741  C CD1  . TYR A 1 129 ? -14.79647 -17.75841 -33.07812 1.000 46.04395  ? 706 TYR A CD1  1 
ATOM   742  C CD2  . TYR A 1 129 ? -13.09904 -18.81073 -34.36927 1.000 45.41937  ? 706 TYR A CD2  1 
ATOM   743  C CE1  . TYR A 1 129 ? -15.63329 -17.71666 -34.19530 1.000 41.60181  ? 706 TYR A CE1  1 
ATOM   744  C CE2  . TYR A 1 129 ? -13.93545 -18.76912 -35.50774 1.000 47.01673  ? 706 TYR A CE2  1 
ATOM   745  C CZ   . TYR A 1 129 ? -15.19605 -18.22027 -35.40613 1.000 45.97790  ? 706 TYR A CZ   1 
ATOM   746  O OH   . TYR A 1 129 ? -16.01944 -18.17944 -36.51183 1.000 39.74765  ? 706 TYR A OH   1 
ATOM   747  N N    . VAL A 1 130 ? -11.51001 -16.85387 -29.33123 1.000 45.55725  ? 707 VAL A N    1 
ATOM   748  C CA   . VAL A 1 130 ? -10.93819 -17.09744 -28.01571 1.000 43.42389  ? 707 VAL A CA   1 
ATOM   749  C C    . VAL A 1 130 ? -11.79097 -18.17316 -27.35701 1.000 49.65758  ? 707 VAL A C    1 
ATOM   750  O O    . VAL A 1 130 ? -13.01794 -18.02447 -27.26758 1.000 51.61684  ? 707 VAL A O    1 
ATOM   751  C CB   . VAL A 1 130 ? -10.87719 -15.81146 -27.17956 1.000 47.26359  ? 707 VAL A CB   1 
ATOM   752  C CG1  . VAL A 1 130 ? -10.57274 -16.12027 -25.71237 1.000 48.31975  ? 707 VAL A CG1  1 
ATOM   753  C CG2  . VAL A 1 130 ? -9.84086  -14.83776 -27.77914 1.000 41.67880  ? 707 VAL A CG2  1 
ATOM   754  N N    . ALA A 1 131 ? -11.14530 -19.27143 -26.93677 1.000 42.40259  ? 708 ALA A N    1 
ATOM   755  C CA   . ALA A 1 131 ? -11.80104 -20.40801 -26.29857 1.000 48.55943  ? 708 ALA A CA   1 
ATOM   756  C C    . ALA A 1 131 ? -11.74133 -20.25927 -24.78459 1.000 51.45770  ? 708 ALA A C    1 
ATOM   757  O O    . ALA A 1 131 ? -10.67170 -19.99817 -24.23016 1.000 53.86650  ? 708 ALA A O    1 
ATOM   758  C CB   . ALA A 1 131 ? -11.12845 -21.71549 -26.72596 1.000 48.57273  ? 708 ALA A CB   1 
ATOM   759  N N    . HIS A 1 132 ? -12.88106 -20.42356 -24.11239 1.000 57.23274  ? 709 HIS A N    1 
ATOM   760  C CA   . HIS A 1 132 ? -12.90774 -20.19771 -22.66993 1.000 63.19604  ? 709 HIS A CA   1 
ATOM   761  C C    . HIS A 1 132 ? -14.06048 -20.96196 -22.02957 1.000 65.54982  ? 709 HIS A C    1 
ATOM   762  O O    . HIS A 1 132 ? -15.06902 -21.23781 -22.68260 1.000 67.06113  ? 709 HIS A O    1 
ATOM   763  C CB   . HIS A 1 132 ? -13.04187 -18.71270 -22.33759 1.000 66.25361  ? 709 HIS A CB   1 
ATOM   764  C CG   . HIS A 1 132 ? -12.65481 -18.38449 -20.92887 1.000 76.64649  ? 709 HIS A CG   1 
ATOM   765  N ND1  . HIS A 1 132 ? -13.57890 -18.03596 -19.96283 1.000 81.33850  ? 709 HIS A ND1  1 
ATOM   766  C CD2  . HIS A 1 132 ? -11.44071 -18.33341 -20.32558 1.000 76.63063  ? 709 HIS A CD2  1 
ATOM   767  C CE1  . HIS A 1 132 ? -12.95349 -17.80297 -18.82019 1.000 82.85696  ? 709 HIS A CE1  1 
ATOM   768  N NE2  . HIS A 1 132 ? -11.65509 -17.96894 -19.01455 1.000 89.25695  ? 709 HIS A NE2  1 
ATOM   769  N N    . ASP A 1 133 ? -13.91074 -21.29115 -20.74532 1.000 73.14292  ? 710 ASP A N    1 
ATOM   770  C CA   . ASP A 1 133 ? -14.96728 -22.02643 -20.03978 1.000 74.92387  ? 710 ASP A CA   1 
ATOM   771  C C    . ASP A 1 133 ? -16.03829 -21.09901 -19.47710 1.000 77.81711  ? 710 ASP A C    1 
ATOM   772  O O    . ASP A 1 133 ? -15.84043 -19.89385 -19.35222 1.000 78.99857  ? 710 ASP A O    1 
ATOM   773  C CB   . ASP A 1 133 ? -14.39855 -22.87980 -18.90925 1.000 72.58775  ? 710 ASP A CB   1 
ATOM   774  C CG   . ASP A 1 133 ? -13.30834 -22.16990 -18.13762 1.000 80.40355  ? 710 ASP A CG   1 
ATOM   775  O OD1  . ASP A 1 133 ? -12.33484 -22.83618 -17.71297 1.000 86.67291  ? 710 ASP A OD1  1 
ATOM   776  O OD2  . ASP A 1 133 ? -13.39941 -20.93407 -17.99293 1.000 82.80305  ? 710 ASP A OD2  1 
ATOM   777  N N    . ASP A 1 144 ? -18.94566 -8.41306  -16.92136 1.000 89.05828  ? 739 ASP A N    1 
ATOM   778  C CA   . ASP A 1 144 ? -18.29107 -9.47758  -17.69789 1.000 83.53120  ? 739 ASP A CA   1 
ATOM   779  C C    . ASP A 1 144 ? -17.11397 -8.94882  -18.50289 1.000 85.18866  ? 739 ASP A C    1 
ATOM   780  O O    . ASP A 1 144 ? -17.28053 -8.10618  -19.38745 1.000 84.56776  ? 739 ASP A O    1 
ATOM   781  C CB   . ASP A 1 144 ? -19.27982 -10.16260 -18.64554 1.000 79.40565  ? 739 ASP A CB   1 
ATOM   782  C CG   . ASP A 1 144 ? -18.71494 -11.44396 -19.26032 1.000 82.40433  ? 739 ASP A CG   1 
ATOM   783  O OD1  . ASP A 1 144 ? -17.57610 -11.82560 -18.89016 1.000 87.77684  ? 739 ASP A OD1  1 
ATOM   784  O OD2  . ASP A 1 144 ? -19.41404 -12.06958 -20.10493 1.000 73.21849  ? 739 ASP A OD2  1 
ATOM   785  N N    . ILE A 1 145 ? -15.91912 -9.46262  -18.19991 1.000 89.81466  ? 740 ILE A N    1 
ATOM   786  C CA   . ILE A 1 145 ? -14.71848 -8.99714  -18.88804 1.000 85.91848  ? 740 ILE A CA   1 
ATOM   787  C C    . ILE A 1 145 ? -14.74046 -9.41004  -20.35487 1.000 78.16773  ? 740 ILE A C    1 
ATOM   788  O O    . ILE A 1 145 ? -14.20002 -8.69933  -21.21134 1.000 76.93055  ? 740 ILE A O    1 
ATOM   789  C CB   . ILE A 1 145 ? -13.46067 -9.51588  -18.16204 1.000 85.36771  ? 740 ILE A CB   1 
ATOM   790  C CG1  . ILE A 1 145 ? -13.70812 -10.91471 -17.58476 1.000 88.59519  ? 740 ILE A CG1  1 
ATOM   791  C CG2  . ILE A 1 145 ? -13.06600 -8.56692  -17.06175 1.000 83.19571  ? 740 ILE A CG2  1 
ATOM   792  C CD1  . ILE A 1 145 ? -12.47632 -11.53990 -16.92364 1.000 93.16929  ? 740 ILE A CD1  1 
ATOM   793  N N    . TYR A 1 146 ? -15.37025 -10.54616 -20.66810 1.000 78.16541  ? 741 TYR A N    1 
ATOM   794  C CA   . TYR A 1 146 ? -15.41831 -11.12667 -22.00555 1.000 68.83971  ? 741 TYR A CA   1 
ATOM   795  C C    . TYR A 1 146 ? -16.63389 -10.68513 -22.81518 1.000 64.67242  ? 741 TYR A C    1 
ATOM   796  O O    . TYR A 1 146 ? -16.86533 -11.22083 -23.90689 1.000 54.57573  ? 741 TYR A O    1 
ATOM   797  C CB   . TYR A 1 146 ? -15.41578 -12.65128 -21.91121 1.000 74.02812  ? 741 TYR A CB   1 
ATOM   798  C CG   . TYR A 1 146 ? -14.13406 -13.25532 -21.36751 1.000 83.02052  ? 741 TYR A CG   1 
ATOM   799  C CD1  . TYR A 1 146 ? -13.81316 -13.16300 -20.00978 1.000 81.60417  ? 741 TYR A CD1  1 
ATOM   800  C CD2  . TYR A 1 146 ? -13.25843 -13.95531 -22.20505 1.000 78.52177  ? 741 TYR A CD2  1 
ATOM   801  C CE1  . TYR A 1 146 ? -12.63727 -13.72736 -19.50116 1.000 83.84788  ? 741 TYR A CE1  1 
ATOM   802  C CE2  . TYR A 1 146 ? -12.07824 -14.52960 -21.70607 1.000 83.24912  ? 741 TYR A CE2  1 
ATOM   803  C CZ   . TYR A 1 146 ? -11.76898 -14.41164 -20.35703 1.000 88.46223  ? 741 TYR A CZ   1 
ATOM   804  O OH   . TYR A 1 146 ? -10.59513 -14.98341 -19.87826 1.000 91.81445  ? 741 TYR A OH   1 
ATOM   805  N N    . ALA A 1 147 ? -17.41399 -9.72642  -22.30962 1.000 65.21251  ? 742 ALA A N    1 
ATOM   806  C CA   . ALA A 1 147 ? -18.55283 -9.21717  -23.06507 1.000 57.71829  ? 742 ALA A CA   1 
ATOM   807  C C    . ALA A 1 147 ? -18.12488 -8.74172  -24.44712 1.000 56.95304  ? 742 ALA A C    1 
ATOM   808  O O    . ALA A 1 147 ? -18.77957 -9.04163  -25.45416 1.000 50.96261  ? 742 ALA A O    1 
ATOM   809  C CB   . ALA A 1 147 ? -19.22569 -8.08094  -22.29811 1.000 62.03772  ? 742 ALA A CB   1 
ATOM   810  N N    . TRP A 1 148 ? -17.00472 -8.02240  -24.52565 1.000 54.90906  ? 743 TRP A N    1 
ATOM   811  C CA   . TRP A 1 148 ? -16.59371 -7.50309  -25.82194 1.000 53.10162  ? 743 TRP A CA   1 
ATOM   812  C C    . TRP A 1 148 ? -16.28104 -8.61676  -26.81178 1.000 51.84941  ? 743 TRP A C    1 
ATOM   813  O O    . TRP A 1 148 ? -16.47878 -8.43695  -28.01931 1.000 48.60784  ? 743 TRP A O    1 
ATOM   814  C CB   . TRP A 1 148 ? -15.40529 -6.57177  -25.66590 1.000 56.12685  ? 743 TRP A CB   1 
ATOM   815  C CG   . TRP A 1 148 ? -14.10648 -7.21780  -25.32883 1.000 61.54978  ? 743 TRP A CG   1 
ATOM   816  C CD1  . TRP A 1 148 ? -13.57331 -7.42979  -24.07559 1.000 63.75119  ? 743 TRP A CD1  1 
ATOM   817  C CD2  . TRP A 1 148 ? -13.13997 -7.68992  -26.25951 1.000 57.72011  ? 743 TRP A CD2  1 
ATOM   818  N NE1  . TRP A 1 148 ? -12.32491 -8.01282  -24.18309 1.000 61.41910  ? 743 TRP A NE1  1 
ATOM   819  C CE2  . TRP A 1 148 ? -12.03866 -8.18102  -25.51453 1.000 59.54829  ? 743 TRP A CE2  1 
ATOM   820  C CE3  . TRP A 1 148 ? -13.09318 -7.74299  -27.65615 1.000 55.71159  ? 743 TRP A CE3  1 
ATOM   821  C CZ2  . TRP A 1 148 ? -10.91521 -8.72017  -26.12794 1.000 58.94529  ? 743 TRP A CZ2  1 
ATOM   822  C CZ3  . TRP A 1 148 ? -11.98095 -8.28101  -28.26181 1.000 57.15493  ? 743 TRP A CZ3  1 
ATOM   823  C CH2  . TRP A 1 148 ? -10.90663 -8.75908  -27.50402 1.000 59.03466  ? 743 TRP A CH2  1 
ATOM   824  N N    . LEU A 1 149 ? -15.79892 -9.77483  -26.33683 1.000 52.45775  ? 744 LEU A N    1 
ATOM   825  C CA   . LEU A 1 149 ? -15.51837 -10.86809 -27.26105 1.000 47.32483  ? 744 LEU A CA   1 
ATOM   826  C C    . LEU A 1 149 ? -16.80864 -11.50546 -27.75498 1.000 47.37654  ? 744 LEU A C    1 
ATOM   827  O O    . LEU A 1 149 ? -16.91590 -11.90810 -28.92008 1.000 41.63236  ? 744 LEU A O    1 
ATOM   828  C CB   . LEU A 1 149 ? -14.64243 -11.92827 -26.60086 1.000 49.24771  ? 744 LEU A CB   1 
ATOM   829  C CG   . LEU A 1 149 ? -13.16144 -11.59596 -26.50092 1.000 52.48178  ? 744 LEU A CG   1 
ATOM   830  C CD1  . LEU A 1 149 ? -12.56622 -12.34139 -25.32554 1.000 53.97559  ? 744 LEU A CD1  1 
ATOM   831  C CD2  . LEU A 1 149 ? -12.44709 -11.96244 -27.77608 1.000 45.72568  ? 744 LEU A CD2  1 
ATOM   832  N N    . LYS A 1 150 ? -17.78886 -11.64675 -26.87739 1.000 46.77647  ? 745 LYS A N    1 
ATOM   833  C CA   . LYS A 1 150 ? -19.06198 -12.18079 -27.33536 1.000 45.40173  ? 745 LYS A CA   1 
ATOM   834  C C    . LYS A 1 150 ? -19.66083 -11.24724 -28.37416 1.000 46.21716  ? 745 LYS A C    1 
ATOM   835  O O    . LYS A 1 150 ? -20.09098 -11.67751 -29.44951 1.000 44.69566  ? 745 LYS A O    1 
ATOM   836  C CB   . LYS A 1 150 ? -20.00136 -12.37176 -26.14593 1.000 47.74231  ? 745 LYS A CB   1 
ATOM   837  C CG   . LYS A 1 150 ? -19.48438 -13.39611 -25.13640 1.000 51.22137  ? 745 LYS A CG   1 
ATOM   838  C CD   . LYS A 1 150 ? -20.40610 -13.55539 -23.93731 1.000 54.36174  ? 745 LYS A CD   1 
ATOM   839  C CE   . LYS A 1 150 ? -19.82732 -14.55668 -22.94124 1.000 55.32966  ? 745 LYS A CE   1 
ATOM   840  N NZ   . LYS A 1 150 ? -20.35804 -14.35465 -21.57127 1.000 60.58284  ? 745 LYS A NZ   1 
ATOM   841  N N    . ARG A 1 151 ? -19.64864 -9.94663  -28.07971 1.000 43.87679  ? 746 ARG A N    1 
ATOM   842  C CA   . ARG A 1 151 ? -20.22332 -8.97311  -28.99537 1.000 45.27317  ? 746 ARG A CA   1 
ATOM   843  C C    . ARG A 1 151 ? -19.62932 -9.07648  -30.38243 1.000 48.19672  ? 746 ARG A C    1 
ATOM   844  O O    . ARG A 1 151 ? -20.31661 -8.82052  -31.38185 1.000 45.55256  ? 746 ARG A O    1 
ATOM   845  C CB   . ARG A 1 151 ? -19.99462 -7.58323  -28.46180 1.000 48.82648  ? 746 ARG A CB   1 
ATOM   846  C CG   . ARG A 1 151 ? -21.07685 -7.09248  -27.61608 1.000 54.35503  ? 746 ARG A CG   1 
ATOM   847  C CD   . ARG A 1 151 ? -20.93975 -5.59822  -27.58219 1.000 62.63278  ? 746 ARG A CD   1 
ATOM   848  N NE   . ARG A 1 151 ? -19.93605 -5.15648  -26.62595 1.000 63.68643  ? 746 ARG A NE   1 
ATOM   849  C CZ   . ARG A 1 151 ? -20.15827 -4.98631  -25.33084 1.000 71.66730  ? 746 ARG A CZ   1 
ATOM   850  N NH1  . ARG A 1 151 ? -21.35173 -5.21369  -24.79741 1.000 76.66465  ? 746 ARG A NH1  1 
ATOM   851  N NH2  . ARG A 1 151 ? -19.17540 -4.52075  -24.56169 1.000 66.01037  ? 746 ARG A NH2  1 
ATOM   852  N N    . ALA A 1 152 ? -18.36622 -9.46373  -30.46878 1.000 45.91104  ? 747 ALA A N    1 
ATOM   853  C CA   . ALA A 1 152 ? -17.68641 -9.52377  -31.74276 1.000 45.11561  ? 747 ALA A CA   1 
ATOM   854  C C    . ALA A 1 152 ? -17.83721 -10.88168 -32.40903 1.000 44.63983  ? 747 ALA A C    1 
ATOM   855  O O    . ALA A 1 152 ? -17.30366 -11.08574 -33.51189 1.000 43.49861  ? 747 ALA A O    1 
ATOM   856  C CB   . ALA A 1 152 ? -16.20001 -9.18045  -31.54654 1.000 44.40723  ? 747 ALA A CB   1 
ATOM   857  N N    . GLY A 1 153 ? -18.54125 -11.81097 -31.76088 1.000 44.90715  ? 748 GLY A N    1 
ATOM   858  C CA   . GLY A 1 153 ? -18.67969 -13.16253 -32.26572 1.000 41.19784  ? 748 GLY A CA   1 
ATOM   859  C C    . GLY A 1 153 ? -17.43952 -14.01164 -32.11303 1.000 44.99436  ? 748 GLY A C    1 
ATOM   860  O O    . GLY A 1 153 ? -17.35106 -15.07709 -32.72293 1.000 44.47468  ? 748 GLY A O    1 
ATOM   861  N N    . LYS A 1 154 ? -16.48231 -13.57975 -31.30044 1.000 40.59578  ? 749 LYS A N    1 
ATOM   862  C CA   . LYS A 1 154 ? -15.21638 -14.26628 -31.14674 1.000 42.51446  ? 749 LYS A CA   1 
ATOM   863  C C    . LYS A 1 154 ? -15.12989 -15.11497 -29.87419 1.000 48.32053  ? 749 LYS A C    1 
ATOM   864  O O    . LYS A 1 154 ? -14.03899 -15.59656 -29.54173 1.000 47.50327  ? 749 LYS A O    1 
ATOM   865  C CB   . LYS A 1 154 ? -14.08928 -13.23874 -31.18201 1.000 42.68974  ? 749 LYS A CB   1 
ATOM   866  C CG   . LYS A 1 154 ? -14.03548 -12.48849 -32.48659 1.000 42.76545  ? 749 LYS A CG   1 
ATOM   867  C CD   . LYS A 1 154 ? -12.73941 -11.72375 -32.61344 1.000 48.00062  ? 749 LYS A CD   1 
ATOM   868  C CE   . LYS A 1 154 ? -12.45209 -11.46093 -34.07448 1.000 54.30217  ? 749 LYS A CE   1 
ATOM   869  N NZ   . LYS A 1 154 ? -12.96079 -12.63093 -34.87667 1.000 51.94676  ? 749 LYS A NZ   1 
ATOM   870  N N    . PHE A 1 155 ? -16.23858 -15.33642 -29.16664 1.000 43.19519  ? 750 PHE A N    1 
ATOM   871  C CA   . PHE A 1 155 ? -16.20960 -16.05393 -27.89088 1.000 45.50192  ? 750 PHE A CA   1 
ATOM   872  C C    . PHE A 1 155 ? -16.72143 -17.47261 -28.08608 1.000 48.02116  ? 750 PHE A C    1 
ATOM   873  O O    . PHE A 1 155 ? -17.88328 -17.65951 -28.44617 1.000 51.73789  ? 750 PHE A O    1 
ATOM   874  C CB   . PHE A 1 155 ? -17.05599 -15.34118 -26.83531 1.000 51.73086  ? 750 PHE A CB   1 
ATOM   875  C CG   . PHE A 1 155 ? -17.01001 -15.98677 -25.48002 1.000 50.86035  ? 750 PHE A CG   1 
ATOM   876  C CD1  . PHE A 1 155 ? -17.76638 -17.11825 -25.20279 1.000 52.97391  ? 750 PHE A CD1  1 
ATOM   877  C CD2  . PHE A 1 155 ? -16.19851 -15.47131 -24.48626 1.000 56.12931  ? 750 PHE A CD2  1 
ATOM   878  C CE1  . PHE A 1 155 ? -17.71452 -17.71994 -23.95242 1.000 53.59326  ? 750 PHE A CE1  1 
ATOM   879  C CE2  . PHE A 1 155 ? -16.14023 -16.06714 -23.23851 1.000 61.70800  ? 750 PHE A CE2  1 
ATOM   880  C CZ   . PHE A 1 155 ? -16.89862 -17.19303 -22.97504 1.000 60.12554  ? 750 PHE A CZ   1 
ATOM   881  N N    . LYS A 1 156 ? -15.88169 -18.46809 -27.79738 1.000 44.69250  ? 751 LYS A N    1 
ATOM   882  C CA   . LYS A 1 156 ? -16.26663 -19.87526 -27.90338 1.000 46.90206  ? 751 LYS A CA   1 
ATOM   883  C C    . LYS A 1 156 ? -16.17254 -20.53014 -26.53222 1.000 52.02785  ? 751 LYS A C    1 
ATOM   884  O O    . LYS A 1 156 ? -15.08248 -20.60367 -25.95034 1.000 50.12166  ? 751 LYS A O    1 
ATOM   885  C CB   . LYS A 1 156 ? -15.37059 -20.62682 -28.89600 1.000 43.55475  ? 751 LYS A CB   1 
ATOM   886  C CG   . LYS A 1 156 ? -15.59394 -20.25291 -30.34690 1.000 46.36882  ? 751 LYS A CG   1 
ATOM   887  C CD   . LYS A 1 156 ? -17.07296 -20.35307 -30.68543 1.000 49.73455  ? 751 LYS A CD   1 
ATOM   888  C CE   . LYS A 1 156 ? -17.34092 -21.35554 -31.78647 1.000 50.82582  ? 751 LYS A CE   1 
ATOM   889  N NZ   . LYS A 1 156 ? -18.80158 -21.70481 -31.83629 1.000 55.78456  ? 751 LYS A NZ   1 
ATOM   890  N N    . ALA A 1 157 ? -17.29482 -21.05169 -26.04347 1.000 51.89407  ? 752 ALA A N    1 
ATOM   891  C CA   . ALA A 1 157 ? -17.31942 -21.71363 -24.74867 1.000 57.54235  ? 752 ALA A CA   1 
ATOM   892  C C    . ALA A 1 157 ? -16.70333 -23.10132 -24.83414 1.000 60.50775  ? 752 ALA A C    1 
ATOM   893  O O    . ALA A 1 157 ? -16.86140 -23.81048 -25.83225 1.000 55.28170  ? 752 ALA A O    1 
ATOM   894  C CB   . ALA A 1 157 ? -18.74884 -21.82746 -24.22829 1.000 60.39154  ? 752 ALA A CB   1 
ATOM   895  N N    . THR A 1 158 ? -15.98185 -23.47511 -23.78464 1.000 63.49362  ? 753 THR A N    1 
ATOM   896  C CA   . THR A 1 158 ? -15.58054 -24.85645 -23.55227 1.000 67.34866  ? 753 THR A CA   1 
ATOM   897  C C    . THR A 1 158 ? -15.90916 -25.19876 -22.10416 1.000 68.88626  ? 753 THR A C    1 
ATOM   898  O O    . THR A 1 158 ? -16.02502 -24.31270 -21.26121 1.000 70.27697  ? 753 THR A O    1 
ATOM   899  C CB   . THR A 1 158 ? -14.08550 -25.08247 -23.84109 1.000 65.54918  ? 753 THR A CB   1 
ATOM   900  O OG1  . THR A 1 158 ? -13.30914 -24.42184 -22.83656 1.000 72.06930  ? 753 THR A OG1  1 
ATOM   901  C CG2  . THR A 1 158 ? -13.71207 -24.52507 -25.19526 1.000 61.96056  ? 753 THR A CG2  1 
ATOM   902  N N    . GLN A 1 159 ? -16.07544 -26.48513 -21.81290 1.000 73.98088  ? 754 GLN A N    1 
ATOM   903  C CA   . GLN A 1 159 ? -16.51891 -26.92201 -20.49064 1.000 80.27513  ? 754 GLN A CA   1 
ATOM   904  C C    . GLN A 1 159 ? -15.36567 -27.51355 -19.67982 1.000 79.94736  ? 754 GLN A C    1 
ATOM   905  O O    . GLN A 1 159 ? -14.33003 -27.90467 -20.21948 1.000 76.77807  ? 754 GLN A O    1 
ATOM   906  C CB   . GLN A 1 159 ? -17.64700 -27.95599 -20.60394 1.000 77.50166  ? 754 GLN A CB   1 
ATOM   907  C CG   . GLN A 1 159 ? -19.00219 -27.39608 -21.02290 1.000 78.02109  ? 754 GLN A CG   1 
ATOM   908  C CD   . GLN A 1 159 ? -19.01214 -26.94052 -22.46156 1.000 74.70290  ? 754 GLN A CD   1 
ATOM   909  O OE1  . GLN A 1 159 ? -18.99237 -27.75693 -23.37658 1.000 73.97773  ? 754 GLN A OE1  1 
ATOM   910  N NE2  . GLN A 1 159 ? -19.05282 -25.62506 -22.66943 1.000 75.56367  ? 754 GLN A NE2  1 
ATOM   911  N N    . ARG A 1 160 ? -15.57103 -27.59844 -18.36727 1.000 81.74150  ? 755 ARG A N    1 
ATOM   912  C CA   . ARG A 1 160 ? -14.62201 -28.22738 -17.45842 1.000 82.78692  ? 755 ARG A CA   1 
ATOM   913  C C    . ARG A 1 160 ? -15.03165 -29.67639 -17.18418 1.000 84.28020  ? 755 ARG A C    1 
ATOM   914  O O    . ARG A 1 160 ? -16.14424 -30.09793 -17.50994 1.000 86.04890  ? 755 ARG A O    1 
ATOM   915  C CB   . ARG A 1 160 ? -14.54360 -27.42687 -16.15399 1.000 85.57092  ? 755 ARG A CB   1 
ATOM   916  C CG   . ARG A 1 160 ? -13.41720 -26.41179 -16.13979 1.000 88.45731  ? 755 ARG A CG   1 
ATOM   917  C CD   . ARG A 1 160 ? -13.18826 -25.80742 -14.75994 1.000 93.20376  ? 755 ARG A CD   1 
ATOM   918  N NE   . ARG A 1 160 ? -12.83519 -24.39421 -14.85804 1.000 98.72351  ? 755 ARG A NE   1 
ATOM   919  C CZ   . ARG A 1 160 ? -11.63468 -23.89632 -14.58849 1.000 100.65404 ? 755 ARG A CZ   1 
ATOM   920  N NH1  . ARG A 1 160 ? -10.63648 -24.67188 -14.19356 1.000 105.15221 ? 755 ARG A NH1  1 
ATOM   921  N NH2  . ARG A 1 160 ? -11.42809 -22.58842 -14.72631 1.000 98.62517  ? 755 ARG A NH2  1 
ATOM   922  N N    . THR A 1 161 ? -14.11517 -30.44251 -16.57264 1.000 86.87844  ? 756 THR A N    1 
ATOM   923  C CA   . THR A 1 161 ? -14.39037 -31.80570 -16.09892 1.000 88.85809  ? 756 THR A CA   1 
ATOM   924  C C    . THR A 1 161 ? -13.94680 -31.95025 -14.64831 1.000 91.97932  ? 756 THR A C    1 
ATOM   925  O O    . THR A 1 161 ? -12.74382 -31.99769 -14.36913 1.000 94.58457  ? 756 THR A O    1 
ATOM   926  C CB   . THR A 1 161 ? -13.67949 -32.85079 -16.95612 1.000 83.83701  ? 756 THR A CB   1 
ATOM   927  O OG1  . THR A 1 161 ? -13.73080 -32.45366 -18.32889 1.000 79.65725  ? 756 THR A OG1  1 
ATOM   928  C CG2  . THR A 1 161 ? -14.31595 -34.24478 -16.76842 1.000 84.40448  ? 756 THR A CG2  1 
ATOM   929  N N    . GLU A 1 162 ? -14.90608 -32.07248 -13.73427 1.000 92.77454  ? 757 GLU A N    1 
ATOM   930  C CA   . GLU A 1 162 ? -14.57841 -32.11724 -12.31751 1.000 95.15676  ? 757 GLU A CA   1 
ATOM   931  C C    . GLU A 1 162 ? -13.96670 -33.46941 -11.93699 1.000 96.75076  ? 757 GLU A C    1 
ATOM   932  O O    . GLU A 1 162 ? -14.06438 -34.45671 -12.67382 1.000 97.64446  ? 757 GLU A O    1 
ATOM   933  C CB   . GLU A 1 162 ? -15.82796 -31.83900 -11.47811 1.000 100.32570 ? 757 GLU A CB   1 
ATOM   934  N N    . GLY A 1 163 ? -13.29786 -33.49064 -10.77524 1.000 95.40730  ? 758 GLY A N    1 
ATOM   935  C CA   . GLY A 1 163 ? -12.83594 -34.71305 -10.13166 1.000 97.95666  ? 758 GLY A CA   1 
ATOM   936  C C    . GLY A 1 163 ? -11.55235 -35.32131 -10.66742 1.000 96.14935  ? 758 GLY A C    1 
ATOM   937  O O    . GLY A 1 163 ? -10.99405 -36.22307 -10.02759 1.000 99.01345  ? 758 GLY A O    1 
ATOM   938  N N    . VAL A 1 164 ? -11.05085 -34.85298 -11.80906 1.000 91.97387  ? 759 VAL A N    1 
ATOM   939  C CA   . VAL A 1 164 ? -9.95293  -35.52015 -12.49458 1.000 90.83610  ? 759 VAL A CA   1 
ATOM   940  C C    . VAL A 1 164 ? -8.57941  -35.02718 -12.04819 1.000 90.53646  ? 759 VAL A C    1 
ATOM   941  O O    . VAL A 1 164 ? -7.56163  -35.48423 -12.59227 1.000 89.79956  ? 759 VAL A O    1 
ATOM   942  C CB   . VAL A 1 164 ? -10.12283 -35.32333 -14.02041 1.000 87.39939  ? 759 VAL A CB   1 
ATOM   943  C CG1  . VAL A 1 164 ? -11.24039 -36.22015 -14.55979 1.000 90.48409  ? 759 VAL A CG1  1 
ATOM   944  C CG2  . VAL A 1 164 ? -10.42156 -33.85187 -14.34546 1.000 84.30966  ? 759 VAL A CG2  1 
ATOM   945  N N    . SER A 1 165 ? -8.51190  -34.13213 -11.06277 1.000 91.52234  ? 760 SER A N    1 
ATOM   946  C CA   . SER A 1 165 ? -7.34545  -33.27130 -10.91119 1.000 90.68338  ? 760 SER A CA   1 
ATOM   947  C C    . SER A 1 165 ? -6.27530  -33.86421 -9.99539  1.000 93.75083  ? 760 SER A C    1 
ATOM   948  O O    . SER A 1 165 ? -6.50736  -34.79172 -9.21588  1.000 96.99026  ? 760 SER A O    1 
ATOM   949  C CB   . SER A 1 165 ? -7.75184  -31.89421 -10.38008 1.000 90.95351  ? 760 SER A CB   1 
ATOM   950  O OG   . SER A 1 165 ? -7.71879  -31.85928 -8.96304  1.000 95.24713  ? 760 SER A OG   1 
ATOM   951  N N    . THR A 1 166 ? -5.08424  -33.27711 -10.10393 1.000 82.23964  ? 761 THR A N    1 
ATOM   952  C CA   . THR A 1 166 ? -3.94192  -33.66188 -9.28426  1.000 83.87442  ? 761 THR A CA   1 
ATOM   953  C C    . THR A 1 166 ? -4.27975  -33.60878 -7.79759  1.000 83.36857  ? 761 THR A C    1 
ATOM   954  O O    . THR A 1 166 ? -4.03273  -34.56358 -7.05172  1.000 83.10496  ? 761 THR A O    1 
ATOM   955  C CB   . THR A 1 166 ? -2.76599  -32.73434 -9.61624  1.000 82.65182  ? 761 THR A CB   1 
ATOM   956  O OG1  . THR A 1 166 ? -2.16337  -33.13419 -10.86405 1.000 71.25604  ? 761 THR A OG1  1 
ATOM   957  C CG2  . THR A 1 166 ? -1.72942  -32.74242 -8.49265  1.000 79.07016  ? 761 THR A CG2  1 
ATOM   958  N N    . THR A 1 167 ? -4.83983  -32.48637 -7.34979  1.000 84.36309  ? 762 THR A N    1 
ATOM   959  C CA   . THR A 1 167 ? -5.30067  -32.35662 -5.97117  1.000 84.10039  ? 762 THR A CA   1 
ATOM   960  C C    . THR A 1 167 ? -6.15661  -33.55166 -5.55603  1.000 82.54244  ? 762 THR A C    1 
ATOM   961  O O    . THR A 1 167 ? -5.86398  -34.24068 -4.57441  1.000 80.78979  ? 762 THR A O    1 
ATOM   962  C CB   . THR A 1 167 ? -6.08938  -31.05319 -5.82888  1.000 86.95761  ? 762 THR A CB   1 
ATOM   963  O OG1  . THR A 1 167 ? -5.33846  -29.97756 -6.41218  1.000 90.49222  ? 762 THR A OG1  1 
ATOM   964  C CG2  . THR A 1 167 ? -6.37126  -30.75565 -4.36898  1.000 84.46741  ? 762 THR A CG2  1 
ATOM   965  N N    . ASP A 1 168 ? -7.23400  -33.80523 -6.30036  1.000 84.40098  ? 763 ASP A N    1 
ATOM   966  C CA   . ASP A 1 168 ? -8.12618  -34.91690 -5.98587  1.000 83.77893  ? 763 ASP A CA   1 
ATOM   967  C C    . ASP A 1 168 ? -7.39461  -36.25179 -5.91148  1.000 81.07244  ? 763 ASP A C    1 
ATOM   968  O O    . ASP A 1 168 ? -7.87805  -37.18093 -5.25527  1.000 80.53971  ? 763 ASP A O    1 
ATOM   969  C CB   . ASP A 1 168 ? -9.23907  -35.01123 -7.03663  1.000 85.78576  ? 763 ASP A CB   1 
ATOM   970  C CG   . ASP A 1 168 ? -9.76875  -33.64834 -7.45994  1.000 89.12152  ? 763 ASP A CG   1 
ATOM   971  O OD1  . ASP A 1 168 ? -9.64594  -32.68571 -6.67313  1.000 89.87532  ? 763 ASP A OD1  1 
ATOM   972  O OD2  . ASP A 1 168 ? -10.32661 -33.54273 -8.57407  1.000 92.56166  ? 763 ASP A OD2  1 
ATOM   973  N N    . LEU A 1 169 ? -6.23882  -36.36679 -6.56249  1.000 80.90190  ? 764 LEU A N    1 
ATOM   974  C CA   . LEU A 1 169 ? -5.57933  -37.66064 -6.70126  1.000 77.91756  ? 764 LEU A CA   1 
ATOM   975  C C    . LEU A 1 169 ? -4.80218  -38.03910 -5.44137  1.000 77.36867  ? 764 LEU A C    1 
ATOM   976  O O    . LEU A 1 169 ? -4.81589  -39.20276 -5.02494  1.000 78.15083  ? 764 LEU A O    1 
ATOM   977  C CB   . LEU A 1 169 ? -4.67034  -37.62810 -7.93428  1.000 76.97228  ? 764 LEU A CB   1 
ATOM   978  C CG   . LEU A 1 169 ? -5.15349  -38.29304 -9.24067  1.000 76.26813  ? 764 LEU A CG   1 
ATOM   979  C CD1  . LEU A 1 169 ? -4.97606  -39.79661 -9.17590  1.000 66.85313  ? 764 LEU A CD1  1 
ATOM   980  C CD2  . LEU A 1 169 ? -6.61201  -37.94003 -9.58818  1.000 76.62318  ? 764 LEU A CD2  1 
ATOM   981  N N    . ILE A 1 170 ? -4.12947  -37.07313 -4.81359  1.000 76.07167  ? 765 ILE A N    1 
ATOM   982  C CA   . ILE A 1 170 ? -3.43347  -37.35671 -3.56211  1.000 77.78529  ? 765 ILE A CA   1 
ATOM   983  C C    . ILE A 1 170 ? -4.42823  -37.64436 -2.43876  1.000 78.35133  ? 765 ILE A C    1 
ATOM   984  O O    . ILE A 1 170 ? -4.14495  -38.43410 -1.52634  1.000 74.35707  ? 765 ILE A O    1 
ATOM   985  C CB   . ILE A 1 170 ? -2.49680  -36.18716 -3.21204  1.000 75.66501  ? 765 ILE A CB   1 
ATOM   986  C CG1  . ILE A 1 170 ? -2.04988  -36.27882 -1.75769  1.000 72.52315  ? 765 ILE A CG1  1 
ATOM   987  C CG2  . ILE A 1 170 ? -3.16878  -34.87495 -3.48297  1.000 79.16252  ? 765 ILE A CG2  1 
ATOM   988  C CD1  . ILE A 1 170 ? -1.14070  -37.45026 -1.50809  1.000 83.74490  ? 765 ILE A CD1  1 
ATOM   989  N N    . VAL A 1 171 ? -5.59970  -37.00751 -2.47318  1.000 77.09279  ? 766 VAL A N    1 
ATOM   990  C CA   . VAL A 1 171 ? -6.68719  -37.41947 -1.58915  1.000 77.78900  ? 766 VAL A CA   1 
ATOM   991  C C    . VAL A 1 171 ? -6.89411  -38.92346 -1.70698  1.000 79.37536  ? 766 VAL A C    1 
ATOM   992  O O    . VAL A 1 171 ? -6.93791  -39.65419 -0.71058  1.000 79.28291  ? 766 VAL A O    1 
ATOM   993  C CB   . VAL A 1 171 ? -7.97470  -36.64763 -1.93321  1.000 78.34741  ? 766 VAL A CB   1 
ATOM   994  C CG1  . VAL A 1 171 ? -8.90772  -36.64240 -0.76627  1.000 74.55734  ? 766 VAL A CG1  1 
ATOM   995  C CG2  . VAL A 1 171 ? -7.65508  -35.22510 -2.36945  1.000 79.12357  ? 766 VAL A CG2  1 
ATOM   996  N N    . ARG A 1 172 ? -6.99330  -39.40433 -2.94622  1.000 79.18456  ? 767 ARG A N    1 
ATOM   997  C CA   . ARG A 1 172 ? -7.14363  -40.82859 -3.20646  1.000 79.53221  ? 767 ARG A CA   1 
ATOM   998  C C    . ARG A 1 172 ? -6.06288  -41.63757 -2.49498  1.000 80.90859  ? 767 ARG A C    1 
ATOM   999  O O    . ARG A 1 172 ? -6.34805  -42.64998 -1.84599  1.000 84.59644  ? 767 ARG A O    1 
ATOM   1000 C CB   . ARG A 1 172 ? -7.11039  -41.05359 -4.71822  1.000 74.47612  ? 767 ARG A CB   1 
ATOM   1001 C CG   . ARG A 1 172 ? -7.43663  -42.44754 -5.15700  1.000 70.03998  ? 767 ARG A CG   1 
ATOM   1002 C CD   . ARG A 1 172 ? -7.28949  -42.59885 -6.66561  1.000 72.24343  ? 767 ARG A CD   1 
ATOM   1003 N NE   . ARG A 1 172 ? -8.42217  -42.04786 -7.40269  1.000 70.62884  ? 767 ARG A NE   1 
ATOM   1004 C CZ   . ARG A 1 172 ? -8.58648  -42.16990 -8.71323  1.000 72.02241  ? 767 ARG A CZ   1 
ATOM   1005 N NH1  . ARG A 1 172 ? -7.69695  -42.79678 -9.46674  1.000 72.01532  ? 767 ARG A NH1  1 
ATOM   1006 N NH2  . ARG A 1 172 ? -9.68200  -41.67549 -9.28029  1.000 74.08299  ? 767 ARG A NH2  1 
ATOM   1007 N N    . ILE A 1 173 ? -4.81177  -41.18979 -2.59065  1.000 79.59946  ? 768 ILE A N    1 
ATOM   1008 C CA   . ILE A 1 173 ? -3.71776  -41.89670 -1.93116  1.000 78.73415  ? 768 ILE A CA   1 
ATOM   1009 C C    . ILE A 1 173 ? -3.93055  -41.93309 -0.42638  1.000 85.49106  ? 768 ILE A C    1 
ATOM   1010 O O    . ILE A 1 173 ? -3.60638  -42.92326 0.24014   1.000 90.13692  ? 768 ILE A O    1 
ATOM   1011 C CB   . ILE A 1 173 ? -2.37025  -41.24145 -2.28245  1.000 79.81614  ? 768 ILE A CB   1 
ATOM   1012 C CG1  . ILE A 1 173 ? -2.20798  -41.12532 -3.80310  1.000 82.10773  ? 768 ILE A CG1  1 
ATOM   1013 C CG2  . ILE A 1 173 ? -1.22176  -41.99763 -1.63058  1.000 78.61116  ? 768 ILE A CG2  1 
ATOM   1014 C CD1  . ILE A 1 173 ? -0.77103  -41.11473 -4.25339  1.000 78.78971  ? 768 ILE A CD1  1 
ATOM   1015 N N    . LEU A 1 174 ? -4.46392  -40.85354 0.13663   1.000 84.30318  ? 769 LEU A N    1 
ATOM   1016 C CA   . LEU A 1 174 ? -4.46824  -40.73341 1.58801   1.000 86.82914  ? 769 LEU A CA   1 
ATOM   1017 C C    . LEU A 1 174 ? -5.62093  -41.50237 2.21890   1.000 89.92710  ? 769 LEU A C    1 
ATOM   1018 O O    . LEU A 1 174 ? -5.47031  -42.05223 3.31637   1.000 92.60156  ? 769 LEU A O    1 
ATOM   1019 C CB   . LEU A 1 174 ? -4.51474  -39.26392 1.97272   1.000 82.53345  ? 769 LEU A CB   1 
ATOM   1020 C CG   . LEU A 1 174 ? -3.14570  -38.63934 1.74701   1.000 79.27287  ? 769 LEU A CG   1 
ATOM   1021 C CD1  . LEU A 1 174 ? -3.08514  -37.27793 2.37711   1.000 82.67292  ? 769 LEU A CD1  1 
ATOM   1022 C CD2  . LEU A 1 174 ? -2.08424  -39.55214 2.31376   1.000 80.96285  ? 769 LEU A CD2  1 
ATOM   1023 N N    . LYS A 1 175 ? -6.77385  -41.55519 1.54011   1.000 91.67855  ? 770 LYS A N    1 
ATOM   1024 C CA   . LYS A 1 175 ? -7.87085  -42.39717 2.00675   1.000 95.19829  ? 770 LYS A CA   1 
ATOM   1025 C C    . LYS A 1 175 ? -7.38999  -43.81241 2.29679   1.000 97.63527  ? 770 LYS A C    1 
ATOM   1026 O O    . LYS A 1 175 ? -7.92287  -44.48074 3.19098   1.000 102.12603 ? 770 LYS A O    1 
ATOM   1027 C CB   . LYS A 1 175 ? -9.00087  -42.41655 0.97397   1.000 92.45702  ? 770 LYS A CB   1 
ATOM   1028 N N    . ASN A 1 176 ? -6.37932  -44.27696 1.55469   1.000 97.48963  ? 771 ASN A N    1 
ATOM   1029 C CA   . ASN A 1 176 ? -5.74193  -45.56161 1.83436   1.000 99.14417  ? 771 ASN A CA   1 
ATOM   1030 C C    . ASN A 1 176 ? -5.27831  -45.63759 3.29074   1.000 101.30123 ? 771 ASN A C    1 
ATOM   1031 O O    . ASN A 1 176 ? -5.52459  -46.63228 3.98412   1.000 103.86776 ? 771 ASN A O    1 
ATOM   1032 C CB   . ASN A 1 176 ? -4.57454  -45.76257 0.85213   1.000 97.96317  ? 771 ASN A CB   1 
ATOM   1033 C CG   . ASN A 1 176 ? -4.03759  -47.19616 0.82163   1.000 103.21744 ? 771 ASN A CG   1 
ATOM   1034 O OD1  . ASN A 1 176 ? -4.79587  -48.16345 0.71021   1.000 105.45104 ? 771 ASN A OD1  1 
ATOM   1035 N ND2  . ASN A 1 176 ? -2.70994  -47.32762 0.86539   1.000 102.70093 ? 771 ASN A ND2  1 
ATOM   1036 N N    . TYR A 1 177 ? -4.61021  -44.58791 3.77882   1.000 97.92477  ? 772 TYR A N    1 
ATOM   1037 C CA   . TYR A 1 177 ? -4.09898  -44.56625 5.14466   1.000 95.78060  ? 772 TYR A CA   1 
ATOM   1038 C C    . TYR A 1 177 ? -5.08900  -43.94780 6.13202   1.000 97.54010  ? 772 TYR A C    1 
ATOM   1039 O O    . TYR A 1 177 ? -4.67455  -43.30085 7.10310   1.000 93.46981  ? 772 TYR A O    1 
ATOM   1040 C CB   . TYR A 1 177 ? -2.74795  -43.84733 5.18031   1.000 91.47026  ? 772 TYR A CB   1 
ATOM   1041 C CG   . TYR A 1 177 ? -1.78629  -44.40266 4.14919   1.000 91.72181  ? 772 TYR A CG   1 
ATOM   1042 C CD1  . TYR A 1 177 ? -1.87495  -44.02783 2.81513   1.000 91.52135  ? 772 TYR A CD1  1 
ATOM   1043 C CD2  . TYR A 1 177 ? -0.82165  -45.33449 4.50017   1.000 90.64578  ? 772 TYR A CD2  1 
ATOM   1044 C CE1  . TYR A 1 177 ? -1.01074  -44.55275 1.86143   1.000 95.92934  ? 772 TYR A CE1  1 
ATOM   1045 C CE2  . TYR A 1 177 ? 0.04655   -45.86335 3.55778   1.000 91.89198  ? 772 TYR A CE2  1 
ATOM   1046 C CZ   . TYR A 1 177 ? -0.04852  -45.47311 2.23707   1.000 96.56242  ? 772 TYR A CZ   1 
ATOM   1047 O OH   . TYR A 1 177 ? 0.81447   -46.00656 1.29041   1.000 96.03499  ? 772 TYR A OH   1 
ATOM   1048 N N    . GLU A 1 178 ? -6.38799  -44.12364 5.88970   1.000 99.17838  ? 773 GLU A N    1 
ATOM   1049 C CA   . GLU A 1 178 ? -7.45452  -43.74859 6.81513   1.000 97.82039  ? 773 GLU A CA   1 
ATOM   1050 C C    . GLU A 1 178 ? -7.22895  -42.39116 7.46760   1.000 99.08675  ? 773 GLU A C    1 
ATOM   1051 O O    . GLU A 1 178 ? -7.54644  -42.19944 8.64087   1.000 99.39490  ? 773 GLU A O    1 
ATOM   1052 C CB   . GLU A 1 178 ? -7.61574  -44.83792 7.88709   1.000 104.09836 ? 773 GLU A CB   1 
ATOM   1053 C CG   . GLU A 1 178 ? -8.02978  -46.20561 7.30703   1.000 111.30180 ? 773 GLU A CG   1 
ATOM   1054 C CD   . GLU A 1 178 ? -6.95028  -47.28991 7.43573   1.000 108.98056 ? 773 GLU A CD   1 
ATOM   1055 O OE1  . GLU A 1 178 ? -6.21283  -47.30355 8.44854   1.000 102.57499 ? 773 GLU A OE1  1 
ATOM   1056 O OE2  . GLU A 1 178 ? -6.83284  -48.12509 6.50636   1.000 108.21957 ? 773 GLU A OE2  1 
HETATM 1057 C C02  . 9OI B 2 .   ? -15.94696 -14.31083 -35.57396 1.000 54.77247  ? 801 9OI A C02  1 
HETATM 1058 C C03  . 9OI B 2 .   ? -15.26197 -14.76621 -36.79623 1.000 58.93237  ? 801 9OI A C03  1 
HETATM 1059 C C04  . 9OI B 2 .   ? -15.90867 -15.12929 -37.96093 1.000 56.11952  ? 801 9OI A C04  1 
HETATM 1060 C C06  . 9OI B 2 .   ? -13.69581 -15.22003 -38.27021 1.000 59.74856  ? 801 9OI A C06  1 
HETATM 1061 N N01  . 9OI B 2 .   ? -15.82504 -12.93995 -35.48537 1.000 53.48669  ? 801 9OI A N01  1 
HETATM 1062 N N07  . 9OI B 2 .   ? -13.82964 -14.79664 -37.00245 1.000 60.10644  ? 801 9OI A N07  1 
HETATM 1063 O O05  . 9OI B 2 .   ? -14.92352 -15.44668 -38.90018 1.000 61.69363  ? 801 9OI A O05  1 
HETATM 1064 H H021 . 9OI B 2 .   ? -17.01649 -14.63848 -35.60434 1.000 65.78852  ? 801 9OI A H021 1 
HETATM 1065 H H022 . 9OI B 2 .   ? -15.50753 -14.83199 -34.68657 1.000 65.78852  ? 801 9OI A H022 1 
HETATM 1066 H H041 . 9OI B 2 .   ? -16.93405 -15.21462 -38.27911 1.000 67.40497  ? 801 9OI A H041 1 
HETATM 1067 H H061 . 9OI B 2 .   ? -12.79793 -15.40632 -38.85945 1.000 71.75982  ? 801 9OI A H061 1 
HETATM 1068 H H011 . 9OI B 2 .   ? -15.93877 -12.40334 -36.32389 1.000 64.24558  ? 801 9OI A H011 1 
HETATM 1069 H H012 . 9OI B 2 .   ? -15.62831 -12.54322 -34.58654 1.000 64.24558  ? 801 9OI A H012 1 
HETATM 1070 C C02  . 9OI C 2 .   ? -6.54495  -17.67823 -15.56503 1.000 66.94229  ? 802 9OI A C02  1 
HETATM 1071 C C03  . 9OI C 2 .   ? -6.34062  -16.70217 -16.65465 1.000 65.16309  ? 802 9OI A C03  1 
HETATM 1072 C C04  . 9OI C 2 .   ? -6.71141  -16.85151 -18.00295 1.000 66.41584  ? 802 9OI A C04  1 
HETATM 1073 C C06  . 9OI C 2 .   ? -5.74084  -14.93220 -17.69531 1.000 66.82918  ? 802 9OI A C06  1 
HETATM 1074 N N01  . 9OI C 2 .   ? -7.09395  -18.82647 -16.08107 1.000 72.13963  ? 802 9OI A N01  1 
HETATM 1075 N N07  . 9OI C 2 .   ? -5.73694  -15.49470 -16.48859 1.000 69.09365  ? 802 9OI A N07  1 
HETATM 1076 O O05  . 9OI C 2 .   ? -6.31891  -15.71308 -18.67334 1.000 67.38698  ? 802 9OI A O05  1 
HETATM 1077 H H021 . 9OI C 2 .   ? -5.56656  -17.87240 -15.05786 1.000 80.39229  ? 802 9OI A H021 1 
HETATM 1078 H H022 . 9OI C 2 .   ? -7.19510  -17.21939 -14.77830 1.000 80.39229  ? 802 9OI A H022 1 
HETATM 1079 H H041 . 9OI C 2 .   ? -7.20285  -17.61220 -18.58584 1.000 79.76055  ? 802 9OI A H041 1 
HETATM 1080 H H061 . 9OI C 2 .   ? -5.36034  -13.96223 -18.01542 1.000 80.25657  ? 802 9OI A H061 1 
HETATM 1081 H H011 . 9OI C 2 .   ? -7.03155  -19.66367 -15.53407 1.000 86.62911  ? 802 9OI A H011 1 
HETATM 1082 H H012 . 9OI C 2 .   ? -7.53170  -18.77432 -16.98088 1.000 86.62911  ? 802 9OI A H012 1 
HETATM 1083 O O    . HOH D 3 .   ? -20.28846 -20.61748 -30.26554 1.000 59.62130  ? 901 HOH A O    1 
HETATM 1084 O O    . HOH D 3 .   ? -7.44055  -24.30914 -22.10545 1.000 52.28244  ? 902 HOH A O    1 
HETATM 1085 O O    . HOH D 3 .   ? -18.026   -3.792    -27.306   1.000 54.52191  ? 903 HOH A O    1 
HETATM 1086 O O    . HOH D 3 .   ? -3.76922  -9.13266  -24.43196 1.000 50.74758  ? 904 HOH A O    1 
HETATM 1087 O O    . HOH D 3 .   ? -15.72101 -6.85343  -21.93701 1.000 64.92530  ? 905 HOH A O    1 
HETATM 1088 O O    . HOH D 3 .   ? 0.49787   -13.48094 -17.57201 1.000 50.56747  ? 906 HOH A O    1 
HETATM 1089 O O    . HOH D 3 .   ? -12.52117 -30.36868 -19.12543 1.000 63.79268  ? 907 HOH A O    1 
HETATM 1090 O O    . HOH D 3 .   ? -6.59191  -15.78891 -38.58345 1.000 51.62252  ? 908 HOH A O    1 
HETATM 1091 O O    . HOH D 3 .   ? -18.79342 -17.15783 -32.95093 1.000 46.20715  ? 909 HOH A O    1 
HETATM 1092 O O    . HOH D 3 .   ? -0.23345  -8.89457  -18.83546 1.000 55.05384  ? 910 HOH A O    1 
HETATM 1093 O O    . HOH D 3 .   ? -9.06683  -37.21432 -32.05187 1.000 48.32218  ? 911 HOH A O    1 
HETATM 1094 O O    . HOH D 3 .   ? 2.05366   -29.24797 -15.67227 1.000 49.18347  ? 912 HOH A O    1 
HETATM 1095 O O    . HOH D 3 .   ? -19.82704 -18.37611 -30.05083 1.000 53.26957  ? 913 HOH A O    1 
HETATM 1096 O O    . HOH D 3 .   ? 10.34535  -31.65960 -22.82120 1.000 49.28306  ? 914 HOH A O    1 
HETATM 1097 O O    . HOH D 3 .   ? -4.04159  -14.17999 -22.73063 1.000 49.19600  ? 915 HOH A O    1 
HETATM 1098 O O    . HOH D 3 .   ? -15.13451 -28.71185 -29.54001 1.000 46.01355  ? 916 HOH A O    1 
HETATM 1099 O O    . HOH D 3 .   ? 6.74741   -15.71577 -15.35615 1.000 57.87309  ? 917 HOH A O    1 
HETATM 1100 O O    . HOH D 3 .   ? 1.40937   -27.46524 -17.89108 1.000 45.86423  ? 918 HOH A O    1 
HETATM 1101 O O    . HOH D 3 .   ? -11.99351 -36.77896 -24.78535 1.000 54.27739  ? 919 HOH A O    1 
HETATM 1102 O O    . HOH D 3 .   ? -16.06873 -25.31567 -41.94044 1.000 73.57785  ? 920 HOH A O    1 
HETATM 1103 O O    . HOH D 3 .   ? 11.87303  -23.66006 -13.85826 1.000 54.61016  ? 921 HOH A O    1 
HETATM 1104 O O    . HOH D 3 .   ? -16.223   -9.153    -35.152   1.000 46.24365  ? 922 HOH A O    1 
HETATM 1105 O O    . HOH D 3 .   ? -2.59202  -30.55461 -33.22805 1.000 48.62500  ? 923 HOH A O    1 
HETATM 1106 O O    . HOH D 3 .   ? -18.37010 -23.26089 -28.13905 1.000 58.16629  ? 924 HOH A O    1 
HETATM 1107 O O    . HOH D 3 .   ? -19.02405 -14.95646 -29.43862 1.000 49.58234  ? 925 HOH A O    1 
HETATM 1108 O O    . HOH D 3 .   ? -12.30808 -24.83737 -40.21869 1.000 57.69221  ? 926 HOH A O    1 
HETATM 1109 O O    . HOH D 3 .   ? 3.02092   -11.43949 -18.91865 1.000 52.68118  ? 927 HOH A O    1 
HETATM 1110 O O    . HOH D 3 .   ? -15.86404 -26.52992 -39.26038 1.000 57.17756  ? 928 HOH A O    1 
HETATM 1111 O O    . HOH D 3 .   ? -16.50524 -5.91556  -29.51072 1.000 54.08748  ? 929 HOH A O    1 
HETATM 1112 O O    . HOH D 3 .   ? -3.40250  -6.69042  -21.54742 1.000 57.27779  ? 930 HOH A O    1 
HETATM 1113 O O    . HOH D 3 .   ? 9.61600   -24.41463 -21.35960 1.000 45.46963  ? 931 HOH A O    1 
HETATM 1114 O O    . HOH D 3 .   ? -1.45369  -25.58073 -37.44135 1.000 62.39519  ? 932 HOH A O    1 
HETATM 1115 O O    . HOH D 3 .   ? -9.60668  -29.47768 -35.73608 1.000 48.61817  ? 933 HOH A O    1 
HETATM 1116 O O    . HOH D 3 .   ? -18.96625 -19.96101 -34.29570 1.000 47.36865  ? 934 HOH A O    1 
HETATM 1117 O O    . HOH D 3 .   ? -12.89889 -32.95977 -24.89329 1.000 48.03411  ? 935 HOH A O    1 
HETATM 1118 O O    . HOH D 3 .   ? 10.98286  -27.04671 -24.66125 1.000 48.78599  ? 936 HOH A O    1 
HETATM 1119 O O    . HOH D 3 .   ? -4.25535  -24.63033 -13.63762 1.000 54.53075  ? 937 HOH A O    1 
HETATM 1120 O O    . HOH D 3 .   ? 3.29822   -18.12502 -31.92404 1.000 54.40156  ? 938 HOH A O    1 
HETATM 1121 O O    . HOH D 3 .   ? -2.60184  -7.86314  -19.24994 1.000 53.39477  ? 939 HOH A O    1 
HETATM 1122 O O    . HOH D 3 .   ? -14.65194 -24.15071 -41.04686 1.000 64.97637  ? 940 HOH A O    1 
HETATM 1123 O O    . HOH D 3 .   ? 6.85867   -13.59427 -14.24097 1.000 66.00676  ? 941 HOH A O    1 
HETATM 1124 O O    . HOH D 3 .   ? 3.42896   -31.76664 -15.39813 1.000 54.20802  ? 942 HOH A O    1 
HETATM 1125 O O    . HOH D 3 .   ? -7.51861  -29.27938 -37.23249 1.000 49.39767  ? 943 HOH A O    1 
HETATM 1126 O O    . HOH D 3 .   ? -9.36143  -24.42963 -23.55138 1.000 52.43016  ? 944 HOH A O    1 
HETATM 1127 O O    . HOH D 3 .   ? -3.83339  -12.16487 -24.68938 1.000 55.95772  ? 945 HOH A O    1 
HETATM 1128 O O    . HOH D 3 .   ? -1.51513  -7.48281  -25.06959 1.000 50.25164  ? 946 HOH A O    1 
HETATM 1129 O O    . HOH D 3 .   ? -0.91211  -31.95404 -35.49788 1.000 64.27228  ? 947 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . LYS A 39  ? 1.25945 1.05492 0.55053 0.08018  -0.10226 0.10795  616 LYS A N   
2    C CA  . LYS A 39  ? 1.13047 0.95304 0.49375 0.07244  -0.13024 0.07685  616 LYS A CA  
3    C C   . LYS A 39  ? 1.05656 0.90829 0.52264 0.06979  -0.09527 0.06677  616 LYS A C   
4    O O   . LYS A 39  ? 1.02489 0.90385 0.56620 0.06426  -0.11350 0.05048  616 LYS A O   
5    C CB  . LYS A 39  ? 1.20990 1.00897 0.50232 0.06537  -0.14246 0.03860  616 LYS A CB  
6    C CG  . LYS A 39  ? 1.22742 1.04670 0.57191 0.05396  -0.19346 0.01653  616 LYS A CG  
7    C CD  . LYS A 39  ? 1.29038 1.12261 0.63964 0.05497  -0.25263 0.04127  616 LYS A CD  
8    C CE  . LYS A 39  ? 1.29560 1.15499 0.70893 0.04076  -0.30238 0.01995  616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.19659 1.06805 0.67444 0.03161  -0.26989 -0.01027 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.98597 0.83336 0.45611 0.07244  -0.04606 0.07758  617 ASN A N   
11   C CA  . ASN A 40  ? 0.94915 0.82032 0.50238 0.06847  -0.01624 0.06527  617 ASN A CA  
12   C C   . ASN A 40  ? 0.86591 0.75684 0.50205 0.06932  -0.02111 0.08380  617 ASN A C   
13   O O   . ASN A 40  ? 0.94395 0.82315 0.57353 0.07385  -0.01922 0.11383  617 ASN A O   
14   C CB  . ASN A 40  ? 0.96690 0.82997 0.49888 0.06959  0.03531  0.06697  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.89445 0.78290 0.50917 0.06494  0.05874  0.05389  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.90238 0.79736 0.53426 0.06299  0.05685  0.02675  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.93237 0.83143 0.59611 0.06203  0.07812  0.07432  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.81875 0.73460 0.52840 0.06536  -0.02495 0.06564  618 VAL A N   
19   C CA  . VAL A 41  ? 0.75804 0.69004 0.54242 0.06793  -0.02967 0.07442  618 VAL A CA  
20   C C   . VAL A 41  ? 0.72552 0.66475 0.55189 0.06196  0.00334  0.06568  618 VAL A C   
21   O O   . VAL A 41  ? 0.65524 0.60445 0.48860 0.05627  0.01419  0.04457  618 VAL A O   
22   C CB  . VAL A 41  ? 0.71747 0.67457 0.54907 0.06848  -0.06106 0.06146  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.62444 0.59625 0.52866 0.07528  -0.05946 0.06826  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.77793 0.73172 0.57200 0.07196  -0.10165 0.07034  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.63475 0.56600 0.48939 0.06259  0.01596  0.08213  619 VAL A N   
26   C CA  . VAL A 42  ? 0.61661 0.55380 0.51113 0.05448  0.03942  0.07385  619 VAL A CA  
27   C C   . VAL A 42  ? 0.59377 0.54331 0.54133 0.05609  0.03016  0.05911  619 VAL A C   
28   O O   . VAL A 42  ? 0.56552 0.50796 0.53570 0.06451  0.01876  0.06703  619 VAL A O   
29   C CB  . VAL A 42  ? 0.62304 0.54135 0.52067 0.04963  0.05759  0.09662  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.55644 0.48347 0.49854 0.03850  0.07303  0.08553  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.63203 0.54056 0.47585 0.04868  0.07448  0.11441  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.51414 0.47997 0.48023 0.04977  0.03776  0.03915  620 ILE A N   
33   C CA  . ILE A 43  ? 0.50604 0.48323 0.51168 0.05044  0.03525  0.02483  620 ILE A CA  
34   C C   . ILE A 43  ? 0.53494 0.50642 0.55602 0.04171  0.05010  0.01900  620 ILE A C   
35   O O   . ILE A 43  ? 0.45681 0.43289 0.47104 0.03345  0.06024  0.01839  620 ILE A O   
36   C CB  . ILE A 43  ? 0.47822 0.47674 0.48995 0.04819  0.02875  0.00920  620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.52495 0.52865 0.51963 0.05201  0.00742  0.01243  620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.49290 0.50346 0.54152 0.04916  0.03255  -0.00136 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.52079 0.53348 0.54505 0.06229  -0.01029 0.02149  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.43853 0.40020 0.48149 0.04439  0.05022  0.01326  621 TYR A N   
41   C CA  . TYR A 44  ? 0.49287 0.44379 0.54412 0.03454  0.05735  0.00437  621 TYR A CA  
42   C C   . TYR A 44  ? 0.53419 0.49360 0.59222 0.03663  0.05923  -0.01411 621 TYR A C   
43   O O   . TYR A 44  ? 0.52161 0.48209 0.59138 0.04862  0.05996  -0.01880 621 TYR A O   
44   C CB  . TYR A 44  ? 0.49669 0.41449 0.55542 0.03373  0.05732  0.01118  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.51623 0.41794 0.58068 0.01961  0.05816  -0.00068 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.52057 0.43249 0.59083 0.00304  0.05894  0.00536  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.56098 0.43696 0.62526 0.02335  0.05728  -0.01847 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.50103 0.40115 0.58014 -0.01260 0.05192  -0.00453 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.56274 0.41817 0.62207 0.00818  0.05219  -0.03229 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.59914 0.46830 0.66770 -0.01139 0.04603  -0.02425 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.60768 0.46011 0.67548 -0.02897 0.03357  -0.03663 621 TYR A OH  
52   N N   . ALA A 45  ? 0.47391 0.44127 0.52625 0.02615  0.06124  -0.02184 622 ALA A N   
53   C CA  . ALA A 45  ? 0.53164 0.50077 0.57852 0.02568  0.06473  -0.03641 622 ALA A CA  
54   C C   . ALA A 45  ? 0.52965 0.48253 0.56553 0.01314  0.05986  -0.04302 622 ALA A C   
55   O O   . ALA A 45  ? 0.56501 0.52501 0.60808 0.00269  0.05398  -0.03470 622 ALA A O   
56   C CB  . ALA A 45  ? 0.51578 0.50985 0.56193 0.02417  0.06623  -0.03626 622 ALA A CB  
57   N N   . ASP A 46  ? 0.54389 0.47561 0.56292 0.01438  0.06202  -0.05846 623 ASP A N   
58   C CA  . ASP A 46  ? 0.58271 0.49423 0.58298 0.00037  0.05081  -0.06823 623 ASP A CA  
59   C C   . ASP A 46  ? 0.65627 0.56513 0.62100 0.00122  0.05441  -0.08152 623 ASP A C   
60   O O   . ASP A 46  ? 0.60142 0.51787 0.56015 0.01394  0.07165  -0.08521 623 ASP A O   
61   C CB  . ASP A 46  ? 0.62779 0.49803 0.62718 -0.00246 0.04644  -0.07725 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.70422 0.54616 0.68751 0.01488  0.06085  -0.09471 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.78346 0.63799 0.75155 0.02642  0.07550  -0.10260 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.66971 0.47444 0.65912 0.01712  0.05940  -0.09959 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.65070 0.55090 0.59321 -0.01326 0.03746  -0.08610 624 GLY A N   
66   C CA  . GLY A 47  ? 0.67705 0.57036 0.57277 -0.01377 0.03859  -0.09558 624 GLY A CA  
67   C C   . GLY A 47  ? 0.69960 0.58756 0.57724 -0.03182 0.00956  -0.09518 624 GLY A C   
68   O O   . GLY A 47  ? 0.65433 0.54904 0.56679 -0.04411 -0.00918 -0.08756 624 GLY A O   
69   N N   . VAL A 48  ? 0.72673 0.60335 0.54986 -0.03379 0.00562  -0.10172 625 VAL A N   
70   C CA  . VAL A 48  ? 0.69803 0.57241 0.50077 -0.05058 -0.02866 -0.09836 625 VAL A CA  
71   C C   . VAL A 48  ? 0.66646 0.58296 0.50866 -0.05088 -0.03711 -0.07078 625 VAL A C   
72   O O   . VAL A 48  ? 0.62590 0.55943 0.50175 -0.06215 -0.06423 -0.05956 625 VAL A O   
73   C CB  . VAL A 48  ? 0.74446 0.58442 0.46000 -0.05226 -0.03236 -0.11486 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.81410 0.64918 0.50359 -0.07165 -0.07809 -0.11124 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.78204 0.57406 0.45615 -0.04677 -0.01689 -0.14648 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.64944 0.58281 0.49405 -0.03844 -0.01397 -0.05927 626 TYR A N   
77   C CA  . TYR A 49  ? 0.62727 0.59042 0.50513 -0.03619 -0.01933 -0.03546 626 TYR A CA  
78   C C   . TYR A 49  ? 0.68419 0.64769 0.53955 -0.04508 -0.05129 -0.02376 626 TYR A C   
79   O O   . TYR A 49  ? 0.65065 0.63882 0.55222 -0.04615 -0.06908 -0.00625 626 TYR A O   
80   C CB  . TYR A 49  ? 0.59599 0.58386 0.54143 -0.03386 -0.01745 -0.02711 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.58271 0.56900 0.54254 -0.02484 0.00847  -0.03504 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.55615 0.54986 0.51747 -0.01504 0.02866  -0.03135 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.56835 0.54434 0.54218 -0.02744 0.00946  -0.04422 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.57141 0.56691 0.54883 -0.00743 0.04537  -0.03709 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.53489 0.50883 0.52059 -0.01772 0.02853  -0.04770 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.56722 0.55306 0.55463 -0.00741 0.04451  -0.04441 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.60414 0.59101 0.60613 0.00159  0.05666  -0.04639 626 TYR A OH  
88   N N   . ASP A 50  ? 0.65938 0.59514 0.44147 -0.04976 -0.05842 -0.03257 627 ASP A N   
89   C CA  . ASP A 50  ? 0.69054 0.62325 0.43733 -0.05750 -0.09190 -0.01862 627 ASP A CA  
90   C C   . ASP A 50  ? 0.78045 0.72406 0.52439 -0.04808 -0.08019 0.00779  627 ASP A C   
91   O O   . ASP A 50  ? 0.72037 0.65834 0.44836 -0.04026 -0.04521 0.00784  627 ASP A O   
92   C CB  . ASP A 50  ? 0.79394 0.68527 0.44721 -0.06597 -0.10329 -0.03936 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.85987 0.74580 0.48001 -0.08004 -0.15491 -0.03044 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.87023 0.79005 0.55570 -0.08289 -0.18264 -0.00801 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.95743 0.80508 0.48594 -0.08755 -0.16897 -0.04627 627 ASP A OD2 
96   N N   . MET A 51  ? 0.74959 0.71040 0.52014 -0.04875 -0.10966 0.03219  628 MET A N   
97   C CA  . MET A 51  ? 0.70734 0.67201 0.47978 -0.03993 -0.10422 0.06076  628 MET A CA  
98   C C   . MET A 51  ? 0.68767 0.65753 0.49449 -0.03009 -0.06258 0.06073  628 MET A C   
99   O O   . MET A 51  ? 0.73188 0.68752 0.50279 -0.02876 -0.03811 0.06642  628 MET A O   
100  C CB  . MET A 51  ? 0.77932 0.71499 0.45751 -0.04434 -0.11114 0.07063  628 MET A CB  
101  C CG  . MET A 51  ? 0.84761 0.76997 0.47274 -0.05660 -0.15564 0.06459  628 MET A CG  
102  S SD  . MET A 51  ? 1.21197 1.09321 0.70470 -0.06015 -0.15799 0.07590  628 MET A SD  
103  C CE  . MET A 51  ? 1.10279 0.95257 0.52580 -0.06040 -0.11134 0.03583  628 MET A CE  
104  N N   . LEU A 52  ? 0.66088 0.65205 0.53872 -0.02450 -0.05614 0.05557  629 LEU A N   
105  C CA  . LEU A 52  ? 0.66280 0.65724 0.57050 -0.01761 -0.02334 0.04939  629 LEU A CA  
106  C C   . LEU A 52  ? 0.68328 0.66793 0.58823 -0.01365 -0.01117 0.06904  629 LEU A C   
107  O O   . LEU A 52  ? 0.64572 0.62909 0.56614 -0.00890 -0.02725 0.09054  629 LEU A O   
108  C CB  . LEU A 52  ? 0.60109 0.61600 0.57439 -0.01130 -0.02289 0.04511  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.58148 0.59842 0.57587 -0.00690 0.00353  0.03095  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.57421 0.58842 0.55190 -0.01208 0.00972  0.01154  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.56176 0.59327 0.60858 0.00213  0.00505  0.03354  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.68808 0.66633 0.58185 -0.01561 0.01690  0.06331  630 HIS A N   
113  C CA  . HIS A 53  ? 0.73483 0.70208 0.63154 -0.01663 0.03074  0.08202  630 HIS A CA  
114  C C   . HIS A 53  ? 0.69597 0.67012 0.63095 -0.01733 0.05327  0.06952  630 HIS A C   
115  O O   . HIS A 53  ? 0.62040 0.60749 0.57362 -0.01487 0.05736  0.04880  630 HIS A O   
116  C CB  . HIS A 53  ? 0.77827 0.73059 0.61200 -0.02355 0.04031  0.09631  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.85460 0.81005 0.65488 -0.02617 0.06267  0.07634  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.85815 0.82542 0.68658 -0.02690 0.09249  0.06770  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.89361 0.84021 0.63812 -0.02686 0.05869  0.06188  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.89164 0.85964 0.68795 -0.02471 0.10927  0.05038  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.92877 0.87999 0.66940 -0.02469 0.09031  0.04452  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.70244 0.66582 0.65012 -0.02216 0.06475  0.08450  631 LEU A N   
123  C CA  . LEU A 54  ? 0.62706 0.59530 0.61493 -0.02642 0.07852  0.07463  631 LEU A CA  
124  C C   . LEU A 54  ? 0.64195 0.63162 0.63133 -0.02814 0.09389  0.05675  631 LEU A C   
125  O O   . LEU A 54  ? 0.57114 0.57139 0.59456 -0.02765 0.09424  0.04204  631 LEU A O   
126  C CB  . LEU A 54  ? 0.59541 0.54743 0.59246 -0.03703 0.08908  0.09641  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.63805 0.58905 0.68240 -0.04581 0.09474  0.08866  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.58984 0.53047 0.65654 -0.03635 0.07815  0.07024  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.60911 0.53778 0.66492 -0.05954 0.10277  0.11459  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.63599 0.62936 0.58567 -0.02835 0.10563  0.05732  632 GLY A N   
131  C CA  . GLY A 55  ? 0.67524 0.68603 0.62952 -0.02547 0.12297  0.04047  632 GLY A CA  
132  C C   . GLY A 55  ? 0.63652 0.65325 0.60458 -0.01730 0.10946  0.01924  632 GLY A C   
133  O O   . GLY A 55  ? 0.55404 0.58575 0.55548 -0.01452 0.11490  0.00871  632 GLY A O   
134  N N   . HIS A 56  ? 0.63546 0.64172 0.58092 -0.01432 0.09032  0.01552  633 HIS A N   
135  C CA  . HIS A 56  ? 0.51650 0.52740 0.47998 -0.00913 0.07900  0.00050  633 HIS A CA  
136  C C   . HIS A 56  ? 0.52620 0.54424 0.53027 -0.00712 0.07490  -0.00007 633 HIS A C   
137  O O   . HIS A 56  ? 0.54028 0.56561 0.56160 -0.00336 0.07601  -0.01062 633 HIS A O   
138  C CB  . HIS A 56  ? 0.55530 0.55873 0.50149 -0.01000 0.05795  0.00113  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.62201 0.61100 0.51571 -0.01398 0.05426  -0.00080 633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.68665 0.66620 0.54634 -0.01801 0.04553  0.01546  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.63592 0.61232 0.49821 -0.01409 0.05693  -0.01809 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.76406 0.72672 0.56651 -0.02133 0.04209  0.00728  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.69829 0.65688 0.50187 -0.01893 0.04958  -0.01531 633 HIS A NE2 
144  N N   . MET A 57  ? 0.51703 0.52801 0.53145 -0.00845 0.06904  0.01106  634 MET A N   
145  C CA  . MET A 57  ? 0.51577 0.52407 0.55717 -0.00517 0.06532  0.00630  634 MET A CA  
146  C C   . MET A 57  ? 0.48426 0.49820 0.54313 -0.00970 0.07127  -0.00135 634 MET A C   
147  O O   . MET A 57  ? 0.49374 0.50861 0.56146 -0.00628 0.06630  -0.01226 634 MET A O   
148  C CB  . MET A 57  ? 0.54506 0.53695 0.59361 -0.00398 0.06016  0.01876  634 MET A CB  
149  C CG  . MET A 57  ? 0.57748 0.56905 0.61586 0.00042  0.04933  0.03137  634 MET A CG  
150  S SD  . MET A 57  ? 0.59758 0.56712 0.65216 0.00615  0.04294  0.05005  634 MET A SD  
151  C CE  . MET A 57  ? 0.62734 0.60617 0.66936 0.00989  0.02295  0.06840  634 MET A CE  
152  N N   . LYS A 58  ? 0.48999 0.50905 0.55512 -0.01809 0.08117  0.00617  635 LYS A N   
153  C CA  . LYS A 58  ? 0.49609 0.52883 0.59137 -0.02400 0.08322  0.00094  635 LYS A CA  
154  C C   . LYS A 58  ? 0.55161 0.60237 0.65108 -0.01600 0.08377  -0.00985 635 LYS A C   
155  O O   . LYS A 58  ? 0.55875 0.61674 0.67717 -0.01566 0.07324  -0.01723 635 LYS A O   
156  C CB  . LYS A 58  ? 0.51292 0.55457 0.62488 -0.03543 0.09847  0.01509  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.51219 0.53363 0.63823 -0.04765 0.09410  0.02610  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.61755 0.63992 0.74035 -0.05720 0.11377  0.04863  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.66184 0.68967 0.83214 -0.07606 0.11858  0.05887  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.82836 0.85343 0.99063 -0.08599 0.14225  0.08649  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.51518 0.56845 0.59360 -0.00931 0.09341  -0.01102 636 GLN A N   
162  C CA  . GLN A 59  ? 0.52612 0.58819 0.60960 0.00011  0.09421  -0.02057 636 GLN A CA  
163  C C   . GLN A 59  ? 0.50748 0.56128 0.58639 0.00470  0.07846  -0.02643 636 GLN A C   
164  O O   . GLN A 59  ? 0.51515 0.57638 0.60844 0.00973  0.07239  -0.02974 636 GLN A O   
165  C CB  . GLN A 59  ? 0.58953 0.64347 0.64371 0.00571  0.10605  -0.02476 636 GLN A CB  
166  C CG  . GLN A 59  ? 0.72474 0.78867 0.77925 0.00635  0.12991  -0.02162 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.89284 0.94694 0.92452 0.01768  0.14335  -0.03407 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.93423 0.96378 0.92332 0.01740  0.13601  -0.04164 636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.93959 1.01166 1.00271 0.02790  0.16224  -0.03689 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.46914 0.50925 0.52959 0.00398  0.07266  -0.02513 637 LEU A N   
171  C CA  . LEU A 60  ? 0.46055 0.49486 0.51726 0.00840  0.06481  -0.02806 637 LEU A CA  
172  C C   . LEU A 60  ? 0.50564 0.53821 0.56836 0.00796  0.05771  -0.03188 637 LEU A C   
173  O O   . LEU A 60  ? 0.46474 0.49606 0.52046 0.01251  0.05214  -0.03476 637 LEU A O   
174  C CB  . LEU A 60  ? 0.44950 0.47693 0.49894 0.00852  0.06319  -0.02355 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.50080 0.52774 0.54073 0.00630  0.06127  -0.02159 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.52891 0.55714 0.57443 0.00553  0.05386  -0.01361 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.42918 0.45409 0.46906 0.00826  0.06144  -0.02636 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.47904 0.50617 0.54948 0.00149  0.05602  -0.03160 638 GLU A N   
179  C CA  . GLU A 61  ? 0.48645 0.50538 0.55943 -0.00245 0.04489  -0.03924 638 GLU A CA  
180  C C   . GLU A 61  ? 0.43832 0.47484 0.52624 -0.00391 0.03479  -0.04081 638 GLU A C   
181  O O   . GLU A 61  ? 0.42199 0.45238 0.49634 -0.00246 0.02038  -0.04732 638 GLU A O   
182  C CB  . GLU A 61  ? 0.44275 0.45109 0.53088 -0.01313 0.04415  -0.03698 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.50546 0.49263 0.58966 -0.01898 0.02966  -0.04942 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.52069 0.49483 0.62931 -0.03421 0.02628  -0.04621 638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.54575 0.53209 0.67510 -0.04042 0.03779  -0.03056 638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.55410 0.50183 0.65759 -0.04115 0.01220  -0.05939 638 GLU A OE2 
187  N N   . GLN A 62  ? 0.43991 0.49824 0.55469 -0.00533 0.04247  -0.03409 639 GLN A N   
188  C CA  . GLN A 62  ? 0.44561 0.52734 0.59071 -0.00414 0.03381  -0.03257 639 GLN A CA  
189  C C   . GLN A 62  ? 0.47060 0.54951 0.59859 0.00852  0.02678  -0.03297 639 GLN A C   
190  O O   . GLN A 62  ? 0.45655 0.53893 0.58591 0.00966  0.00675  -0.03321 639 GLN A O   
191  C CB  . GLN A 62  ? 0.47581 0.58120 0.65406 -0.00395 0.05257  -0.02525 639 GLN A CB  
192  C CG  . GLN A 62  ? 0.58213 0.71992 0.81225 -0.00378 0.04483  -0.02101 639 GLN A CG  
193  C CD  . GLN A 62  ? 0.65418 0.81860 0.92128 -0.00074 0.07159  -0.01355 639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.68194 0.83797 0.93074 -0.00467 0.09385  -0.01067 639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.65163 0.84880 0.97048 0.00788  0.07049  -0.00896 639 GLN A NE2 
196  N N   . ALA A 63  ? 0.47695 0.54604 0.58591 0.01648  0.04019  -0.03171 640 ALA A N   
197  C CA  . ALA A 63  ? 0.45933 0.51933 0.55204 0.02604  0.03485  -0.02880 640 ALA A CA  
198  C C   . ALA A 63  ? 0.49349 0.53861 0.55370 0.02491  0.02291  -0.02991 640 ALA A C   
199  O O   . ALA A 63  ? 0.50363 0.54693 0.55338 0.02990  0.00879  -0.02518 640 ALA A O   
200  C CB  . ALA A 63  ? 0.47162 0.51844 0.55073 0.02937  0.04902  -0.02841 640 ALA A CB  
201  N N   . LYS A 64  ? 0.46279 0.49523 0.50391 0.02017  0.02888  -0.03561 641 LYS A N   
202  C CA  . LYS A 64  ? 0.44183 0.45609 0.44540 0.02236  0.02512  -0.03955 641 LYS A CA  
203  C C   . LYS A 64  ? 0.54549 0.55625 0.53701 0.01879  0.00176  -0.04573 641 LYS A C   
204  O O   . LYS A 64  ? 0.56077 0.55577 0.50969 0.02297  -0.00578 -0.04674 641 LYS A O   
205  C CB  . LYS A 64  ? 0.45665 0.45813 0.45163 0.02142  0.03780  -0.04599 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.51894 0.49758 0.47271 0.02640  0.03983  -0.05487 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.48844 0.46427 0.41527 0.03474  0.05240  -0.04601 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.56771 0.51947 0.44805 0.04219  0.06336  -0.05620 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.64082 0.58847 0.48481 0.04902  0.07640  -0.04461 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.53389 0.46851 0.62635 -0.01702 -0.04523 -0.06656 642 LYS A N   
211  C CA  . LYS A 65  ? 0.51601 0.44801 0.61849 -0.02512 -0.07733 -0.07804 642 LYS A CA  
212  C C   . LYS A 65  ? 0.52226 0.47083 0.64971 -0.02817 -0.09647 -0.05640 642 LYS A C   
213  O O   . LYS A 65  ? 0.52244 0.47483 0.67809 -0.03673 -0.12611 -0.05960 642 LYS A O   
214  C CB  . LYS A 65  ? 0.44492 0.36666 0.59857 -0.03033 -0.08219 -0.08877 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.47467 0.37583 0.60571 -0.02683 -0.07063 -0.11448 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.48086 0.36832 0.67116 -0.03162 -0.07396 -0.12098 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.58090 0.44503 0.75006 -0.02532 -0.06202 -0.14726 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.52815 0.37470 0.75802 -0.02865 -0.06299 -0.15145 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.53624 0.49411 0.65795 -0.02153 -0.08175 -0.03446 643 LEU A N   
220  C CA  . LEU A 66  ? 0.48481 0.45788 0.63542 -0.02150 -0.09824 -0.01190 643 LEU A CA  
221  C C   . LEU A 66  ? 0.56522 0.54318 0.68156 -0.02762 -0.13324 -0.01625 643 LEU A C   
222  O O   . LEU A 66  ? 0.54665 0.53893 0.70015 -0.03250 -0.16137 -0.00464 643 LEU A O   
223  C CB  . LEU A 66  ? 0.53751 0.51221 0.68403 -0.01218 -0.07494 0.00863  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.48353 0.45693 0.66922 -0.00629 -0.04648 0.01453  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.48324 0.45051 0.65571 0.00187  -0.02398 0.02625  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.49235 0.48060 0.74768 -0.00646 -0.05486 0.02762  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.57645 0.54543 0.62192 -0.02721 -0.13239 -0.03176 644 PHE A N   
228  C CA  . PHE A 67  ? 0.59653 0.56947 0.59280 -0.03235 -0.16444 -0.03930 644 PHE A CA  
229  C C   . PHE A 67  ? 0.67524 0.63064 0.61707 -0.03436 -0.16457 -0.07629 644 PHE A C   
230  O O   . PHE A 67  ? 0.66941 0.61155 0.61017 -0.02984 -0.13654 -0.09088 644 PHE A O   
231  C CB  . PHE A 67  ? 0.65148 0.63429 0.60550 -0.02661 -0.16109 -0.01448 644 PHE A CB  
232  C CG  . PHE A 67  ? 0.59706 0.59262 0.60579 -0.02254 -0.16133 0.02027  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.55901 0.57229 0.59804 -0.02608 -0.19644 0.03800  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.56691 0.55629 0.60057 -0.01484 -0.12766 0.03370  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.58200 0.60693 0.67895 -0.01933 -0.19387 0.07054  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.60015 0.59644 0.68420 -0.00870 -0.12512 0.06166  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.57573 0.58989 0.69399 -0.00959 -0.15610 0.08100  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.69892 0.65464 0.59326 -0.04011 -0.19689 -0.09131 645 GLU A N   
239  C CA  . GLU A 68  ? 0.78172 0.71688 0.62200 -0.04109 -0.19986 -0.13239 645 GLU A CA  
240  C C   . GLU A 68  ? 0.82131 0.75054 0.60440 -0.02880 -0.16022 -0.13842 645 GLU A C   
241  O O   . GLU A 68  ? 0.83208 0.74291 0.60926 -0.02427 -0.14052 -0.16572 645 GLU A O   
242  C CB  . GLU A 68  ? 0.90830 0.84686 0.69636 -0.04913 -0.24363 -0.14597 645 GLU A CB  
243  C CG  . GLU A 68  ? 1.00512 0.92108 0.71674 -0.04732 -0.24496 -0.19062 645 GLU A CG  
244  C CD  . GLU A 68  ? 1.16838 1.08795 0.82172 -0.05665 -0.29320 -0.20574 645 GLU A CD  
245  O OE1 . GLU A 68  ? 1.26647 1.16109 0.89067 -0.06276 -0.31388 -0.25127 645 GLU A OE1 
246  O OE2 . GLU A 68  ? 1.21267 1.15915 0.84980 -0.05780 -0.31174 -0.17159 645 GLU A OE2 
247  N N   . ASN A 69  ? 0.79083 0.73649 0.53781 -0.02315 -0.14805 -0.11074 646 ASN A N   
248  C CA  . ASN A 69  ? 0.83378 0.78024 0.53022 -0.01292 -0.11171 -0.11005 646 ASN A CA  
249  C C   . ASN A 69  ? 0.77677 0.73459 0.51113 -0.00999 -0.08656 -0.07356 646 ASN A C   
250  O O   . ASN A 69  ? 0.76192 0.73287 0.49552 -0.01111 -0.09543 -0.04228 646 ASN A O   
251  C CB  . ASN A 69  ? 0.88000 0.83538 0.48813 -0.01008 -0.12092 -0.11036 646 ASN A CB  
252  C CG  . ASN A 69  ? 1.03611 0.97447 0.58863 -0.00987 -0.13554 -0.15589 646 ASN A CG  
253  O OD1 . ASN A 69  ? 1.06299 0.98082 0.63101 -0.00637 -0.11996 -0.18780 646 ASN A OD1 
254  N ND2 . ASN A 69  ? 1.01205 0.95728 0.49750 -0.01311 -0.16640 -0.15996 646 ASN A ND2 
255  N N   . THR A 70  ? 0.72212 0.67367 0.48990 -0.00638 -0.05719 -0.07763 647 THR A N   
256  C CA  . THR A 70  ? 0.70454 0.66240 0.50919 -0.00547 -0.03636 -0.04986 647 THR A CA  
257  C C   . THR A 70  ? 0.71742 0.67725 0.50788 -0.00007 -0.00217 -0.05192 647 THR A C   
258  O O   . THR A 70  ? 0.73143 0.68695 0.49794 0.00511  0.00911  -0.07588 647 THR A O   
259  C CB  . THR A 70  ? 0.68043 0.63293 0.55488 -0.00834 -0.03880 -0.04732 647 THR A CB  
260  O OG1 . THR A 70  ? 0.67137 0.61456 0.56431 -0.00649 -0.02499 -0.06877 647 THR A OG1 
261  C CG2 . THR A 70  ? 0.67993 0.63401 0.58019 -0.01370 -0.07160 -0.04701 647 THR A CG2 
262  N N   . THR A 71  ? 0.65946 0.62568 0.46875 -0.00128 0.01355  -0.02605 648 THR A N   
263  C CA  . THR A 71  ? 0.65465 0.62465 0.47875 0.00014  0.04164  -0.02319 648 THR A CA  
264  C C   . THR A 71  ? 0.57032 0.53416 0.44728 -0.00399 0.04221  -0.01427 648 THR A C   
265  O O   . THR A 71  ? 0.58831 0.54955 0.47935 -0.00712 0.03625  0.00533  648 THR A O   
266  C CB  . THR A 71  ? 0.63931 0.62225 0.43703 -0.00008 0.05865  -0.00017 648 THR A CB  
267  O OG1 . THR A 71  ? 0.66795 0.65927 0.40862 0.00616  0.06406  -0.00861 648 THR A OG1 
268  C CG2 . THR A 71  ? 0.62915 0.61830 0.45656 -0.00188 0.08221  0.00588  648 THR A CG2 
269  N N   . LEU A 72  ? 0.55717 0.51780 0.46189 -0.00276 0.04976  -0.02815 649 LEU A N   
270  C CA  . LEU A 72  ? 0.50554 0.46208 0.45016 -0.00554 0.05328  -0.02133 649 LEU A CA  
271  C C   . LEU A 72  ? 0.50556 0.46861 0.45460 -0.00872 0.07050  -0.01198 649 LEU A C   
272  O O   . LEU A 72  ? 0.53899 0.51147 0.48720 -0.00654 0.08264  -0.01838 649 LEU A O   
273  C CB  . LEU A 72  ? 0.50266 0.45533 0.47480 -0.00317 0.05149  -0.03548 649 LEU A CB  
274  C CG  . LEU A 72  ? 0.46745 0.41818 0.47181 -0.00455 0.05639  -0.02771 649 LEU A CG  
275  C CD1 . LEU A 72  ? 0.41652 0.36138 0.43114 -0.00539 0.04878  -0.01621 649 LEU A CD1 
276  C CD2 . LEU A 72  ? 0.48161 0.43147 0.51334 -0.00188 0.05597  -0.03550 649 LEU A CD2 
277  N N   . ILE A 73  ? 0.51955 0.47706 0.47812 -0.01393 0.07063  0.00303  650 ILE A N   
278  C CA  . ILE A 73  ? 0.51819 0.47794 0.48933 -0.02060 0.08112  0.01044  650 ILE A CA  
279  C C   . ILE A 73  ? 0.51816 0.46886 0.51117 -0.02169 0.07909  0.00361  650 ILE A C   
280  O O   . ILE A 73  ? 0.54184 0.47968 0.54288 -0.01899 0.07320  0.00354  650 ILE A O   
281  C CB  . ILE A 73  ? 0.55126 0.50517 0.51982 -0.02678 0.08185  0.02972  650 ILE A CB  
282  C CG1 . ILE A 73  ? 0.53305 0.49877 0.47244 -0.02434 0.08480  0.04087  650 ILE A CG1 
283  C CG2 . ILE A 73  ? 0.48641 0.44110 0.47371 -0.03703 0.08929  0.03578  650 ILE A CG2 
284  C CD1 . ILE A 73  ? 0.56251 0.52316 0.50204 -0.02985 0.08510  0.06682  650 ILE A CD1 
285  N N   . VAL A 74  ? 0.51916 0.47873 0.52182 -0.02464 0.08449  -0.00046 651 VAL A N   
286  C CA  . VAL A 74  ? 0.48883 0.44235 0.50228 -0.02553 0.08260  -0.00607 651 VAL A CA  
287  C C   . VAL A 74  ? 0.55323 0.50275 0.56971 -0.03636 0.08207  -0.00316 651 VAL A C   
288  O O   . VAL A 74  ? 0.54037 0.50410 0.56333 -0.04340 0.08430  0.00317  651 VAL A O   
289  C CB  . VAL A 74  ? 0.53263 0.49937 0.55507 -0.02041 0.08436  -0.01144 651 VAL A CB  
290  C CG1 . VAL A 74  ? 0.51268 0.47630 0.53881 -0.02056 0.08319  -0.01329 651 VAL A CG1 
291  C CG2 . VAL A 74  ? 0.50730 0.47180 0.53139 -0.01238 0.08218  -0.01652 651 VAL A CG2 
292  N N   . GLY A 75  ? 0.54278 0.47236 0.55733 -0.03780 0.07947  -0.00827 652 GLY A N   
293  C CA  . GLY A 75  ? 0.57801 0.49713 0.59336 -0.04934 0.07541  -0.01190 652 GLY A CA  
294  C C   . GLY A 75  ? 0.59941 0.52193 0.60524 -0.04940 0.07214  -0.02289 652 GLY A C   
295  O O   . GLY A 75  ? 0.55860 0.47547 0.55538 -0.03933 0.07661  -0.02862 652 GLY A O   
296  N N   . VAL A 76  ? 0.58395 0.51891 0.59357 -0.06099 0.06406  -0.02281 653 VAL A N   
297  C CA  . VAL A 76  ? 0.56390 0.50683 0.56001 -0.06273 0.05671  -0.03009 653 VAL A CA  
298  C C   . VAL A 76  ? 0.58571 0.50716 0.56875 -0.07606 0.04530  -0.04414 653 VAL A C   
299  O O   . VAL A 76  ? 0.57821 0.49892 0.57949 -0.09115 0.03643  -0.04118 653 VAL A O   
300  C CB  . VAL A 76  ? 0.55057 0.52835 0.56440 -0.06511 0.05190  -0.01819 653 VAL A CB  
301  C CG1 . VAL A 76  ? 0.56156 0.55040 0.55964 -0.06432 0.04341  -0.02025 653 VAL A CG1 
302  C CG2 . VAL A 76  ? 0.50620 0.49742 0.53423 -0.05235 0.06381  -0.00919 653 VAL A CG2 
303  N N   . THR A 77  ? 0.51902 0.49503 0.59190 -0.03780 -0.04169 -0.04233 654 THR A N   
304  C CA  . THR A 77  ? 0.57431 0.52180 0.64716 -0.03094 -0.05460 -0.07080 654 THR A CA  
305  C C   . THR A 77  ? 0.60834 0.56758 0.66183 -0.03809 -0.06829 -0.09137 654 THR A C   
306  O O   . THR A 77  ? 0.55028 0.54501 0.58393 -0.03355 -0.06231 -0.08748 654 THR A O   
307  C CB  . THR A 77  ? 0.59092 0.53199 0.65500 0.00200  -0.03903 -0.08771 654 THR A CB  
308  O OG1 . THR A 77  ? 0.62650 0.60415 0.66025 0.01772  -0.01824 -0.08411 654 THR A OG1 
309  C CG2 . THR A 77  ? 0.63668 0.56594 0.74240 0.00923  -0.03357 -0.06897 654 THR A CG2 
310  N N   . SER A 78  ? 0.59362 0.52023 0.65875 -0.05006 -0.09142 -0.11211 655 SER A N   
311  C CA  . SER A 78  ? 0.63359 0.57073 0.69284 -0.06282 -0.11431 -0.13150 655 SER A CA  
312  C C   . SER A 78  ? 0.69466 0.63763 0.69840 -0.03551 -0.11581 -0.16098 655 SER A C   
313  O O   . SER A 78  ? 0.68908 0.61739 0.66181 -0.00739 -0.09666 -0.17270 655 SER A O   
314  C CB  . SER A 78  ? 0.70926 0.60200 0.79996 -0.08637 -0.14277 -0.14659 655 SER A CB  
315  O OG  . SER A 78  ? 0.76838 0.60953 0.83591 -0.06499 -0.15082 -0.18310 655 SER A OG  
316  N N   . ASP A 79  ? 0.69771 0.66523 0.68979 -0.04385 -0.13883 -0.17099 656 ASP A N   
317  C CA  . ASP A 79  ? 0.77088 0.74105 0.69573 -0.02038 -0.14710 -0.19692 656 ASP A CA  
318  C C   . ASP A 79  ? 0.85288 0.76619 0.74006 -0.00820 -0.15900 -0.24215 656 ASP A C   
319  O O   . ASP A 79  ? 0.89288 0.79388 0.72076 0.02342  -0.13697 -0.25931 656 ASP A O   
320  C CB  . ASP A 79  ? 0.79207 0.79776 0.71911 -0.03394 -0.18125 -0.19802 656 ASP A CB  
321  C CG  . ASP A 79  ? 0.83186 0.89272 0.78225 -0.03224 -0.16511 -0.15898 656 ASP A CG  
322  O OD1 . ASP A 79  ? 0.80464 0.87357 0.72665 -0.01075 -0.13322 -0.14044 656 ASP A OD1 
323  O OD2 . ASP A 79  ? 0.83635 0.93243 0.83939 -0.05192 -0.18386 -0.14720 656 ASP A OD2 
324  N N   . ASN A 80  ? 0.82438 0.70056 0.74704 -0.03295 -0.19171 -0.26231 657 ASN A N   
325  C CA  . ASN A 80  ? 0.91263 0.72469 0.79713 -0.02184 -0.21023 -0.31331 657 ASN A CA  
326  C C   . ASN A 80  ? 0.96341 0.74132 0.83749 0.01035  -0.17239 -0.32122 657 ASN A C   
327  O O   . ASN A 80  ? 1.04359 0.79095 0.85326 0.04195  -0.16232 -0.36130 657 ASN A O   
328  C CB  . ASN A 80  ? 0.98879 0.76546 0.92990 -0.05914 -0.24774 -0.32096 657 ASN A CB  
329  C CG  . ASN A 80  ? 1.09680 0.90913 1.04179 -0.08427 -0.28108 -0.31799 657 ASN A CG  
330  O OD1 . ASN A 80  ? 1.11828 0.97650 1.02517 -0.07326 -0.28519 -0.31420 657 ASN A OD1 
331  N ND2 . ASN A 80  ? 1.11601 0.90709 1.10742 -0.11606 -0.30585 -0.31892 657 ASN A ND2 
332  N N   . GLU A 81  ? 0.88377 0.66926 0.81946 0.00470  -0.15047 -0.28331 658 GLU A N   
333  C CA  . GLU A 81  ? 0.89129 0.64640 0.83778 0.03417  -0.12220 -0.28900 658 GLU A CA  
334  C C   . GLU A 81  ? 0.92365 0.72144 0.83260 0.06862  -0.07826 -0.27944 658 GLU A C   
335  O O   . GLU A 81  ? 0.99119 0.76915 0.88002 0.10365  -0.05259 -0.30451 658 GLU A O   
336  C CB  . GLU A 81  ? 0.84588 0.59123 0.86892 0.01516  -0.12252 -0.24972 658 GLU A CB  
337  C CG  . GLU A 81  ? 0.86940 0.55149 0.93247 -0.01054 -0.15868 -0.26179 658 GLU A CG  
338  C CD  . GLU A 81  ? 0.84247 0.52110 0.96821 -0.03586 -0.16115 -0.21213 658 GLU A CD  
339  O OE1 . GLU A 81  ? 0.76943 0.50161 0.90100 -0.05275 -0.14927 -0.17281 658 GLU A OE1 
340  O OE2 . GLU A 81  ? 0.88517 0.50331 1.04927 -0.03835 -0.17611 -0.21256 658 GLU A OE2 
341  N N   . THR A 82  ? 0.83599 0.69148 0.73888 0.05998  -0.06694 -0.24350 659 THR A N   
342  C CA  . THR A 82  ? 0.86020 0.75465 0.72816 0.08740  -0.02754 -0.23032 659 THR A CA  
343  C C   . THR A 82  ? 0.97520 0.85766 0.75453 0.11450  -0.01986 -0.27036 659 THR A C   
344  O O   . THR A 82  ? 0.98453 0.87173 0.73831 0.14710  0.02020  -0.27856 659 THR A O   
345  C CB  . THR A 82  ? 0.79326 0.73908 0.66641 0.07107  -0.02497 -0.18864 659 THR A CB  
346  O OG1 . THR A 82  ? 0.71538 0.66607 0.65491 0.04603  -0.03243 -0.15801 659 THR A OG1 
347  C CG2 . THR A 82  ? 0.81549 0.79674 0.66733 0.09422  0.01584  -0.16658 659 THR A CG2 
348  N N   . LYS A 83  ? 0.95971 0.83040 0.69014 0.10108  -0.05779 -0.29417 660 LYS A N   
349  C CA  . LYS A 83  ? 1.05755 0.90937 0.68576 0.12446  -0.05929 -0.33583 660 LYS A CA  
350  C C   . LYS A 83  ? 1.13314 0.92527 0.74104 0.15033  -0.04771 -0.38781 660 LYS A C   
351  O O   . LYS A 83  ? 1.26651 1.05783 0.81411 0.17833  -0.00947 -0.39993 660 LYS A O   
352  C CB  . LYS A 83  ? 1.02020 0.86666 0.61376 0.10020  -0.11595 -0.35303 660 LYS A CB  
353  N N   . LEU A 84  ? 1.09289 0.83665 0.76347 0.13378  -0.07573 -0.40535 661 LEU A N   
354  C CA  . LEU A 84  ? 1.16765 0.85197 0.83602 0.15070  -0.06540 -0.44104 661 LEU A CA  
355  C C   . LEU A 84  ? 1.14104 0.83571 0.83705 0.19085  -0.00850 -0.43539 661 LEU A C   
356  O O   . LEU A 84  ? 1.18937 0.86188 0.84707 0.21817  0.02365  -0.46205 661 LEU A O   
357  C CB  . LEU A 84  ? 1.17457 0.80733 0.91566 0.12036  -0.10724 -0.44614 661 LEU A CB  
358  C CG  . LEU A 84  ? 1.26012 0.82224 0.98465 0.12121  -0.12153 -0.48671 661 LEU A CG  
359  C CD1 . LEU A 84  ? 1.28024 0.80236 1.09166 0.08792  -0.15780 -0.47293 661 LEU A CD1 
360  C CD2 . LEU A 84  ? 1.37004 0.90790 1.07521 0.16746  -0.07199 -0.51080 661 LEU A CD2 
361  N N   . PHE A 85  ? 1.14000 0.87498 0.91223 0.18911  0.00666  -0.39250 662 PHE A N   
362  C CA  . PHE A 85  ? 1.12398 0.87366 0.96043 0.21893  0.05031  -0.37663 662 PHE A CA  
363  C C   . PHE A 85  ? 1.10665 0.92868 0.92940 0.23792  0.10274  -0.34367 662 PHE A C   
364  O O   . PHE A 85  ? 1.16306 0.99761 0.99852 0.27631  0.15035  -0.35334 662 PHE A O   
365  C CB  . PHE A 85  ? 1.05467 0.80210 0.99751 0.19316  0.02816  -0.33455 662 PHE A CB  
366  C CG  . PHE A 85  ? 1.08536 0.75555 1.06168 0.18150  -0.01243 -0.36056 662 PHE A CG  
367  C CD1 . PHE A 85  ? 1.09341 0.70834 1.07412 0.21373  -0.00214 -0.40027 662 PHE A CD1 
368  C CD2 . PHE A 85  ? 1.05344 0.70905 1.05863 0.13518  -0.05658 -0.33736 662 PHE A CD2 
369  C CE1 . PHE A 85  ? 1.21780 0.76359 1.22844 0.19522  -0.03819 -0.40892 662 PHE A CE1 
370  C CE2 . PHE A 85  ? 1.01438 0.59658 1.05484 0.12019  -0.09338 -0.35502 662 PHE A CE2 
371  C CZ  . PHE A 85  ? 1.14844 0.67872 1.19030 0.14800  -0.08437 -0.38519 662 PHE A CZ  
372  N N   . LYS A 86  ? 1.07247 0.94245 0.87694 0.21258  0.09698  -0.30372 663 LYS A N   
373  C CA  . LYS A 86  ? 1.11019 1.04371 0.90829 0.22372  0.14208  -0.26548 663 LYS A CA  
374  C C   . LYS A 86  ? 1.15416 1.09870 0.83584 0.23568  0.15622  -0.27927 663 LYS A C   
375  O O   . LYS A 86  ? 1.14005 1.11010 0.79006 0.26016  0.20627  -0.27538 663 LYS A O   
376  C CB  . LYS A 86  ? 0.99762 0.96955 0.85661 0.18953  0.12669  -0.20905 663 LYS A CB  
377  C CG  . LYS A 86  ? 1.02313 1.04956 0.93623 0.19710  0.16804  -0.16492 663 LYS A CG  
378  C CD  . LYS A 86  ? 1.05777 1.11813 0.96462 0.17039  0.15998  -0.12123 663 LYS A CD  
379  C CE  . LYS A 86  ? 1.14087 1.20140 0.94629 0.17223  0.15582  -0.13026 663 LYS A CE  
380  N NZ  . LYS A 86  ? 1.06390 1.14863 0.86711 0.14902  0.14206  -0.08986 663 LYS A NZ  
381  N N   . GLY A 87  ? 1.18192 1.10917 0.80694 0.21303  0.11029  -0.28987 664 GLY A N   
382  C CA  . GLY A 87  ? 1.26955 1.20175 0.78426 0.21821  0.10949  -0.29825 664 GLY A CA  
383  C C   . GLY A 87  ? 1.29951 1.27227 0.80628 0.19733  0.09121  -0.25276 664 GLY A C   
384  O O   . GLY A 87  ? 1.29588 1.30951 0.85739 0.19213  0.11806  -0.20361 664 GLY A O   
385  N N   . GLN A 88  ? 1.32694 1.28692 0.77910 0.18185  0.04166  -0.26662 665 GLN A N   
386  C CA  . GLN A 88  ? 1.25231 1.24745 0.69352 0.16525  0.01950  -0.22550 665 GLN A CA  
387  C C   . GLN A 88  ? 1.19628 1.22223 0.74368 0.14334  0.02261  -0.17807 665 GLN A C   
388  O O   . GLN A 88  ? 1.19680 1.23719 0.79958 0.14787  0.06121  -0.15481 665 GLN A O   
389  C CB  . GLN A 88  ? 1.34569 1.36153 0.71416 0.17875  0.05204  -0.19594 665 GLN A CB  
390  C CG  . GLN A 88  ? 1.36423 1.41064 0.77166 0.19180  0.11445  -0.15914 665 GLN A CG  
391  C CD  . GLN A 88  ? 1.47327 1.51231 0.84073 0.20987  0.16106  -0.17436 665 GLN A CD  
392  O OE1 . GLN A 88  ? 1.53781 1.53989 0.85728 0.21725  0.15227  -0.22322 665 GLN A OE1 
393  N NE2 . GLN A 88  ? 1.45808 1.53273 0.85400 0.21518  0.21160  -0.13370 665 GLN A NE2 
394  N N   . VAL A 89  ? 1.06141 1.09822 0.63866 0.11998  -0.01922 -0.16555 666 VAL A N   
395  C CA  . VAL A 89  ? 0.95075 1.01561 0.60517 0.10280  -0.01644 -0.12275 666 VAL A CA  
396  C C   . VAL A 89  ? 0.91116 0.99960 0.53880 0.10047  -0.04252 -0.09985 666 VAL A C   
397  O O   . VAL A 89  ? 0.89897 0.98288 0.48309 0.09914  -0.08208 -0.12166 666 VAL A O   
398  C CB  . VAL A 89  ? 0.86761 0.92204 0.60423 0.07775  -0.03685 -0.13114 666 VAL A CB  
399  C CG1 . VAL A 89  ? 0.90050 0.95837 0.64435 0.05934  -0.08495 -0.14537 666 VAL A CG1 
400  C CG2 . VAL A 89  ? 0.76110 0.83428 0.56412 0.06642  -0.01843 -0.09365 666 VAL A CG2 
401  N N   . VAL A 90  ? 0.86882 0.97945 0.52439 0.10059  -0.02452 -0.05627 667 VAL A N   
402  C CA  . VAL A 90  ? 0.83112 0.96059 0.46646 0.10367  -0.04836 -0.03009 667 VAL A CA  
403  C C   . VAL A 90  ? 0.81774 0.96346 0.52941 0.08630  -0.07955 -0.02708 667 VAL A C   
404  O O   . VAL A 90  ? 0.78482 0.94608 0.48995 0.08605  -0.11893 -0.02879 667 VAL A O   
405  C CB  . VAL A 90  ? 0.87581 1.01388 0.50136 0.11425  -0.01473 0.01680  667 VAL A CB  
406  C CG1 . VAL A 90  ? 0.86095 1.01180 0.47096 0.11996  -0.04318 0.04695  667 VAL A CG1 
407  C CG2 . VAL A 90  ? 0.95616 1.08803 0.50686 0.13160  0.02209  0.01726  667 VAL A CG2 
408  N N   . GLN A 91  ? 0.68910 0.83465 0.47348 0.07234  -0.06283 -0.02180 668 GLN A N   
409  C CA  . GLN A 91  ? 0.66617 0.82980 0.51999 0.05748  -0.08129 -0.01935 668 GLN A CA  
410  C C   . GLN A 91  ? 0.66158 0.81784 0.54925 0.03679  -0.09467 -0.04934 668 GLN A C   
411  O O   . GLN A 91  ? 0.63121 0.76092 0.50725 0.03352  -0.08141 -0.06619 668 GLN A O   
412  C CB  . GLN A 91  ? 0.64387 0.80701 0.54414 0.05472  -0.05401 0.00587  668 GLN A CB  
413  C CG  . GLN A 91  ? 0.72678 0.89165 0.61133 0.07125  -0.04521 0.03910  668 GLN A CG  
414  C CD  . GLN A 91  ? 0.68725 0.83940 0.61422 0.06627  -0.02138 0.05658  668 GLN A CD  
415  O OE1 . GLN A 91  ? 0.61567 0.75077 0.54415 0.05908  0.00101  0.05883  668 GLN A OE1 
416  N NE2 . GLN A 91  ? 0.67428 0.83413 0.63935 0.07074  -0.02829 0.06644  668 GLN A NE2 
417  N N   . THR A 92  ? 0.59661 0.77779 0.53544 0.02295  -0.11998 -0.05247 669 THR A N   
418  C CA  . THR A 92  ? 0.60029 0.77656 0.58183 -0.00209 -0.13300 -0.07324 669 THR A CA  
419  C C   . THR A 92  ? 0.56953 0.73298 0.58812 -0.01537 -0.10180 -0.06296 669 THR A C   
420  O O   . THR A 92  ? 0.54170 0.70460 0.56070 -0.00706 -0.07487 -0.04288 669 THR A O   
421  C CB  . THR A 92  ? 0.58431 0.80192 0.62706 -0.01602 -0.16302 -0.07210 669 THR A CB  
422  O OG1 . THR A 92  ? 0.54536 0.79265 0.64038 -0.01322 -0.13954 -0.04677 669 THR A OG1 
423  C CG2 . THR A 92  ? 0.60843 0.84372 0.61932 -0.00349 -0.20319 -0.07726 669 THR A CG2 
424  N N   . LEU A 93  ? 0.56367 0.71333 0.61275 -0.03858 -0.11000 -0.07577 670 LEU A N   
425  C CA  . LEU A 93  ? 0.57769 0.71317 0.65371 -0.05359 -0.08604 -0.06262 670 LEU A CA  
426  C C   . LEU A 93  ? 0.48888 0.65692 0.59871 -0.05641 -0.06700 -0.04099 670 LEU A C   
427  O O   . LEU A 93  ? 0.49210 0.64731 0.59220 -0.05412 -0.04242 -0.02765 670 LEU A O   
428  C CB  . LEU A 93  ? 0.54782 0.66217 0.65404 -0.08050 -0.10104 -0.07322 670 LEU A CB  
429  C CG  . LEU A 93  ? 0.53976 0.63671 0.66688 -0.09924 -0.08094 -0.05397 670 LEU A CG  
430  C CD1 . LEU A 93  ? 0.47600 0.53996 0.56958 -0.08442 -0.06532 -0.04901 670 LEU A CD1 
431  C CD2 . LEU A 93  ? 0.50633 0.58061 0.66715 -0.12793 -0.09847 -0.05790 670 LEU A CD2 
432  N N   . GLU A 94  ? 0.49000 0.70039 0.64174 -0.05983 -0.07922 -0.03927 671 GLU A N   
433  C CA  . GLU A 94  ? 0.49978 0.74252 0.68921 -0.05746 -0.05558 -0.02295 671 GLU A CA  
434  C C   . GLU A 94  ? 0.47782 0.71284 0.63689 -0.03006 -0.04021 -0.01325 671 GLU A C   
435  O O   . GLU A 94  ? 0.46929 0.69587 0.62789 -0.02772 -0.01299 -0.00517 671 GLU A O   
436  C CB  . GLU A 94  ? 0.46866 0.76729 0.72597 -0.06285 -0.07200 -0.02191 671 GLU A CB  
437  C CG  . GLU A 94  ? 0.61343 0.92226 0.91602 -0.09606 -0.09044 -0.02847 671 GLU A CG  
438  C CD  . GLU A 94  ? 0.69855 0.97049 0.96430 -0.10233 -0.12913 -0.05090 671 GLU A CD  
439  O OE1 . GLU A 94  ? 0.71619 1.00195 0.97195 -0.09082 -0.16350 -0.06256 671 GLU A OE1 
440  O OE2 . GLU A 94  ? 0.74556 0.97127 0.98851 -0.11681 -0.12649 -0.05788 671 GLU A OE2 
441  N N   . GLU A 95  ? 0.45812 0.69079 0.58636 -0.01052 -0.05820 -0.01347 672 GLU A N   
442  C CA  . GLU A 95  ? 0.44974 0.67045 0.55295 0.01254  -0.04529 0.00171  672 GLU A CA  
443  C C   . GLU A 95  ? 0.49930 0.67972 0.56978 0.00915  -0.02202 0.00579  672 GLU A C   
444  O O   . GLU A 95  ? 0.52133 0.68816 0.59429 0.01486  -0.00412 0.01578  672 GLU A O   
445  C CB  . GLU A 95  ? 0.48376 0.70739 0.54952 0.03057  -0.06855 0.00611  672 GLU A CB  
446  C CG  . GLU A 95  ? 0.49952 0.76396 0.59833 0.03954  -0.09898 0.00953  672 GLU A CG  
447  C CD  . GLU A 95  ? 0.61407 0.87593 0.65509 0.05250  -0.12986 0.01083  672 GLU A CD  
448  O OE1 . GLU A 95  ? 0.63541 0.86736 0.61226 0.05145  -0.12525 0.00052  672 GLU A OE1 
449  O OE2 . GLU A 95  ? 0.66486 0.95564 0.72342 0.06563  -0.15856 0.02261  672 GLU A OE2 
450  N N   . ARG A 96  ? 0.50209 0.66166 0.54640 0.00074  -0.02470 -0.00317 673 ARG A N   
451  C CA  . ARG A 96  ? 0.51362 0.64321 0.54068 -0.00172 -0.00753 0.00333  673 ARG A CA  
452  C C   . ARG A 96  ? 0.50322 0.62078 0.54730 -0.01889 0.00369  0.00539  673 ARG A C   
453  O O   . ARG A 96  ? 0.52601 0.62305 0.56196 -0.01964 0.01433  0.01435  673 ARG A O   
454  C CB  . ARG A 96  ? 0.50294 0.61720 0.50980 -0.00219 -0.01199 -0.00831 673 ARG A CB  
455  C CG  . ARG A 96  ? 0.56504 0.68658 0.53478 0.01607  -0.01955 -0.01438 673 ARG A CG  
456  C CD  . ARG A 96  ? 0.58371 0.68628 0.52842 0.02207  -0.01566 -0.03127 673 ARG A CD  
457  N NE  . ARG A 96  ? 0.61833 0.71075 0.56190 0.01357  -0.03885 -0.05928 673 ARG A NE  
458  C CZ  . ARG A 96  ? 0.61766 0.68548 0.58369 0.00174  -0.04172 -0.07135 673 ARG A CZ  
459  N NH1 . ARG A 96  ? 0.57371 0.62912 0.56273 -0.00158 -0.02546 -0.05738 673 ARG A NH1 
460  N NH2 . ARG A 96  ? 0.61581 0.66836 0.58430 -0.00833 -0.06614 -0.09618 673 ARG A NH2 
461  N N   . THR A 97  ? 0.43933 0.56851 0.50440 -0.03484 0.00027  -0.00147 674 THR A N   
462  C CA  . THR A 97  ? 0.47275 0.59169 0.54061 -0.05178 0.01408  0.00307  674 THR A CA  
463  C C   . THR A 97  ? 0.50165 0.62927 0.57302 -0.04205 0.03231  0.00532  674 THR A C   
464  O O   . THR A 97  ? 0.48225 0.58431 0.52974 -0.04700 0.04435  0.00695  674 THR A O   
465  C CB  . THR A 97  ? 0.48122 0.61334 0.57387 -0.07329 0.00956  0.00082  674 THR A CB  
466  O OG1 . THR A 97  ? 0.52592 0.63599 0.61451 -0.08060 -0.00894 -0.00473 674 THR A OG1 
467  C CG2 . THR A 97  ? 0.47422 0.59800 0.55870 -0.09226 0.02899  0.01077  674 THR A CG2 
468  N N   . GLU A 98  ? 0.48781 0.64850 0.58879 -0.02682 0.03180  0.00370  675 GLU A N   
469  C CA  . GLU A 98  ? 0.47027 0.63752 0.58405 -0.01231 0.05127  0.00295  675 GLU A CA  
470  C C   . GLU A 98  ? 0.48849 0.61629 0.57380 0.00143  0.05366  0.00637  675 GLU A C   
471  O O   . GLU A 98  ? 0.47434 0.57962 0.54814 0.00547  0.07057  -0.00016 675 GLU A O   
472  C CB  . GLU A 98  ? 0.45385 0.66880 0.61978 0.00446  0.04498  0.00397  675 GLU A CB  
473  C CG  . GLU A 98  ? 0.47333 0.70106 0.66835 0.02317  0.06963  0.00063  675 GLU A CG  
474  C CD  . GLU A 98  ? 0.49686 0.78008 0.76046 0.04131  0.05970  0.00504  675 GLU A CD  
475  O OE1 . GLU A 98  ? 0.51999 0.83180 0.80296 0.03339  0.03025  0.00932  675 GLU A OE1 
476  O OE2 . GLU A 98  ? 0.48079 0.77791 0.78083 0.06446  0.07885  0.00264  675 GLU A OE2 
477  N N   . THR A 99  ? 0.48527 0.60205 0.55785 0.00774  0.03840  0.01597  676 THR A N   
478  C CA  . THR A 99  ? 0.52341 0.60316 0.57841 0.01389  0.04061  0.02469  676 THR A CA  
479  C C   . THR A 99  ? 0.55661 0.60198 0.58749 -0.00563 0.04420  0.01986  676 THR A C   
480  O O   . THR A 99  ? 0.52604 0.53841 0.54561 -0.00541 0.04933  0.01529  676 THR A O   
481  C CB  . THR A 99  ? 0.52668 0.60848 0.57260 0.02106  0.03009  0.04062  676 THR A CB  
482  O OG1 . THR A 99  ? 0.50305 0.61440 0.55873 0.03802  0.01965  0.04567  676 THR A OG1 
483  C CG2 . THR A 99  ? 0.52680 0.57423 0.56809 0.02383  0.03400  0.05694  676 THR A CG2 
484  N N   . LEU A 100 ? 0.49297 0.54148 0.51545 -0.02205 0.03720  0.02007  677 LEU A N   
485  C CA  . LEU A 100 ? 0.49470 0.51411 0.49671 -0.04082 0.03243  0.02010  677 LEU A CA  
486  C C   . LEU A 100 ? 0.56409 0.56482 0.53928 -0.04859 0.04256  0.00853  677 LEU A C   
487  O O   . LEU A 100 ? 0.57190 0.53724 0.51874 -0.05994 0.03498  0.00639  677 LEU A O   
488  C CB  . LEU A 100 ? 0.52227 0.54981 0.52679 -0.05348 0.02305  0.02272  677 LEU A CB  
489  C CG  . LEU A 100 ? 0.55131 0.57861 0.57018 -0.05008 0.01378  0.03145  677 LEU A CG  
490  C CD1 . LEU A 100 ? 0.57662 0.60413 0.60088 -0.05927 0.00466  0.02935  677 LEU A CD1 
491  C CD2 . LEU A 100 ? 0.52195 0.52662 0.54353 -0.05706 0.00661  0.04163  677 LEU A CD2 
492  N N   . LYS A 101 ? 0.51192 0.53809 0.49495 -0.04359 0.05945  0.00070  678 LYS A N   
493  C CA  . LYS A 101 ? 0.55274 0.56754 0.50716 -0.04649 0.07998  -0.01188 678 LYS A CA  
494  C C   . LYS A 101 ? 0.59058 0.56406 0.52228 -0.03461 0.08343  -0.02534 678 LYS A C   
495  O O   . LYS A 101 ? 0.61030 0.55484 0.49515 -0.03934 0.09545  -0.04085 678 LYS A O   
496  C CB  . LYS A 101 ? 0.53462 0.59833 0.52775 -0.03659 0.10169  -0.01510 678 LYS A CB  
497  C CG  . LYS A 101 ? 0.61639 0.68830 0.58909 -0.04276 0.13283  -0.02313 678 LYS A CG  
498  C CD  . LYS A 101 ? 0.62403 0.72470 0.63497 -0.01597 0.16049  -0.03572 678 LYS A CD  
499  C CE  . LYS A 101 ? 0.56590 0.72095 0.65443 -0.00342 0.14926  -0.02599 678 LYS A CE  
500  N NZ  . LYS A 101 ? 0.50215 0.69624 0.64255 0.02239  0.17787  -0.03484 678 LYS A NZ  
501  N N   . HIS A 102 ? 0.52624 0.49180 0.48550 -0.01939 0.07366  -0.02017 679 HIS A N   
502  C CA  . HIS A 102 ? 0.53153 0.45193 0.47941 -0.00746 0.07601  -0.03310 679 HIS A CA  
503  C C   . HIS A 102 ? 0.60799 0.48032 0.53366 -0.02575 0.05156  -0.02993 679 HIS A C   
504  O O   . HIS A 102 ? 0.63566 0.46048 0.55386 -0.02078 0.04696  -0.04112 679 HIS A O   
505  C CB  . HIS A 102 ? 0.50445 0.43670 0.49952 0.01900  0.07753  -0.02388 679 HIS A CB  
506  C CG  . HIS A 102 ? 0.54190 0.52011 0.57101 0.04012  0.09687  -0.02894 679 HIS A CG  
507  N ND1 . HIS A 102 ? 0.54085 0.50999 0.57573 0.06097  0.12086  -0.04992 679 HIS A ND1 
508  C CD2 . HIS A 102 ? 0.53138 0.56711 0.59679 0.04354  0.09444  -0.01700 679 HIS A CD2 
509  C CE1 . HIS A 102 ? 0.51230 0.54003 0.59672 0.07655  0.13395  -0.04666 679 HIS A CE1 
510  N NE2 . HIS A 102 ? 0.48920 0.55672 0.59191 0.06391  0.11464  -0.02670 679 HIS A NE2 
511  N N   . ILE A 103 ? 0.43991 0.48050 0.54563 0.02666  0.05027  0.01221  680 ILE A N   
512  C CA  . ILE A 103 ? 0.44463 0.47111 0.55127 0.01947  0.03706  0.00905  680 ILE A CA  
513  C C   . ILE A 103 ? 0.51252 0.51599 0.58816 0.02052  0.03242  -0.01181 680 ILE A C   
514  O O   . ILE A 103 ? 0.50347 0.51061 0.54869 0.02245  0.03920  -0.01723 680 ILE A O   
515  C CB  . ILE A 103 ? 0.47711 0.52355 0.58399 0.01130  0.03350  0.02143  680 ILE A CB  
516  C CG1 . ILE A 103 ? 0.43569 0.50391 0.56241 0.01019  0.03787  0.04113  680 ILE A CG1 
517  C CG2 . ILE A 103 ? 0.43559 0.47334 0.55008 0.00435  0.02052  0.01905  680 ILE A CG2 
518  C CD1 . ILE A 103 ? 0.38568 0.44771 0.54381 0.01124  0.03524  0.05261  680 ILE A CD1 
519  N N   . ARG A 104 ? 0.49823 0.47714 0.58075 0.01786  0.01916  -0.02217 681 ARG A N   
520  C CA  . ARG A 104 ? 0.53355 0.48525 0.58092 0.01897  0.01091  -0.04533 681 ARG A CA  
521  C C   . ARG A 104 ? 0.54172 0.50127 0.55860 0.01286  0.00288  -0.04462 681 ARG A C   
522  O O   . ARG A 104 ? 0.57586 0.52376 0.54880 0.01626  0.00430  -0.05763 681 ARG A O   
523  C CB  . ARG A 104 ? 0.54972 0.47329 0.61710 0.01305  -0.00851 -0.05512 681 ARG A CB  
524  C CG  . ARG A 104 ? 0.59898 0.48612 0.62728 0.01540  -0.01930 -0.08473 681 ARG A CG  
525  C CD  . ARG A 104 ? 0.61726 0.47790 0.67183 0.00414  -0.04556 -0.09228 681 ARG A CD  
526  N NE  . ARG A 104 ? 0.63004 0.48086 0.73356 0.00595  -0.04181 -0.08441 681 ARG A NE  
527  C CZ  . ARG A 104 ? 0.70516 0.52742 0.80777 0.01894  -0.03256 -0.10131 681 ARG A CZ  
528  N NH1 . ARG A 104 ? 0.65124 0.45453 0.70389 0.03225  -0.02203 -0.12892 681 ARG A NH1 
529  N NH2 . ARG A 104 ? 0.63452 0.44709 0.78840 0.01971  -0.03254 -0.08901 681 ARG A NH2 
530  N N   . TRP A 105 ? 0.44516 0.42387 0.48467 0.00491  -0.00502 -0.02869 682 TRP A N   
531  C CA  . TRP A 105 ? 0.53316 0.51548 0.55529 -0.00009 -0.01784 -0.02740 682 TRP A CA  
532  C C   . TRP A 105 ? 0.52171 0.51584 0.51658 0.00379  -0.00534 -0.02159 682 TRP A C   
533  O O   . TRP A 105 ? 0.54381 0.53430 0.51491 0.00181  -0.01536 -0.02131 682 TRP A O   
534  C CB  . TRP A 105 ? 0.42106 0.42170 0.48554 -0.00736 -0.02761 -0.01252 682 TRP A CB  
535  C CG  . TRP A 105 ? 0.49201 0.48625 0.59447 -0.01284 -0.03440 -0.01079 682 TRP A CG  
536  C CD1 . TRP A 105 ? 0.45084 0.46170 0.59027 -0.01417 -0.02407 0.00574  682 TRP A CD1 
537  C CD2 . TRP A 105 ? 0.51407 0.48026 0.61987 -0.01880 -0.05434 -0.02541 682 TRP A CD2 
538  N NE1 . TRP A 105 ? 0.46489 0.46095 0.63589 -0.02108 -0.03522 0.00612  682 TRP A NE1 
539  C CE2 . TRP A 105 ? 0.51126 0.47813 0.66446 -0.02438 -0.05487 -0.01464 682 TRP A CE2 
540  C CE3 . TRP A 105 ? 0.54375 0.48256 0.61391 -0.02073 -0.07333 -0.04661 682 TRP A CE3 
541  C CZ2 . TRP A 105 ? 0.51208 0.45063 0.68513 -0.03258 -0.07429 -0.02494 682 TRP A CZ2 
542  C CZ3 . TRP A 105 ? 0.53894 0.44902 0.62212 -0.02820 -0.09362 -0.06077 682 TRP A CZ3 
543  C CH2 . TRP A 105 ? 0.59465 0.50366 0.73258 -0.03452 -0.09447 -0.05013 682 TRP A CH2 
544  N N   . VAL A 106 ? 0.49709 0.50365 0.49656 0.00841  0.01386  -0.01588 683 VAL A N   
545  C CA  . VAL A 106 ? 0.48399 0.50294 0.46894 0.00903  0.02453  -0.00769 683 VAL A CA  
546  C C   . VAL A 106 ? 0.58404 0.59286 0.53032 0.01264  0.03350  -0.01479 683 VAL A C   
547  O O   . VAL A 106 ? 0.60070 0.60709 0.54401 0.01902  0.04689  -0.02229 683 VAL A O   
548  C CB  . VAL A 106 ? 0.49011 0.52835 0.49959 0.01001  0.03712  0.00188  683 VAL A CB  
549  C CG1 . VAL A 106 ? 0.48759 0.53498 0.48468 0.00873  0.04685  0.00803  683 VAL A CG1 
550  C CG2 . VAL A 106 ? 0.48680 0.53685 0.52341 0.00675  0.03121  0.01042  683 VAL A CG2 
551  N N   . ASP A 107 ? 0.56538 0.56967 0.48352 0.00970  0.02800  -0.01046 684 ASP A N   
552  C CA  . ASP A 107 ? 0.61387 0.61162 0.49027 0.01212  0.03919  -0.01232 684 ASP A CA  
553  C C   . ASP A 107 ? 0.63114 0.64539 0.51343 0.01001  0.05637  0.00269  684 ASP A C   
554  O O   . ASP A 107 ? 0.54059 0.56109 0.41058 0.01361  0.07616  0.00276  684 ASP A O   
555  C CB  . ASP A 107 ? 0.60168 0.58375 0.43937 0.00889  0.02122  -0.01210 684 ASP A CB  
556  C CG  . ASP A 107 ? 0.67688 0.64105 0.50590 0.00861  0.00056  -0.02866 684 ASP A CG  
557  O OD1 . ASP A 107 ? 0.66632 0.62680 0.49851 0.00338  -0.02371 -0.02412 684 ASP A OD1 
558  O OD2 . ASP A 107 ? 0.65336 0.60670 0.47755 0.01356  0.00716  -0.04596 684 ASP A OD2 
559  N N   . GLU A 108 ? 0.57544 0.59658 0.47857 0.00428  0.04968  0.01489  685 GLU A N   
560  C CA  . GLU A 108 ? 0.52483 0.55709 0.43720 -0.00069 0.06117  0.02825  685 GLU A CA  
561  C C   . GLU A 108 ? 0.53084 0.57145 0.47822 -0.00393 0.05518  0.03073  685 GLU A C   
562  O O   . GLU A 108 ? 0.53633 0.57307 0.49400 -0.00224 0.04300  0.02659  685 GLU A O   
563  C CB  . GLU A 108 ? 0.58335 0.60501 0.46915 -0.00560 0.05764  0.04139  685 GLU A CB  
564  C CG  . GLU A 108 ? 0.67410 0.68287 0.51260 -0.00240 0.05565  0.03819  685 GLU A CG  
565  C CD  . GLU A 108 ? 0.74021 0.74170 0.54987 -0.00797 0.05557  0.05766  685 GLU A CD  
566  O OE1 . GLU A 108 ? 0.81068 0.81312 0.64475 -0.01445 0.05389  0.07253  685 GLU A OE1 
567  O OE2 . GLU A 108 ? 0.71468 0.70727 0.47555 -0.00614 0.05636  0.05824  685 GLU A OE2 
568  N N   . ILE A 109 ? 0.48994 0.54362 0.45582 -0.00873 0.06386  0.03725  686 ILE A N   
569  C CA  . ILE A 109 ? 0.50193 0.56051 0.49095 -0.01239 0.05667  0.03693  686 ILE A CA  
570  C C   . ILE A 109 ? 0.53536 0.58918 0.52883 -0.02177 0.05542  0.04592  686 ILE A C   
571  O O   . ILE A 109 ? 0.50666 0.56675 0.50100 -0.02749 0.06498  0.05612  686 ILE A O   
572  C CB  . ILE A 109 ? 0.48550 0.56289 0.49675 -0.01100 0.06049  0.03458  686 ILE A CB  
573  C CG1 . ILE A 109 ? 0.50109 0.57752 0.51324 -0.00280 0.05923  0.02745  686 ILE A CG1 
574  C CG2 . ILE A 109 ? 0.48043 0.56165 0.50364 -0.01595 0.05196  0.03370  686 ILE A CG2 
575  C CD1 . ILE A 109 ? 0.41828 0.51073 0.45347 0.00002  0.06214  0.02923  686 ILE A CD1 
576  N N   . ILE A 110 ? 0.50781 0.54947 0.50600 -0.02299 0.04472  0.04228  687 ILE A N   
577  C CA  . ILE A 110 ? 0.55218 0.58326 0.55964 -0.03235 0.03987  0.04653  687 ILE A CA  
578  C C   . ILE A 110 ? 0.53855 0.57732 0.55847 -0.03464 0.03468  0.03599  687 ILE A C   
579  O O   . ILE A 110 ? 0.51476 0.55038 0.53020 -0.02726 0.03094  0.02495  687 ILE A O   
580  C CB  . ILE A 110 ? 0.55906 0.56408 0.56026 -0.02989 0.03088  0.04828  687 ILE A CB  
581  C CG1 . ILE A 110 ? 0.59709 0.59574 0.57965 -0.02920 0.03288  0.06236  687 ILE A CG1 
582  C CG2 . ILE A 110 ? 0.55077 0.53824 0.56506 -0.03950 0.02422  0.04978  687 ILE A CG2 
583  C CD1 . ILE A 110 ? 0.58407 0.56125 0.56215 -0.02314 0.02066  0.06615  687 ILE A CD1 
584  N N   . SER A 111 ? 0.47641 0.52753 0.51172 -0.04503 0.03427  0.04052  688 SER A N   
585  C CA  . SER A 111 ? 0.49423 0.55586 0.53592 -0.04788 0.02610  0.03179  688 SER A CA  
586  C C   . SER A 111 ? 0.52782 0.58868 0.58758 -0.06396 0.01628  0.03519  688 SER A C   
587  O O   . SER A 111 ? 0.50600 0.58655 0.58882 -0.07187 0.02121  0.04914  688 SER A O   
588  C CB  . SER A 111 ? 0.54224 0.63101 0.59146 -0.04227 0.03209  0.03545  688 SER A CB  
589  O OG  . SER A 111 ? 0.50491 0.60864 0.56375 -0.04819 0.02179  0.03419  688 SER A OG  
590  N N   . PRO A 112 ? 0.55785 0.59658 0.61057 -0.06921 0.00245  0.02194  689 PRO A N   
591  C CA  . PRO A 112 ? 0.57447 0.59405 0.60270 -0.05705 0.00123  0.00460  689 PRO A CA  
592  C C   . PRO A 112 ? 0.55077 0.54501 0.57605 -0.04988 0.00566  0.00622  689 PRO A C   
593  O O   . PRO A 112 ? 0.54006 0.52611 0.57678 -0.05733 0.00637  0.02044  689 PRO A O   
594  C CB  . PRO A 112 ? 0.60667 0.61015 0.62726 -0.06563 -0.01499 -0.01240 689 PRO A CB  
595  C CG  . PRO A 112 ? 0.57144 0.56925 0.61877 -0.08463 -0.02503 -0.00212 689 PRO A CG  
596  C CD  . PRO A 112 ? 0.51172 0.54344 0.58172 -0.08717 -0.01318 0.02101  689 PRO A CD  
597  N N   . CYS A 113 ? 0.56075 0.54577 0.57338 -0.03549 0.00890  -0.00527 690 CYS A N   
598  C CA  . CYS A 113 ? 0.60657 0.56863 0.62192 -0.02652 0.00958  -0.00408 690 CYS A CA  
599  C C   . CYS A 113 ? 0.59327 0.52522 0.60619 -0.02158 0.00366  -0.02341 690 CYS A C   
600  O O   . CYS A 113 ? 0.59029 0.52311 0.58911 -0.02108 0.00221  -0.04148 690 CYS A O   
601  C CB  . CYS A 113 ? 0.55172 0.52918 0.56475 -0.01219 0.01776  -0.00170 690 CYS A CB  
602  S SG  . CYS A 113 ? 0.57488 0.56731 0.57918 -0.00078 0.02509  -0.01859 690 CYS A SG  
603  N N   . PRO A 114 ? 0.66604 0.56925 0.69017 -0.01653 -0.00011 -0.02074 691 PRO A N   
604  C CA  . PRO A 114 ? 0.64872 0.52024 0.67305 -0.00673 -0.00316 -0.04253 691 PRO A CA  
605  C C   . PRO A 114 ? 0.70599 0.59449 0.72006 0.01198  0.00975  -0.05834 691 PRO A C   
606  O O   . PRO A 114 ? 0.65562 0.57264 0.67438 0.01945  0.01837  -0.04722 691 PRO A O   
607  C CB  . PRO A 114 ? 0.71632 0.55951 0.76171 -0.00160 -0.00862 -0.02920 691 PRO A CB  
608  C CG  . PRO A 114 ? 0.69156 0.54593 0.74049 -0.01727 -0.01173 -0.00059 691 PRO A CG  
609  C CD  . PRO A 114 ? 0.65209 0.54836 0.68726 -0.01827 -0.00217 0.00252  691 PRO A CD  
610  N N   . TRP A 115 ? 0.70626 0.57646 0.70550 0.01869  0.01125  -0.08489 692 TRP A N   
611  C CA  . TRP A 115 ? 0.76314 0.64885 0.75142 0.03801  0.02809  -0.10027 692 TRP A CA  
612  C C   . TRP A 115 ? 0.76939 0.65281 0.78811 0.05827  0.03685  -0.09517 692 TRP A C   
613  O O   . TRP A 115 ? 0.77273 0.68768 0.79976 0.07038  0.05121  -0.09050 692 TRP A O   
614  C CB  . TRP A 115 ? 0.77459 0.63633 0.73232 0.04158  0.02838  -0.13282 692 TRP A CB  
615  C CG  . TRP A 115 ? 0.81981 0.70418 0.75647 0.05936  0.04970  -0.14692 692 TRP A CG  
616  C CD1 . TRP A 115 ? 0.83693 0.70874 0.77505 0.08297  0.06661  -0.16742 692 TRP A CD1 
617  C CD2 . TRP A 115 ? 0.75436 0.67929 0.66730 0.05582  0.05879  -0.13942 692 TRP A CD2 
618  N NE1 . TRP A 115 ? 0.84842 0.75403 0.76333 0.09353  0.08817  -0.17218 692 TRP A NE1 
619  C CE2 . TRP A 115 ? 0.85692 0.79400 0.75547 0.07617  0.08238  -0.15377 692 TRP A CE2 
620  C CE3 . TRP A 115 ? 0.77840 0.73024 0.68376 0.03847  0.05019  -0.12066 692 TRP A CE3 
621  C CZ2 . TRP A 115 ? 0.87995 0.85505 0.75410 0.07724  0.09692  -0.14676 692 TRP A CZ2 
622  C CZ3 . TRP A 115 ? 0.77154 0.75778 0.65578 0.04077  0.06208  -0.11464 692 TRP A CZ3 
623  C CH2 . TRP A 115 ? 0.82798 0.82540 0.69545 0.05884  0.08489  -0.12622 692 TRP A CH2 
624  N N   . VAL A 116 ? 0.77061 0.61814 0.81138 0.06183  0.02715  -0.09359 693 VAL A N   
625  C CA  . VAL A 116 ? 0.71656 0.56144 0.79265 0.08169  0.03116  -0.08582 693 VAL A CA  
626  C C   . VAL A 116 ? 0.72716 0.56829 0.82268 0.07187  0.01528  -0.05492 693 VAL A C   
627  O O   . VAL A 116 ? 0.73831 0.55270 0.82953 0.05617  0.00191  -0.04669 693 VAL A O   
628  C CB  . VAL A 116 ? 0.79259 0.59544 0.88109 0.09977  0.03358  -0.10948 693 VAL A CB  
629  C CG1 . VAL A 116 ? 0.69819 0.50741 0.83210 0.12325  0.03869  -0.09857 693 VAL A CG1 
630  C CG2 . VAL A 116 ? 0.80213 0.60285 0.85758 0.10855  0.04932  -0.14438 693 VAL A CG2 
631  N N   . VAL A 117 ? 0.72098 0.58897 0.83786 0.08062  0.01620  -0.03713 694 VAL A N   
632  C CA  . VAL A 117 ? 0.67279 0.53825 0.80081 0.07371  0.00006  -0.00832 694 VAL A CA  
633  C C   . VAL A 117 ? 0.70561 0.53338 0.86220 0.08477  -0.01116 -0.00161 694 VAL A C   
634  O O   . VAL A 117 ? 0.74834 0.56927 0.93379 0.10662  -0.00487 -0.01396 694 VAL A O   
635  C CB  . VAL A 117 ? 0.59634 0.50113 0.73679 0.07868  0.00032  0.00518  694 VAL A CB  
636  C CG1 . VAL A 117 ? 0.59974 0.49924 0.74684 0.07443  -0.01940 0.03271  694 VAL A CG1 
637  C CG2 . VAL A 117 ? 0.61426 0.54997 0.72895 0.06641  0.00923  0.00162  694 VAL A CG2 
638  N N   . THR A 118 ? 0.70969 0.51388 0.86127 0.07092  -0.02650 0.02022  695 THR A N   
639  C CA  . THR A 118 ? 0.77199 0.53838 0.95178 0.07917  -0.04051 0.03452  695 THR A CA  
640  C C   . THR A 118 ? 0.77698 0.55359 0.95850 0.07536  -0.05689 0.07048  695 THR A C   
641  O O   . THR A 118 ? 0.74089 0.54321 0.89197 0.06054  -0.05760 0.08302  695 THR A O   
642  C CB  . THR A 118 ? 0.78326 0.50439 0.95766 0.06437  -0.04704 0.03354  695 THR A CB  
643  O OG1 . THR A 118 ? 0.75715 0.48936 0.90444 0.03914  -0.05071 0.05526  695 THR A OG1 
644  C CG2 . THR A 118 ? 0.79328 0.49972 0.95847 0.06574  -0.03608 -0.00469 695 THR A CG2 
645  N N   . PRO A 119 ? 0.83767 0.59967 0.96723 0.10299  -0.10861 -0.07320 696 PRO A N   
646  C CA  . PRO A 119 ? 0.82743 0.56619 0.94827 0.09181  -0.11766 -0.03523 696 PRO A CA  
647  C C   . PRO A 119 ? 0.83702 0.54957 0.93776 0.06129  -0.11716 0.00403  696 PRO A C   
648  O O   . PRO A 119 ? 0.81048 0.53283 0.88409 0.04575  -0.10466 0.03421  696 PRO A O   
649  C CB  . PRO A 119 ? 0.80555 0.50655 0.96315 0.11309  -0.15788 -0.04935 696 PRO A CB  
650  C CG  . PRO A 119 ? 0.80741 0.53752 0.99909 0.14067  -0.16141 -0.10477 696 PRO A CG  
651  C CD  . PRO A 119 ? 0.77994 0.52866 0.95258 0.12872  -0.13742 -0.11114 696 PRO A CD  
652  N N   . GLU A 120 ? 0.82404 0.50940 0.94037 0.05117  -0.13041 0.00104  697 GLU A N   
653  C CA  . GLU A 120 ? 0.82338 0.49953 0.92664 0.01628  -0.12446 0.03227  697 GLU A CA  
654  C C   . GLU A 120 ? 0.75990 0.49034 0.83657 0.00780  -0.09065 0.03397  697 GLU A C   
655  O O   . GLU A 120 ? 0.75217 0.49790 0.80904 -0.01483 -0.07872 0.06112  697 GLU A O   
656  C CB  . GLU A 120 ? 0.76723 0.41691 0.89866 0.00747  -0.14114 0.01923  697 GLU A CB  
657  C CG  . GLU A 120 ? 0.89547 0.47797 1.05266 0.00893  -0.18325 0.02220  697 GLU A CG  
658  C CD  . GLU A 120 ? 0.99956 0.57571 1.17726 0.05087  -0.20366 -0.01186 697 GLU A CD  
659  O OE1 . GLU A 120 ? 0.96676 0.58940 1.15180 0.07547  -0.18628 -0.05112 697 GLU A OE1 
660  O OE2 . GLU A 120 ? 1.11520 0.64031 1.30092 0.05850  -0.23933 -0.00239 697 GLU A OE2 
661  N N   . PHE A 121 ? 0.72536 0.48380 0.79794 0.02610  -0.07821 0.00295  698 PHE A N   
662  C CA  . PHE A 121 ? 0.71234 0.50913 0.75652 0.02231  -0.05665 0.00111  698 PHE A CA  
663  C C   . PHE A 121 ? 0.70735 0.52330 0.72663 0.01981  -0.04487 0.02279  698 PHE A C   
664  O O   . PHE A 121 ? 0.74334 0.58393 0.74759 0.00709  -0.03531 0.03441  698 PHE A O   
665  C CB  . PHE A 121 ? 0.69202 0.49968 0.72172 0.04178  -0.05129 -0.03122 698 PHE A CB  
666  C CG  . PHE A 121 ? 0.73132 0.56151 0.72477 0.04090  -0.03969 -0.03405 698 PHE A CG  
667  C CD1 . PHE A 121 ? 0.68737 0.52392 0.68114 0.03726  -0.04465 -0.04684 698 PHE A CD1 
668  C CD2 . PHE A 121 ? 0.65970 0.50174 0.62116 0.04490  -0.02903 -0.02761 698 PHE A CD2 
669  C CE1 . PHE A 121 ? 0.67681 0.52654 0.63741 0.04183  -0.04395 -0.05457 698 PHE A CE1 
670  C CE2 . PHE A 121 ? 0.68314 0.53290 0.60816 0.04533  -0.02755 -0.03087 698 PHE A CE2 
671  C CZ  . PHE A 121 ? 0.64783 0.49904 0.57132 0.04598  -0.03745 -0.04514 698 PHE A CZ  
672  N N   . LEU A 122 ? 0.70774 0.51848 0.72702 0.03382  -0.04713 0.02287  699 LEU A N   
673  C CA  . LEU A 122 ? 0.72759 0.55489 0.72730 0.03322  -0.03942 0.04101  699 LEU A CA  
674  C C   . LEU A 122 ? 0.73487 0.55438 0.72835 0.01422  -0.04430 0.07336  699 LEU A C   
675  O O   . LEU A 122 ? 0.67380 0.51998 0.64549 0.00759  -0.03403 0.08602  699 LEU A O   
676  C CB  . LEU A 122 ? 0.69717 0.52252 0.70967 0.05091  -0.04471 0.03093  699 LEU A CB  
677  C CG  . LEU A 122 ? 0.72887 0.57391 0.74533 0.06411  -0.03480 -0.00249 699 LEU A CG  
678  C CD1 . LEU A 122 ? 0.70719 0.56533 0.74760 0.07901  -0.03922 -0.01700 699 LEU A CD1 
679  C CD2 . LEU A 122 ? 0.63761 0.50345 0.61586 0.05661  -0.01618 -0.00435 699 LEU A CD2 
680  N N   . GLU A 123 ? 0.76978 0.55053 0.77824 0.00416  -0.06237 0.08674  700 GLU A N   
681  C CA  . GLU A 123 ? 0.81468 0.58180 0.80556 -0.02265 -0.06670 0.12234  700 GLU A CA  
682  C C   . GLU A 123 ? 0.81574 0.62303 0.79939 -0.04865 -0.04682 0.12557  700 GLU A C   
683  O O   . GLU A 123 ? 0.84085 0.67798 0.80071 -0.06504 -0.03496 0.14357  700 GLU A O   
684  C CB  . GLU A 123 ? 0.84449 0.54747 0.84779 -0.03215 -0.09644 0.13683  700 GLU A CB  
685  C CG  . GLU A 123 ? 0.99763 0.67000 0.96926 -0.06461 -0.10592 0.18011  700 GLU A CG  
686  C CD  . GLU A 123 ? 1.13734 0.80292 1.08065 -0.05072 -0.11398 0.19636  700 GLU A CD  
687  O OE1 . GLU A 123 ? 1.17880 0.84439 1.08153 -0.07707 -0.10973 0.23008  700 GLU A OE1 
688  O OE2 . GLU A 123 ? 1.11400 0.78274 1.07568 -0.01471 -0.12213 0.17230  700 GLU A OE2 
689  N N   . LYS A 124 ? 0.75197 0.56574 0.75882 -0.05115 -0.04464 0.10330  701 LYS A N   
690  C CA  . LYS A 124 ? 0.73363 0.59227 0.74564 -0.07339 -0.02925 0.09643  701 LYS A CA  
691  C C   . LYS A 124 ? 0.70938 0.62384 0.70164 -0.06384 -0.01330 0.08664  701 LYS A C   
692  O O   . LYS A 124 ? 0.70008 0.65865 0.68563 -0.08561 -0.00070 0.09380  701 LYS A O   
693  C CB  . LYS A 124 ? 0.73104 0.58757 0.77223 -0.06565 -0.03435 0.06461  701 LYS A CB  
694  C CG  . LYS A 124 ? 0.72863 0.63684 0.78657 -0.08214 -0.02319 0.04486  701 LYS A CG  
695  C CD  . LYS A 124 ? 0.72640 0.61468 0.81980 -0.08474 -0.03570 0.02304  701 LYS A CD  
696  C CE  . LYS A 124 ? 0.74373 0.68624 0.86492 -0.10171 -0.02802 -0.00219 701 LYS A CE  
697  N NZ  . LYS A 124 ? 0.77830 0.74432 0.89334 -0.06724 -0.03254 -0.04102 701 LYS A NZ  
698  N N   . TYR A 125 ? 0.68716 0.60153 0.66883 -0.03331 -0.01502 0.06880  702 TYR A N   
699  C CA  . TYR A 125 ? 0.67644 0.63043 0.63927 -0.02083 -0.00909 0.05617  702 TYR A CA  
700  C C   . TYR A 125 ? 0.67454 0.62866 0.61485 -0.01276 -0.00836 0.07463  702 TYR A C   
701  O O   . TYR A 125 ? 0.64202 0.61670 0.56669 0.00183  -0.00922 0.06340  702 TYR A O   
702  C CB  . TYR A 125 ? 0.62721 0.57223 0.58317 0.00182  -0.01595 0.02724  702 TYR A CB  
703  C CG  . TYR A 125 ? 0.65246 0.60211 0.62845 -0.00094 -0.02088 0.00292  702 TYR A CG  
704  C CD1 . TYR A 125 ? 0.65847 0.57485 0.65112 -0.00090 -0.02616 -0.00202 702 TYR A CD1 
705  C CD2 . TYR A 125 ? 0.64218 0.63356 0.62540 -0.00055 -0.02381 -0.02099 702 TYR A CD2 
706  C CE1 . TYR A 125 ? 0.67217 0.59222 0.68568 -0.00195 -0.03340 -0.02659 702 TYR A CE1 
707  C CE2 . TYR A 125 ? 0.66734 0.66591 0.67490 -0.00118 -0.03142 -0.04822 702 TYR A CE2 
708  C CZ  . TYR A 125 ? 0.66043 0.62109 0.68181 -0.00275 -0.03572 -0.04898 702 TYR A CZ  
709  O OH  . TYR A 125 ? 0.64810 0.61455 0.69592 -0.00195 -0.04587 -0.07798 702 TYR A OH  
710  N N   . LYS A 126 ? 0.67461 0.60048 0.61299 -0.02024 -0.01236 0.10070  703 LYS A N   
711  C CA  . LYS A 126 ? 0.65571 0.58001 0.57538 -0.01139 -0.01559 0.11675  703 LYS A CA  
712  C C   . LYS A 126 ? 0.65373 0.58055 0.57008 0.01303  -0.01689 0.09894  703 LYS A C   
713  O O   . LYS A 126 ? 0.69180 0.64068 0.59295 0.02104  -0.01683 0.09837  703 LYS A O   
714  C CB  . LYS A 126 ? 0.71858 0.68475 0.61756 -0.02561 -0.00753 0.12865  703 LYS A CB  
715  C CG  . LYS A 126 ? 0.72882 0.70880 0.62866 -0.06017 0.00115  0.14177  703 LYS A CG  
716  C CD  . LYS A 126 ? 0.87549 0.80922 0.75488 -0.08088 -0.00844 0.18019  703 LYS A CD  
717  C CE  . LYS A 126 ? 0.93295 0.83421 0.82671 -0.11130 -0.01182 0.19176  703 LYS A CE  
718  N NZ  . LYS A 126 ? 0.99552 0.83413 0.86105 -0.13382 -0.03015 0.23244  703 LYS A NZ  
719  N N   . ILE A 127 ? 0.62910 0.53363 0.55848 0.02226  -0.01862 0.08370  704 ILE A N   
720  C CA  . ILE A 127 ? 0.65250 0.55840 0.57431 0.03564  -0.01631 0.06810  704 ILE A CA  
721  C C   . ILE A 127 ? 0.64567 0.54485 0.57981 0.04450  -0.02020 0.07232  704 ILE A C   
722  O O   . ILE A 127 ? 0.66654 0.54639 0.62281 0.04819  -0.02832 0.07268  704 ILE A O   
723  C CB  . ILE A 127 ? 0.63537 0.52883 0.55917 0.03777  -0.01342 0.04701  704 ILE A CB  
724  C CG1 . ILE A 127 ? 0.62818 0.52899 0.53525 0.03504  -0.01518 0.03633  704 ILE A CG1 
725  C CG2 . ILE A 127 ? 0.61752 0.51122 0.53297 0.04317  -0.00751 0.03472  704 ILE A CG2 
726  C CD1 . ILE A 127 ? 0.58525 0.47020 0.49478 0.03658  -0.01669 0.01765  704 ILE A CD1 
727  N N   . ASP A 128 ? 0.59262 0.50653 0.51631 0.04959  -0.01898 0.07139  705 ASP A N   
728  C CA  . ASP A 128 ? 0.61922 0.53537 0.56149 0.05890  -0.02373 0.06947  705 ASP A CA  
729  C C   . ASP A 128 ? 0.59366 0.51991 0.54991 0.05945  -0.01379 0.04558  705 ASP A C   
730  O O   . ASP A 128 ? 0.55806 0.49062 0.54647 0.06871  -0.01759 0.03175  705 ASP A O   
731  C CB  . ASP A 128 ? 0.65057 0.58154 0.58002 0.06278  -0.02900 0.07889  705 ASP A CB  
732  C CG  . ASP A 128 ? 0.67273 0.60496 0.58539 0.06100  -0.03633 0.09999  705 ASP A CG  
733  O OD1 . ASP A 128 ? 0.68776 0.60128 0.60448 0.06108  -0.04584 0.11432  705 ASP A OD1 
734  O OD2 . ASP A 128 ? 0.69928 0.65123 0.59182 0.05831  -0.03440 0.10055  705 ASP A OD2 
735  N N   . TYR A 129 ? 0.56612 0.49518 0.49668 0.04885  -0.00309 0.03823  706 TYR A N   
736  C CA  . TYR A 129 ? 0.58240 0.52487 0.51332 0.04010  0.01105  0.01837  706 TYR A CA  
737  C C   . TYR A 129 ? 0.64439 0.57097 0.54053 0.03013  0.01757  0.01228  706 TYR A C   
738  O O   . TYR A 129 ? 0.62749 0.53364 0.49366 0.02894  0.00862  0.02224  706 TYR A O   
739  C CB  . TYR A 129 ? 0.60925 0.56507 0.52931 0.02868  0.01506  0.01958  706 TYR A CB  
740  C CG  . TYR A 129 ? 0.58507 0.55857 0.53910 0.04026  0.00605  0.02136  706 TYR A CG  
741  C CD1 . TYR A 129 ? 0.58253 0.58617 0.58076 0.04544  0.01052  -0.00065 706 TYR A CD1 
742  C CD2 . TYR A 129 ? 0.60614 0.57048 0.54911 0.04855  -0.00934 0.03981  706 TYR A CD2 
743  C CE1 . TYR A 129 ? 0.51143 0.52786 0.54139 0.05998  -0.00363 -0.00254 706 TYR A CE1 
744  C CE2 . TYR A 129 ? 0.61356 0.59071 0.58215 0.06150  -0.02105 0.04090  706 TYR A CE2 
745  C CZ  . TYR A 129 ? 0.57885 0.57790 0.59020 0.06769  -0.01978 0.02061  706 TYR A CZ  
746  O OH  . TYR A 129 ? 0.48840 0.49666 0.52517 0.08388  -0.03675 0.01826  706 TYR A OH  
747  N N   . VAL A 130 ? 0.63019 0.57043 0.53035 0.02455  0.03137  -0.00885 707 VAL A N   
748  C CA  . VAL A 130 ? 0.62231 0.54736 0.48023 0.01360  0.03786  -0.01681 707 VAL A CA  
749  C C   . VAL A 130 ? 0.71033 0.64465 0.53178 -0.01215 0.05319  -0.01914 707 VAL A C   
750  O O   . VAL A 130 ? 0.71192 0.68760 0.56168 -0.01992 0.06988  -0.03511 707 VAL A O   
751  C CB  . VAL A 130 ? 0.65966 0.59433 0.54181 0.02439  0.04157  -0.04059 707 VAL A CB  
752  C CG1 . VAL A 130 ? 0.69248 0.61853 0.52492 0.01181  0.05100  -0.05331 707 VAL A CG1 
753  C CG2 . VAL A 130 ? 0.58735 0.50010 0.49616 0.04113  0.02321  -0.03248 707 VAL A CG2 
754  N N   . ALA A 131 ? 0.65221 0.54728 0.41161 -0.02683 0.04442  -0.00454 708 ALA A N   
755  C CA  . ALA A 131 ? 0.75075 0.63575 0.45853 -0.05952 0.05332  0.00168  708 ALA A CA  
756  C C   . ALA A 131 ? 0.80649 0.68455 0.46413 -0.07718 0.06693  -0.00995 708 ALA A C   
757  O O   . ALA A 131 ? 0.85739 0.70225 0.48705 -0.06436 0.05263  -0.01188 708 ALA A O   
758  C CB  . ALA A 131 ? 0.78407 0.61592 0.44555 -0.06402 0.02551  0.02439  708 ALA A CB  
759  N N   . HIS A 132 ? 0.87127 0.78585 0.51746 -0.10765 0.09500  -0.02060 709 HIS A N   
760  C CA  . HIS A 132 ? 0.96208 0.88156 0.55753 -0.12621 0.11240  -0.03505 709 HIS A CA  
761  C C   . HIS A 132 ? 0.99625 0.94333 0.55101 -0.17691 0.14166  -0.03452 709 HIS A C   
762  O O   . HIS A 132 ? 0.98656 0.97627 0.58518 -0.19073 0.15547  -0.03722 709 HIS A O   
763  C CB  . HIS A 132 ? 0.96319 0.93595 0.61819 -0.09890 0.12508  -0.07137 709 HIS A CB  
764  C CG  . HIS A 132 ? 1.11472 1.08162 0.71587 -0.10518 0.13268  -0.08754 709 HIS A CG  
765  N ND1 . HIS A 132 ? 1.15494 1.18509 0.75046 -0.12498 0.16554  -0.11851 709 HIS A ND1 
766  C CD2 . HIS A 132 ? 1.14959 1.06028 0.70175 -0.09248 0.11060  -0.08162 709 HIS A CD2 
767  C CE1 . HIS A 132 ? 1.20049 1.20944 0.73826 -0.12485 0.16364  -0.12786 709 HIS A CE1 
768  N NE2 . HIS A 132 ? 1.31540 1.24879 0.82717 -0.10411 0.12876  -0.10558 709 HIS A NE2 
769  N N   . ASP A 133 ? 1.15669 0.92698 0.69543 0.08038  -0.07958 0.06223  710 ASP A N   
770  C CA  . ASP A 133 ? 1.24584 0.92604 0.67488 0.07941  -0.01853 0.07277  710 ASP A CA  
771  C C   . ASP A 133 ? 1.30667 0.95792 0.69211 0.05595  0.02180  0.04104  710 ASP A C   
772  O O   . ASP A 133 ? 1.30483 0.98422 0.71254 0.04660  -0.00545 0.01430  710 ASP A O   
773  C CB  . ASP A 133 ? 1.29220 0.88888 0.57693 0.10954  -0.04366 0.10081  710 ASP A CB  
774  C CG  . ASP A 133 ? 1.40062 1.01442 0.63993 0.12503  -0.12259 0.09078  710 ASP A CG  
775  O OD1 . ASP A 133 ? 1.50194 1.10318 0.68806 0.16128  -0.17381 0.11542  710 ASP A OD1 
776  O OD2 . ASP A 133 ? 1.41316 1.05786 0.67513 0.10204  -0.13428 0.05580  710 ASP A OD2 
777  N N   . ASP A 144 ? 1.51874 0.99320 0.87187 -0.04985 0.11848  -0.30267 739 ASP A N   
778  C CA  . ASP A 144 ? 1.40617 0.94900 0.81863 -0.04428 0.08042  -0.26187 739 ASP A CA  
779  C C   . ASP A 144 ? 1.39277 0.96858 0.87543 -0.05694 0.03368  -0.25885 739 ASP A C   
780  O O   . ASP A 144 ? 1.36069 0.93686 0.91563 -0.05215 0.04868  -0.26308 739 ASP A O   
781  C CB  . ASP A 144 ? 1.31029 0.90147 0.80530 -0.01917 0.11761  -0.23668 739 ASP A CB  
782  C CG  . ASP A 144 ? 1.31488 0.96466 0.85145 -0.01582 0.08814  -0.19718 739 ASP A CG  
783  O OD1 . ASP A 144 ? 1.39469 1.04672 0.89371 -0.02689 0.03784  -0.18765 739 ASP A OD1 
784  O OD2 . ASP A 144 ? 1.15908 0.85601 0.76688 -0.00107 0.11552  -0.17872 739 ASP A OD2 
785  N N   . ILE A 145 ? 1.44998 1.05347 0.90910 -0.07151 -0.02199 -0.25194 740 ILE A N   
786  C CA  . ILE A 145 ? 1.36455 1.00809 0.89187 -0.09020 -0.06518 -0.25674 740 ILE A CA  
787  C C   . ILE A 145 ? 1.20789 0.90952 0.85261 -0.07573 -0.06168 -0.22319 740 ILE A C   
788  O O   . ILE A 145 ? 1.16470 0.88027 0.87803 -0.08948 -0.06980 -0.22904 740 ILE A O   
789  C CB  . ILE A 145 ? 1.36257 1.03870 0.84231 -0.10408 -0.12837 -0.26182 740 ILE A CB  
790  C CG1 . ILE A 145 ? 1.42319 1.10332 0.83970 -0.07869 -0.13558 -0.22939 740 ILE A CG1 
791  C CG2 . ILE A 145 ? 1.37850 1.01056 0.77200 -0.13307 -0.14138 -0.30969 740 ILE A CG2 
792  C CD1 . ILE A 145 ? 1.48515 1.20126 0.85360 -0.07808 -0.20359 -0.22699 740 ILE A CD1 
793  N N   . TYR A 146 ? 1.19169 0.92279 0.85545 -0.05175 -0.04530 -0.19021 741 TYR A N   
794  C CA  . TYR A 146 ? 1.01876 0.81091 0.78592 -0.03937 -0.04201 -0.15911 741 TYR A CA  
795  C C   . TYR A 146 ? 0.94896 0.73946 0.76884 -0.02087 0.00769  -0.15589 741 TYR A C   
796  O O   . TYR A 146 ? 0.77699 0.62123 0.67541 -0.00915 0.01515  -0.13161 741 TYR A O   
797  C CB  . TYR A 146 ? 1.07714 0.90117 0.83442 -0.02588 -0.04882 -0.12863 741 TYR A CB  
798  C CG  . TYR A 146 ? 1.19627 1.03833 0.91980 -0.03103 -0.10550 -0.12282 741 TYR A CG  
799  C CD1 . TYR A 146 ? 1.22969 1.02857 0.84233 -0.03552 -0.12795 -0.14003 741 TYR A CD1 
800  C CD2 . TYR A 146 ? 1.09191 0.99852 0.89304 -0.02790 -0.13733 -0.10115 741 TYR A CD2 
801  C CE1 . TYR A 146 ? 1.25991 1.08531 0.84062 -0.03209 -0.18654 -0.13498 741 TYR A CE1 
802  C CE2 . TYR A 146 ? 1.15093 1.08385 0.92831 -0.02427 -0.19234 -0.09741 741 TYR A CE2 
803  C CZ  . TYR A 146 ? 1.26607 1.16135 0.93374 -0.02383 -0.21953 -0.11367 741 TYR A CZ  
804  O OH  . TYR A 146 ? 1.30373 1.23557 0.94923 -0.01254 -0.28031 -0.11015 741 TYR A OH  
805  N N   . ALA A 147 ? 0.98825 0.72235 0.76718 -0.01557 0.04084  -0.18170 742 ALA A N   
806  C CA  . ALA A 147 ? 0.87457 0.61257 0.70590 0.01090  0.08315  -0.18098 742 ALA A CA  
807  C C   . ALA A 147 ? 0.82748 0.59296 0.74351 0.01444  0.07012  -0.16422 742 ALA A C   
808  O O   . ALA A 147 ? 0.71289 0.52758 0.69588 0.03760  0.08626  -0.14476 742 ALA A O   
809  C CB  . ALA A 147 ? 0.97260 0.63710 0.74744 0.01740  0.11582  -0.21499 742 ALA A CB  
810  N N   . TRP A 148 ? 0.81257 0.54947 0.72426 -0.01169 0.04191  -0.17381 743 TRP A N   
811  C CA  . TRP A 148 ? 0.76355 0.51126 0.74281 -0.01285 0.03680  -0.15918 743 TRP A CA  
812  C C   . TRP A 148 ? 0.69477 0.52786 0.74741 -0.01163 0.01860  -0.12716 743 TRP A C   
813  O O   . TRP A 148 ? 0.62710 0.48207 0.73771 0.00092  0.02748  -0.10830 743 TRP A O   
814  C CB  . TRP A 148 ? 0.82416 0.52494 0.78347 -0.05089 0.01635  -0.18215 743 TRP A CB  
815  C CG  . TRP A 148 ? 0.87523 0.62387 0.83951 -0.08502 -0.02988 -0.18792 743 TRP A CG  
816  C CD1 . TRP A 148 ? 0.92548 0.67012 0.82666 -0.10361 -0.05617 -0.21182 743 TRP A CD1 
817  C CD2 . TRP A 148 ? 0.78188 0.59319 0.81803 -0.10210 -0.05712 -0.17234 743 TRP A CD2 
818  N NE1 . TRP A 148 ? 0.86347 0.67164 0.79854 -0.12610 -0.10223 -0.21153 743 TRP A NE1 
819  C CE2 . TRP A 148 ? 0.79694 0.64684 0.81878 -0.12694 -0.10111 -0.18898 743 TRP A CE2 
820  C CE3 . TRP A 148 ? 0.72227 0.56294 0.83158 -0.09780 -0.04871 -0.14733 743 TRP A CE3 
821  C CZ2 . TRP A 148 ? 0.74325 0.66438 0.83202 -0.14549 -0.13465 -0.18354 743 TRP A CZ2 
822  C CZ3 . TRP A 148 ? 0.69955 0.60346 0.86862 -0.12194 -0.07813 -0.14177 743 TRP A CZ3 
823  C CH2 . TRP A 148 ? 0.71122 0.65681 0.87503 -0.14482 -0.11970 -0.16094 743 TRP A CH2 
824  N N   . LEU A 149 ? 0.69015 0.56716 0.73585 -0.02227 -0.00562 -0.11996 744 LEU A N   
825  C CA  . LEU A 149 ? 0.57729 0.52902 0.69182 -0.02068 -0.01762 -0.09187 744 LEU A CA  
826  C C   . LEU A 149 ? 0.55608 0.54419 0.69982 0.00709  0.01776  -0.07633 744 LEU A C   
827  O O   . LEU A 149 ? 0.44219 0.48485 0.65480 0.01262  0.02149  -0.05715 744 LEU A O   
828  C CB  . LEU A 149 ? 0.59925 0.57830 0.69364 -0.03289 -0.05170 -0.08753 744 LEU A CB  
829  C CG  . LEU A 149 ? 0.63333 0.62267 0.73807 -0.06080 -0.09607 -0.10146 744 LEU A CG  
830  C CD1 . LEU A 149 ? 0.67075 0.66433 0.71575 -0.06079 -0.12979 -0.10616 744 LEU A CD1 
831  C CD2 . LEU A 149 ? 0.49662 0.54746 0.69329 -0.07063 -0.10883 -0.08517 744 LEU A CD2 
832  N N   . LYS A 150 ? 0.57323 0.53802 0.66605 0.02112  0.04557  -0.08837 745 LYS A N   
833  C CA  . LYS A 150 ? 0.52885 0.53900 0.65721 0.04338  0.08302  -0.08323 745 LYS A CA  
834  C C   . LYS A 150 ? 0.51693 0.54119 0.69793 0.06736  0.09628  -0.08198 745 LYS A C   
835  O O   . LYS A 150 ? 0.45348 0.54460 0.70015 0.07940  0.10368  -0.06764 745 LYS A O   
836  C CB  . LYS A 150 ? 0.59115 0.56962 0.65323 0.04978  0.11632  -0.10357 745 LYS A CB  
837  C CG  . LYS A 150 ? 0.66589 0.62082 0.65947 0.03113  0.10573  -0.09884 745 LYS A CG  
838  C CD  . LYS A 150 ? 0.74686 0.65811 0.66053 0.03273  0.14435  -0.11948 745 LYS A CD  
839  C CE  . LYS A 150 ? 0.80096 0.67344 0.62787 0.01805  0.13155  -0.10888 745 LYS A CE  
840  N NZ  . LYS A 150 ? 0.92630 0.72958 0.64599 0.01359  0.15759  -0.13162 745 LYS A NZ  
841  N N   . ARG A 151 ? 0.52117 0.47782 0.66813 0.07526  0.09866  -0.09681 746 ARG A N   
842  C CA  . ARG A 151 ? 0.52997 0.48000 0.71020 0.10659  0.11198  -0.09247 746 ARG A CA  
843  C C   . ARG A 151 ? 0.53456 0.52336 0.77333 0.10189  0.09231  -0.06545 746 ARG A C   
844  O O   . ARG A 151 ? 0.47690 0.49817 0.75572 0.13353  0.10258  -0.05305 746 ARG A O   
845  C CB  . ARG A 151 ? 0.62677 0.47692 0.75149 0.10807  0.11673  -0.11060 746 ARG A CB  
846  C CG  . ARG A 151 ? 0.72066 0.53663 0.80795 0.13517  0.15007  -0.13591 746 ARG A CG  
847  C CD  . ARG A 151 ? 0.87089 0.58776 0.92112 0.14646  0.15976  -0.14726 746 ARG A CD  
848  N NE  . ARG A 151 ? 0.93081 0.57358 0.91540 0.10309  0.14739  -0.16901 746 ARG A NE  
849  C CZ  . ARG A 151 ? 1.06799 0.66708 0.98795 0.09320  0.16155  -0.19991 746 ARG A CZ  
850  N NH1 . ARG A 151 ? 1.12829 0.74433 1.04028 0.12176  0.19336  -0.21353 746 ARG A NH1 
851  N NH2 . ARG A 151 ? 1.03594 0.57459 0.89756 0.05195  0.14591  -0.22213 746 ARG A NH2 
852  N N   . ALA A 152 ? 0.50302 0.49418 0.74722 0.06445  0.06365  -0.05766 747 ALA A N   
853  C CA  . ALA A 152 ? 0.46558 0.48722 0.76139 0.05299  0.04837  -0.03614 747 ALA A CA  
854  C C   . ALA A 152 ? 0.40852 0.52477 0.76282 0.05065  0.04612  -0.01967 747 ALA A C   
855  O O   . ALA A 152 ? 0.36708 0.51829 0.76738 0.03921  0.03580  -0.00273 747 ALA A O   
856  C CB  . ALA A 152 ? 0.47389 0.45719 0.75620 0.01097  0.02194  -0.04348 747 ALA A CB  
857  N N   . GLY A 153 ? 0.40189 0.55367 0.75071 0.05733  0.06047  -0.02661 748 GLY A N   
858  C CA  . GLY A 153 ? 0.31330 0.54274 0.70929 0.04961  0.06534  -0.01568 748 GLY A CA  
859  C C   . GLY A 153 ? 0.35748 0.59309 0.75901 0.01957  0.04015  -0.00691 748 GLY A C   
860  O O   . GLY A 153 ? 0.35501 0.60944 0.72538 0.00964  0.03631  0.00309  748 GLY A O   
861  N N   . LYS A 154 ? 0.33353 0.51629 0.69264 0.00450  0.01487  -0.01477 749 LYS A N   
862  C CA  . LYS A 154 ? 0.34959 0.54648 0.71928 -0.01740 -0.01601 -0.00964 749 LYS A CA  
863  C C   . LYS A 154 ? 0.44958 0.62604 0.76033 -0.01502 -0.02236 -0.01245 749 LYS A C   
864  O O   . LYS A 154 ? 0.43812 0.62092 0.74587 -0.02471 -0.05467 -0.00982 749 LYS A O   
865  C CB  . LYS A 154 ? 0.36200 0.52885 0.73117 -0.03839 -0.04381 -0.02097 749 LYS A CB  
866  C CG  . LYS A 154 ? 0.34559 0.51836 0.76094 -0.04378 -0.03485 -0.01369 749 LYS A CG  
867  C CD  . LYS A 154 ? 0.41672 0.56684 0.84025 -0.07614 -0.05708 -0.02734 749 LYS A CD  
868  C CE  . LYS A 154 ? 0.48751 0.64457 0.93115 -0.08193 -0.04451 -0.01301 749 LYS A CE  
869  N NZ  . LYS A 154 ? 0.46099 0.64778 0.86497 -0.05767 -0.02924 0.00584  749 LYS A NZ  
870  N N   . PHE A 155 ? 0.40868 0.56180 0.67073 -0.00084 0.00825  -0.01811 750 PHE A N   
871  C CA  . PHE A 155 ? 0.47683 0.59110 0.66093 0.00100  0.00727  -0.01947 750 PHE A CA  
872  C C   . PHE A 155 ? 0.49713 0.63638 0.69107 0.00406  0.03597  -0.00458 750 PHE A C   
873  O O   . PHE A 155 ? 0.52941 0.69209 0.74431 0.00776  0.07805  -0.01031 750 PHE A O   
874  C CB  . PHE A 155 ? 0.59996 0.65707 0.70851 0.00802  0.02929  -0.04037 750 PHE A CB  
875  C CG  . PHE A 155 ? 0.63876 0.64434 0.64936 0.00801  0.02922  -0.04166 750 PHE A CG  
876  C CD1 . PHE A 155 ? 0.67749 0.67674 0.65853 0.01145  0.06672  -0.03318 750 PHE A CD1 
877  C CD2 . PHE A 155 ? 0.74348 0.70419 0.68499 0.00233  -0.00664 -0.05282 750 PHE A CD2 
878  C CE1 . PHE A 155 ? 0.74208 0.67810 0.61612 0.01229  0.06984  -0.03041 750 PHE A CE1 
879  C CE2 . PHE A 155 ? 0.86551 0.77544 0.70367 0.00560  -0.01005 -0.05131 750 PHE A CE2 
880  C CZ  . PHE A 155 ? 0.86447 0.75583 0.66420 0.01216  0.02890  -0.03728 750 PHE A CZ  
881  N N   . LYS A 156 ? 0.46322 0.59590 0.63899 0.00351  0.01542  0.01140  751 LYS A N   
882  C CA  . LYS A 156 ? 0.49153 0.62726 0.66327 0.00489  0.04696  0.02618  751 LYS A CA  
883  C C   . LYS A 156 ? 0.61919 0.67932 0.67830 0.01411  0.04761  0.03348  751 LYS A C   
884  O O   . LYS A 156 ? 0.61518 0.65322 0.63600 0.02432  0.00119  0.04258  751 LYS A O   
885  C CB  . LYS A 156 ? 0.40778 0.59230 0.65480 0.00187  0.02887  0.04318  751 LYS A CB  
886  C CG  . LYS A 156 ? 0.38589 0.64196 0.73396 -0.00960 0.03860  0.03921  751 LYS A CG  
887  C CD  . LYS A 156 ? 0.43421 0.69467 0.76081 -0.01218 0.08213  0.02363  751 LYS A CD  
888  C CE  . LYS A 156 ? 0.46341 0.72280 0.74494 -0.02136 0.07892  0.01450  751 LYS A CE  
889  N NZ  . LYS A 156 ? 0.53268 0.80192 0.78496 -0.02268 0.10203  0.00854  751 LYS A NZ  
890  N N   . ALA A 157 ? 0.64758 0.67132 0.65284 0.01053  0.10071  0.02850  752 ALA A N   
891  C CA  . ALA A 157 ? 0.78940 0.72624 0.67071 0.01751  0.11094  0.03760  752 ALA A CA  
892  C C   . ALA A 157 ? 0.84147 0.75306 0.70449 0.02733  0.10981  0.06679  752 ALA A C   
893  O O   . ALA A 157 ? 0.73671 0.68945 0.67429 0.01890  0.13521  0.07243  752 ALA A O   
894  C CB  . ALA A 157 ? 0.85402 0.75683 0.68375 0.00461  0.17767  0.01864  752 ALA A CB  
895  N N   . THR A 158 ? 1.00821 0.64716 0.75709 -0.02016 0.40706  -0.22729 753 THR A N   
896  C CA  . THR A 158 ? 1.08505 0.67744 0.79645 -0.04492 0.41459  -0.20019 753 THR A CA  
897  C C   . THR A 158 ? 1.08309 0.75447 0.77980 -0.04575 0.39326  -0.19550 753 THR A C   
898  O O   . THR A 158 ? 1.06953 0.81167 0.78900 -0.01519 0.37319  -0.22076 753 THR A O   
899  C CB  . THR A 158 ? 1.07705 0.58407 0.82946 -0.02862 0.42678  -0.19185 753 THR A CB  
900  O OG1 . THR A 158 ? 1.12872 0.66726 0.94233 0.00043  0.40303  -0.20542 753 THR A OG1 
901  C CG2 . THR A 158 ? 1.03131 0.50489 0.81802 -0.01853 0.43365  -0.18082 753 THR A CG2 
902  N N   . GLN A 159 ? 1.16447 0.82473 0.82174 -0.07794 0.39538  -0.16230 754 GLN A N   
903  C CA  . GLN A 159 ? 1.21905 0.97042 0.86062 -0.08200 0.37831  -0.14393 754 GLN A CA  
904  C C   . GLN A 159 ? 1.21644 0.94105 0.88015 -0.07399 0.37147  -0.13126 754 GLN A C   
905  O O   . GLN A 159 ? 1.20188 0.82876 0.88658 -0.07494 0.38345  -0.12618 754 GLN A O   
906  C CB  . GLN A 159 ? 1.18963 0.96875 0.78633 -0.12872 0.37833  -0.10147 754 GLN A CB  
907  C CG  . GLN A 159 ? 1.17920 1.02813 0.75711 -0.13753 0.37837  -0.10210 754 GLN A CG  
908  C CD  . GLN A 159 ? 1.16493 0.93371 0.73973 -0.14282 0.39157  -0.12395 754 GLN A CD  
909  O OE1 . GLN A 159 ? 1.19500 0.87515 0.74067 -0.17613 0.39658  -0.10920 754 GLN A OE1 
910  N NE2 . GLN A 159 ? 1.15624 0.95536 0.75947 -0.10735 0.39464  -0.15943 754 GLN A NE2 
911  N N   . ARG A 160 ? 1.20945 1.02966 0.86669 -0.06303 0.35356  -0.12180 755 ARG A N   
912  C CA  . ARG A 160 ? 1.21835 1.03398 0.89319 -0.05877 0.34344  -0.10205 755 ARG A CA  
913  C C   . ARG A 160 ? 1.24168 1.06750 0.89309 -0.10101 0.34677  -0.04392 755 ARG A C   
914  O O   . ARG A 160 ? 1.26379 1.11931 0.88637 -0.13188 0.34995  -0.01925 755 ARG A O   
915  C CB  . ARG A 160 ? 1.21937 1.13530 0.89664 -0.01671 0.31709  -0.12754 755 ARG A CB  
916  C CG  . ARG A 160 ? 1.25623 1.12243 0.98232 0.01930  0.29920  -0.17151 755 ARG A CG  
917  C CD  . ARG A 160 ? 1.29141 1.23850 1.01141 0.05969  0.26267  -0.19854 755 ARG A CD  
918  N NE  . ARG A 160 ? 1.35739 1.28258 1.11107 0.09811  0.23577  -0.25676 755 ARG A NE  
919  C CZ  . ARG A 160 ? 1.38014 1.25588 1.18837 0.11617  0.20475  -0.27560 755 ARG A CZ  
920  N NH1 . ARG A 160 ? 1.43806 1.28572 1.27152 0.10241  0.20062  -0.24140 755 ARG A NH1 
921  N NH2 . ARG A 160 ? 1.34922 1.20244 1.19565 0.14729  0.17374  -0.32557 755 ARG A NH2 
922  N N   . THR A 161 ? 1.27557 1.07713 0.94829 -0.10421 0.34189  -0.01688 756 THR A N   
923  C CA  . THR A 161 ? 1.29714 1.11649 0.96257 -0.14131 0.33833  0.04421  756 THR A CA  
924  C C   . THR A 161 ? 1.30084 1.21307 0.98088 -0.12251 0.32133  0.06655  756 THR A C   
925  O O   . THR A 161 ? 1.33864 1.20392 1.05123 -0.10655 0.31759  0.06204  756 THR A O   
926  C CB  . THR A 161 ? 1.27746 0.95379 0.95418 -0.16751 0.35109  0.06374  756 THR A CB  
927  O OG1 . THR A 161 ? 1.26165 0.84325 0.92171 -0.16680 0.36816  0.02823  756 THR A OG1 
928  C CG2 . THR A 161 ? 1.28697 0.96502 0.95499 -0.21577 0.34101  0.12531  756 THR A CG2 
929  N N   . GLU A 162 ? 1.27275 1.32199 0.93028 -0.12389 0.31143  0.09768  757 GLU A N   
930  C CA  . GLU A 162 ? 1.26676 1.42326 0.92551 -0.09844 0.29505  0.11715  757 GLU A CA  
931  C C   . GLU A 162 ? 1.28549 1.41320 0.97740 -0.13078 0.29235  0.18227  757 GLU A C   
932  O O   . GLU A 162 ? 1.32065 1.36082 1.02858 -0.17475 0.30045  0.21760  757 GLU A O   
933  C CB  . GLU A 162 ? 1.28836 1.61441 0.90915 -0.08171 0.29092  0.13703  757 GLU A CB  
934  N N   . GLY A 163 ? 1.24243 1.43888 0.94373 -0.10620 0.27695  0.19533  758 GLY A N   
935  C CA  . GLY A 163 ? 1.25906 1.46878 0.99407 -0.13147 0.27143  0.26665  758 GLY A CA  
936  C C   . GLY A 163 ? 1.26891 1.33207 1.05226 -0.14566 0.27726  0.27204  758 GLY A C   
937  O O   . GLY A 163 ? 1.28971 1.36468 1.10767 -0.15873 0.27048  0.32750  758 GLY A O   
938  N N   . VAL A 164 ? 1.25721 1.19033 1.04705 -0.13948 0.29154  0.22129  759 VAL A N   
939  C CA  . VAL A 164 ? 1.27592 1.06810 1.10734 -0.14915 0.30548  0.23258  759 VAL A CA  
940  C C   . VAL A 164 ? 1.26280 1.04055 1.13662 -0.11599 0.29734  0.21765  759 VAL A C   
941  O O   . VAL A 164 ? 1.27536 0.94570 1.19092 -0.11537 0.31244  0.23013  759 VAL A O   
942  C CB  . VAL A 164 ? 1.28007 0.94674 1.09397 -0.15524 0.32845  0.19364  759 VAL A CB  
943  C CG1 . VAL A 164 ? 1.33717 0.97943 1.12139 -0.19919 0.33006  0.22301  759 VAL A CG1 
944  C CG2 . VAL A 164 ? 1.23780 0.93516 1.03042 -0.12540 0.32797  0.12895  759 VAL A CG2 
945  N N   . SER A 165 ? 1.24353 1.12593 1.10798 -0.08632 0.27126  0.19343  760 SER A N   
946  C CA  . SER A 165 ? 1.22945 1.08369 1.13241 -0.05415 0.25458  0.15960  760 SER A CA  
947  C C   . SER A 165 ? 1.24619 1.12023 1.19569 -0.05283 0.23772  0.20596  760 SER A C   
948  O O   . SER A 165 ? 1.26689 1.20680 1.21149 -0.07031 0.23396  0.26061  760 SER A O   
949  C CB  . SER A 165 ? 1.21744 1.15307 1.08530 -0.01897 0.22465  0.09817  760 SER A CB  
950  O OG  . SER A 165 ? 1.24014 1.29264 1.08618 -0.00107 0.19173  0.10904  760 SER A OG  
951  N N   . THR A 166 ? 0.96746 1.09531 1.06195 -0.02535 -0.00564 -0.15780 761 THR A N   
952  C CA  . THR A 166 ? 1.01875 1.06504 1.10306 -0.00009 0.01436  -0.17527 761 THR A CA  
953  C C   . THR A 166 ? 0.98970 1.07226 1.10567 0.02551  0.01198  -0.19258 761 THR A C   
954  O O   . THR A 166 ? 1.01712 1.05526 1.08523 0.01438  0.03034  -0.20396 761 THR A O   
955  C CB  . THR A 166 ? 0.99895 1.00737 1.13407 0.04088  0.01036  -0.16718 761 THR A CB  
956  O OG1 . THR A 166 ? 0.88802 0.84852 0.97086 0.01471  0.02534  -0.15502 761 THR A OG1 
957  C CG2 . THR A 166 ? 0.96251 0.92012 1.12167 0.08116  0.01945  -0.18698 761 THR A CG2 
958  N N   . THR A 167 ? 0.94880 1.11250 1.14411 0.06249  -0.01160 -0.19475 762 THR A N   
959  C CA  . THR A 167 ? 0.91653 1.13753 1.14137 0.08909  -0.01417 -0.21522 762 THR A CA  
960  C C   . THR A 167 ? 0.90805 1.15986 1.06833 0.03899  0.00319  -0.21441 762 THR A C   
961  O O   . THR A 167 ? 0.90667 1.13050 1.03248 0.03827  0.01940  -0.22351 762 THR A O   
962  C CB  . THR A 167 ? 0.89061 1.20910 1.20428 0.12923  -0.04384 -0.21972 762 THR A CB  
963  O OG1 . THR A 167 ? 0.93003 1.20745 1.30081 0.16420  -0.06335 -0.21147 762 THR A OG1 
964  C CG2 . THR A 167 ? 0.82718 1.20547 1.17672 0.16998  -0.04620 -0.24944 762 THR A CG2 
965  N N   . ASP A 168 ? 0.91670 1.22905 1.06110 -0.00623 -0.00232 -0.20022 763 ASP A N   
966  C CA  . ASP A 168 ? 0.91530 1.26293 1.00499 -0.06379 0.01122  -0.19571 763 ASP A CA  
967  C C   . ASP A 168 ? 0.95060 1.17770 0.95208 -0.10114 0.03519  -0.19434 763 ASP A C   
968  O O   . ASP A 168 ? 0.95577 1.19000 0.91438 -0.13992 0.04775  -0.18977 763 ASP A O   
969  C CB  . ASP A 168 ? 0.91896 1.33745 1.00306 -0.11252 -0.00197 -0.18071 763 ASP A CB  
970  C CG  . ASP A 168 ? 0.90150 1.41391 1.07081 -0.07068 -0.03080 -0.17665 763 ASP A CG  
971  O OD1 . ASP A 168 ? 0.87501 1.42576 1.11408 -0.00850 -0.04045 -0.19033 763 ASP A OD1 
972  O OD2 . ASP A 168 ? 0.93476 1.48172 1.10044 -0.09904 -0.04651 -0.16061 763 ASP A OD2 
973  N N   . LEU A 169 ? 0.99327 1.11163 0.96900 -0.08944 0.04148  -0.19671 764 LEU A N   
974  C CA  . LEU A 169 ? 1.02310 1.02261 0.91481 -0.12248 0.06169  -0.19849 764 LEU A CA  
975  C C   . LEU A 169 ? 1.03784 0.98245 0.91937 -0.09182 0.07416  -0.20471 764 LEU A C   
976  O O   . LEU A 169 ? 1.08926 0.97336 0.90675 -0.12617 0.08696  -0.19967 764 LEU A O   
977  C CB  . LEU A 169 ? 1.04454 0.96588 0.91418 -0.11810 0.06551  -0.20144 764 LEU A CB  
978  C CG  . LEU A 169 ? 1.06250 0.96538 0.86996 -0.17685 0.06544  -0.19958 764 LEU A CG  
979  C CD1 . LEU A 169 ? 1.00739 0.80601 0.72672 -0.22035 0.08188  -0.20980 764 LEU A CD1 
980  C CD2 . LEU A 169 ? 1.01933 1.04167 0.85032 -0.21252 0.04522  -0.18762 764 LEU A CD2 
981  N N   . ILE A 170 ? 0.99462 0.95751 0.93824 -0.02866 0.06745  -0.21444 765 ILE A N   
982  C CA  . ILE A 170 ? 1.03090 0.95771 0.96688 0.00309  0.07487  -0.22102 765 ILE A CA  
983  C C   . ILE A 170 ? 1.01408 1.02172 0.94119 -0.01367 0.07666  -0.21506 765 ILE A C   
984  O O   . ILE A 170 ? 0.99182 0.95917 0.87424 -0.01802 0.08728  -0.20836 765 ILE A O   
985  C CB  . ILE A 170 ? 0.97745 0.91113 0.98635 0.07137  0.06279  -0.23691 765 ILE A CB  
986  C CG1 . ILE A 170 ? 0.93661 0.87187 0.94707 0.10689  0.06354  -0.24703 765 ILE A CG1 
987  C CG2 . ILE A 170 ? 0.96352 0.99409 1.05020 0.09293  0.04174  -0.24168 765 ILE A CG2 
988  C CD1 . ILE A 170 ? 1.13736 0.96332 1.08125 0.09933  0.07917  -0.24001 765 ILE A CD1 
989  N N   . VAL A 171 ? 0.94326 1.07232 0.91359 -0.02174 0.06637  -0.21503 766 VAL A N   
990  C CA  . VAL A 171 ? 0.92579 1.14749 0.88235 -0.05102 0.07287  -0.20571 766 VAL A CA  
991  C C   . VAL A 171 ? 0.99914 1.14816 0.86859 -0.12259 0.08859  -0.18204 766 VAL A C   
992  O O   . VAL A 171 ? 1.01447 1.15474 0.84317 -0.13819 0.10011  -0.16791 766 VAL A O   
993  C CB  . VAL A 171 ? 0.86648 1.22918 0.88118 -0.05755 0.05985  -0.20797 766 VAL A CB  
994  C CG1 . VAL A 171 ? 0.77144 1.26122 0.80018 -0.05881 0.06646  -0.20796 766 VAL A CG1 
995  C CG2 . VAL A 171 ? 0.84103 1.22887 0.93644 0.00453  0.03822  -0.22692 766 VAL A CG2 
996  N N   . ARG A 172 ? 1.02708 1.11721 0.86436 -0.16715 0.08725  -0.17728 767 ARG A N   
997  C CA  . ARG A 172 ? 1.08874 1.08952 0.84361 -0.23614 0.09744  -0.16121 767 ARG A CA  
998  C C   . ARG A 172 ? 1.16550 1.03998 0.86868 -0.21950 0.10901  -0.15634 767 ARG A C   
999  O O   . ARG A 172 ? 1.24109 1.08149 0.89171 -0.26151 0.11677  -0.13431 767 ARG A O   
1000 C CB  . ARG A 172 ? 1.05243 0.99542 0.78191 -0.26827 0.09174  -0.16922 767 ARG A CB  
1001 C CG  . ARG A 172 ? 1.05193 0.90838 0.70090 -0.34443 0.09633  -0.16091 767 ARG A CG  
1002 C CD  . ARG A 172 ? 1.10802 0.90926 0.72763 -0.36705 0.09010  -0.17764 767 ARG A CD  
1003 N NE  . ARG A 172 ? 1.03593 0.95905 0.68859 -0.39872 0.07414  -0.17512 767 ARG A NE  
1004 C CZ  . ARG A 172 ? 1.06860 0.97484 0.69308 -0.42954 0.06468  -0.18615 767 ARG A CZ  
1005 N NH1 . ARG A 172 ? 1.13254 0.90850 0.69521 -0.43134 0.07221  -0.20484 767 ARG A NH1 
1006 N NH2 . ARG A 172 ? 1.04292 1.07166 0.70024 -0.45795 0.04668  -0.17981 767 ARG A NH2 
1007 N N   . ILE A 173 ? 1.16525 0.97298 0.88619 -0.15849 0.10866  -0.17335 768 ILE A N   
1008 C CA  . ILE A 173 ? 1.20552 0.90061 0.88541 -0.13390 0.11652  -0.16978 768 ILE A CA  
1009 C C   . ILE A 173 ? 1.27196 1.02388 0.95243 -0.12011 0.11813  -0.15398 768 ILE A C   
1010 O O   . ILE A 173 ? 1.37587 1.04980 0.99912 -0.13365 0.12403  -0.13367 768 ILE A O   
1011 C CB  . ILE A 173 ? 1.22431 0.86823 0.94011 -0.06828 0.11465  -0.19180 768 ILE A CB  
1012 C CG1 . ILE A 173 ? 1.26582 0.87426 0.97964 -0.08265 0.11556  -0.20465 768 ILE A CG1 
1013 C CG2 . ILE A 173 ? 1.25823 0.79246 0.93618 -0.03935 0.12058  -0.18868 768 ILE A CG2 
1014 C CD1 . ILE A 173 ? 1.25298 0.77185 0.96882 -0.03832 0.12219  -0.21987 768 ILE A CD1 
1015 N N   . LEU A 174 ? 1.19069 1.07872 0.93372 -0.09021 0.11185  -0.16327 769 LEU A N   
1016 C CA  . LEU A 174 ? 1.20177 1.15066 0.94668 -0.06224 0.11349  -0.15692 769 LEU A CA  
1017 C C   . LEU A 174 ? 1.23357 1.24670 0.93655 -0.12408 0.12401  -0.12492 769 LEU A C   
1018 O O   . LEU A 174 ? 1.28313 1.28996 0.94535 -0.12459 0.13030  -0.10297 769 LEU A O   
1019 C CB  . LEU A 174 ? 1.08143 1.14523 0.90924 0.00036  0.10148  -0.18754 769 LEU A CB  
1020 C CG  . LEU A 174 ? 1.05305 1.04282 0.91614 0.06166  0.09088  -0.21150 769 LEU A CG  
1021 C CD1 . LEU A 174 ? 1.03871 1.12428 0.97821 0.12418  0.07512  -0.24266 769 LEU A CD1 
1022 C CD2 . LEU A 174 ? 1.12970 1.00960 0.93692 0.07205  0.09634  -0.19880 769 LEU A CD2 
1023 N N   . LYS A 175 ? 1.22986 1.31085 0.94266 -0.17895 0.12513  -0.11852 770 LYS A N   
1024 C CA  . LYS A 175 ? 1.26826 1.40645 0.94239 -0.25113 0.13569  -0.08366 770 LYS A CA  
1025 C C   . LYS A 175 ? 1.37614 1.36927 0.96429 -0.29369 0.14221  -0.04950 770 LYS A C   
1026 O O   . LYS A 175 ? 1.43405 1.46172 0.98456 -0.33502 0.15148  -0.01259 770 LYS A O   
1027 C CB  . LYS A 175 ? 1.20641 1.40728 0.89925 -0.31113 0.13179  -0.08270 770 LYS A CB  
1028 N N   . ASN A 176 ? 1.43827 1.27034 0.99555 -0.28253 0.13730  -0.06003 771 ASN A N   
1029 C CA  . ASN A 176 ? 1.53683 1.21256 1.01764 -0.30561 0.13950  -0.03315 771 ASN A CA  
1030 C C   . ASN A 176 ? 1.56476 1.25625 1.02797 -0.26853 0.14251  -0.00983 771 ASN A C   
1031 O O   . ASN A 176 ? 1.63044 1.28123 1.03483 -0.31346 0.14647  0.03434  771 ASN A O   
1032 C CB  . ASN A 176 ? 1.57645 1.10146 1.04424 -0.27312 0.13452  -0.06093 771 ASN A CB  
1033 C CG  . ASN A 176 ? 1.72888 1.07517 1.11773 -0.30268 0.13384  -0.04014 771 ASN A CG  
1034 O OD1 . ASN A 176 ? 1.78762 1.09068 1.12836 -0.37934 0.13332  -0.01408 771 ASN A OD1 
1035 N ND2 . ASN A 176 ? 1.76106 1.00009 1.14101 -0.24129 0.13172  -0.05358 771 ASN A ND2 
1036 N N   . TYR A 177 ? 1.48573 1.23680 0.99816 -0.18874 0.13839  -0.03742 772 TYR A N   
1037 C CA  . TYR A 177 ? 1.45641 1.23073 0.95208 -0.14677 0.13769  -0.02217 772 TYR A CA  
1038 C C   . TYR A 177 ? 1.40926 1.36839 0.92843 -0.14877 0.14494  -0.01643 772 TYR A C   
1039 O O   . TYR A 177 ? 1.32915 1.35667 0.86560 -0.08949 0.14104  -0.03047 772 TYR A O   
1040 C CB  . TYR A 177 ? 1.40366 1.13503 0.93676 -0.06101 0.12620  -0.05804 772 TYR A CB  
1041 C CG  . TYR A 177 ? 1.46617 1.03605 0.98279 -0.05511 0.12295  -0.06775 772 TYR A CG  
1042 C CD1 . TYR A 177 ? 1.45775 1.01210 1.00755 -0.06472 0.12384  -0.09579 772 TYR A CD1 
1043 C CD2 . TYR A 177 ? 1.51371 0.95158 0.97884 -0.03936 0.11904  -0.04795 772 TYR A CD2 
1044 C CE1 . TYR A 177 ? 1.56536 0.98392 1.09560 -0.05829 0.12422  -0.10802 772 TYR A CE1 
1045 C CE2 . TYR A 177 ? 1.58070 0.87850 1.03228 -0.02875 0.11795  -0.06193 772 TYR A CE2 
1046 C CZ  . TYR A 177 ? 1.63152 0.92306 1.11435 -0.03864 0.12230  -0.09385 772 TYR A CZ  
1047 O OH  . TYR A 177 ? 1.67334 0.83674 1.13881 -0.02616 0.12433  -0.11145 772 TYR A OH  
1048 N N   . GLU A 178 ? 1.39931 1.44766 0.92135 -0.21460 0.15484  0.00021  773 GLU A N   
1049 C CA  . GLU A 178 ? 1.31557 1.54789 0.85327 -0.22768 0.16664  0.01165  773 GLU A CA  
1050 C C   . GLU A 178 ? 1.27030 1.62564 0.86890 -0.14193 0.16154  -0.03433 773 GLU A C   
1051 O O   . GLU A 178 ? 1.23861 1.71074 0.82721 -0.12592 0.16988  -0.02722 773 GLU A O   
1052 C CB  . GLU A 178 ? 1.42562 1.64413 0.88551 -0.27347 0.17750  0.07174  773 GLU A CB  
1053 C CG  . GLU A 178 ? 1.57485 1.67695 0.97716 -0.36943 0.18015  0.11998  773 GLU A CG  
1054 C CD  . GLU A 178 ? 1.63751 1.53539 0.96786 -0.36987 0.17070  0.15075  773 GLU A CD  
1055 O OE1 . GLU A 178 ? 1.56975 1.45510 0.87253 -0.32160 0.16786  0.16479  773 GLU A OE1 
1056 O OE2 . GLU A 178 ? 1.68675 1.43664 0.98845 -0.41541 0.16401  0.15791  773 GLU A OE2 
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