data_9HSN
# 
_entry.id   9HSN 
# 
_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   9HSN         pdb_00009hsn 10.2210/pdb9hsn/pdb 
WWPDB D_1292144115 ?            ?                   
# 
_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                        9HSN 
_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 1-cyclopropylmethanamine
;
_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 BETA-MERCAPTOETHANOL                     78.133    1  ?        ? ? ?                                            
3 non-polymer syn cyclopropylmethanamine                   71.121    1  ?        ? ? ?                                            
4 water       nat water                                    18.015    72 ?        ? ? ?                                            
# 
_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 BETA-MERCAPTOETHANOL   BME 
3 cyclopropylmethanamine 9L6 
4 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 
9L6 non-polymer         . cyclopropylmethanamine ? 'C4 H9 N'        71.121  
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 
BME non-polymer         . BETA-MERCAPTOETHANOL   ? 'C2 H6 O S'      78.133  
CYS 'L-peptide linking' y CYSTEINE               ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE              ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'        ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE              ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                  ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE             ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                 ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE             ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE          ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                 ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE              ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN             ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE               ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                 ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 729 ?   ?   ?   A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 773 GLU GLU A . n 
A 1 179 ASP 179 774 774 ASP ASP A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        9L6 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   9L6 
_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 BME 1  801 801 BME BME A . 
C 3 9L6 1  802 1   9L6 LIG A . 
D 4 HOH 1  901 48  HOH HOH A . 
D 4 HOH 2  902 7   HOH HOH A . 
D 4 HOH 3  903 47  HOH HOH A . 
D 4 HOH 4  904 39  HOH HOH A . 
D 4 HOH 5  905 54  HOH HOH A . 
D 4 HOH 6  906 32  HOH HOH A . 
D 4 HOH 7  907 2   HOH HOH A . 
D 4 HOH 8  908 62  HOH HOH A . 
D 4 HOH 9  909 20  HOH HOH A . 
D 4 HOH 10 910 1   HOH HOH A . 
D 4 HOH 11 911 4   HOH HOH A . 
D 4 HOH 12 912 15  HOH HOH A . 
D 4 HOH 13 913 61  HOH HOH A . 
D 4 HOH 14 914 64  HOH HOH A . 
D 4 HOH 15 915 6   HOH HOH A . 
D 4 HOH 16 916 24  HOH HOH A . 
D 4 HOH 17 917 40  HOH HOH A . 
D 4 HOH 18 918 9   HOH HOH A . 
D 4 HOH 19 919 63  HOH HOH A . 
D 4 HOH 20 920 28  HOH HOH A . 
D 4 HOH 21 921 17  HOH HOH A . 
D 4 HOH 22 922 45  HOH HOH A . 
D 4 HOH 23 923 37  HOH HOH A . 
D 4 HOH 24 924 58  HOH HOH A . 
D 4 HOH 25 925 5   HOH HOH A . 
D 4 HOH 26 926 68  HOH HOH A . 
D 4 HOH 27 927 50  HOH HOH A . 
D 4 HOH 28 928 56  HOH HOH A . 
D 4 HOH 29 929 30  HOH HOH A . 
D 4 HOH 30 930 8   HOH HOH A . 
D 4 HOH 31 931 3   HOH HOH A . 
D 4 HOH 32 932 34  HOH HOH A . 
D 4 HOH 33 933 65  HOH HOH A . 
D 4 HOH 34 934 23  HOH HOH A . 
D 4 HOH 35 935 10  HOH HOH A . 
D 4 HOH 36 936 18  HOH HOH A . 
D 4 HOH 37 937 44  HOH HOH A . 
D 4 HOH 38 938 21  HOH HOH A . 
D 4 HOH 39 939 72  HOH HOH A . 
D 4 HOH 40 940 14  HOH HOH A . 
D 4 HOH 41 941 26  HOH HOH A . 
D 4 HOH 42 942 11  HOH HOH A . 
D 4 HOH 43 943 33  HOH HOH A . 
D 4 HOH 44 944 16  HOH HOH A . 
D 4 HOH 45 945 71  HOH HOH A . 
D 4 HOH 46 946 25  HOH HOH A . 
D 4 HOH 47 947 22  HOH HOH A . 
D 4 HOH 48 948 13  HOH HOH A . 
D 4 HOH 49 949 19  HOH HOH A . 
D 4 HOH 50 950 60  HOH HOH A . 
D 4 HOH 51 951 57  HOH HOH A . 
D 4 HOH 52 952 41  HOH HOH A . 
D 4 HOH 53 953 59  HOH HOH A . 
D 4 HOH 54 954 36  HOH HOH A . 
D 4 HOH 55 955 67  HOH HOH A . 
D 4 HOH 56 956 53  HOH HOH A . 
D 4 HOH 57 957 55  HOH HOH A . 
D 4 HOH 58 958 38  HOH HOH A . 
D 4 HOH 59 959 31  HOH HOH A . 
D 4 HOH 60 960 12  HOH HOH A . 
D 4 HOH 61 961 52  HOH HOH A . 
D 4 HOH 62 962 69  HOH HOH A . 
D 4 HOH 63 963 51  HOH HOH A . 
D 4 HOH 64 964 46  HOH HOH A . 
D 4 HOH 65 965 35  HOH HOH A . 
D 4 HOH 66 966 27  HOH HOH A . 
D 4 HOH 67 967 49  HOH HOH A . 
D 4 HOH 68 968 29  HOH HOH A . 
D 4 HOH 69 969 43  HOH HOH A . 
D 4 HOH 70 970 42  HOH HOH A . 
D 4 HOH 71 971 70  HOH HOH A . 
D 4 HOH 72 972 66  HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
6  1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
7  1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
8  1 Y 1 A GLN 754 ? CG  ? A GLN 159 CG  
9  1 Y 1 A GLN 754 ? CD  ? A GLN 159 CD  
10 1 Y 1 A GLN 754 ? OE1 ? A GLN 159 OE1 
11 1 Y 1 A GLN 754 ? NE2 ? A GLN 159 NE2 
12 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
13 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
14 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
15 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
16 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
17 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
18 1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
19 1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
20 1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
21 1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
22 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
23 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
24 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
25 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                     9HSN 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.269 
_cell.length_a_esd                 ? 
_cell.length_b                     69.000 
_cell.length_b_esd                 ? 
_cell.length_c                     118.902 
_cell.length_c_esd                 ? 
_cell.volume                       412418.840 
_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                         9HSN 
_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                   9HSN 
_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          50.74 
_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 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-10 
_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   0.8856 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-2 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          38.91 
_reflns.entry_id                                       9HSN 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.900 
_reflns.d_resolution_low                               46.301 
_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                                     21153 
_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                           66.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.084 
_reflns.pdbx_Rpim_I_all                                0.040 
_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                              0.073 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.900 
_reflns_shell.d_res_low                                     2.088 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           1976 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             560 
_reflns_shell.percent_possible_obs                          13.7 
_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                               3.5 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.5 
_reflns_shell.pdbx_Rrim_I_all                               1.050 
_reflns_shell.pdbx_Rpim_I_all                               0.518 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.904 
_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                               44.19 
_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                                 9HSN 
_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                             46.30 
_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                     21153 
_refine.ls_number_reflns_R_free                  1126 
_refine.ls_number_reflns_R_work                  20027 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    89.51 
_refine.ls_percent_reflns_R_free                 5.32 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2054 
_refine.ls_R_factor_R_free                       0.2268 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2040 
_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                 29.9618 
_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                            0.2342 
_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                        46.30 
_refine_hist.number_atoms_solvent             72 
_refine_hist.number_atoms_total               1132 
_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        1051 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         9 
_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' ? 0.0070  ? 1080 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7695  ? 1462 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0514  ? 171  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0046  ? 179  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.7984 ? 390  ? 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  . . 152 2626 94.88 . . . . 0.2928 . . . . . . . . . . . 0.3388 
'X-RAY DIFFRACTION' 2.19 2.30  . . 114 2400 84.45 . . . . 0.2802 . . . . . . . . . . . 0.3174 
'X-RAY DIFFRACTION' 2.30 2.45  . . 153 2595 93.37 . . . . 0.2629 . . . . . . . . . . . 0.3006 
'X-RAY DIFFRACTION' 2.45 2.63  . . 131 2600 92.73 . . . . 0.2369 . . . . . . . . . . . 0.3075 
'X-RAY DIFFRACTION' 2.63 2.90  . . 121 2443 86.86 . . . . 0.2458 . . . . . . . . . . . 0.2604 
'X-RAY DIFFRACTION' 2.90 3.32  . . 161 2595 92.89 . . . . 0.2125 . . . . . . . . . . . 0.2447 
'X-RAY DIFFRACTION' 3.32 4.18  . . 134 2224 80.04 . . . . 0.1815 . . . . . . . . . . . 0.2218 
'X-RAY DIFFRACTION' 4.18 46.30 . . 160 2544 91.17 . . . . 0.1623 . . . . . . . . . . . 0.1716 
# 
_struct.entry_id                     9HSN 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-cyclopropylmethanamine
;
_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        9HSN 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_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              9HSN 
_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 9HSN GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSN HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSN MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSN ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSN ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSN ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSN ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSN ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSN ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSN ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSN ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSN ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSN ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSN ?   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)' 2500  ? 
1 MORE         -10   ? 
1 'SSA (A^2)'  14280 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -69.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? GLY A 87  ? SER A 655 GLY A 664 1 ? 10 
HELX_P HELX_P3 AA3 THR A 92  ? HIS A 102 ? THR A 669 HIS A 679 1 ? 11 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       1.80 
# 
_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 ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N HIS A 132 ? N HIS A 709 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSN 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 964 ? ? O A HOH 971 ? ? 1.94 
2 1 OE2 A GLU 685 ? ? O A HOH 901 ? ? 2.11 
3 1 OE1 A GLU 658 ? ? O A HOH 902 ? ? 2.11 
4 1 O   A HOH 935 ? ? O A HOH 940 ? ? 2.16 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    GLN 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     754 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -39.96 
_pdbx_validate_torsion.psi             159.56 
# 
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 -2.53470336491 -22.8515628384 -22.2888442408 0.225154349082 ? 0.0200604797468   ? 0.0330887059308  
? 0.211685855994 ? -0.00465772942103 ? 0.196232885654 ? 5.24455249411 ? 0.34101119666  ? 1.19248179372   ? 4.64890371594 ? 
-0.256316185237 ? 3.0341673593  ? -0.0607637055506 ? -0.223647102551 ? 0.25265802655   ? 0.262611569081   ? 0.0324383974953 ? 
0.0535173810108 ? -0.252276064557 ? 0.00885143356789 ? 0.00977616100163 ? 
2 'X-RAY DIFFRACTION' ? refined -11.4902402773 -12.6992059817 -28.6767920452 0.397665451061 ? -0.00510387336673 ? -0.0918340009151 
? 0.381776798929 ? -0.0171906354988  ? 0.363451862768 ? 2.12318435564 ? -1.29925259851 ? -0.418677391352 ? 8.66524062595 ? 
1.74647485809   ? 5.33850786461 ? 0.179218057399   ? -0.696376675304 ? 0.579403586785  ? 0.506205212492   ? -0.367974899579 ? 
0.0721434532744 ? -0.648729670442 ? -0.0119295473656 ? 0.127501356679   ? 
3 'X-RAY DIFFRACTION' ? refined -7.49972334996 -37.6710794907 -5.18549761009 0.471551077298 ? -0.0159839300397  ? 0.0384133608512  
? 0.565829428891 ? -0.0260513734074  ? 0.313918987647 ? 4.28200826629 ? -4.25263130171 ? 3.98330975788   ? 9.38316058983 ? 
-6.78661617415  ? 6.51986291099 ? 0.209194201472   ? 0.056138164801  ? -0.116000663657 ? -0.0344579330836 ? 0.201238041157  ? 
0.622383726759  ? 0.164661327866  ? -0.889066769705  ? -0.436709929818  ? 
# 
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 80  A 695 ? ? 
;chain 'A' and (resid 616 through 695 )
;
2 'X-RAY DIFFRACTION' 2 A 81  A 696 ? A 109 A 752 ? ? 
;chain 'A' and (resid 696 through 752 )
;
3 'X-RAY DIFFRACTION' 3 A 110 A 753 ? A 131 A 774 ? ? 
;chain 'A' and (resid 753 through 774 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ASP 729 ? A ASP 134 
40 1 Y 1 A ILE 730 ? A ILE 135 
41 1 Y 1 A PRO 731 ? A PRO 136 
42 1 Y 1 A TYR 732 ? A TYR 137 
43 1 Y 1 A ALA 733 ? A ALA 138 
44 1 Y 1 A ASN 734 ? A ASN 139 
45 1 Y 1 A ASN 735 ? A ASN 140 
46 1 Y 1 A GLN 736 ? A GLN 141 
47 1 Y 1 A LYS 737 ? A LYS 142 
48 1 Y 1 A GLU 738 ? A GLU 143 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
9L6 C02  C N N 1   
9L6 C03  C N N 2   
9L6 C04  C N N 3   
9L6 C05  C N N 4   
9L6 N01  N N N 5   
9L6 H1   H N N 6   
9L6 H2   H N N 7   
9L6 H3   H N N 8   
9L6 H4   H N N 9   
9L6 H5   H N N 10  
9L6 H6   H N N 11  
9L6 H7   H N N 12  
9L6 H8   H N N 13  
9L6 H9   H N N 14  
ALA N    N N N 15  
ALA CA   C N S 16  
ALA C    C N N 17  
ALA O    O N N 18  
ALA CB   C N N 19  
ALA OXT  O N N 20  
ALA H    H N N 21  
ALA H2   H N N 22  
ALA HA   H N N 23  
ALA HB1  H N N 24  
ALA HB2  H N N 25  
ALA HB3  H N N 26  
ALA HXT  H N N 27  
ARG N    N N N 28  
ARG CA   C N S 29  
ARG C    C N N 30  
ARG O    O N N 31  
ARG CB   C N N 32  
ARG CG   C N N 33  
ARG CD   C N N 34  
ARG NE   N N N 35  
ARG CZ   C N N 36  
ARG NH1  N N N 37  
ARG NH2  N N N 38  
ARG OXT  O N N 39  
ARG H    H N N 40  
ARG H2   H N N 41  
ARG HA   H N N 42  
ARG HB2  H N N 43  
ARG HB3  H N N 44  
ARG HG2  H N N 45  
ARG HG3  H N N 46  
ARG HD2  H N N 47  
ARG HD3  H N N 48  
ARG HE   H N N 49  
ARG HH11 H N N 50  
ARG HH12 H N N 51  
ARG HH21 H N N 52  
ARG HH22 H N N 53  
ARG HXT  H N N 54  
ASN N    N N N 55  
ASN CA   C N S 56  
ASN C    C N N 57  
ASN O    O N N 58  
ASN CB   C N N 59  
ASN CG   C N N 60  
ASN OD1  O N N 61  
ASN ND2  N N N 62  
ASN OXT  O N N 63  
ASN H    H N N 64  
ASN H2   H N N 65  
ASN HA   H N N 66  
ASN HB2  H N N 67  
ASN HB3  H N N 68  
ASN HD21 H N N 69  
ASN HD22 H N N 70  
ASN HXT  H N N 71  
ASP N    N N N 72  
ASP CA   C N S 73  
ASP C    C N N 74  
ASP O    O N N 75  
ASP CB   C N N 76  
ASP CG   C N N 77  
ASP OD1  O N N 78  
ASP OD2  O N N 79  
ASP OXT  O N N 80  
ASP H    H N N 81  
ASP H2   H N N 82  
ASP HA   H N N 83  
ASP HB2  H N N 84  
ASP HB3  H N N 85  
ASP HD2  H N N 86  
ASP HXT  H N N 87  
BME C1   C N N 88  
BME C2   C N N 89  
BME O1   O N N 90  
BME S2   S N N 91  
BME H11  H N N 92  
BME H12  H N N 93  
BME H21  H N N 94  
BME H22  H N N 95  
BME HO1  H N N 96  
BME HS2  H N N 97  
CYS N    N N N 98  
CYS CA   C N R 99  
CYS C    C N N 100 
CYS O    O N N 101 
CYS CB   C N N 102 
CYS SG   S N N 103 
CYS OXT  O N N 104 
CYS H    H N N 105 
CYS H2   H N N 106 
CYS HA   H N N 107 
CYS HB2  H N N 108 
CYS HB3  H N N 109 
CYS HG   H N N 110 
CYS HXT  H N N 111 
GLN N    N N N 112 
GLN CA   C N S 113 
GLN C    C N N 114 
GLN O    O N N 115 
GLN CB   C N N 116 
GLN CG   C N N 117 
GLN CD   C N N 118 
GLN OE1  O N N 119 
GLN NE2  N N N 120 
GLN OXT  O N N 121 
GLN H    H N N 122 
GLN H2   H N N 123 
GLN HA   H N N 124 
GLN HB2  H N N 125 
GLN HB3  H N N 126 
GLN HG2  H N N 127 
GLN HG3  H N N 128 
GLN HE21 H N N 129 
GLN HE22 H N N 130 
GLN HXT  H N N 131 
GLU N    N N N 132 
GLU CA   C N S 133 
GLU C    C N N 134 
GLU O    O N N 135 
GLU CB   C N N 136 
GLU CG   C N N 137 
GLU CD   C N N 138 
GLU OE1  O N N 139 
GLU OE2  O N N 140 
GLU OXT  O N N 141 
GLU H    H N N 142 
GLU H2   H N N 143 
GLU HA   H N N 144 
GLU HB2  H N N 145 
GLU HB3  H N N 146 
GLU HG2  H N N 147 
GLU HG3  H N N 148 
GLU HE2  H N N 149 
GLU HXT  H N N 150 
GLY N    N N N 151 
GLY CA   C N N 152 
GLY C    C N N 153 
GLY O    O N N 154 
GLY OXT  O N N 155 
GLY H    H N N 156 
GLY H2   H N N 157 
GLY HA2  H N N 158 
GLY HA3  H N N 159 
GLY HXT  H N N 160 
HIS N    N N N 161 
HIS CA   C N S 162 
HIS C    C N N 163 
HIS O    O N N 164 
HIS CB   C N N 165 
HIS CG   C Y N 166 
HIS ND1  N Y N 167 
HIS CD2  C Y N 168 
HIS CE1  C Y N 169 
HIS NE2  N Y N 170 
HIS OXT  O N N 171 
HIS H    H N N 172 
HIS H2   H N N 173 
HIS HA   H N N 174 
HIS HB2  H N N 175 
HIS HB3  H N N 176 
HIS HD1  H N N 177 
HIS HD2  H N N 178 
HIS HE1  H N N 179 
HIS HE2  H N N 180 
HIS HXT  H N N 181 
HOH O    O N N 182 
HOH H1   H N N 183 
HOH H2   H N N 184 
ILE N    N N N 185 
ILE CA   C N S 186 
ILE C    C N N 187 
ILE O    O N N 188 
ILE CB   C N S 189 
ILE CG1  C N N 190 
ILE CG2  C N N 191 
ILE CD1  C N N 192 
ILE OXT  O N N 193 
ILE H    H N N 194 
ILE H2   H N N 195 
ILE HA   H N N 196 
ILE HB   H N N 197 
ILE HG12 H N N 198 
ILE HG13 H N N 199 
ILE HG21 H N N 200 
ILE HG22 H N N 201 
ILE HG23 H N N 202 
ILE HD11 H N N 203 
ILE HD12 H N N 204 
ILE HD13 H N N 205 
ILE HXT  H N N 206 
LEU N    N N N 207 
LEU CA   C N S 208 
LEU C    C N N 209 
LEU O    O N N 210 
LEU CB   C N N 211 
LEU CG   C N N 212 
LEU CD1  C N N 213 
LEU CD2  C N N 214 
LEU OXT  O N N 215 
LEU H    H N N 216 
LEU H2   H N N 217 
LEU HA   H N N 218 
LEU HB2  H N N 219 
LEU HB3  H N N 220 
LEU HG   H N N 221 
LEU HD11 H N N 222 
LEU HD12 H N N 223 
LEU HD13 H N N 224 
LEU HD21 H N N 225 
LEU HD22 H N N 226 
LEU HD23 H N N 227 
LEU HXT  H N N 228 
LYS N    N N N 229 
LYS CA   C N S 230 
LYS C    C N N 231 
LYS O    O N N 232 
LYS CB   C N N 233 
LYS CG   C N N 234 
LYS CD   C N N 235 
LYS CE   C N N 236 
LYS NZ   N N N 237 
LYS OXT  O N N 238 
LYS H    H N N 239 
LYS H2   H N N 240 
LYS HA   H N N 241 
LYS HB2  H N N 242 
LYS HB3  H N N 243 
LYS HG2  H N N 244 
LYS HG3  H N N 245 
LYS HD2  H N N 246 
LYS HD3  H N N 247 
LYS HE2  H N N 248 
LYS HE3  H N N 249 
LYS HZ1  H N N 250 
LYS HZ2  H N N 251 
LYS HZ3  H N N 252 
LYS HXT  H N N 253 
MET N    N N N 254 
MET CA   C N S 255 
MET C    C N N 256 
MET O    O N N 257 
MET CB   C N N 258 
MET CG   C N N 259 
MET SD   S N N 260 
MET CE   C N N 261 
MET OXT  O N N 262 
MET H    H N N 263 
MET H2   H N N 264 
MET HA   H N N 265 
MET HB2  H N N 266 
MET HB3  H N N 267 
MET HG2  H N N 268 
MET HG3  H N N 269 
MET HE1  H N N 270 
MET HE2  H N N 271 
MET HE3  H N N 272 
MET HXT  H N N 273 
PHE N    N N N 274 
PHE CA   C N S 275 
PHE C    C N N 276 
PHE O    O N N 277 
PHE CB   C N N 278 
PHE CG   C Y N 279 
PHE CD1  C Y N 280 
PHE CD2  C Y N 281 
PHE CE1  C Y N 282 
PHE CE2  C Y N 283 
PHE CZ   C Y N 284 
PHE OXT  O N N 285 
PHE H    H N N 286 
PHE H2   H N N 287 
PHE HA   H N N 288 
PHE HB2  H N N 289 
PHE HB3  H N N 290 
PHE HD1  H N N 291 
PHE HD2  H N N 292 
PHE HE1  H N N 293 
PHE HE2  H N N 294 
PHE HZ   H N N 295 
PHE HXT  H N N 296 
PRO N    N N N 297 
PRO CA   C N S 298 
PRO C    C N N 299 
PRO O    O N N 300 
PRO CB   C N N 301 
PRO CG   C N N 302 
PRO CD   C N N 303 
PRO OXT  O N N 304 
PRO H    H N N 305 
PRO HA   H N N 306 
PRO HB2  H N N 307 
PRO HB3  H N N 308 
PRO HG2  H N N 309 
PRO HG3  H N N 310 
PRO HD2  H N N 311 
PRO HD3  H N N 312 
PRO HXT  H N N 313 
SER N    N N N 314 
SER CA   C N S 315 
SER C    C N N 316 
SER O    O N N 317 
SER CB   C N N 318 
SER OG   O N N 319 
SER OXT  O N N 320 
SER H    H N N 321 
SER H2   H N N 322 
SER HA   H N N 323 
SER HB2  H N N 324 
SER HB3  H N N 325 
SER HG   H N N 326 
SER HXT  H N N 327 
THR N    N N N 328 
THR CA   C N S 329 
THR C    C N N 330 
THR O    O N N 331 
THR CB   C N R 332 
THR OG1  O N N 333 
THR CG2  C N N 334 
THR OXT  O N N 335 
THR H    H N N 336 
THR H2   H N N 337 
THR HA   H N N 338 
THR HB   H N N 339 
THR HG1  H N N 340 
THR HG21 H N N 341 
THR HG22 H N N 342 
THR HG23 H N N 343 
THR HXT  H N N 344 
TRP N    N N N 345 
TRP CA   C N S 346 
TRP C    C N N 347 
TRP O    O N N 348 
TRP CB   C N N 349 
TRP CG   C Y N 350 
TRP CD1  C Y N 351 
TRP CD2  C Y N 352 
TRP NE1  N Y N 353 
TRP CE2  C Y N 354 
TRP CE3  C Y N 355 
TRP CZ2  C Y N 356 
TRP CZ3  C Y N 357 
TRP CH2  C Y N 358 
TRP OXT  O N N 359 
TRP H    H N N 360 
TRP H2   H N N 361 
TRP HA   H N N 362 
TRP HB2  H N N 363 
TRP HB3  H N N 364 
TRP HD1  H N N 365 
TRP HE1  H N N 366 
TRP HE3  H N N 367 
TRP HZ2  H N N 368 
TRP HZ3  H N N 369 
TRP HH2  H N N 370 
TRP HXT  H N N 371 
TYR N    N N N 372 
TYR CA   C N S 373 
TYR C    C N N 374 
TYR O    O N N 375 
TYR CB   C N N 376 
TYR CG   C Y N 377 
TYR CD1  C Y N 378 
TYR CD2  C Y N 379 
TYR CE1  C Y N 380 
TYR CE2  C Y N 381 
TYR CZ   C Y N 382 
TYR OH   O N N 383 
TYR OXT  O N N 384 
TYR H    H N N 385 
TYR H2   H N N 386 
TYR HA   H N N 387 
TYR HB2  H N N 388 
TYR HB3  H N N 389 
TYR HD1  H N N 390 
TYR HD2  H N N 391 
TYR HE1  H N N 392 
TYR HE2  H N N 393 
TYR HH   H N N 394 
TYR HXT  H N N 395 
VAL N    N N N 396 
VAL CA   C N S 397 
VAL C    C N N 398 
VAL O    O N N 399 
VAL CB   C N N 400 
VAL CG1  C N N 401 
VAL CG2  C N N 402 
VAL OXT  O N N 403 
VAL H    H N N 404 
VAL H2   H N N 405 
VAL HA   H N N 406 
VAL HB   H N N 407 
VAL HG11 H N N 408 
VAL HG12 H N N 409 
VAL HG13 H N N 410 
VAL HG21 H N N 411 
VAL HG22 H N N 412 
VAL HG23 H N N 413 
VAL HXT  H N N 414 
# 
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 
9L6 N01 C02  sing N N 1   
9L6 C02 C03  sing N N 2   
9L6 C03 C04  sing N N 3   
9L6 C03 C05  sing N N 4   
9L6 C04 C05  sing N N 5   
9L6 C02 H1   sing N N 6   
9L6 C02 H2   sing N N 7   
9L6 C03 H3   sing N N 8   
9L6 C04 H4   sing N N 9   
9L6 C04 H5   sing N N 10  
9L6 C05 H6   sing N N 11  
9L6 C05 H7   sing N N 12  
9L6 N01 H8   sing N N 13  
9L6 N01 H9   sing N N 14  
ALA N   CA   sing N N 15  
ALA N   H    sing N N 16  
ALA N   H2   sing N N 17  
ALA CA  C    sing N N 18  
ALA CA  CB   sing N N 19  
ALA CA  HA   sing N N 20  
ALA C   O    doub N N 21  
ALA C   OXT  sing N N 22  
ALA CB  HB1  sing N N 23  
ALA CB  HB2  sing N N 24  
ALA CB  HB3  sing N N 25  
ALA OXT HXT  sing N N 26  
ARG N   CA   sing N N 27  
ARG N   H    sing N N 28  
ARG N   H2   sing N N 29  
ARG CA  C    sing N N 30  
ARG CA  CB   sing N N 31  
ARG CA  HA   sing N N 32  
ARG C   O    doub N N 33  
ARG C   OXT  sing N N 34  
ARG CB  CG   sing N N 35  
ARG CB  HB2  sing N N 36  
ARG CB  HB3  sing N N 37  
ARG CG  CD   sing N N 38  
ARG CG  HG2  sing N N 39  
ARG CG  HG3  sing N N 40  
ARG CD  NE   sing N N 41  
ARG CD  HD2  sing N N 42  
ARG CD  HD3  sing N N 43  
ARG NE  CZ   sing N N 44  
ARG NE  HE   sing N N 45  
ARG CZ  NH1  sing N N 46  
ARG CZ  NH2  doub N N 47  
ARG NH1 HH11 sing N N 48  
ARG NH1 HH12 sing N N 49  
ARG NH2 HH21 sing N N 50  
ARG NH2 HH22 sing N N 51  
ARG OXT HXT  sing N N 52  
ASN N   CA   sing N N 53  
ASN N   H    sing N N 54  
ASN N   H2   sing N N 55  
ASN CA  C    sing N N 56  
ASN CA  CB   sing N N 57  
ASN CA  HA   sing N N 58  
ASN C   O    doub N N 59  
ASN C   OXT  sing N N 60  
ASN CB  CG   sing N N 61  
ASN CB  HB2  sing N N 62  
ASN CB  HB3  sing N N 63  
ASN CG  OD1  doub N N 64  
ASN CG  ND2  sing N N 65  
ASN ND2 HD21 sing N N 66  
ASN ND2 HD22 sing N N 67  
ASN OXT HXT  sing N N 68  
ASP N   CA   sing N N 69  
ASP N   H    sing N N 70  
ASP N   H2   sing N N 71  
ASP CA  C    sing N N 72  
ASP CA  CB   sing N N 73  
ASP CA  HA   sing N N 74  
ASP C   O    doub N N 75  
ASP C   OXT  sing N N 76  
ASP CB  CG   sing N N 77  
ASP CB  HB2  sing N N 78  
ASP CB  HB3  sing N N 79  
ASP CG  OD1  doub N N 80  
ASP CG  OD2  sing N N 81  
ASP OD2 HD2  sing N N 82  
ASP OXT HXT  sing N N 83  
BME C1  C2   sing N N 84  
BME C1  O1   sing N N 85  
BME C1  H11  sing N N 86  
BME C1  H12  sing N N 87  
BME C2  S2   sing N N 88  
BME C2  H21  sing N N 89  
BME C2  H22  sing N N 90  
BME O1  HO1  sing N N 91  
BME S2  HS2  sing N N 92  
CYS N   CA   sing N N 93  
CYS N   H    sing N N 94  
CYS N   H2   sing N N 95  
CYS CA  C    sing N N 96  
CYS CA  CB   sing N N 97  
CYS CA  HA   sing N N 98  
CYS C   O    doub N N 99  
CYS C   OXT  sing N N 100 
CYS CB  SG   sing N N 101 
CYS CB  HB2  sing N N 102 
CYS CB  HB3  sing N N 103 
CYS SG  HG   sing N N 104 
CYS OXT HXT  sing N N 105 
GLN N   CA   sing N N 106 
GLN N   H    sing N N 107 
GLN N   H2   sing N N 108 
GLN CA  C    sing N N 109 
GLN CA  CB   sing N N 110 
GLN CA  HA   sing N N 111 
GLN C   O    doub N N 112 
GLN C   OXT  sing N N 113 
GLN CB  CG   sing N N 114 
GLN CB  HB2  sing N N 115 
GLN CB  HB3  sing N N 116 
GLN CG  CD   sing N N 117 
GLN CG  HG2  sing N N 118 
GLN CG  HG3  sing N N 119 
GLN CD  OE1  doub N N 120 
GLN CD  NE2  sing N N 121 
GLN NE2 HE21 sing N N 122 
GLN NE2 HE22 sing N N 123 
GLN OXT HXT  sing N N 124 
GLU N   CA   sing N N 125 
GLU N   H    sing N N 126 
GLU N   H2   sing N N 127 
GLU CA  C    sing N N 128 
GLU CA  CB   sing N N 129 
GLU CA  HA   sing N N 130 
GLU C   O    doub N N 131 
GLU C   OXT  sing N N 132 
GLU CB  CG   sing N N 133 
GLU CB  HB2  sing N N 134 
GLU CB  HB3  sing N N 135 
GLU CG  CD   sing N N 136 
GLU CG  HG2  sing N N 137 
GLU CG  HG3  sing N N 138 
GLU CD  OE1  doub N N 139 
GLU CD  OE2  sing N N 140 
GLU OE2 HE2  sing N N 141 
GLU OXT HXT  sing N N 142 
GLY N   CA   sing N N 143 
GLY N   H    sing N N 144 
GLY N   H2   sing N N 145 
GLY CA  C    sing N N 146 
GLY CA  HA2  sing N N 147 
GLY CA  HA3  sing N N 148 
GLY C   O    doub N N 149 
GLY C   OXT  sing N N 150 
GLY OXT HXT  sing N N 151 
HIS N   CA   sing N N 152 
HIS N   H    sing N N 153 
HIS N   H2   sing N N 154 
HIS CA  C    sing N N 155 
HIS CA  CB   sing N N 156 
HIS CA  HA   sing N N 157 
HIS C   O    doub N N 158 
HIS C   OXT  sing N N 159 
HIS CB  CG   sing N N 160 
HIS CB  HB2  sing N N 161 
HIS CB  HB3  sing N N 162 
HIS CG  ND1  sing Y N 163 
HIS CG  CD2  doub Y N 164 
HIS ND1 CE1  doub Y N 165 
HIS ND1 HD1  sing N N 166 
HIS CD2 NE2  sing Y N 167 
HIS CD2 HD2  sing N N 168 
HIS CE1 NE2  sing Y N 169 
HIS CE1 HE1  sing N N 170 
HIS NE2 HE2  sing N N 171 
HIS OXT HXT  sing N N 172 
HOH O   H1   sing N N 173 
HOH O   H2   sing N N 174 
ILE N   CA   sing N N 175 
ILE N   H    sing N N 176 
ILE N   H2   sing N N 177 
ILE CA  C    sing N N 178 
ILE CA  CB   sing N N 179 
ILE CA  HA   sing N N 180 
ILE C   O    doub N N 181 
ILE C   OXT  sing N N 182 
ILE CB  CG1  sing N N 183 
ILE CB  CG2  sing N N 184 
ILE CB  HB   sing N N 185 
ILE CG1 CD1  sing N N 186 
ILE CG1 HG12 sing N N 187 
ILE CG1 HG13 sing N N 188 
ILE CG2 HG21 sing N N 189 
ILE CG2 HG22 sing N N 190 
ILE CG2 HG23 sing N N 191 
ILE CD1 HD11 sing N N 192 
ILE CD1 HD12 sing N N 193 
ILE CD1 HD13 sing N N 194 
ILE OXT HXT  sing N N 195 
LEU N   CA   sing N N 196 
LEU N   H    sing N N 197 
LEU N   H2   sing N N 198 
LEU CA  C    sing N N 199 
LEU CA  CB   sing N N 200 
LEU CA  HA   sing N N 201 
LEU C   O    doub N N 202 
LEU C   OXT  sing N N 203 
LEU CB  CG   sing N N 204 
LEU CB  HB2  sing N N 205 
LEU CB  HB3  sing N N 206 
LEU CG  CD1  sing N N 207 
LEU CG  CD2  sing N N 208 
LEU CG  HG   sing N N 209 
LEU CD1 HD11 sing N N 210 
LEU CD1 HD12 sing N N 211 
LEU CD1 HD13 sing N N 212 
LEU CD2 HD21 sing N N 213 
LEU CD2 HD22 sing N N 214 
LEU CD2 HD23 sing N N 215 
LEU OXT HXT  sing N N 216 
LYS N   CA   sing N N 217 
LYS N   H    sing N N 218 
LYS N   H2   sing N N 219 
LYS CA  C    sing N N 220 
LYS CA  CB   sing N N 221 
LYS CA  HA   sing N N 222 
LYS C   O    doub N N 223 
LYS C   OXT  sing N N 224 
LYS CB  CG   sing N N 225 
LYS CB  HB2  sing N N 226 
LYS CB  HB3  sing N N 227 
LYS CG  CD   sing N N 228 
LYS CG  HG2  sing N N 229 
LYS CG  HG3  sing N N 230 
LYS CD  CE   sing N N 231 
LYS CD  HD2  sing N N 232 
LYS CD  HD3  sing N N 233 
LYS CE  NZ   sing N N 234 
LYS CE  HE2  sing N N 235 
LYS CE  HE3  sing N N 236 
LYS NZ  HZ1  sing N N 237 
LYS NZ  HZ2  sing N N 238 
LYS NZ  HZ3  sing N N 239 
LYS OXT HXT  sing N N 240 
MET N   CA   sing N N 241 
MET N   H    sing N N 242 
MET N   H2   sing N N 243 
MET CA  C    sing N N 244 
MET CA  CB   sing N N 245 
MET CA  HA   sing N N 246 
MET C   O    doub N N 247 
MET C   OXT  sing N N 248 
MET CB  CG   sing N N 249 
MET CB  HB2  sing N N 250 
MET CB  HB3  sing N N 251 
MET CG  SD   sing N N 252 
MET CG  HG2  sing N N 253 
MET CG  HG3  sing N N 254 
MET SD  CE   sing N N 255 
MET CE  HE1  sing N N 256 
MET CE  HE2  sing N N 257 
MET CE  HE3  sing N N 258 
MET OXT HXT  sing N N 259 
PHE N   CA   sing N N 260 
PHE N   H    sing N N 261 
PHE N   H2   sing N N 262 
PHE CA  C    sing N N 263 
PHE CA  CB   sing N N 264 
PHE CA  HA   sing N N 265 
PHE C   O    doub N N 266 
PHE C   OXT  sing N N 267 
PHE CB  CG   sing N N 268 
PHE CB  HB2  sing N N 269 
PHE CB  HB3  sing N N 270 
PHE CG  CD1  doub Y N 271 
PHE CG  CD2  sing Y N 272 
PHE CD1 CE1  sing Y N 273 
PHE CD1 HD1  sing N N 274 
PHE CD2 CE2  doub Y N 275 
PHE CD2 HD2  sing N N 276 
PHE CE1 CZ   doub Y N 277 
PHE CE1 HE1  sing N N 278 
PHE CE2 CZ   sing Y N 279 
PHE CE2 HE2  sing N N 280 
PHE CZ  HZ   sing N N 281 
PHE OXT HXT  sing N N 282 
PRO N   CA   sing N N 283 
PRO N   CD   sing N N 284 
PRO N   H    sing N N 285 
PRO CA  C    sing N N 286 
PRO CA  CB   sing N N 287 
PRO CA  HA   sing N N 288 
PRO C   O    doub N N 289 
PRO C   OXT  sing N N 290 
PRO CB  CG   sing N N 291 
PRO CB  HB2  sing N N 292 
PRO CB  HB3  sing N N 293 
PRO CG  CD   sing N N 294 
PRO CG  HG2  sing N N 295 
PRO CG  HG3  sing N N 296 
PRO CD  HD2  sing N N 297 
PRO CD  HD3  sing N N 298 
PRO OXT HXT  sing N N 299 
SER N   CA   sing N N 300 
SER N   H    sing N N 301 
SER N   H2   sing N N 302 
SER CA  C    sing N N 303 
SER CA  CB   sing N N 304 
SER CA  HA   sing N N 305 
SER C   O    doub N N 306 
SER C   OXT  sing N N 307 
SER CB  OG   sing N N 308 
SER CB  HB2  sing N N 309 
SER CB  HB3  sing N N 310 
SER OG  HG   sing N N 311 
SER OXT HXT  sing N N 312 
THR N   CA   sing N N 313 
THR N   H    sing N N 314 
THR N   H2   sing N N 315 
THR CA  C    sing N N 316 
THR CA  CB   sing N N 317 
THR CA  HA   sing N N 318 
THR C   O    doub N N 319 
THR C   OXT  sing N N 320 
THR CB  OG1  sing N N 321 
THR CB  CG2  sing N N 322 
THR CB  HB   sing N N 323 
THR OG1 HG1  sing N N 324 
THR CG2 HG21 sing N N 325 
THR CG2 HG22 sing N N 326 
THR CG2 HG23 sing N N 327 
THR OXT HXT  sing N N 328 
TRP N   CA   sing N N 329 
TRP N   H    sing N N 330 
TRP N   H2   sing N N 331 
TRP CA  C    sing N N 332 
TRP CA  CB   sing N N 333 
TRP CA  HA   sing N N 334 
TRP C   O    doub N N 335 
TRP C   OXT  sing N N 336 
TRP CB  CG   sing N N 337 
TRP CB  HB2  sing N N 338 
TRP CB  HB3  sing N N 339 
TRP CG  CD1  doub Y N 340 
TRP CG  CD2  sing Y N 341 
TRP CD1 NE1  sing Y N 342 
TRP CD1 HD1  sing N N 343 
TRP CD2 CE2  doub Y N 344 
TRP CD2 CE3  sing Y N 345 
TRP NE1 CE2  sing Y N 346 
TRP NE1 HE1  sing N N 347 
TRP CE2 CZ2  sing Y N 348 
TRP CE3 CZ3  doub Y N 349 
TRP CE3 HE3  sing N N 350 
TRP CZ2 CH2  doub Y N 351 
TRP CZ2 HZ2  sing N N 352 
TRP CZ3 CH2  sing Y N 353 
TRP CZ3 HZ3  sing N N 354 
TRP CH2 HH2  sing N N 355 
TRP OXT HXT  sing N N 356 
TYR N   CA   sing N N 357 
TYR N   H    sing N N 358 
TYR N   H2   sing N N 359 
TYR CA  C    sing N N 360 
TYR CA  CB   sing N N 361 
TYR CA  HA   sing N N 362 
TYR C   O    doub N N 363 
TYR C   OXT  sing N N 364 
TYR CB  CG   sing N N 365 
TYR CB  HB2  sing N N 366 
TYR CB  HB3  sing N N 367 
TYR CG  CD1  doub Y N 368 
TYR CG  CD2  sing Y N 369 
TYR CD1 CE1  sing Y N 370 
TYR CD1 HD1  sing N N 371 
TYR CD2 CE2  doub Y N 372 
TYR CD2 HD2  sing N N 373 
TYR CE1 CZ   doub Y N 374 
TYR CE1 HE1  sing N N 375 
TYR CE2 CZ   sing Y N 376 
TYR CE2 HE2  sing N N 377 
TYR CZ  OH   sing N N 378 
TYR OH  HH   sing N N 379 
TYR OXT HXT  sing N N 380 
VAL N   CA   sing N N 381 
VAL N   H    sing N N 382 
VAL N   H2   sing N N 383 
VAL CA  C    sing N N 384 
VAL CA  CB   sing N N 385 
VAL CA  HA   sing N N 386 
VAL C   O    doub N N 387 
VAL C   OXT  sing N N 388 
VAL CB  CG1  sing N N 389 
VAL CB  CG2  sing N N 390 
VAL CB  HB   sing N N 391 
VAL CG1 HG11 sing N N 392 
VAL CG1 HG12 sing N N 393 
VAL CG1 HG13 sing N N 394 
VAL CG2 HG21 sing N N 395 
VAL CG2 HG22 sing N N 396 
VAL CG2 HG23 sing N N 397 
VAL OXT HXT  sing N N 398 
# 
_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                    9HSN 
_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]   0.019893 
_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]   0.014493 
_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]   0.008410 
_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  ? -9.07318  -22.33214 -45.03872 1.000 63.40770 ? 616 LYS A N   1 
ATOM   2    C CA  . LYS A 1 39  ? -10.15920 -22.88461 -44.23774 1.000 60.37454 ? 616 LYS A CA  1 
ATOM   3    C C   . LYS A 1 39  ? -9.69250  -23.05113 -42.80086 1.000 56.61093 ? 616 LYS A C   1 
ATOM   4    O O   . LYS A 1 39  ? -10.44057 -23.54484 -41.95098 1.000 55.58324 ? 616 LYS A O   1 
ATOM   5    C CB  . LYS A 1 39  ? -10.62762 -24.22752 -44.81358 1.000 61.64115 ? 616 LYS A CB  1 
ATOM   6    C CG  . LYS A 1 39  ? -11.90865 -24.77287 -44.19577 1.000 62.14591 ? 616 LYS A CG  1 
ATOM   7    C CD  . LYS A 1 39  ? -12.14120 -26.21113 -44.61930 1.000 63.15126 ? 616 LYS A CD  1 
ATOM   8    C CE  . LYS A 1 39  ? -11.80859 -26.36841 -46.07618 1.000 58.85831 ? 616 LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 39  ? -11.99697 -27.76399 -46.55144 1.000 68.15090 ? 616 LYS A NZ  1 
ATOM   10   N N   . ASN A 1 40  ? -8.45827  -22.62936 -42.51715 1.000 54.44697 ? 617 ASN A N   1 
ATOM   11   C CA  . ASN A 1 40  ? -7.91288  -22.79555 -41.17919 1.000 52.30281 ? 617 ASN A CA  1 
ATOM   12   C C   . ASN A 1 40  ? -8.35851  -21.67467 -40.25126 1.000 51.32252 ? 617 ASN A C   1 
ATOM   13   O O   . ASN A 1 40  ? -8.33971  -20.49460 -40.61465 1.000 55.02739 ? 617 ASN A O   1 
ATOM   14   C CB  . ASN A 1 40  ? -6.39298  -22.84137 -41.20845 1.000 51.67969 ? 617 ASN A CB  1 
ATOM   15   C CG  . ASN A 1 40  ? -5.82916  -23.36283 -39.92320 1.000 49.55688 ? 617 ASN A CG  1 
ATOM   16   O OD1 . ASN A 1 40  ? -6.09286  -24.50655 -39.55135 1.000 51.86511 ? 617 ASN A OD1 1 
ATOM   17   N ND2 . ASN A 1 40  ? -5.06081  -22.53469 -39.21736 1.000 47.22695 ? 617 ASN A ND2 1 
ATOM   18   N N   . VAL A 1 41  ? -8.73521  -22.05759 -39.03810 1.000 47.56704 ? 618 VAL A N   1 
ATOM   19   C CA  . VAL A 1 41  ? -9.30257  -21.15826 -38.04658 1.000 44.71402 ? 618 VAL A CA  1 
ATOM   20   C C   . VAL A 1 41  ? -8.33596  -21.12164 -36.88014 1.000 39.10971 ? 618 VAL A C   1 
ATOM   21   O O   . VAL A 1 41  ? -7.96443  -22.17310 -36.35301 1.000 40.57352 ? 618 VAL A O   1 
ATOM   22   C CB  . VAL A 1 41  ? -10.70020 -21.63743 -37.60464 1.000 43.04262 ? 618 VAL A CB  1 
ATOM   23   C CG1 . VAL A 1 41  ? -11.20996 -20.83472 -36.43740 1.000 39.07874 ? 618 VAL A CG1 1 
ATOM   24   C CG2 . VAL A 1 41  ? -11.67198 -21.55552 -38.77628 1.000 45.70335 ? 618 VAL A CG2 1 
ATOM   25   N N   . VAL A 1 42  ? -7.89085  -19.93016 -36.50571 1.000 36.93917 ? 619 VAL A N   1 
ATOM   26   C CA  . VAL A 1 42  ? -6.94534  -19.79271 -35.40191 1.000 37.62743 ? 619 VAL A CA  1 
ATOM   27   C C   . VAL A 1 42  ? -7.71728  -19.57925 -34.10954 1.000 36.70770 ? 619 VAL A C   1 
ATOM   28   O O   . VAL A 1 42  ? -8.47780  -18.61456 -33.97480 1.000 35.25638 ? 619 VAL A O   1 
ATOM   29   C CB  . VAL A 1 42  ? -5.95485  -18.64928 -35.64019 1.000 36.83197 ? 619 VAL A CB  1 
ATOM   30   C CG1 . VAL A 1 42  ? -4.91044  -18.65183 -34.54499 1.000 37.13643 ? 619 VAL A CG1 1 
ATOM   31   C CG2 . VAL A 1 42  ? -5.32472  -18.78863 -37.01366 1.000 42.05447 ? 619 VAL A CG2 1 
ATOM   32   N N   . ILE A 1 43  ? -7.49203  -20.46289 -33.14957 1.000 35.48212 ? 620 ILE A N   1 
ATOM   33   C CA  . ILE A 1 43  ? -8.16212  -20.44116 -31.85893 1.000 34.66514 ? 620 ILE A CA  1 
ATOM   34   C C   . ILE A 1 43  ? -7.12733  -20.12119 -30.80012 1.000 35.44771 ? 620 ILE A C   1 
ATOM   35   O O   . ILE A 1 43  ? -6.02885  -20.68904 -30.80480 1.000 34.93096 ? 620 ILE A O   1 
ATOM   36   C CB  . ILE A 1 43  ? -8.82778  -21.79177 -31.54398 1.000 34.00113 ? 620 ILE A CB  1 
ATOM   37   C CG1 . ILE A 1 43  ? -9.70830  -22.25014 -32.71026 1.000 34.61219 ? 620 ILE A CG1 1 
ATOM   38   C CG2 . ILE A 1 43  ? -9.61545  -21.68374 -30.26013 1.000 35.73719 ? 620 ILE A CG2 1 
ATOM   39   C CD1 . ILE A 1 43  ? -10.97030 -21.49328 -32.82655 1.000 37.91432 ? 620 ILE A CD1 1 
ATOM   40   N N   . TYR A 1 44  ? -7.48132  -19.23673 -29.87798 1.000 34.65288 ? 621 TYR A N   1 
ATOM   41   C CA  . TYR A 1 44  ? -6.58788  -18.85904 -28.79249 1.000 34.05538 ? 621 TYR A CA  1 
ATOM   42   C C   . TYR A 1 44  ? -7.24896  -19.20879 -27.47112 1.000 35.30657 ? 621 TYR A C   1 
ATOM   43   O O   . TYR A 1 44  ? -8.41697  -18.87559 -27.24657 1.000 35.24883 ? 621 TYR A O   1 
ATOM   44   C CB  . TYR A 1 44  ? -6.25292  -17.37318 -28.86648 1.000 33.62192 ? 621 TYR A CB  1 
ATOM   45   C CG  . TYR A 1 44  ? -5.35441  -16.89227 -27.76265 1.000 35.72057 ? 621 TYR A CG  1 
ATOM   46   C CD1 . TYR A 1 44  ? -4.00705  -17.22060 -27.74428 1.000 35.45174 ? 621 TYR A CD1 1 
ATOM   47   C CD2 . TYR A 1 44  ? -5.84650  -16.09316 -26.74744 1.000 35.87133 ? 621 TYR A CD2 1 
ATOM   48   C CE1 . TYR A 1 44  ? -3.18244  -16.78387 -26.72896 1.000 34.66217 ? 621 TYR A CE1 1 
ATOM   49   C CE2 . TYR A 1 44  ? -5.03050  -15.64776 -25.73306 1.000 37.57597 ? 621 TYR A CE2 1 
ATOM   50   C CZ  . TYR A 1 44  ? -3.70356  -15.99362 -25.72981 1.000 36.39457 ? 621 TYR A CZ  1 
ATOM   51   O OH  . TYR A 1 44  ? -2.90129  -15.53758 -24.71805 1.000 37.07305 ? 621 TYR A OH  1 
ATOM   52   N N   . ALA A 1 45  ? -6.52247  -19.90540 -26.61233 1.000 33.47257 ? 622 ALA A N   1 
ATOM   53   C CA  . ALA A 1 45  ? -6.97375  -20.15326 -25.25183 1.000 35.96490 ? 622 ALA A CA  1 
ATOM   54   C C   . ALA A 1 45  ? -5.84529  -19.78029 -24.31056 1.000 37.62632 ? 622 ALA A C   1 
ATOM   55   O O   . ALA A 1 45  ? -4.69183  -20.13655 -24.55227 1.000 37.12145 ? 622 ALA A O   1 
ATOM   56   C CB  . ALA A 1 45  ? -7.36667  -21.61038 -25.04063 1.000 32.31422 ? 622 ALA A CB  1 
ATOM   57   N N   . ASP A 1 46  ? -6.15981  -19.04113 -23.25667 1.000 37.23240 ? 623 ASP A N   1 
ATOM   58   C CA  . ASP A 1 46  ? -5.13018  -18.68293 -22.29746 1.000 38.51134 ? 623 ASP A CA  1 
ATOM   59   C C   . ASP A 1 46  ? -5.50663  -19.19833 -20.91732 1.000 36.98904 ? 623 ASP A C   1 
ATOM   60   O O   . ASP A 1 46  ? -6.67763  -19.40841 -20.60268 1.000 37.01341 ? 623 ASP A O   1 
ATOM   61   C CB  . ASP A 1 46  ? -4.86962  -17.15996 -22.27012 1.000 37.50901 ? 623 ASP A CB  1 
ATOM   62   C CG  . ASP A 1 46  ? -6.07433  -16.35038 -21.85306 1.000 41.85403 ? 623 ASP A CG  1 
ATOM   63   O OD1 . ASP A 1 46  ? -7.07547  -16.92890 -21.37369 1.000 45.90653 ? 623 ASP A OD1 1 
ATOM   64   O OD2 . ASP A 1 46  ? -6.00347  -15.10944 -22.00317 1.000 43.89498 ? 623 ASP A OD2 1 
ATOM   65   N N   . GLY A 1 47  ? -4.49696  -19.41587 -20.09664 1.000 37.61284 ? 624 GLY A N   1 
ATOM   66   C CA  . GLY A 1 47  ? -4.76047  -19.85194 -18.74358 1.000 36.33476 ? 624 GLY A CA  1 
ATOM   67   C C   . GLY A 1 47  ? -3.46064  -19.97040 -17.99935 1.000 37.40788 ? 624 GLY A C   1 
ATOM   68   O O   . GLY A 1 47  ? -2.38025  -19.71413 -18.54100 1.000 33.06820 ? 624 GLY A O   1 
ATOM   69   N N   . VAL A 1 48  ? -3.58499  -20.32563 -16.72144 1.000 36.01956 ? 625 VAL A N   1 
ATOM   70   C CA  . VAL A 1 48  ? -2.39431  -20.54095 -15.92018 1.000 35.92746 ? 625 VAL A CA  1 
ATOM   71   C C   . VAL A 1 48  ? -1.78767  -21.89553 -16.24176 1.000 34.94622 ? 625 VAL A C   1 
ATOM   72   O O   . VAL A 1 48  ? -0.56764  -22.02613 -16.40002 1.000 31.80332 ? 625 VAL A O   1 
ATOM   73   C CB  . VAL A 1 48  ? -2.76004  -20.40057 -14.43908 1.000 37.04648 ? 625 VAL A CB  1 
ATOM   74   C CG1 . VAL A 1 48  ? -1.53038  -20.59252 -13.56233 1.000 37.46246 ? 625 VAL A CG1 1 
ATOM   75   C CG2 . VAL A 1 48  ? -3.39022  -19.04300 -14.20617 1.000 37.31429 ? 625 VAL A CG2 1 
ATOM   76   N N   . TYR A 1 49  ? -2.63203  -22.91317 -16.38284 1.000 33.53124 ? 626 TYR A N   1 
ATOM   77   C CA  . TYR A 1 49  ? -2.18346  -24.28180 -16.62037 1.000 36.93587 ? 626 TYR A CA  1 
ATOM   78   C C   . TYR A 1 49  ? -1.16656  -24.71439 -15.56663 1.000 36.69528 ? 626 TYR A C   1 
ATOM   79   O O   . TYR A 1 49  ? -0.09373  -25.24386 -15.87345 1.000 38.02591 ? 626 TYR A O   1 
ATOM   80   C CB  . TYR A 1 49  ? -1.62253  -24.42924 -18.03648 1.000 34.26496 ? 626 TYR A CB  1 
ATOM   81   C CG  . TYR A 1 49  ? -2.61586  -24.00337 -19.11464 1.000 35.80123 ? 626 TYR A CG  1 
ATOM   82   C CD1 . TYR A 1 49  ? -3.71602  -24.79868 -19.43297 1.000 33.24736 ? 626 TYR A CD1 1 
ATOM   83   C CD2 . TYR A 1 49  ? -2.45145  -22.80549 -19.81166 1.000 36.13341 ? 626 TYR A CD2 1 
ATOM   84   C CE1 . TYR A 1 49  ? -4.62929  -24.40888 -20.41894 1.000 34.00218 ? 626 TYR A CE1 1 
ATOM   85   C CE2 . TYR A 1 49  ? -3.34717  -22.41932 -20.80615 1.000 33.45940 ? 626 TYR A CE2 1 
ATOM   86   C CZ  . TYR A 1 49  ? -4.43022  -23.21977 -21.09712 1.000 34.86192 ? 626 TYR A CZ  1 
ATOM   87   O OH  . TYR A 1 49  ? -5.32138  -22.82994 -22.06368 1.000 37.93395 ? 626 TYR A OH  1 
ATOM   88   N N   . ASP A 1 50  ? -1.50836  -24.46385 -14.30537 1.000 36.35444 ? 627 ASP A N   1 
ATOM   89   C CA  . ASP A 1 50  ? -0.73569  -24.97986 -13.18728 1.000 36.59094 ? 627 ASP A CA  1 
ATOM   90   C C   . ASP A 1 50  ? -1.10622  -26.43692 -12.96068 1.000 36.91749 ? 627 ASP A C   1 
ATOM   91   O O   . ASP A 1 50  ? -2.28496  -26.79882 -12.98722 1.000 37.67135 ? 627 ASP A O   1 
ATOM   92   C CB  . ASP A 1 50  ? -1.01116  -24.16887 -11.90923 1.000 37.06866 ? 627 ASP A CB  1 
ATOM   93   C CG  . ASP A 1 50  ? 0.17824   -24.13809 -10.95683 1.000 40.31455 ? 627 ASP A CG  1 
ATOM   94   O OD1 . ASP A 1 50  ? 1.25253   -24.64212 -11.33769 1.000 42.35077 ? 627 ASP A OD1 1 
ATOM   95   O OD2 . ASP A 1 50  ? 0.05422   -23.61281 -9.82747  1.000 42.23549 ? 627 ASP A OD2 1 
ATOM   96   N N   . MET A 1 51  ? -0.09656  -27.27198 -12.73001 1.000 39.27212 ? 628 MET A N   1 
ATOM   97   C CA  . MET A 1 51  ? -0.29414  -28.68605 -12.40579 1.000 39.06299 ? 628 MET A CA  1 
ATOM   98   C C   . MET A 1 51  ? -1.32831  -29.32402 -13.33943 1.000 37.37543 ? 628 MET A C   1 
ATOM   99   O O   . MET A 1 51  ? -2.35693  -29.84686 -12.91598 1.000 36.41770 ? 628 MET A O   1 
ATOM   100  C CB  . MET A 1 51  ? -0.68635  -28.83982 -10.93246 1.000 40.94104 ? 628 MET A CB  1 
ATOM   101  C CG  . MET A 1 51  ? 0.37843   -28.31741 -9.96292  1.000 42.59744 ? 628 MET A CG  1 
ATOM   102  S SD  . MET A 1 51  ? -0.09821  -28.43700 -8.23221  1.000 48.09520 ? 628 MET A SD  1 
ATOM   103  C CE  . MET A 1 51  ? -1.65419  -27.53598 -8.28393  1.000 45.17896 ? 628 MET A CE  1 
ATOM   104  N N   . LEU A 1 52  ? -1.02323  -29.27642 -14.64089 1.000 37.89796 ? 629 LEU A N   1 
ATOM   105  C CA  . LEU A 1 52  ? -1.98318  -29.65572 -15.67108 1.000 36.99272 ? 629 LEU A CA  1 
ATOM   106  C C   . LEU A 1 52  ? -2.51013  -31.06329 -15.44791 1.000 37.95694 ? 629 LEU A C   1 
ATOM   107  O O   . LEU A 1 52  ? -1.76070  -31.96912 -15.07375 1.000 37.83684 ? 629 LEU A O   1 
ATOM   108  C CB  . LEU A 1 52  ? -1.32259  -29.57899 -17.04581 1.000 38.11560 ? 629 LEU A CB  1 
ATOM   109  C CG  . LEU A 1 52  ? -2.25819  -29.58841 -18.24644 1.000 36.40852 ? 629 LEU A CG  1 
ATOM   110  C CD1 . LEU A 1 52  ? -2.64825  -28.16696 -18.54737 1.000 37.51698 ? 629 LEU A CD1 1 
ATOM   111  C CD2 . LEU A 1 52  ? -1.58185  -30.22913 -19.45353 1.000 37.34449 ? 629 LEU A CD2 1 
ATOM   112  N N   . HIS A 1 53  ? -3.80744  -31.25283 -15.68720 1.000 37.91565 ? 630 HIS A N   1 
ATOM   113  C CA  . HIS A 1 53  ? -4.41449  -32.57426 -15.53157 1.000 39.39592 ? 630 HIS A CA  1 
ATOM   114  C C   . HIS A 1 53  ? -5.47908  -32.78516 -16.61440 1.000 38.66243 ? 630 HIS A C   1 
ATOM   115  O O   . HIS A 1 53  ? -5.64553  -31.96704 -17.52252 1.000 39.23112 ? 630 HIS A O   1 
ATOM   116  C CB  . HIS A 1 53  ? -4.96259  -32.73638 -14.10994 1.000 42.00888 ? 630 HIS A CB  1 
ATOM   117  C CG  . HIS A 1 53  ? -6.05200  -31.77123 -13.75761 1.000 43.59518 ? 630 HIS A CG  1 
ATOM   118  N ND1 . HIS A 1 53  ? -7.24978  -31.72176 -14.43552 1.000 44.08751 ? 630 HIS A ND1 1 
ATOM   119  C CD2 . HIS A 1 53  ? -6.14077  -30.84680 -12.77073 1.000 44.69777 ? 630 HIS A CD2 1 
ATOM   120  C CE1 . HIS A 1 53  ? -8.02403  -30.79735 -13.89509 1.000 45.26431 ? 630 HIS A CE1 1 
ATOM   121  N NE2 . HIS A 1 53  ? -7.37540  -30.25312 -12.88115 1.000 46.43362 ? 630 HIS A NE2 1 
ATOM   122  N N   . LEU A 1 54  ? -6.18657  -33.91808 -16.52269 1.000 39.53037 ? 631 LEU A N   1 
ATOM   123  C CA  . LEU A 1 54  ? -7.16469  -34.30770 -17.53974 1.000 40.20954 ? 631 LEU A CA  1 
ATOM   124  C C   . LEU A 1 54  ? -8.17857  -33.21048 -17.80384 1.000 41.00099 ? 631 LEU A C   1 
ATOM   125  O O   . LEU A 1 54  ? -8.60238  -33.00396 -18.94875 1.000 40.62129 ? 631 LEU A O   1 
ATOM   126  C CB  . LEU A 1 54  ? -7.89946  -35.57360 -17.10295 1.000 41.38441 ? 631 LEU A CB  1 
ATOM   127  C CG  . LEU A 1 54  ? -7.46326  -36.85476 -17.79297 1.000 42.68646 ? 631 LEU A CG  1 
ATOM   128  C CD1 . LEU A 1 54  ? -8.21255  -38.02331 -17.20537 1.000 43.76630 ? 631 LEU A CD1 1 
ATOM   129  C CD2 . LEU A 1 54  ? -7.70448  -36.75610 -19.29291 1.000 40.61040 ? 631 LEU A CD2 1 
ATOM   130  N N   . GLY A 1 55  ? -8.62378  -32.52889 -16.75273 1.000 39.83454 ? 632 GLY A N   1 
ATOM   131  C CA  . GLY A 1 55  ? -9.52858  -31.41247 -16.95751 1.000 40.67677 ? 632 GLY A CA  1 
ATOM   132  C C   . GLY A 1 55  ? -8.98227  -30.41635 -17.95709 1.000 40.49769 ? 632 GLY A C   1 
ATOM   133  O O   . GLY A 1 55  ? -9.67751  -30.00485 -18.88519 1.000 42.26281 ? 632 GLY A O   1 
ATOM   134  N N   . HIS A 1 56  ? -7.71279  -30.02820 -17.79845 1.000 40.51659 ? 633 HIS A N   1 
ATOM   135  C CA  . HIS A 1 56  ? -7.13175  -29.08601 -18.74688 1.000 37.83280 ? 633 HIS A CA  1 
ATOM   136  C C   . HIS A 1 56  ? -6.99358  -29.72059 -20.11488 1.000 37.49352 ? 633 HIS A C   1 
ATOM   137  O O   . HIS A 1 56  ? -7.21203  -29.06276 -21.13272 1.000 35.91251 ? 633 HIS A O   1 
ATOM   138  C CB  . HIS A 1 56  ? -5.75623  -28.60075 -18.28815 1.000 38.58477 ? 633 HIS A CB  1 
ATOM   139  C CG  . HIS A 1 56  ? -5.73087  -28.01938 -16.90877 1.000 40.45562 ? 633 HIS A CG  1 
ATOM   140  N ND1 . HIS A 1 56  ? -5.37071  -28.75362 -15.80226 1.000 40.88416 ? 633 HIS A ND1 1 
ATOM   141  C CD2 . HIS A 1 56  ? -5.98938  -26.76648 -16.46001 1.000 42.52424 ? 633 HIS A CD2 1 
ATOM   142  C CE1 . HIS A 1 56  ? -5.42925  -27.98759 -14.72641 1.000 43.06672 ? 633 HIS A CE1 1 
ATOM   143  N NE2 . HIS A 1 56  ? -5.80127  -26.77635 -15.09835 1.000 42.58767 ? 633 HIS A NE2 1 
ATOM   144  N N   . MET A 1 57  ? -6.60507  -30.99125 -20.16280 1.000 37.19386 ? 634 MET A N   1 
ATOM   145  C CA  . MET A 1 57  ? -6.37597  -31.62885 -21.45386 1.000 36.97661 ? 634 MET A CA  1 
ATOM   146  C C   . MET A 1 57  ? -7.66624  -31.71560 -22.25146 1.000 36.02900 ? 634 MET A C   1 
ATOM   147  O O   . MET A 1 57  ? -7.68324  -31.40729 -23.44433 1.000 34.22901 ? 634 MET A O   1 
ATOM   148  C CB  . MET A 1 57  ? -5.76116  -33.01168 -21.24884 1.000 35.74593 ? 634 MET A CB  1 
ATOM   149  C CG  . MET A 1 57  ? -4.38932  -32.95873 -20.59258 1.000 35.57012 ? 634 MET A CG  1 
ATOM   150  S SD  . MET A 1 57  ? -3.82241  -34.58527 -20.06581 1.000 40.07318 ? 634 MET A SD  1 
ATOM   151  C CE  . MET A 1 57  ? -2.35911  -34.09386 -19.14317 1.000 38.48125 ? 634 MET A CE  1 
ATOM   152  N N   . LYS A 1 58  ? -8.76692  -32.09193 -21.60215 1.000 36.98384 ? 635 LYS A N   1 
ATOM   153  C CA  . LYS A 1 58  ? -10.05275 -32.16352 -22.29465 1.000 39.65504 ? 635 LYS A CA  1 
ATOM   154  C C   . LYS A 1 58  ? -10.51092 -30.78483 -22.76615 1.000 39.87460 ? 635 LYS A C   1 
ATOM   155  O O   . LYS A 1 58  ? -11.09737 -30.64844 -23.85082 1.000 37.86871 ? 635 LYS A O   1 
ATOM   156  C CB  . LYS A 1 58  ? -11.10178 -32.78711 -21.37723 1.000 37.31412 ? 635 LYS A CB  1 
ATOM   157  C CG  . LYS A 1 58  ? -10.90918 -34.25523 -21.09901 1.000 39.31893 ? 635 LYS A CG  1 
ATOM   158  C CD  . LYS A 1 58  ? -11.66634 -34.64595 -19.85033 1.000 43.09153 ? 635 LYS A CD  1 
ATOM   159  C CE  . LYS A 1 58  ? -12.24315 -36.04016 -19.96811 1.000 47.66074 ? 635 LYS A CE  1 
ATOM   160  N NZ  . LYS A 1 58  ? -12.77762 -36.53476 -18.66429 1.000 48.32981 ? 635 LYS A NZ  1 
ATOM   161  N N   . GLN A 1 59  ? -10.25599 -29.75125 -21.96729 1.000 36.79917 ? 636 GLN A N   1 
ATOM   162  C CA  . GLN A 1 59  ? -10.62103 -28.40400 -22.38555 1.000 40.62487 ? 636 GLN A CA  1 
ATOM   163  C C   . GLN A 1 59  ? -9.82610  -27.96818 -23.60967 1.000 36.59520 ? 636 GLN A C   1 
ATOM   164  O O   . GLN A 1 59  ? -10.37464 -27.34504 -24.51960 1.000 34.41050 ? 636 GLN A O   1 
ATOM   165  C CB  . GLN A 1 59  ? -10.41114 -27.42854 -21.23207 1.000 43.90942 ? 636 GLN A CB  1 
ATOM   166  C CG  . GLN A 1 59  ? -11.22318 -26.15071 -21.35793 1.000 53.02110 ? 636 GLN A CG  1 
ATOM   167  C CD  . GLN A 1 59  ? -11.76810 -25.66459 -20.01585 1.000 61.19222 ? 636 GLN A CD  1 
ATOM   168  O OE1 . GLN A 1 59  ? -11.27904 -26.06186 -18.95358 1.000 59.64181 ? 636 GLN A OE1 1 
ATOM   169  N NE2 . GLN A 1 59  ? -12.79294 -24.80426 -20.06276 1.000 62.86098 ? 636 GLN A NE2 1 
ATOM   170  N N   . LEU A 1 60  ? -8.53149  -28.26735 -23.64128 1.000 33.33368 ? 637 LEU A N   1 
ATOM   171  C CA  . LEU A 1 60  ? -7.73456  -27.95926 -24.81634 1.000 34.92510 ? 637 LEU A CA  1 
ATOM   172  C C   . LEU A 1 60  ? -8.20264  -28.76413 -26.02360 1.000 35.03728 ? 637 LEU A C   1 
ATOM   173  O O   . LEU A 1 60  ? -8.23836  -28.24859 -27.14819 1.000 35.19455 ? 637 LEU A O   1 
ATOM   174  C CB  . LEU A 1 60  ? -6.26586  -28.23689 -24.52486 1.000 35.11020 ? 637 LEU A CB  1 
ATOM   175  C CG  . LEU A 1 60  ? -5.65061  -27.35333 -23.44741 1.000 34.16036 ? 637 LEU A CG  1 
ATOM   176  C CD1 . LEU A 1 60  ? -4.34324  -27.98165 -22.94916 1.000 33.92143 ? 637 LEU A CD1 1 
ATOM   177  C CD2 . LEU A 1 60  ? -5.39265  -25.97177 -23.99368 1.000 29.79206 ? 637 LEU A CD2 1 
ATOM   178  N N   . GLU A 1 61  ? -8.56579  -30.03176 -25.81318 1.000 35.75996 ? 638 GLU A N   1 
ATOM   179  C CA  . GLU A 1 61  ? -9.12942  -30.82017 -26.89722 1.000 35.19020 ? 638 GLU A CA  1 
ATOM   180  C C   . GLU A 1 61  ? -10.35490 -30.13146 -27.47374 1.000 35.09533 ? 638 GLU A C   1 
ATOM   181  O O   . GLU A 1 61  ? -10.48941 -29.98882 -28.69501 1.000 33.77938 ? 638 GLU A O   1 
ATOM   182  C CB  . GLU A 1 61  ? -9.49738  -32.21625 -26.40079 1.000 34.65266 ? 638 GLU A CB  1 
ATOM   183  C CG  . GLU A 1 61  ? -9.99970  -33.09143 -27.52511 1.000 36.72142 ? 638 GLU A CG  1 
ATOM   184  C CD  . GLU A 1 61  ? -10.37093 -34.47534 -27.06939 1.000 37.98801 ? 638 GLU A CD  1 
ATOM   185  O OE1 . GLU A 1 61  ? -10.47220 -34.68416 -25.83841 1.000 40.24463 ? 638 GLU A OE1 1 
ATOM   186  O OE2 . GLU A 1 61  ? -10.57676 -35.34847 -27.94475 1.000 37.90698 ? 638 GLU A OE2 1 
ATOM   187  N N   . GLN A 1 62  ? -11.26036 -29.68772 -26.60153 1.000 32.90221 ? 639 GLN A N   1 
ATOM   188  C CA  . GLN A 1 62  ? -12.47872 -29.03544 -27.06998 1.000 36.27192 ? 639 GLN A CA  1 
ATOM   189  C C   . GLN A 1 62  ? -12.16362 -27.76734 -27.85118 1.000 36.44398 ? 639 GLN A C   1 
ATOM   190  O O   . GLN A 1 62  ? -12.77836 -27.49762 -28.88528 1.000 33.95588 ? 639 GLN A O   1 
ATOM   191  C CB  . GLN A 1 62  ? -13.38730 -28.71166 -25.89534 1.000 39.90580 ? 639 GLN A CB  1 
ATOM   192  C CG  . GLN A 1 62  ? -14.09089 -29.91362 -25.31199 1.000 44.21510 ? 639 GLN A CG  1 
ATOM   193  C CD  . GLN A 1 62  ? -14.85814 -29.55329 -24.05330 1.000 53.29786 ? 639 GLN A CD  1 
ATOM   194  O OE1 . GLN A 1 62  ? -15.54569 -28.52947 -24.01081 1.000 53.63581 ? 639 GLN A OE1 1 
ATOM   195  N NE2 . GLN A 1 62  ? -14.72503 -30.38030 -23.00920 1.000 51.84912 ? 639 GLN A NE2 1 
ATOM   196  N N   . ALA A 1 63  ? -11.23145 -26.95451 -27.36373 1.000 35.47799 ? 640 ALA A N   1 
ATOM   197  C CA  . ALA A 1 63  ? -10.85860 -25.77875 -28.14120 1.000 35.40055 ? 640 ALA A CA  1 
ATOM   198  C C   . ALA A 1 63  ? -10.33481 -26.19306 -29.51292 1.000 34.84135 ? 640 ALA A C   1 
ATOM   199  O O   . ALA A 1 63  ? -10.73554 -25.63999 -30.54341 1.000 36.87232 ? 640 ALA A O   1 
ATOM   200  C CB  . ALA A 1 63  ? -9.82017  -24.95395 -27.38178 1.000 35.83351 ? 640 ALA A CB  1 
ATOM   201  N N   . LYS A 1 64  ? -9.46030  -27.19287 -29.54841 1.000 34.72737 ? 641 LYS A N   1 
ATOM   202  C CA  . LYS A 1 64  ? -8.87311  -27.61038 -30.81666 1.000 33.99655 ? 641 LYS A CA  1 
ATOM   203  C C   . LYS A 1 64  ? -9.94606  -28.07470 -31.79733 1.000 38.28186 ? 641 LYS A C   1 
ATOM   204  O O   . LYS A 1 64  ? -9.84950  -27.81390 -33.00776 1.000 38.77356 ? 641 LYS A O   1 
ATOM   205  C CB  . LYS A 1 64  ? -7.82941  -28.70441 -30.55829 1.000 33.17820 ? 641 LYS A CB  1 
ATOM   206  C CG  . LYS A 1 64  ? -7.22284  -29.37357 -31.80062 1.000 36.94653 ? 641 LYS A CG  1 
ATOM   207  C CD  . LYS A 1 64  ? -6.23589  -28.50152 -32.53555 1.000 34.83538 ? 641 LYS A CD  1 
ATOM   208  C CE  . LYS A 1 64  ? -5.76190  -29.20505 -33.80718 1.000 40.67092 ? 641 LYS A CE  1 
ATOM   209  N NZ  . LYS A 1 64  ? -5.23492  -28.25404 -34.82351 1.000 39.76293 ? 641 LYS A NZ  1 
ATOM   210  N N   . LYS A 1 65  ? -10.99395 -28.73781 -31.30163 1.000 35.39057 ? 642 LYS A N   1 
ATOM   211  C CA  . LYS A 1 65  ? -12.00696 -29.32047 -32.17542 1.000 37.00835 ? 642 LYS A CA  1 
ATOM   212  C C   . LYS A 1 65  ? -13.21090 -28.40268 -32.38495 1.000 37.12310 ? 642 LYS A C   1 
ATOM   213  O O   . LYS A 1 65  ? -14.28696 -28.87510 -32.74411 1.000 40.64970 ? 642 LYS A O   1 
ATOM   214  C CB  . LYS A 1 65  ? -12.44846 -30.68333 -31.62951 1.000 35.80357 ? 642 LYS A CB  1 
ATOM   215  C CG  . LYS A 1 65  ? -11.27888 -31.65872 -31.52710 1.000 33.63246 ? 642 LYS A CG  1 
ATOM   216  C CD  . LYS A 1 65  ? -11.66599 -33.07282 -31.15891 1.000 34.01031 ? 642 LYS A CD  1 
ATOM   217  C CE  . LYS A 1 65  ? -10.39650 -33.93243 -31.13217 1.000 36.23180 ? 642 LYS A CE  1 
ATOM   218  N NZ  . LYS A 1 65  ? -10.64403 -35.36296 -30.83564 1.000 35.10092 ? 642 LYS A NZ  1 
ATOM   219  N N   . LEU A 1 66  ? -13.05998 -27.09920 -32.18610 1.000 36.15833 ? 643 LEU A N   1 
ATOM   220  C CA  . LEU A 1 66  ? -14.20167 -26.22527 -32.42618 1.000 37.91134 ? 643 LEU A CA  1 
ATOM   221  C C   . LEU A 1 66  ? -14.54321 -26.15012 -33.90413 1.000 37.68267 ? 643 LEU A C   1 
ATOM   222  O O   . LEU A 1 66  ? -15.69198 -25.87793 -34.25246 1.000 39.44157 ? 643 LEU A O   1 
ATOM   223  C CB  . LEU A 1 66  ? -13.91719 -24.83560 -31.87020 1.000 37.00157 ? 643 LEU A CB  1 
ATOM   224  C CG  . LEU A 1 66  ? -13.79377 -24.83019 -30.35105 1.000 36.99483 ? 643 LEU A CG  1 
ATOM   225  C CD1 . LEU A 1 66  ? -13.14117 -23.53671 -29.89305 1.000 37.00617 ? 643 LEU A CD1 1 
ATOM   226  C CD2 . LEU A 1 66  ? -15.16971 -24.99147 -29.73955 1.000 37.67666 ? 643 LEU A CD2 1 
ATOM   227  N N   . PHE A 1 67  ? -13.56961 -26.36681 -34.78463 1.000 37.27327 ? 644 PHE A N   1 
ATOM   228  C CA  . PHE A 1 67  ? -13.81993 -26.43054 -36.22093 1.000 40.91792 ? 644 PHE A CA  1 
ATOM   229  C C   . PHE A 1 67  ? -12.97188 -27.55429 -36.80571 1.000 42.19104 ? 644 PHE A C   1 
ATOM   230  O O   . PHE A 1 67  ? -12.08248 -28.08693 -36.13952 1.000 42.03856 ? 644 PHE A O   1 
ATOM   231  C CB  . PHE A 1 67  ? -13.51687 -25.08951 -36.90579 1.000 40.14527 ? 644 PHE A CB  1 
ATOM   232  C CG  . PHE A 1 67  ? -14.33786 -23.93506 -36.38207 1.000 40.82697 ? 644 PHE A CG  1 
ATOM   233  C CD1 . PHE A 1 67  ? -13.89125 -23.18211 -35.30323 1.000 39.06922 ? 644 PHE A CD1 1 
ATOM   234  C CD2 . PHE A 1 67  ? -15.55271 -23.60040 -36.97207 1.000 41.65691 ? 644 PHE A CD2 1 
ATOM   235  C CE1 . PHE A 1 67  ? -14.63894 -22.12134 -34.81969 1.000 37.71166 ? 644 PHE A CE1 1 
ATOM   236  C CE2 . PHE A 1 67  ? -16.30938 -22.53150 -36.49148 1.000 41.56291 ? 644 PHE A CE2 1 
ATOM   237  C CZ  . PHE A 1 67  ? -15.84678 -21.79673 -35.40934 1.000 39.99966 ? 644 PHE A CZ  1 
ATOM   238  N N   . GLU A 1 68  ? -13.24562 -27.91754 -38.06346 1.000 39.31296 ? 645 GLU A N   1 
ATOM   239  C CA  . GLU A 1 68  ? -12.55658 -29.05622 -38.66512 1.000 41.86017 ? 645 GLU A CA  1 
ATOM   240  C C   . GLU A 1 68  ? -11.06777 -28.78254 -38.83039 1.000 43.71310 ? 645 GLU A C   1 
ATOM   241  O O   . GLU A 1 68  ? -10.24385 -29.67241 -38.60229 1.000 47.49462 ? 645 GLU A O   1 
ATOM   242  C CB  . GLU A 1 68  ? -13.19251 -29.41268 -40.01076 1.000 41.83369 ? 645 GLU A CB  1 
ATOM   243  N N   . ASN A 1 69  ? -10.69655 -27.56465 -39.21964 1.000 44.01106 ? 646 ASN A N   1 
ATOM   244  C CA  . ASN A 1 69  ? -9.29747  -27.18954 -39.43099 1.000 46.68436 ? 646 ASN A CA  1 
ATOM   245  C C   . ASN A 1 69  ? -8.95481  -26.02390 -38.51824 1.000 43.10760 ? 646 ASN A C   1 
ATOM   246  O O   . ASN A 1 69  ? -9.41977  -24.90537 -38.74165 1.000 45.09271 ? 646 ASN A O   1 
ATOM   247  C CB  . ASN A 1 69  ? -9.04306  -26.80308 -40.88718 1.000 48.67646 ? 646 ASN A CB  1 
ATOM   248  C CG  . ASN A 1 69  ? -8.83634  -27.99647 -41.76642 1.000 52.73716 ? 646 ASN A CG  1 
ATOM   249  O OD1 . ASN A 1 69  ? -8.72207  -29.12946 -41.28631 1.000 54.03159 ? 646 ASN A OD1 1 
ATOM   250  N ND2 . ASN A 1 69  ? -8.76131  -27.75824 -43.06315 1.000 55.66429 ? 646 ASN A ND2 1 
ATOM   251  N N   . THR A 1 70  ? -8.12688  -26.26722 -37.51222 1.000 43.45284 ? 647 THR A N   1 
ATOM   252  C CA  . THR A 1 70  ? -7.76540  -25.22521 -36.56952 1.000 42.25945 ? 647 THR A CA  1 
ATOM   253  C C   . THR A 1 70  ? -6.25769  -25.18187 -36.38762 1.000 43.25825 ? 647 THR A C   1 
ATOM   254  O O   . THR A 1 70  ? -5.53196  -26.14960 -36.65667 1.000 43.15623 ? 647 THR A O   1 
ATOM   255  C CB  . THR A 1 70  ? -8.41035  -25.42406 -35.17951 1.000 38.49648 ? 647 THR A CB  1 
ATOM   256  O OG1 . THR A 1 70  ? -7.99286  -26.67635 -34.63884 1.000 36.96862 ? 647 THR A OG1 1 
ATOM   257  C CG2 . THR A 1 70  ? -9.92931  -25.41299 -35.25552 1.000 39.00280 ? 647 THR A CG2 1 
ATOM   258  N N   . THR A 1 71  ? -5.80385  -24.02874 -35.91512 1.000 39.36578 ? 648 THR A N   1 
ATOM   259  C CA  . THR A 1 71  ? -4.54490  -23.90639 -35.19656 1.000 37.06629 ? 648 THR A CA  1 
ATOM   260  C C   . THR A 1 71  ? -4.91029  -23.45438 -33.79163 1.000 36.95863 ? 648 THR A C   1 
ATOM   261  O O   . THR A 1 71  ? -5.54838  -22.41252 -33.63035 1.000 36.26399 ? 648 THR A O   1 
ATOM   262  C CB  . THR A 1 71  ? -3.61408  -22.91025 -35.89018 1.000 37.50677 ? 648 THR A CB  1 
ATOM   263  O OG1 . THR A 1 71  ? -3.26263  -23.43153 -37.16588 1.000 40.41809 ? 648 THR A OG1 1 
ATOM   264  C CG2 . THR A 1 71  ? -2.35051  -22.69021 -35.09443 1.000 37.48226 ? 648 THR A CG2 1 
ATOM   265  N N   . LEU A 1 72  ? -4.57122  -24.25449 -32.77839 1.000 35.71089 ? 649 LEU A N   1 
ATOM   266  C CA  . LEU A 1 72  ? -4.83890  -23.87456 -31.39631 1.000 31.75470 ? 649 LEU A CA  1 
ATOM   267  C C   . LEU A 1 72  ? -3.58990  -23.19965 -30.85843 1.000 32.22122 ? 649 LEU A C   1 
ATOM   268  O O   . LEU A 1 72  ? -2.54157  -23.83565 -30.74172 1.000 32.87981 ? 649 LEU A O   1 
ATOM   269  C CB  . LEU A 1 72  ? -5.22168  -25.07989 -30.54390 1.000 30.37506 ? 649 LEU A CB  1 
ATOM   270  C CG  . LEU A 1 72  ? -5.40666  -24.80115 -29.03462 1.000 33.23229 ? 649 LEU A CG  1 
ATOM   271  C CD1 . LEU A 1 72  ? -6.50200  -23.77143 -28.80584 1.000 28.66645 ? 649 LEU A CD1 1 
ATOM   272  C CD2 . LEU A 1 72  ? -5.72121  -26.08156 -28.23745 1.000 30.87365 ? 649 LEU A CD2 1 
ATOM   273  N N   . ILE A 1 73  ? -3.69068  -21.90835 -30.54991 1.000 32.63008 ? 650 ILE A N   1 
ATOM   274  C CA  . ILE A 1 73  ? -2.62873  -21.17446 -29.86912 1.000 32.85691 ? 650 ILE A CA  1 
ATOM   275  C C   . ILE A 1 73  ? -2.98040  -21.13057 -28.39462 1.000 33.39046 ? 650 ILE A C   1 
ATOM   276  O O   . ILE A 1 73  ? -4.11653  -20.82179 -28.02739 1.000 34.17227 ? 650 ILE A O   1 
ATOM   277  C CB  . ILE A 1 73  ? -2.45784  -19.75496 -30.44082 1.000 33.86102 ? 650 ILE A CB  1 
ATOM   278  C CG1 . ILE A 1 73  ? -2.04669  -19.82616 -31.91718 1.000 33.66804 ? 650 ILE A CG1 1 
ATOM   279  C CG2 . ILE A 1 73  ? -1.43501  -18.98242 -29.61812 1.000 29.50777 ? 650 ILE A CG2 1 
ATOM   280  C CD1 . ILE A 1 73  ? -1.95414  -18.47087 -32.61042 1.000 35.19935 ? 650 ILE A CD1 1 
ATOM   281  N N   . VAL A 1 74  ? -2.02575  -21.45989 -27.54166 1.000 34.45255 ? 651 VAL A N   1 
ATOM   282  C CA  . VAL A 1 74  ? -2.26717  -21.47896 -26.10980 1.000 34.66748 ? 651 VAL A CA  1 
ATOM   283  C C   . VAL A 1 74  ? -1.36910  -20.44479 -25.46529 1.000 34.82897 ? 651 VAL A C   1 
ATOM   284  O O   . VAL A 1 74  ? -0.16689  -20.40461 -25.73886 1.000 34.87904 ? 651 VAL A O   1 
ATOM   285  C CB  . VAL A 1 74  ? -2.02335  -22.86872 -25.50621 1.000 34.25795 ? 651 VAL A CB  1 
ATOM   286  C CG1 . VAL A 1 74  ? -2.13973  -22.78438 -23.99349 1.000 32.29803 ? 651 VAL A CG1 1 
ATOM   287  C CG2 . VAL A 1 74  ? -3.04332  -23.82495 -26.04678 1.000 36.27027 ? 651 VAL A CG2 1 
ATOM   288  N N   . GLY A 1 75  ? -1.94840  -19.60773 -24.61932 1.000 34.03391 ? 652 GLY A N   1 
ATOM   289  C CA  . GLY A 1 75  ? -1.19672  -18.60316 -23.88120 1.000 34.78442 ? 652 GLY A CA  1 
ATOM   290  C C   . GLY A 1 75  ? -1.08691  -19.03423 -22.42862 1.000 36.46041 ? 652 GLY A C   1 
ATOM   291  O O   . GLY A 1 75  ? -2.06945  -19.49771 -21.84161 1.000 34.28023 ? 652 GLY A O   1 
ATOM   292  N N   . VAL A 1 76  ? 0.11690   -18.88032 -21.87389 1.000 35.63083 ? 653 VAL A N   1 
ATOM   293  C CA  . VAL A 1 76  ? 0.47830   -19.30381 -20.52223 1.000 33.62126 ? 653 VAL A CA  1 
ATOM   294  C C   . VAL A 1 76  ? 0.85302   -18.05365 -19.73546 1.000 36.17093 ? 653 VAL A C   1 
ATOM   295  O O   . VAL A 1 76  ? 1.83218   -17.37408 -20.07024 1.000 35.50594 ? 653 VAL A O   1 
ATOM   296  C CB  . VAL A 1 76  ? 1.64548   -20.30563 -20.54677 1.000 34.05401 ? 653 VAL A CB  1 
ATOM   297  C CG1 . VAL A 1 76  ? 1.97464   -20.75488 -19.17112 1.000 33.15113 ? 653 VAL A CG1 1 
ATOM   298  C CG2 . VAL A 1 76  ? 1.30942   -21.51031 -21.43761 1.000 33.72993 ? 653 VAL A CG2 1 
ATOM   299  N N   . THR A 1 77  ? 0.08799   -17.74957 -18.69265 1.000 32.77761 ? 654 THR A N   1 
ATOM   300  C CA  . THR A 1 77  ? 0.27655   -16.49911 -17.97486 1.000 36.74888 ? 654 THR A CA  1 
ATOM   301  C C   . THR A 1 77  ? 1.61810   -16.46756 -17.23863 1.000 37.34725 ? 654 THR A C   1 
ATOM   302  O O   . THR A 1 77  ? 2.19047   -17.50402 -16.89232 1.000 39.09750 ? 654 THR A O   1 
ATOM   303  C CB  . THR A 1 77  ? -0.88122  -16.29506 -17.00533 1.000 39.23952 ? 654 THR A CB  1 
ATOM   304  O OG1 . THR A 1 77  ? -0.95494  -17.40530 -16.10112 1.000 36.11385 ? 654 THR A OG1 1 
ATOM   305  C CG2 . THR A 1 77  ? -2.19132  -16.21995 -17.78854 1.000 38.74557 ? 654 THR A CG2 1 
ATOM   306  N N   . SER A 1 78  ? 2.12686   -15.26061 -16.99952 1.000 38.10077 ? 655 SER A N   1 
ATOM   307  C CA  . SER A 1 78  ? 3.41077   -15.11857 -16.32347 1.000 40.50565 ? 655 SER A CA  1 
ATOM   308  C C   . SER A 1 78  ? 3.28735   -15.43258 -14.83142 1.000 41.83819 ? 655 SER A C   1 
ATOM   309  O O   . SER A 1 78  ? 2.20715   -15.36849 -14.24227 1.000 39.63390 ? 655 SER A O   1 
ATOM   310  C CB  . SER A 1 78  ? 3.96684   -13.70754 -16.50477 1.000 42.83831 ? 655 SER A CB  1 
ATOM   311  O OG  . SER A 1 78  ? 3.19871   -12.76197 -15.78839 1.000 46.84508 ? 655 SER A OG  1 
ATOM   312  N N   . ASP A 1 79  ? 4.42575   -15.77058 -14.21335 1.000 42.84149 ? 656 ASP A N   1 
ATOM   313  C CA  . ASP A 1 79  ? 4.42376   -16.06638 -12.78049 1.000 46.19658 ? 656 ASP A CA  1 
ATOM   314  C C   . ASP A 1 79  ? 4.00804   -14.84688 -11.97398 1.000 45.71716 ? 656 ASP A C   1 
ATOM   315  O O   . ASP A 1 79  ? 3.14252   -14.93316 -11.10033 1.000 46.34704 ? 656 ASP A O   1 
ATOM   316  C CB  . ASP A 1 79  ? 5.79963   -16.55355 -12.31722 1.000 46.83658 ? 656 ASP A CB  1 
ATOM   317  C CG  . ASP A 1 79  ? 6.12984   -17.94638 -12.82919 1.000 48.51578 ? 656 ASP A CG  1 
ATOM   318  O OD1 . ASP A 1 79  ? 5.18601   -18.70886 -13.16939 1.000 45.90515 ? 656 ASP A OD1 1 
ATOM   319  O OD2 . ASP A 1 79  ? 7.33820   -18.27869 -12.89215 1.000 51.57307 ? 656 ASP A OD2 1 
ATOM   320  N N   . ASN A 1 80  ? 4.61094   -13.69595 -12.26044 1.000 44.67829 ? 657 ASN A N   1 
ATOM   321  C CA  . ASN A 1 80  ? 4.34566   -12.52343 -11.43837 1.000 51.28845 ? 657 ASN A CA  1 
ATOM   322  C C   . ASN A 1 80  ? 2.89876   -12.06420 -11.56196 1.000 49.80800 ? 657 ASN A C   1 
ATOM   323  O O   . ASN A 1 80  ? 2.31838   -11.58300 -10.58117 1.000 53.23583 ? 657 ASN A O   1 
ATOM   324  C CB  . ASN A 1 80  ? 5.31997   -11.39423 -11.79045 1.000 51.88057 ? 657 ASN A CB  1 
ATOM   325  C CG  . ASN A 1 80  ? 6.73260   -11.65452 -11.25804 1.000 56.04256 ? 657 ASN A CG  1 
ATOM   326  O OD1 . ASN A 1 80  ? 7.06918   -12.77436 -10.85851 1.000 58.27985 ? 657 ASN A OD1 1 
ATOM   327  N ND2 . ASN A 1 80  ? 7.56148   -10.61854 -11.24595 1.000 63.24466 ? 657 ASN A ND2 1 
ATOM   328  N N   . GLU A 1 81  ? 2.29002   -12.22997 -12.73044 1.000 47.82812 ? 658 GLU A N   1 
ATOM   329  C CA  . GLU A 1 81  ? 0.89856   -11.81851 -12.86978 1.000 48.62622 ? 658 GLU A CA  1 
ATOM   330  C C   . GLU A 1 81  ? -0.05142  -12.82702 -12.23965 1.000 49.59856 ? 658 GLU A C   1 
ATOM   331  O O   . GLU A 1 81  ? -1.02853  -12.43808 -11.59231 1.000 51.88950 ? 658 GLU A O   1 
ATOM   332  C CB  . GLU A 1 81  ? 0.56127   -11.60346 -14.34278 1.000 47.29789 ? 658 GLU A CB  1 
ATOM   333  C CG  . GLU A 1 81  ? 1.08159   -10.27637 -14.86086 1.000 45.97543 ? 658 GLU A CG  1 
ATOM   334  C CD  . GLU A 1 81  ? 1.04469   -10.19365 -16.36467 1.000 46.61971 ? 658 GLU A CD  1 
ATOM   335  O OE1 . GLU A 1 81  ? 1.40340   -11.19713 -17.03283 1.000 46.67154 ? 658 GLU A OE1 1 
ATOM   336  O OE2 . GLU A 1 81  ? 0.65672   -9.12481  -16.87547 1.000 49.01924 ? 658 GLU A OE2 1 
ATOM   337  N N   . THR A 1 82  ? 0.22124   -14.11874 -12.40245 1.000 44.96091 ? 659 THR A N   1 
ATOM   338  C CA  . THR A 1 82  ? -0.59920  -15.12322 -11.73845 1.000 47.02043 ? 659 THR A CA  1 
ATOM   339  C C   . THR A 1 82  ? -0.55210  -14.94947 -10.22377 1.000 50.56445 ? 659 THR A C   1 
ATOM   340  O O   . THR A 1 82  ? -1.58972  -14.98278 -9.55175  1.000 51.21822 ? 659 THR A O   1 
ATOM   341  C CB  . THR A 1 82  ? -0.14174  -16.52327 -12.16130 1.000 44.96565 ? 659 THR A CB  1 
ATOM   342  O OG1 . THR A 1 82  ? -0.06104  -16.57613 -13.59078 1.000 41.16106 ? 659 THR A OG1 1 
ATOM   343  C CG2 . THR A 1 82  ? -1.13699  -17.58021 -11.70452 1.000 42.90107 ? 659 THR A CG2 1 
ATOM   344  N N   . LYS A 1 83  ? 0.64630   -14.73658 -9.66805  1.000 50.68713 ? 660 LYS A N   1 
ATOM   345  C CA  . LYS A 1 83  ? 0.76683   -14.46012 -8.24360  1.000 51.51483 ? 660 LYS A CA  1 
ATOM   346  C C   . LYS A 1 83  ? -0.10780  -13.28253 -7.84467  1.000 54.49645 ? 660 LYS A C   1 
ATOM   347  O O   . LYS A 1 83  ? -0.83936  -13.33750 -6.84946  1.000 54.50468 ? 660 LYS A O   1 
ATOM   348  C CB  . LYS A 1 83  ? 2.21866   -14.14753 -7.86784  1.000 53.47540 ? 660 LYS A CB  1 
ATOM   349  C CG  . LYS A 1 83  ? 3.22281   -15.29681 -7.92872  1.000 54.81726 ? 660 LYS A CG  1 
ATOM   350  C CD  . LYS A 1 83  ? 4.56970   -14.82338 -7.33817  1.000 60.20187 ? 660 LYS A CD  1 
ATOM   351  C CE  . LYS A 1 83  ? 5.60476   -15.93816 -7.25528  1.000 59.22296 ? 660 LYS A CE  1 
ATOM   352  N NZ  . LYS A 1 83  ? 6.07023   -16.39675 -8.57784  1.000 58.67491 ? 660 LYS A NZ  1 
ATOM   353  N N   . LEU A 1 84  ? -0.01063  -12.18056 -8.58433  1.000 53.10891 ? 661 LEU A N   1 
ATOM   354  C CA  . LEU A 1 84  ? -0.66345  -10.96196 -8.12402  1.000 56.20614 ? 661 LEU A CA  1 
ATOM   355  C C   . LEU A 1 84  ? -2.17389  -11.05167 -8.28089  1.000 54.45428 ? 661 LEU A C   1 
ATOM   356  O O   . LEU A 1 84  ? -2.91199  -10.62927 -7.38645  1.000 58.69637 ? 661 LEU A O   1 
ATOM   357  C CB  . LEU A 1 84  ? -0.10836  -9.75141  -8.87257  1.000 57.56515 ? 661 LEU A CB  1 
ATOM   358  C CG  . LEU A 1 84  ? -0.87450  -8.43627  -8.72895  1.000 58.68116 ? 661 LEU A CG  1 
ATOM   359  C CD1 . LEU A 1 84  ? -0.82543  -7.89660  -7.30588  1.000 63.34408 ? 661 LEU A CD1 1 
ATOM   360  C CD2 . LEU A 1 84  ? -0.32831  -7.41304  -9.71278  1.000 61.20552 ? 661 LEU A CD2 1 
ATOM   361  N N   . PHE A 1 85  ? -2.64897  -11.61959 -9.39348  1.000 54.48083 ? 662 PHE A N   1 
ATOM   362  C CA  . PHE A 1 85  ? -4.06727  -11.60716 -9.74433  1.000 54.47498 ? 662 PHE A CA  1 
ATOM   363  C C   . PHE A 1 85  ? -4.82652  -12.85669 -9.31764  1.000 55.00287 ? 662 PHE A C   1 
ATOM   364  O O   . PHE A 1 85  ? -6.02724  -12.76214 -9.04047  1.000 58.22431 ? 662 PHE A O   1 
ATOM   365  C CB  . PHE A 1 85  ? -4.24226  -11.40802 -11.25736 1.000 52.10112 ? 662 PHE A CB  1 
ATOM   366  C CG  . PHE A 1 85  ? -3.81817  -10.04388 -11.73856 1.000 52.09391 ? 662 PHE A CG  1 
ATOM   367  C CD1 . PHE A 1 85  ? -4.22522  -8.91308  -11.07703 1.000 54.45004 ? 662 PHE A CD1 1 
ATOM   368  C CD2 . PHE A 1 85  ? -2.98635  -9.90506  -12.83907 1.000 51.45117 ? 662 PHE A CD2 1 
ATOM   369  C CE1 . PHE A 1 85  ? -3.82185  -7.66093  -11.50036 1.000 54.83707 ? 662 PHE A CE1 1 
ATOM   370  C CE2 . PHE A 1 85  ? -2.58371  -8.65863  -13.26400 1.000 48.64247 ? 662 PHE A CE2 1 
ATOM   371  C CZ  . PHE A 1 85  ? -3.00325  -7.54007  -12.59816 1.000 52.69671 ? 662 PHE A CZ  1 
ATOM   372  N N   . LYS A 1 86  ? -4.18461  -14.02586 -9.26479  1.000 52.91328 ? 663 LYS A N   1 
ATOM   373  C CA  . LYS A 1 86  ? -4.82349  -15.18397 -8.64832  1.000 51.95487 ? 663 LYS A CA  1 
ATOM   374  C C   . LYS A 1 86  ? -4.37698  -15.41263 -7.21284  1.000 55.90794 ? 663 LYS A C   1 
ATOM   375  O O   . LYS A 1 86  ? -5.13357  -15.99294 -6.42285  1.000 59.86769 ? 663 LYS A O   1 
ATOM   376  C CB  . LYS A 1 86  ? -4.56631  -16.44374 -9.47755  1.000 52.18748 ? 663 LYS A CB  1 
ATOM   377  C CG  . LYS A 1 86  ? -5.27869  -16.40764 -10.80643 1.000 52.48505 ? 663 LYS A CG  1 
ATOM   378  C CD  . LYS A 1 86  ? -5.51275  -17.80352 -11.35118 1.000 54.61221 ? 663 LYS A CD  1 
ATOM   379  C CE  . LYS A 1 86  ? -6.99747  -18.03489 -11.58974 1.000 59.01316 ? 663 LYS A CE  1 
ATOM   380  N NZ  . LYS A 1 86  ? -7.42733  -17.40200 -12.86188 1.000 58.42613 ? 663 LYS A NZ  1 
ATOM   381  N N   . GLY A 1 87  ? -3.19769  -14.93142 -6.84106  1.000 55.56586 ? 664 GLY A N   1 
ATOM   382  C CA  . GLY A 1 87  ? -2.72898  -14.99765 -5.47099  1.000 56.18669 ? 664 GLY A CA  1 
ATOM   383  C C   . GLY A 1 87  ? -1.67698  -16.05116 -5.22268  1.000 54.74979 ? 664 GLY A C   1 
ATOM   384  O O   . GLY A 1 87  ? -1.08816  -16.06352 -4.13814  1.000 60.27991 ? 664 GLY A O   1 
ATOM   385  N N   . GLN A 1 88  ? -1.41435  -16.92788 -6.18461  1.000 55.82689 ? 665 GLN A N   1 
ATOM   386  C CA  . GLN A 1 88  ? -0.49813  -18.03200 -5.95197  1.000 53.55079 ? 665 GLN A CA  1 
ATOM   387  C C   . GLN A 1 88  ? -0.28184  -18.74652 -7.27184  1.000 51.03822 ? 665 GLN A C   1 
ATOM   388  O O   . GLN A 1 88  ? -1.07508  -18.60111 -8.20681  1.000 52.18580 ? 665 GLN A O   1 
ATOM   389  C CB  . GLN A 1 88  ? -1.04484  -18.98653 -4.87320  1.000 56.49176 ? 665 GLN A CB  1 
ATOM   390  C CG  . GLN A 1 88  ? -2.27498  -19.82273 -5.30548  1.000 54.26769 ? 665 GLN A CG  1 
ATOM   391  C CD  . GLN A 1 88  ? -3.62027  -19.07531 -5.20886  1.000 53.38078 ? 665 GLN A CD  1 
ATOM   392  O OE1 . GLN A 1 88  ? -4.00802  -18.58223 -4.14589  1.000 60.34557 ? 665 GLN A OE1 1 
ATOM   393  N NE2 . GLN A 1 88  ? -4.34233  -19.01980 -6.32881  1.000 55.26539 ? 665 GLN A NE2 1 
ATOM   394  N N   . VAL A 1 89  ? 0.82044   -19.49395 -7.35243  1.000 46.98530 ? 666 VAL A N   1 
ATOM   395  C CA  . VAL A 1 89  ? 1.11274   -20.34322 -8.50698  1.000 47.47083 ? 666 VAL A CA  1 
ATOM   396  C C   . VAL A 1 89  ? 2.15422   -21.35446 -8.05017  1.000 47.01854 ? 666 VAL A C   1 
ATOM   397  O O   . VAL A 1 89  ? 3.01004   -21.04045 -7.22360  1.000 45.94243 ? 666 VAL A O   1 
ATOM   398  C CB  . VAL A 1 89  ? 1.59626   -19.50599 -9.72069  1.000 47.22071 ? 666 VAL A CB  1 
ATOM   399  C CG1 . VAL A 1 89  ? 2.93284   -18.85613 -9.42854  1.000 48.99215 ? 666 VAL A CG1 1 
ATOM   400  C CG2 . VAL A 1 89  ? 1.65613   -20.35225 -10.98254 1.000 42.41672 ? 666 VAL A CG2 1 
ATOM   401  N N   . VAL A 1 90  ? 2.06237   -22.58076 -8.55180  1.000 44.35013 ? 667 VAL A N   1 
ATOM   402  C CA  . VAL A 1 90  ? 2.89479   -23.67066 -8.02538  1.000 44.76154 ? 667 VAL A CA  1 
ATOM   403  C C   . VAL A 1 90  ? 4.09903   -23.94312 -8.91478  1.000 43.47755 ? 667 VAL A C   1 
ATOM   404  O O   . VAL A 1 90  ? 5.23378   -24.00308 -8.43817  1.000 40.92736 ? 667 VAL A O   1 
ATOM   405  C CB  . VAL A 1 90  ? 2.05695   -24.95190 -7.80876  1.000 42.00827 ? 667 VAL A CB  1 
ATOM   406  C CG1 . VAL A 1 90  ? 2.96768   -26.09592 -7.40622  1.000 43.94962 ? 667 VAL A CG1 1 
ATOM   407  C CG2 . VAL A 1 90  ? 1.03058   -24.72382 -6.72063  1.000 42.39016 ? 667 VAL A CG2 1 
ATOM   408  N N   . GLN A 1 91  ? 3.86389   -24.12460 -10.20220 1.000 40.62341 ? 668 GLN A N   1 
ATOM   409  C CA  . GLN A 1 91  ? 4.90762   -24.41896 -11.16682 1.000 41.39231 ? 668 GLN A CA  1 
ATOM   410  C C   . GLN A 1 91  ? 5.35758   -23.14018 -11.85802 1.000 41.63925 ? 668 GLN A C   1 
ATOM   411  O O   . GLN A 1 91  ? 4.56002   -22.22275 -12.06987 1.000 40.85652 ? 668 GLN A O   1 
ATOM   412  C CB  . GLN A 1 91  ? 4.39064   -25.41022 -12.20192 1.000 38.95549 ? 668 GLN A CB  1 
ATOM   413  C CG  . GLN A 1 91  ? 4.23609   -26.80801 -11.68099 1.000 40.10475 ? 668 GLN A CG  1 
ATOM   414  C CD  . GLN A 1 91  ? 3.78090   -27.73762 -12.76365 1.000 42.24651 ? 668 GLN A CD  1 
ATOM   415  O OE1 . GLN A 1 91  ? 2.71267   -27.55249 -13.34054 1.000 39.07842 ? 668 GLN A OE1 1 
ATOM   416  N NE2 . GLN A 1 91  ? 4.59111   -28.74486 -13.05854 1.000 44.58219 ? 668 GLN A NE2 1 
ATOM   417  N N   . THR A 1 92  ? 6.64247   -23.08124 -12.20895 1.000 38.79111 ? 669 THR A N   1 
ATOM   418  C CA  . THR A 1 92  ? 7.13312   -21.89316 -12.88889 1.000 40.38157 ? 669 THR A CA  1 
ATOM   419  C C   . THR A 1 92  ? 6.55493   -21.81107 -14.29561 1.000 40.55618 ? 669 THR A C   1 
ATOM   420  O O   . THR A 1 92  ? 5.96507   -22.75964 -14.82077 1.000 36.22626 ? 669 THR A O   1 
ATOM   421  C CB  . THR A 1 92  ? 8.65662   -21.89112 -12.96926 1.000 41.24962 ? 669 THR A CB  1 
ATOM   422  O OG1 . THR A 1 92  ? 9.08384   -22.95194 -13.82715 1.000 39.81279 ? 669 THR A OG1 1 
ATOM   423  C CG2 . THR A 1 92  ? 9.25430   -22.10091 -11.61790 1.000 40.23933 ? 669 THR A CG2 1 
ATOM   424  N N   . LEU A 1 93  ? 6.73672   -20.64659 -14.91809 1.000 43.25846 ? 670 LEU A N   1 
ATOM   425  C CA  . LEU A 1 93  ? 6.30453   -20.47961 -16.30163 1.000 39.28791 ? 670 LEU A CA  1 
ATOM   426  C C   . LEU A 1 93  ? 6.95806   -21.51989 -17.21304 1.000 37.62205 ? 670 LEU A C   1 
ATOM   427  O O   . LEU A 1 93  ? 6.32472   -22.03260 -18.14068 1.000 35.61537 ? 670 LEU A O   1 
ATOM   428  C CB  . LEU A 1 93  ? 6.61083   -19.05441 -16.76530 1.000 40.02657 ? 670 LEU A CB  1 
ATOM   429  C CG  . LEU A 1 93  ? 6.34863   -18.73278 -18.23328 1.000 37.82402 ? 670 LEU A CG  1 
ATOM   430  C CD1 . LEU A 1 93  ? 4.87361   -18.85786 -18.57703 1.000 38.58196 ? 670 LEU A CD1 1 
ATOM   431  C CD2 . LEU A 1 93  ? 6.83836   -17.35408 -18.53593 1.000 37.25359 ? 670 LEU A CD2 1 
ATOM   432  N N   . GLU A 1 94  ? 8.20319   -21.88749 -16.93473 1.000 37.34546 ? 671 GLU A N   1 
ATOM   433  C CA  . GLU A 1 94  ? 8.89236   -22.85542 -17.78543 1.000 38.03380 ? 671 GLU A CA  1 
ATOM   434  C C   . GLU A 1 94  ? 8.31512   -24.26420 -17.63830 1.000 38.58183 ? 671 GLU A C   1 
ATOM   435  O O   . GLU A 1 94  ? 8.11993   -24.96766 -18.63537 1.000 36.11647 ? 671 GLU A O   1 
ATOM   436  C CB  . GLU A 1 94  ? 10.38259  -22.84263 -17.47148 1.000 38.69277 ? 671 GLU A CB  1 
ATOM   437  C CG  . GLU A 1 94  ? 11.04846  -21.50417 -17.79713 1.000 43.78765 ? 671 GLU A CG  1 
ATOM   438  C CD  . GLU A 1 94  ? 10.70833  -20.35380 -16.80989 1.000 50.72433 ? 671 GLU A CD  1 
ATOM   439  O OE1 . GLU A 1 94  ? 10.13703  -20.60799 -15.71846 1.000 47.17031 ? 671 GLU A OE1 1 
ATOM   440  O OE2 . GLU A 1 94  ? 11.03192  -19.17970 -17.12539 1.000 52.84616 ? 671 GLU A OE2 1 
ATOM   441  N N   . GLU A 1 95  ? 8.04244   -24.70544 -16.40600 1.000 37.81747 ? 672 GLU A N   1 
ATOM   442  C CA  . GLU A 1 95  ? 7.43250   -26.02459 -16.21781 1.000 36.26953 ? 672 GLU A CA  1 
ATOM   443  C C   . GLU A 1 95  ? 6.03673   -26.07681 -16.82019 1.000 35.26471 ? 672 GLU A C   1 
ATOM   444  O O   . GLU A 1 95  ? 5.66159   -27.07112 -17.45290 1.000 35.79855 ? 672 GLU A O   1 
ATOM   445  C CB  . GLU A 1 95  ? 7.38267   -26.38691 -14.72901 1.000 38.11122 ? 672 GLU A CB  1 
ATOM   446  C CG  . GLU A 1 95  ? 8.74716   -26.55644 -14.08723 1.000 40.82452 ? 672 GLU A CG  1 
ATOM   447  C CD  . GLU A 1 95  ? 8.72224   -26.42576 -12.56731 1.000 45.57692 ? 672 GLU A CD  1 
ATOM   448  O OE1 . GLU A 1 95  ? 7.66062   -26.06936 -12.00585 1.000 44.49373 ? 672 GLU A OE1 1 
ATOM   449  O OE2 . GLU A 1 95  ? 9.76899   -26.67780 -11.92911 1.000 46.81759 ? 672 GLU A OE2 1 
ATOM   450  N N   . ARG A 1 96  ? 5.25102   -25.01052 -16.64946 1.000 33.74674 ? 673 ARG A N   1 
ATOM   451  C CA  . ARG A 1 96  ? 3.89235   -25.01100 -17.18274 1.000 32.83430 ? 673 ARG A CA  1 
ATOM   452  C C   . ARG A 1 96  ? 3.89909   -24.98990 -18.70394 1.000 32.79700 ? 673 ARG A C   1 
ATOM   453  O O   . ARG A 1 96  ? 3.04253   -25.60831 -19.33756 1.000 31.60416 ? 673 ARG A O   1 
ATOM   454  C CB  . ARG A 1 96  ? 3.10829   -23.82797 -16.61740 1.000 32.90723 ? 673 ARG A CB  1 
ATOM   455  C CG  . ARG A 1 96  ? 2.95683   -23.90708 -15.10380 1.000 36.06719 ? 673 ARG A CG  1 
ATOM   456  C CD  . ARG A 1 96  ? 2.10338   -22.78288 -14.52258 1.000 35.25183 ? 673 ARG A CD  1 
ATOM   457  N NE  . ARG A 1 96  ? 2.86368   -21.55653 -14.32125 1.000 36.95348 ? 673 ARG A NE  1 
ATOM   458  C CZ  . ARG A 1 96  ? 2.57944   -20.39881 -14.90058 1.000 38.12186 ? 673 ARG A CZ  1 
ATOM   459  N NH1 . ARG A 1 96  ? 1.57730   -20.28118 -15.75307 1.000 35.35724 ? 673 ARG A NH1 1 
ATOM   460  N NH2 . ARG A 1 96  ? 3.31846   -19.33249 -14.61508 1.000 40.60504 ? 673 ARG A NH2 1 
ATOM   461  N N   . THR A 1 97  ? 4.84837   -24.27897 -19.30342 1.000 31.22059 ? 674 THR A N   1 
ATOM   462  C CA  . THR A 1 97  ? 4.97581   -24.24581 -20.75720 1.000 34.82819 ? 674 THR A CA  1 
ATOM   463  C C   . THR A 1 97  ? 5.56537   -25.55440 -21.28003 1.000 35.82592 ? 674 THR A C   1 
ATOM   464  O O   . THR A 1 97  ? 5.06855   -26.13715 -22.25104 1.000 32.05752 ? 674 THR A O   1 
ATOM   465  C CB  . THR A 1 97  ? 5.85009   -23.05924 -21.15901 1.000 34.25080 ? 674 THR A CB  1 
ATOM   466  O OG1 . THR A 1 97  ? 5.33757   -21.86305 -20.55224 1.000 35.27321 ? 674 THR A OG1 1 
ATOM   467  C CG2 . THR A 1 97  ? 5.87376   -22.88380 -22.65099 1.000 36.73084 ? 674 THR A CG2 1 
ATOM   468  N N   . GLU A 1 98  ? 6.61672   -26.04527 -20.63154 1.000 35.16871 ? 675 GLU A N   1 
ATOM   469  C CA  . GLU A 1 98  ? 7.18732   -27.31000 -21.06335 1.000 36.90221 ? 675 GLU A CA  1 
ATOM   470  C C   . GLU A 1 98  ? 6.14943   -28.42666 -21.03719 1.000 36.53850 ? 675 GLU A C   1 
ATOM   471  O O   . GLU A 1 98  ? 6.11439   -29.26158 -21.94176 1.000 37.05851 ? 675 GLU A O   1 
ATOM   472  C CB  . GLU A 1 98  ? 8.38871   -27.67592 -20.20144 1.000 36.97444 ? 675 GLU A CB  1 
ATOM   473  C CG  . GLU A 1 98  ? 9.29895   -28.64363 -20.90581 1.000 42.26886 ? 675 GLU A CG  1 
ATOM   474  C CD  . GLU A 1 98  ? 10.49178  -29.01689 -20.08344 1.000 45.17736 ? 675 GLU A CD  1 
ATOM   475  O OE1 . GLU A 1 98  ? 10.82673  -28.26863 -19.13769 1.000 50.05475 ? 675 GLU A OE1 1 
ATOM   476  O OE2 . GLU A 1 98  ? 11.10082  -30.06563 -20.38793 1.000 49.44410 ? 675 GLU A OE2 1 
ATOM   477  N N   . THR A 1 99  ? 5.28972   -28.46392 -20.01709 1.000 34.42200 ? 676 THR A N   1 
ATOM   478  C CA  . THR A 1 99  ? 4.28693   -29.52706 -19.97203 1.000 36.06652 ? 676 THR A CA  1 
ATOM   479  C C   . THR A 1 99  ? 3.27781   -29.39978 -21.11208 1.000 34.51561 ? 676 THR A C   1 
ATOM   480  O O   . THR A 1 99  ? 2.92594   -30.39860 -21.74970 1.000 35.94756 ? 676 THR A O   1 
ATOM   481  C CB  . THR A 1 99  ? 3.57409   -29.52229 -18.61512 1.000 36.17112 ? 676 THR A CB  1 
ATOM   482  O OG1 . THR A 1 99  ? 4.54018   -29.70017 -17.58691 1.000 33.95757 ? 676 THR A OG1 1 
ATOM   483  C CG2 . THR A 1 99  ? 2.57936   -30.64866 -18.51810 1.000 33.55261 ? 676 THR A CG2 1 
ATOM   484  N N   . LEU A 1 100 ? 2.79944   -28.18719 -21.38868 1.000 34.57911 ? 677 LEU A N   1 
ATOM   485  C CA  . LEU A 1 100 ? 1.81764   -28.00900 -22.45578 1.000 33.77460 ? 677 LEU A CA  1 
ATOM   486  C C   . LEU A 1 100 ? 2.37858   -28.40512 -23.81595 1.000 33.73078 ? 677 LEU A C   1 
ATOM   487  O O   . LEU A 1 100 ? 1.63570   -28.88111 -24.68256 1.000 33.46930 ? 677 LEU A O   1 
ATOM   488  C CB  . LEU A 1 100 ? 1.32811   -26.55968 -22.47996 1.000 33.34869 ? 677 LEU A CB  1 
ATOM   489  C CG  . LEU A 1 100 ? 0.24391   -26.20258 -21.46313 1.000 32.74187 ? 677 LEU A CG  1 
ATOM   490  C CD1 . LEU A 1 100 ? 0.06713   -24.67960 -21.36308 1.000 34.88967 ? 677 LEU A CD1 1 
ATOM   491  C CD2 . LEU A 1 100 ? -1.08406  -26.84233 -21.82299 1.000 31.94987 ? 677 LEU A CD2 1 
ATOM   492  N N   . LYS A 1 101 ? 3.68422   -28.22880 -24.01753 1.000 33.61861 ? 678 LYS A N   1 
ATOM   493  C CA  . LYS A 1 101 ? 4.31513   -28.62339 -25.26892 1.000 34.83969 ? 678 LYS A CA  1 
ATOM   494  C C   . LYS A 1 101 ? 4.08022   -30.09395 -25.61140 1.000 36.41730 ? 678 LYS A C   1 
ATOM   495  O O   . LYS A 1 101 ? 4.11067   -30.46667 -26.79153 1.000 35.00000 ? 678 LYS A O   1 
ATOM   496  C CB  . LYS A 1 101 ? 5.81548   -28.35509 -25.19809 1.000 36.15378 ? 678 LYS A CB  1 
ATOM   497  C CG  . LYS A 1 101 ? 6.60654   -29.08744 -26.25966 1.000 37.40732 ? 678 LYS A CG  1 
ATOM   498  C CD  . LYS A 1 101 ? 8.08608   -28.87753 -26.09433 1.000 38.79310 ? 678 LYS A CD  1 
ATOM   499  C CE  . LYS A 1 101 ? 8.68930   -29.86625 -25.11885 1.000 40.84517 ? 678 LYS A CE  1 
ATOM   500  N NZ  . LYS A 1 101 ? 10.16987  -29.68822 -25.03469 1.000 39.23183 ? 678 LYS A NZ  1 
ATOM   501  N N   . HIS A 1 102 ? 3.90381   -30.95619 -24.61866 1.000 33.34719 ? 679 HIS A N   1 
ATOM   502  C CA  . HIS A 1 102 ? 3.73433   -32.37375 -24.91416 1.000 32.71408 ? 679 HIS A CA  1 
ATOM   503  C C   . HIS A 1 102 ? 2.29336   -32.75380 -25.20830 1.000 34.40111 ? 679 HIS A C   1 
ATOM   504  O O   . HIS A 1 102 ? 2.03382   -33.92364 -25.51548 1.000 34.59835 ? 679 HIS A O   1 
ATOM   505  C CB  . HIS A 1 102 ? 4.25125   -33.21762 -23.76081 1.000 34.99814 ? 679 HIS A CB  1 
ATOM   506  C CG  . HIS A 1 102 ? 5.72112   -33.08788 -23.55026 1.000 36.32148 ? 679 HIS A CG  1 
ATOM   507  N ND1 . HIS A 1 102 ? 6.62741   -33.97593 -24.08240 1.000 35.30304 ? 679 HIS A ND1 1 
ATOM   508  C CD2 . HIS A 1 102 ? 6.44652   -32.15816 -22.88528 1.000 36.14253 ? 679 HIS A CD2 1 
ATOM   509  C CE1 . HIS A 1 102 ? 7.84909   -33.60872 -23.74407 1.000 36.46008 ? 679 HIS A CE1 1 
ATOM   510  N NE2 . HIS A 1 102 ? 7.76707   -32.50396 -23.02321 1.000 37.15371 ? 679 HIS A NE2 1 
ATOM   511  N N   . ILE A 1 103 ? 1.36293   -31.79998 -25.15454 1.000 31.22882 ? 680 ILE A N   1 
ATOM   512  C CA  . ILE A 1 103 ? -0.05783  -32.08880 -25.28433 1.000 31.06047 ? 680 ILE A CA  1 
ATOM   513  C C   . ILE A 1 103 ? -0.43310  -32.07528 -26.75889 1.000 35.57774 ? 680 ILE A C   1 
ATOM   514  O O   . ILE A 1 103 ? -0.06951  -31.15127 -27.49757 1.000 34.16359 ? 680 ILE A O   1 
ATOM   515  C CB  . ILE A 1 103 ? -0.89333  -31.07929 -24.48711 1.000 32.83358 ? 680 ILE A CB  1 
ATOM   516  C CG1 . ILE A 1 103 ? -0.54696  -31.15821 -22.98157 1.000 34.32734 ? 680 ILE A CG1 1 
ATOM   517  C CG2 . ILE A 1 103 ? -2.35035  -31.35438 -24.66921 1.000 31.93416 ? 680 ILE A CG2 1 
ATOM   518  C CD1 . ILE A 1 103 ? -0.64609  -32.56251 -22.40471 1.000 31.14169 ? 680 ILE A CD1 1 
ATOM   519  N N   . ARG A 1 104 ? -1.19517  -33.08526 -27.17619 1.000 34.99581 ? 681 ARG A N   1 
ATOM   520  C CA  . ARG A 1 104 ? -1.44271  -33.32759 -28.59705 1.000 37.99063 ? 681 ARG A CA  1 
ATOM   521  C C   . ARG A 1 104 ? -2.12447  -32.13994 -29.28171 1.000 38.26844 ? 681 ARG A C   1 
ATOM   522  O O   . ARG A 1 104 ? -1.83567  -31.83598 -30.44827 1.000 36.82056 ? 681 ARG A O   1 
ATOM   523  C CB  . ARG A 1 104 ? -2.29828  -34.58669 -28.74976 1.000 37.67194 ? 681 ARG A CB  1 
ATOM   524  C CG  . ARG A 1 104 ? -2.42406  -35.06828 -30.17668 1.000 40.37365 ? 681 ARG A CG  1 
ATOM   525  C CD  . ARG A 1 104 ? -3.56232  -36.05641 -30.30787 1.000 42.86894 ? 681 ARG A CD  1 
ATOM   526  N NE  . ARG A 1 104 ? -3.30926  -37.26817 -29.54025 1.000 40.04702 ? 681 ARG A NE  1 
ATOM   527  C CZ  . ARG A 1 104 ? -2.40404  -38.18006 -29.86052 1.000 42.31518 ? 681 ARG A CZ  1 
ATOM   528  N NH1 . ARG A 1 104 ? -1.65338  -38.05511 -30.94508 1.000 43.94435 ? 681 ARG A NH1 1 
ATOM   529  N NH2 . ARG A 1 104 ? -2.24792  -39.24558 -29.07434 1.000 36.03644 ? 681 ARG A NH2 1 
ATOM   530  N N   . TRP A 1 105 ? -3.04706  -31.46780 -28.58428 1.000 35.22583 ? 682 TRP A N   1 
ATOM   531  C CA  . TRP A 1 105 ? -3.90679  -30.46652 -29.21378 1.000 34.67298 ? 682 TRP A CA  1 
ATOM   532  C C   . TRP A 1 105 ? -3.24958  -29.10693 -29.36435 1.000 35.75329 ? 682 TRP A C   1 
ATOM   533  O O   . TRP A 1 105 ? -3.78660  -28.25293 -30.07943 1.000 36.95003 ? 682 TRP A O   1 
ATOM   534  C CB  . TRP A 1 105 ? -5.19220  -30.29657 -28.40246 1.000 33.37605 ? 682 TRP A CB  1 
ATOM   535  C CG  . TRP A 1 105 ? -5.59382  -31.56890 -27.84661 1.000 35.45902 ? 682 TRP A CG  1 
ATOM   536  C CD1 . TRP A 1 105 ? -5.52369  -31.95368 -26.54761 1.000 33.55692 ? 682 TRP A CD1 1 
ATOM   537  C CD2 . TRP A 1 105 ? -6.09552  -32.69095 -28.57746 1.000 34.52053 ? 682 TRP A CD2 1 
ATOM   538  N NE1 . TRP A 1 105 ? -5.97057  -33.24559 -26.41628 1.000 34.36840 ? 682 TRP A NE1 1 
ATOM   539  C CE2 . TRP A 1 105 ? -6.32605  -33.71918 -27.65135 1.000 35.42288 ? 682 TRP A CE2 1 
ATOM   540  C CE3 . TRP A 1 105 ? -6.37337  -32.92110 -29.92339 1.000 36.19846 ? 682 TRP A CE3 1 
ATOM   541  C CZ2 . TRP A 1 105 ? -6.82662  -34.95788 -28.02784 1.000 37.51349 ? 682 TRP A CZ2 1 
ATOM   542  C CZ3 . TRP A 1 105 ? -6.86680  -34.14912 -30.29952 1.000 36.31036 ? 682 TRP A CZ3 1 
ATOM   543  C CH2 . TRP A 1 105 ? -7.09542  -35.14897 -29.35886 1.000 36.18334 ? 682 TRP A CH2 1 
ATOM   544  N N   . VAL A 1 106 ? -2.12778  -28.87937 -28.70381 1.000 33.18785 ? 683 VAL A N   1 
ATOM   545  C CA  . VAL A 1 106 ? -1.50356  -27.56611 -28.66031 1.000 33.95520 ? 683 VAL A CA  1 
ATOM   546  C C   . VAL A 1 106 ? -0.65687  -27.41453 -29.91268 1.000 37.09096 ? 683 VAL A C   1 
ATOM   547  O O   . VAL A 1 106 ? 0.26974   -28.19538 -30.13901 1.000 36.62654 ? 683 VAL A O   1 
ATOM   548  C CB  . VAL A 1 106 ? -0.65948  -27.40671 -27.38681 1.000 33.82389 ? 683 VAL A CB  1 
ATOM   549  C CG1 . VAL A 1 106 ? 0.14087   -26.11880 -27.42030 1.000 31.34047 ? 683 VAL A CG1 1 
ATOM   550  C CG2 . VAL A 1 106 ? -1.56675  -27.49309 -26.14507 1.000 32.85112 ? 683 VAL A CG2 1 
ATOM   551  N N   . ASP A 1 107 ? -0.98535  -26.42921 -30.74391 1.000 33.89237 ? 684 ASP A N   1 
ATOM   552  C CA  . ASP A 1 107 ? -0.19387  -26.18920 -31.93624 1.000 35.72200 ? 684 ASP A CA  1 
ATOM   553  C C   . ASP A 1 107 ? 0.86623   -25.12110 -31.72811 1.000 35.16532 ? 684 ASP A C   1 
ATOM   554  O O   . ASP A 1 107 ? 1.95720   -25.22202 -32.28288 1.000 35.18817 ? 684 ASP A O   1 
ATOM   555  C CB  . ASP A 1 107 ? -1.10827  -25.79939 -33.10175 1.000 37.29720 ? 684 ASP A CB  1 
ATOM   556  C CG  . ASP A 1 107 ? -2.11382  -26.88296 -33.42629 1.000 39.97515 ? 684 ASP A CG  1 
ATOM   557  O OD1 . ASP A 1 107 ? -1.71244  -28.06281 -33.47202 1.000 40.42209 ? 684 ASP A OD1 1 
ATOM   558  O OD2 . ASP A 1 107 ? -3.31126  -26.57112 -33.61480 1.000 39.26921 ? 684 ASP A OD2 1 
ATOM   559  N N   . GLU A 1 108 ? 0.58193   -24.09777 -30.93629 1.000 35.29357 ? 685 GLU A N   1 
ATOM   560  C CA  . GLU A 1 108 ? 1.55214   -23.04043 -30.71500 1.000 34.14452 ? 685 GLU A CA  1 
ATOM   561  C C   . GLU A 1 108 ? 1.36591   -22.54089 -29.29602 1.000 33.89667 ? 685 GLU A C   1 
ATOM   562  O O   . GLU A 1 108 ? 0.25959   -22.59486 -28.75306 1.000 33.39746 ? 685 GLU A O   1 
ATOM   563  C CB  . GLU A 1 108 ? 1.37832   -21.88985 -31.71179 1.000 34.08193 ? 685 GLU A CB  1 
ATOM   564  C CG  . GLU A 1 108 ? 1.25941   -22.29165 -33.15175 1.000 39.41817 ? 685 GLU A CG  1 
ATOM   565  C CD  . GLU A 1 108 ? 1.19796   -21.08049 -34.08093 1.000 44.27809 ? 685 GLU A CD  1 
ATOM   566  O OE1 . GLU A 1 108 ? 1.37794   -19.93849 -33.59760 1.000 44.21064 ? 685 GLU A OE1 1 
ATOM   567  O OE2 . GLU A 1 108 ? 0.97899   -21.26254 -35.30222 1.000 48.51715 ? 685 GLU A OE2 1 
ATOM   568  N N   . ILE A 1 109 ? 2.44633   -22.07240 -28.68041 1.000 33.88077 ? 686 ILE A N   1 
ATOM   569  C CA  . ILE A 1 109 ? 2.36840   -21.52565 -27.33010 1.000 34.45354 ? 686 ILE A CA  1 
ATOM   570  C C   . ILE A 1 109 ? 2.90866   -20.10387 -27.33988 1.000 35.70247 ? 686 ILE A C   1 
ATOM   571  O O   . ILE A 1 109 ? 3.94145   -19.82648 -27.96660 1.000 32.90354 ? 686 ILE A O   1 
ATOM   572  C CB  . ILE A 1 109 ? 3.12142   -22.39844 -26.30971 1.000 33.83489 ? 686 ILE A CB  1 
ATOM   573  C CG1 . ILE A 1 109 ? 2.51680   -23.80054 -26.25860 1.000 32.01237 ? 686 ILE A CG1 1 
ATOM   574  C CG2 . ILE A 1 109 ? 3.02473   -21.78589 -24.91539 1.000 34.73016 ? 686 ILE A CG2 1 
ATOM   575  C CD1 . ILE A 1 109 ? 3.16751   -24.69269 -25.21094 1.000 34.39034 ? 686 ILE A CD1 1 
ATOM   576  N N   . ILE A 1 110 ? 2.18688   -19.20006 -26.67918 1.000 34.03825 ? 687 ILE A N   1 
ATOM   577  C CA  . ILE A 1 110 ? 2.68575   -17.86665 -26.36458 1.000 34.67565 ? 687 ILE A CA  1 
ATOM   578  C C   . ILE A 1 110 ? 2.93476   -17.85139 -24.86460 1.000 35.68152 ? 687 ILE A C   1 
ATOM   579  O O   . ILE A 1 110 ? 1.98390   -17.88643 -24.07494 1.000 33.90285 ? 687 ILE A O   1 
ATOM   580  C CB  . ILE A 1 110 ? 1.69864   -16.76788 -26.78175 1.000 35.50755 ? 687 ILE A CB  1 
ATOM   581  C CG1 . ILE A 1 110 ? 1.52804   -16.74448 -28.29210 1.000 34.78214 ? 687 ILE A CG1 1 
ATOM   582  C CG2 . ILE A 1 110 ? 2.17086   -15.38407 -26.28892 1.000 35.89814 ? 687 ILE A CG2 1 
ATOM   583  C CD1 . ILE A 1 110 ? 0.49235   -15.75108 -28.75029 1.000 36.44925 ? 687 ILE A CD1 1 
ATOM   584  N N   . SER A 1 111 ? 4.21597   -17.79844 -24.47073 1.000 34.31778 ? 688 SER A N   1 
ATOM   585  C CA  . SER A 1 111 ? 4.66937   -17.93751 -23.09427 1.000 35.10929 ? 688 SER A CA  1 
ATOM   586  C C   . SER A 1 111 ? 5.79137   -16.94795 -22.81754 1.000 37.77301 ? 688 SER A C   1 
ATOM   587  O O   . SER A 1 111 ? 6.90562   -17.12760 -23.32502 1.000 38.00151 ? 688 SER A O   1 
ATOM   588  C CB  . SER A 1 111 ? 5.14664   -19.37407 -22.85137 1.000 37.36610 ? 688 SER A CB  1 
ATOM   589  O OG  . SER A 1 111 ? 5.68177   -19.55435 -21.54931 1.000 36.71105 ? 688 SER A OG  1 
ATOM   590  N N   . PRO A 1 112 ? 5.55930   -15.89583 -22.01384 1.000 36.62101 ? 689 PRO A N   1 
ATOM   591  C CA  . PRO A 1 112 ? 4.30443   -15.61441 -21.32539 1.000 37.97551 ? 689 PRO A CA  1 
ATOM   592  C C   . PRO A 1 112 ? 3.35231   -14.93088 -22.25740 1.000 39.33660 ? 689 PRO A C   1 
ATOM   593  O O   . PRO A 1 112 ? 3.82444   -14.32655 -23.21322 1.000 37.69444 ? 689 PRO A O   1 
ATOM   594  C CB  . PRO A 1 112 ? 4.72654   -14.65661 -20.21423 1.000 39.39137 ? 689 PRO A CB  1 
ATOM   595  C CG  . PRO A 1 112 ? 5.82088   -13.85913 -20.86601 1.000 37.95346 ? 689 PRO A CG  1 
ATOM   596  C CD  . PRO A 1 112 ? 6.58265   -14.88491 -21.69612 1.000 37.55866 ? 689 PRO A CD  1 
ATOM   597  N N   . CYS A 1 113 ? 2.06251   -14.99885 -21.97257 1.000 37.79539 ? 690 CYS A N   1 
ATOM   598  C CA  . CYS A 1 113 ? 1.04692   -14.26776 -22.70717 1.000 39.26760 ? 690 CYS A CA  1 
ATOM   599  C C   . CYS A 1 113 ? 0.59185   -13.06638 -21.90561 1.000 37.84393 ? 690 CYS A C   1 
ATOM   600  O O   . CYS A 1 113 ? 0.90226   -12.93020 -20.72286 1.000 41.88473 ? 690 CYS A O   1 
ATOM   601  C CB  . CYS A 1 113 ? -0.13541  -15.17941 -23.00523 1.000 36.01132 ? 690 CYS A CB  1 
ATOM   602  S SG  . CYS A 1 113 ? -1.01825  -15.68812 -21.50326 1.000 39.00433 ? 690 CYS A SG  1 
ATOM   603  N N   . PRO A 1 114 ? -0.13464  -12.15560 -22.51650 1.000 39.19657 ? 691 PRO A N   1 
ATOM   604  C CA  . PRO A 1 114 ? -0.69409  -11.04629 -21.73967 1.000 43.12606 ? 691 PRO A CA  1 
ATOM   605  C C   . PRO A 1 114 ? -1.78784  -11.55497 -20.81606 1.000 42.59998 ? 691 PRO A C   1 
ATOM   606  O O   . PRO A 1 114 ? -2.44626  -12.55841 -21.09566 1.000 40.32086 ? 691 PRO A O   1 
ATOM   607  C CB  . PRO A 1 114 ? -1.25244  -10.10981 -22.81269 1.000 42.13081 ? 691 PRO A CB  1 
ATOM   608  C CG  . PRO A 1 114 ? -0.48383  -10.47784 -24.05331 1.000 43.56752 ? 691 PRO A CG  1 
ATOM   609  C CD  . PRO A 1 114 ? -0.30875  -11.96483 -23.96529 1.000 39.73612 ? 691 PRO A CD  1 
ATOM   610  N N   . TRP A 1 115 ? -1.96373  -10.86504 -19.68705 1.000 42.56176 ? 692 TRP A N   1 
ATOM   611  C CA  . TRP A 1 115 ? -3.03350  -11.25344 -18.77319 1.000 44.01465 ? 692 TRP A CA  1 
ATOM   612  C C   . TRP A 1 115 ? -4.39888  -10.98936 -19.39219 1.000 46.62688 ? 692 TRP A C   1 
ATOM   613  O O   . TRP A 1 115 ? -5.32327  -11.80306 -19.25145 1.000 46.66140 ? 692 TRP A O   1 
ATOM   614  C CB  . TRP A 1 115 ? -2.90856  -10.51182 -17.44257 1.000 45.43798 ? 692 TRP A CB  1 
ATOM   615  C CG  . TRP A 1 115 ? -3.79595  -11.09997 -16.37095 1.000 45.40477 ? 692 TRP A CG  1 
ATOM   616  C CD1 . TRP A 1 115 ? -4.93577  -10.55115 -15.84899 1.000 44.19536 ? 692 TRP A CD1 1 
ATOM   617  C CD2 . TRP A 1 115 ? -3.61759  -12.36147 -15.70511 1.000 43.33603 ? 692 TRP A CD2 1 
ATOM   618  N NE1 . TRP A 1 115 ? -5.46818  -11.39026 -14.89722 1.000 43.75635 ? 692 TRP A NE1 1 
ATOM   619  C CE2 . TRP A 1 115 ? -4.67931  -12.50856 -14.79586 1.000 46.49839 ? 692 TRP A CE2 1 
ATOM   620  C CE3 . TRP A 1 115 ? -2.65729  -13.37379 -15.78722 1.000 45.05702 ? 692 TRP A CE3 1 
ATOM   621  C CZ2 . TRP A 1 115 ? -4.80600  -13.62446 -13.97312 1.000 46.72374 ? 692 TRP A CZ2 1 
ATOM   622  C CZ3 . TRP A 1 115 ? -2.78758  -14.48465 -14.96971 1.000 42.61680 ? 692 TRP A CZ3 1 
ATOM   623  C CH2 . TRP A 1 115 ? -3.85121  -14.59841 -14.07625 1.000 44.85074 ? 692 TRP A CH2 1 
ATOM   624  N N   . VAL A 1 116 ? -4.54370  -9.85007  -20.06673 1.000 44.87066 ? 693 VAL A N   1 
ATOM   625  C CA  . VAL A 1 116 ? -5.79519  -9.43124  -20.68667 1.000 45.86192 ? 693 VAL A CA  1 
ATOM   626  C C   . VAL A 1 116 ? -5.64271  -9.44749  -22.20320 1.000 45.74702 ? 693 VAL A C   1 
ATOM   627  O O   . VAL A 1 116 ? -4.69134  -8.87324  -22.74693 1.000 43.61298 ? 693 VAL A O   1 
ATOM   628  C CB  . VAL A 1 116 ? -6.21104  -8.02325  -20.23814 1.000 46.08837 ? 693 VAL A CB  1 
ATOM   629  C CG1 . VAL A 1 116 ? -7.63848  -7.72484  -20.69449 1.000 45.22062 ? 693 VAL A CG1 1 
ATOM   630  C CG2 . VAL A 1 116 ? -6.04326  -7.85694  -18.71804 1.000 47.15313 ? 693 VAL A CG2 1 
ATOM   631  N N   . VAL A 1 117 ? -6.61108  -10.06152 -22.87955 1.000 45.34152 ? 694 VAL A N   1 
ATOM   632  C CA  . VAL A 1 117 ? -6.67155  -10.03193 -24.33613 1.000 42.99330 ? 694 VAL A CA  1 
ATOM   633  C C   . VAL A 1 117 ? -7.14111  -8.65972  -24.79874 1.000 46.04531 ? 694 VAL A C   1 
ATOM   634  O O   . VAL A 1 117 ? -8.12303  -8.11452  -24.27910 1.000 48.08882 ? 694 VAL A O   1 
ATOM   635  C CB  . VAL A 1 117 ? -7.60658  -11.14252 -24.84103 1.000 44.59618 ? 694 VAL A CB  1 
ATOM   636  C CG1 . VAL A 1 117 ? -7.85546  -11.01327 -26.33981 1.000 43.21827 ? 694 VAL A CG1 1 
ATOM   637  C CG2 . VAL A 1 117 ? -7.03008  -12.52035 -24.50357 1.000 41.78278 ? 694 VAL A CG2 1 
ATOM   638  N N   . THR A 1 118 ? -6.44874  -8.09087  -25.78116 1.000 46.16900 ? 695 THR A N   1 
ATOM   639  C CA  . THR A 1 118 ? -6.88161  -6.86723  -26.43741 1.000 48.49441 ? 695 THR A CA  1 
ATOM   640  C C   . THR A 1 118 ? -7.18283  -7.12981  -27.90367 1.000 47.98178 ? 695 THR A C   1 
ATOM   641  O O   . THR A 1 118 ? -6.73304  -8.13198  -28.47705 1.000 47.24484 ? 695 THR A O   1 
ATOM   642  C CB  . THR A 1 118 ? -5.82135  -5.76251  -26.36158 1.000 49.23118 ? 695 THR A CB  1 
ATOM   643  O OG1 . THR A 1 118 ? -4.65568  -6.18989  -27.08046 1.000 50.80815 ? 695 THR A OG1 1 
ATOM   644  C CG2 . THR A 1 118 ? -5.45558  -5.48019  -24.91739 1.000 49.22227 ? 695 THR A CG2 1 
ATOM   645  N N   . PRO A 1 119 ? -7.93718  -6.24044  -28.54229 1.000 48.20170 ? 696 PRO A N   1 
ATOM   646  C CA  . PRO A 1 119 ? -8.15959  -6.37567  -29.98749 1.000 47.66769 ? 696 PRO A CA  1 
ATOM   647  C C   . PRO A 1 119 ? -6.88619  -6.29736  -30.80343 1.000 45.54549 ? 696 PRO A C   1 
ATOM   648  O O   . PRO A 1 119 ? -6.80848  -6.95811  -31.84350 1.000 45.30464 ? 696 PRO A O   1 
ATOM   649  C CB  . PRO A 1 119 ? -9.11662  -5.21856  -30.31052 1.000 46.29276 ? 696 PRO A CB  1 
ATOM   650  C CG  . PRO A 1 119 ? -9.09954  -4.32138  -29.11485 1.000 48.99659 ? 696 PRO A CG  1 
ATOM   651  C CD  . PRO A 1 119 ? -8.72604  -5.15341  -27.93927 1.000 49.12433 ? 696 PRO A CD  1 
ATOM   652  N N   . GLU A 1 120 ? -5.88716  -5.51244  -30.38029 1.000 48.32575 ? 697 GLU A N   1 
ATOM   653  C CA  . GLU A 1 120 ? -4.62142  -5.50216  -31.11223 1.000 48.09634 ? 697 GLU A CA  1 
ATOM   654  C C   . GLU A 1 120 ? -3.92103  -6.85217  -31.01853 1.000 48.61089 ? 697 GLU A C   1 
ATOM   655  O O   . GLU A 1 120 ? -3.31965  -7.31268  -31.99558 1.000 46.04064 ? 697 GLU A O   1 
ATOM   656  C CB  . GLU A 1 120 ? -3.69406  -4.41107  -30.59737 1.000 52.10452 ? 697 GLU A CB  1 
ATOM   657  C CG  . GLU A 1 120 ? -4.15490  -2.99468  -30.85017 1.000 55.94174 ? 697 GLU A CG  1 
ATOM   658  C CD  . GLU A 1 120 ? -4.91962  -2.43991  -29.67669 1.000 58.45920 ? 697 GLU A CD  1 
ATOM   659  O OE1 . GLU A 1 120 ? -5.57291  -3.25409  -28.98130 1.000 55.76193 ? 697 GLU A OE1 1 
ATOM   660  O OE2 . GLU A 1 120 ? -4.85132  -1.20354  -29.44197 1.000 66.89466 ? 697 GLU A OE2 1 
ATOM   661  N N   . PHE A 1 121 ? -3.97218  -7.49737  -29.84846 1.000 46.82017 ? 698 PHE A N   1 
ATOM   662  C CA  . PHE A 1 121 ? -3.40738  -8.83645  -29.73229 1.000 46.60156 ? 698 PHE A CA  1 
ATOM   663  C C   . PHE A 1 121 ? -4.06336  -9.79721  -30.71860 1.000 44.55366 ? 698 PHE A C   1 
ATOM   664  O O   . PHE A 1 121 ? -3.37676  -10.54727 -31.42063 1.000 45.59833 ? 698 PHE A O   1 
ATOM   665  C CB  . PHE A 1 121 ? -3.54936  -9.34309  -28.30124 1.000 47.19278 ? 698 PHE A CB  1 
ATOM   666  C CG  . PHE A 1 121 ? -3.00313  -10.72266 -28.09664 1.000 45.40066 ? 698 PHE A CG  1 
ATOM   667  C CD1 . PHE A 1 121 ? -1.67546  -10.90922 -27.74269 1.000 43.91442 ? 698 PHE A CD1 1 
ATOM   668  C CD2 . PHE A 1 121 ? -3.81814  -11.83868 -28.26434 1.000 42.40901 ? 698 PHE A CD2 1 
ATOM   669  C CE1 . PHE A 1 121 ? -1.15989  -12.18196 -27.55444 1.000 43.38453 ? 698 PHE A CE1 1 
ATOM   670  C CE2 . PHE A 1 121 ? -3.31677  -13.12007 -28.07225 1.000 41.49630 ? 698 PHE A CE2 1 
ATOM   671  C CZ  . PHE A 1 121 ? -1.98014  -13.29265 -27.71771 1.000 39.94958 ? 698 PHE A CZ  1 
ATOM   672  N N   . LEU A 1 122 ? -5.39465  -9.78597  -30.79199 1.000 43.77220 ? 699 LEU A N   1 
ATOM   673  C CA  . LEU A 1 122 ? -6.08789  -10.64414 -31.74771 1.000 42.99542 ? 699 LEU A CA  1 
ATOM   674  C C   . LEU A 1 122 ? -5.64232  -10.36237 -33.17451 1.000 44.77885 ? 699 LEU A C   1 
ATOM   675  O O   . LEU A 1 122 ? -5.42596  -11.28930 -33.96230 1.000 42.68534 ? 699 LEU A O   1 
ATOM   676  C CB  . LEU A 1 122 ? -7.59710  -10.45191 -31.63284 1.000 43.64186 ? 699 LEU A CB  1 
ATOM   677  C CG  . LEU A 1 122 ? -8.21705  -10.91276 -30.32172 1.000 44.94889 ? 699 LEU A CG  1 
ATOM   678  C CD1 . LEU A 1 122 ? -9.71265  -10.73351 -30.42667 1.000 43.78527 ? 699 LEU A CD1 1 
ATOM   679  C CD2 . LEU A 1 122 ? -7.84409  -12.36373 -30.02518 1.000 41.48887 ? 699 LEU A CD2 1 
ATOM   680  N N   . GLU A 1 123 ? -5.52740  -9.08783  -33.53302 1.000 43.94451 ? 700 GLU A N   1 
ATOM   681  C CA  . GLU A 1 123 ? -5.05009  -8.73666  -34.85947 1.000 47.09926 ? 700 GLU A CA  1 
ATOM   682  C C   . GLU A 1 123 ? -3.62889  -9.23424  -35.07084 1.000 46.58593 ? 700 GLU A C   1 
ATOM   683  O O   . GLU A 1 123 ? -3.33438  -9.89712  -36.06783 1.000 48.38751 ? 700 GLU A O   1 
ATOM   684  C CB  . GLU A 1 123 ? -5.13529  -7.22168  -35.04964 1.000 47.46367 ? 700 GLU A CB  1 
ATOM   685  C CG  . GLU A 1 123 ? -4.60561  -6.73878  -36.37106 1.000 54.62572 ? 700 GLU A CG  1 
ATOM   686  C CD  . GLU A 1 123 ? -5.38130  -7.29741  -37.55602 1.000 61.69399 ? 700 GLU A CD  1 
ATOM   687  O OE1 . GLU A 1 123 ? -5.25766  -8.51829  -37.84513 1.000 61.46257 ? 700 GLU A OE1 1 
ATOM   688  O OE2 . GLU A 1 123 ? -6.12279  -6.51148  -38.19168 1.000 63.94013 ? 700 GLU A OE2 1 
ATOM   689  N N   . LYS A 1 124 ? -2.72988  -8.92337  -34.13853 1.000 46.36387 ? 701 LYS A N   1 
ATOM   690  C CA  . LYS A 1 124 ? -1.31439  -9.19830  -34.36638 1.000 47.06395 ? 701 LYS A CA  1 
ATOM   691  C C   . LYS A 1 124 ? -1.06252  -10.68143 -34.63917 1.000 47.25608 ? 701 LYS A C   1 
ATOM   692  O O   . LYS A 1 124 ? -0.18228  -11.03061 -35.44081 1.000 47.33199 ? 701 LYS A O   1 
ATOM   693  C CB  . LYS A 1 124 ? -0.49103  -8.71482  -33.17038 1.000 47.65496 ? 701 LYS A CB  1 
ATOM   694  C CG  . LYS A 1 124 ? 0.96565   -9.19820  -33.13371 1.000 49.86653 ? 701 LYS A CG  1 
ATOM   695  C CD  . LYS A 1 124 ? 1.59150   -8.90478  -31.76085 1.000 51.93141 ? 701 LYS A CD  1 
ATOM   696  C CE  . LYS A 1 124 ? 3.08269   -9.24596  -31.69362 1.000 55.90605 ? 701 LYS A CE  1 
ATOM   697  N NZ  . LYS A 1 124 ? 3.88063   -8.31823  -32.52938 1.000 60.01468 ? 701 LYS A NZ  1 
ATOM   698  N N   . TYR A 1 125 ? -1.81339  -11.56987 -33.98098 1.000 45.18194 ? 702 TYR A N   1 
ATOM   699  C CA  . TYR A 1 125 ? -1.61642  -13.01145 -34.11502 1.000 45.12576 ? 702 TYR A CA  1 
ATOM   700  C C   . TYR A 1 125 ? -2.67372  -13.66941 -35.00469 1.000 43.95788 ? 702 TYR A C   1 
ATOM   701  O O   . TYR A 1 125 ? -2.69491  -14.89916 -35.12498 1.000 43.95037 ? 702 TYR A O   1 
ATOM   702  C CB  . TYR A 1 125 ? -1.56597  -13.67348 -32.72365 1.000 41.43111 ? 702 TYR A CB  1 
ATOM   703  C CG  . TYR A 1 125 ? -0.32102  -13.28582 -31.93405 1.000 45.43699 ? 702 TYR A CG  1 
ATOM   704  C CD1 . TYR A 1 125 ? 0.89214   -13.92750 -32.15224 1.000 45.82341 ? 702 TYR A CD1 1 
ATOM   705  C CD2 . TYR A 1 125 ? -0.35408  -12.26095 -30.99524 1.000 45.70180 ? 702 TYR A CD2 1 
ATOM   706  C CE1 . TYR A 1 125 ? 2.04062   -13.56559 -31.44952 1.000 49.25571 ? 702 TYR A CE1 1 
ATOM   707  C CE2 . TYR A 1 125 ? 0.78617   -11.89476 -30.28700 1.000 48.06430 ? 702 TYR A CE2 1 
ATOM   708  C CZ  . TYR A 1 125 ? 1.98085   -12.54607 -30.51870 1.000 48.59807 ? 702 TYR A CZ  1 
ATOM   709  O OH  . TYR A 1 125 ? 3.11475   -12.17629 -29.81761 1.000 54.56591 ? 702 TYR A OH  1 
ATOM   710  N N   . LYS A 1 126 ? -3.52705  -12.87552 -35.65261 1.000 44.32455 ? 703 LYS A N   1 
ATOM   711  C CA  . LYS A 1 126 ? -4.48819  -13.38537 -36.63046 1.000 44.27371 ? 703 LYS A CA  1 
ATOM   712  C C   . LYS A 1 126 ? -5.44282  -14.38942 -35.99221 1.000 42.07025 ? 703 LYS A C   1 
ATOM   713  O O   . LYS A 1 126 ? -5.80317  -15.40742 -36.59034 1.000 40.33831 ? 703 LYS A O   1 
ATOM   714  C CB  . LYS A 1 126 ? -3.77063  -13.99739 -37.83581 1.000 44.86801 ? 703 LYS A CB  1 
ATOM   715  C CG  . LYS A 1 126 ? -2.66578  -13.11221 -38.40892 1.000 46.03183 ? 703 LYS A CG  1 
ATOM   716  C CD  . LYS A 1 126 ? -3.19837  -11.76498 -38.90729 1.000 49.64480 ? 703 LYS A CD  1 
ATOM   717  C CE  . LYS A 1 126 ? -2.06004  -10.76413 -39.17923 1.000 51.48073 ? 703 LYS A CE  1 
ATOM   718  N NZ  . LYS A 1 126 ? -2.56079  -9.37187  -39.47675 1.000 56.25002 ? 703 LYS A NZ  1 
ATOM   719  N N   . ILE A 1 127 ? -5.88578  -14.08159 -34.77608 1.000 41.92871 ? 704 ILE A N   1 
ATOM   720  C CA  . ILE A 1 127 ? -6.74267  -14.97709 -34.00770 1.000 40.35543 ? 704 ILE A CA  1 
ATOM   721  C C   . ILE A 1 127 ? -8.18757  -14.76409 -34.42135 1.000 37.48139 ? 704 ILE A C   1 
ATOM   722  O O   . ILE A 1 127 ? -8.68304  -13.63142 -34.42742 1.000 38.50994 ? 704 ILE A O   1 
ATOM   723  C CB  . ILE A 1 127 ? -6.55766  -14.74885 -32.49969 1.000 39.16017 ? 704 ILE A CB  1 
ATOM   724  C CG1 . ILE A 1 127 ? -5.17801  -15.24856 -32.08242 1.000 40.89456 ? 704 ILE A CG1 1 
ATOM   725  C CG2 . ILE A 1 127 ? -7.64216  -15.46773 -31.72208 1.000 35.97474 ? 704 ILE A CG2 1 
ATOM   726  C CD1 . ILE A 1 127 ? -4.69493  -14.69958 -30.75692 1.000 39.91667 ? 704 ILE A CD1 1 
ATOM   727  N N   . ASP A 1 128 ? -8.86857  -15.85151 -34.78212 1.000 36.51496 ? 705 ASP A N   1 
ATOM   728  C CA  . ASP A 1 128 ? -10.27370 -15.75134 -35.15231 1.000 36.34520 ? 705 ASP A CA  1 
ATOM   729  C C   . ASP A 1 128 ? -11.19507 -15.92602 -33.95215 1.000 37.33379 ? 705 ASP A C   1 
ATOM   730  O O   . ASP A 1 128 ? -12.23116 -15.27102 -33.87495 1.000 35.90513 ? 705 ASP A O   1 
ATOM   731  C CB  . ASP A 1 128 ? -10.62040 -16.79054 -36.22758 1.000 39.00895 ? 705 ASP A CB  1 
ATOM   732  C CG  . ASP A 1 128 ? -9.75806  -16.65422 -37.47894 1.000 39.61342 ? 705 ASP A CG  1 
ATOM   733  O OD1 . ASP A 1 128 ? -9.89007  -15.62936 -38.16278 1.000 44.93330 ? 705 ASP A OD1 1 
ATOM   734  O OD2 . ASP A 1 128 ? -8.94137  -17.55919 -37.77273 1.000 41.60940 ? 705 ASP A OD2 1 
ATOM   735  N N   . TYR A 1 129 ? -10.85482 -16.79605 -33.00510 1.000 37.22711 ? 706 TYR A N   1 
ATOM   736  C CA  . TYR A 1 129 ? -11.71063 -17.00045 -31.84183 1.000 36.64359 ? 706 TYR A CA  1 
ATOM   737  C C   . TYR A 1 129 ? -10.86927 -17.13705 -30.58915 1.000 36.45645 ? 706 TYR A C   1 
ATOM   738  O O   . TYR A 1 129 ? -9.70649  -17.55257 -30.63779 1.000 35.27593 ? 706 TYR A O   1 
ATOM   739  C CB  . TYR A 1 129 ? -12.60434 -18.24090 -31.98293 1.000 35.10624 ? 706 TYR A CB  1 
ATOM   740  C CG  . TYR A 1 129 ? -13.46769 -18.21116 -33.19802 1.000 37.81000 ? 706 TYR A CG  1 
ATOM   741  C CD1 . TYR A 1 129 ? -12.98384 -18.63575 -34.43092 1.000 40.17424 ? 706 TYR A CD1 1 
ATOM   742  C CD2 . TYR A 1 129 ? -14.76783 -17.75776 -33.12827 1.000 38.40489 ? 706 TYR A CD2 1 
ATOM   743  C CE1 . TYR A 1 129 ? -13.78423 -18.60901 -35.56321 1.000 38.73927 ? 706 TYR A CE1 1 
ATOM   744  C CE2 . TYR A 1 129 ? -15.57088 -17.73089 -34.24388 1.000 38.75639 ? 706 TYR A CE2 1 
ATOM   745  C CZ  . TYR A 1 129 ? -15.07765 -18.15343 -35.46229 1.000 39.43562 ? 706 TYR A CZ  1 
ATOM   746  O OH  . TYR A 1 129 ? -15.89927 -18.10725 -36.56781 1.000 38.62786 ? 706 TYR A OH  1 
ATOM   747  N N   . VAL A 1 130 ? -11.48118 -16.78751 -29.45876 1.000 37.84107 ? 707 VAL A N   1 
ATOM   748  C CA  . VAL A 1 130 ? -10.91154 -17.00029 -28.13540 1.000 35.89086 ? 707 VAL A CA  1 
ATOM   749  C C   . VAL A 1 130 ? -11.77734 -18.04331 -27.44417 1.000 39.96328 ? 707 VAL A C   1 
ATOM   750  O O   . VAL A 1 130 ? -13.00005 -17.88175 -27.36597 1.000 40.39335 ? 707 VAL A O   1 
ATOM   751  C CB  . VAL A 1 130 ? -10.86342 -15.69438 -27.32236 1.000 36.41146 ? 707 VAL A CB  1 
ATOM   752  C CG1 . VAL A 1 130 ? -10.42372 -15.97038 -25.90521 1.000 37.50526 ? 707 VAL A CG1 1 
ATOM   753  C CG2 . VAL A 1 130 ? -9.94212  -14.68193 -27.95826 1.000 36.73029 ? 707 VAL A CG2 1 
ATOM   754  N N   . ALA A 1 131 ? -11.15705 -19.11894 -26.96228 1.000 38.74680 ? 708 ALA A N   1 
ATOM   755  C CA  . ALA A 1 131 ? -11.88625 -20.17568 -26.27092 1.000 43.04939 ? 708 ALA A CA  1 
ATOM   756  C C   . ALA A 1 131 ? -11.88316 -19.90022 -24.77893 1.000 43.11672 ? 708 ALA A C   1 
ATOM   757  O O   . ALA A 1 131 ? -10.82551 -19.67242 -24.18794 1.000 45.04000 ? 708 ALA A O   1 
ATOM   758  C CB  . ALA A 1 131 ? -11.27213 -21.55078 -26.54999 1.000 43.36569 ? 708 ALA A CB  1 
ATOM   759  N N   . HIS A 1 132 ? -13.06270 -19.91783 -24.16799 1.000 48.07996 ? 709 HIS A N   1 
ATOM   760  C CA  . HIS A 1 132 ? -13.16810 -19.66272 -22.73874 1.000 51.10772 ? 709 HIS A CA  1 
ATOM   761  C C   . HIS A 1 132 ? -14.26814 -20.53106 -22.14538 1.000 55.65519 ? 709 HIS A C   1 
ATOM   762  O O   . HIS A 1 132 ? -15.20938 -20.93402 -22.82973 1.000 54.57076 ? 709 HIS A O   1 
ATOM   763  C CB  . HIS A 1 132 ? -13.44127 -18.18094 -22.43985 1.000 53.54005 ? 709 HIS A CB  1 
ATOM   764  C CG  . HIS A 1 132 ? -12.98039 -17.75125 -21.08023 1.000 58.30718 ? 709 HIS A CG  1 
ATOM   765  N ND1 . HIS A 1 132 ? -13.85259 -17.49977 -20.04026 1.000 62.93463 ? 709 HIS A ND1 1 
ATOM   766  C CD2 . HIS A 1 132 ? -11.73411 -17.55813 -20.58090 1.000 58.41724 ? 709 HIS A CD2 1 
ATOM   767  C CE1 . HIS A 1 132 ? -13.16562 -17.15972 -18.96143 1.000 63.49311 ? 709 HIS A CE1 1 
ATOM   768  N NE2 . HIS A 1 132 ? -11.87784 -17.18758 -19.26287 1.000 66.26491 ? 709 HIS A NE2 1 
ATOM   769  N N   . ASP A 1 133 ? -14.14631 -20.80655 -20.85321 1.000 59.33453 ? 710 ASP A N   1 
ATOM   770  C CA  . ASP A 1 133 ? -15.12454 -21.63595 -20.16014 1.000 60.34054 ? 710 ASP A CA  1 
ATOM   771  C C   . ASP A 1 133 ? -16.19390 -20.81230 -19.44190 1.000 62.46216 ? 710 ASP A C   1 
ATOM   772  O O   . ASP A 1 133 ? -16.13734 -19.58064 -19.41457 1.000 63.47992 ? 710 ASP A O   1 
ATOM   773  C CB  . ASP A 1 133 ? -14.41104 -22.52728 -19.16439 1.000 61.84996 ? 710 ASP A CB  1 
ATOM   774  C CG  . ASP A 1 133 ? -13.59256 -21.73206 -18.17618 1.000 66.75133 ? 710 ASP A CG  1 
ATOM   775  O OD1 . ASP A 1 133 ? -13.74684 -20.49049 -18.14981 1.000 66.39595 ? 710 ASP A OD1 1 
ATOM   776  O OD2 . ASP A 1 133 ? -12.79556 -22.33841 -17.42410 1.000 72.38423 ? 710 ASP A OD2 1 
ATOM   777  N N   . ASP A 1 144 ? -19.62761 -8.29460  -18.86258 1.000 67.74451 ? 739 ASP A N   1 
ATOM   778  C CA  . ASP A 1 144 ? -18.39891 -8.90993  -18.37705 1.000 67.38379 ? 739 ASP A CA  1 
ATOM   779  C C   . ASP A 1 144 ? -17.18027 -8.45892  -19.19880 1.000 65.63167 ? 739 ASP A C   1 
ATOM   780  O O   . ASP A 1 144 ? -17.31798 -7.91439  -20.29504 1.000 64.36530 ? 739 ASP A O   1 
ATOM   781  C CB  . ASP A 1 144 ? -18.52599 -10.45143 -18.37896 1.000 66.79778 ? 739 ASP A CB  1 
ATOM   782  C CG  . ASP A 1 144 ? -19.06525 -11.02127 -19.70114 1.000 65.58255 ? 739 ASP A CG  1 
ATOM   783  O OD1 . ASP A 1 144 ? -20.11675 -10.55327 -20.19913 1.000 65.07761 ? 739 ASP A OD1 1 
ATOM   784  O OD2 . ASP A 1 144 ? -18.44139 -11.97526 -20.23304 1.000 62.23005 ? 739 ASP A OD2 1 
ATOM   785  N N   . ILE A 1 145 ? -15.97905 -8.66901  -18.65279 1.000 67.85823 ? 740 ILE A N   1 
ATOM   786  C CA  . ILE A 1 145 ? -14.76893 -8.22170  -19.33350 1.000 63.88051 ? 740 ILE A CA  1 
ATOM   787  C C   . ILE A 1 145 ? -14.62798 -8.86703  -20.70497 1.000 60.81766 ? 740 ILE A C   1 
ATOM   788  O O   . ILE A 1 145 ? -13.84101 -8.39474  -21.53580 1.000 60.06031 ? 740 ILE A O   1 
ATOM   789  C CB  . ILE A 1 145 ? -13.53463 -8.50528  -18.44997 1.000 66.05095 ? 740 ILE A CB  1 
ATOM   790  N N   . TYR A 1 146 ? -15.37423 -9.94504  -20.96458 1.000 61.35380 ? 741 TYR A N   1 
ATOM   791  C CA  . TYR A 1 146 ? -15.33501 -10.67850 -22.22569 1.000 54.75016 ? 741 TYR A CA  1 
ATOM   792  C C   . TYR A 1 146 ? -16.49252 -10.32201 -23.15710 1.000 52.19246 ? 741 TYR A C   1 
ATOM   793  O O   . TYR A 1 146 ? -16.68911 -10.99268 -24.17673 1.000 50.74822 ? 741 TYR A O   1 
ATOM   794  C CB  . TYR A 1 146 ? -15.33475 -12.18091 -21.94343 1.000 57.15912 ? 741 TYR A CB  1 
ATOM   795  C CG  . TYR A 1 146 ? -13.99092 -12.75428 -21.51480 1.000 60.45319 ? 741 TYR A CG  1 
ATOM   796  C CD1 . TYR A 1 146 ? -13.57753 -12.73242 -20.18154 1.000 62.68428 ? 741 TYR A CD1 1 
ATOM   797  C CD2 . TYR A 1 146 ? -13.14217 -13.34313 -22.45309 1.000 61.37054 ? 741 TYR A CD2 1 
ATOM   798  C CE1 . TYR A 1 146 ? -12.34074 -13.27117 -19.80093 1.000 62.27666 ? 741 TYR A CE1 1 
ATOM   799  C CE2 . TYR A 1 146 ? -11.90879 -13.88468 -22.08249 1.000 63.61901 ? 741 TYR A CE2 1 
ATOM   800  C CZ  . TYR A 1 146 ? -11.51380 -13.84643 -20.76386 1.000 62.71377 ? 741 TYR A CZ  1 
ATOM   801  O OH  . TYR A 1 146 ? -10.28439 -14.39018 -20.43707 1.000 64.57220 ? 741 TYR A OH  1 
ATOM   802  N N   . ALA A 1 147 ? -17.26051 -9.27958  -22.83164 1.000 54.43790 ? 742 ALA A N   1 
ATOM   803  C CA  . ALA A 1 147 ? -18.43031 -8.92776  -23.63241 1.000 50.42725 ? 742 ALA A CA  1 
ATOM   804  C C   . ALA A 1 147 ? -18.03672 -8.43626  -25.01847 1.000 48.63009 ? 742 ALA A C   1 
ATOM   805  O O   . ALA A 1 147 ? -18.74429 -8.70112  -26.00003 1.000 45.34571 ? 742 ALA A O   1 
ATOM   806  C CB  . ALA A 1 147 ? -19.26109 -7.86743  -22.91110 1.000 54.16726 ? 742 ALA A CB  1 
ATOM   807  N N   . TRP A 1 148 ? -16.91743 -7.71654  -25.12900 1.000 46.11231 ? 743 TRP A N   1 
ATOM   808  C CA  . TRP A 1 148 ? -16.51305 -7.25320  -26.45012 1.000 46.85835 ? 743 TRP A CA  1 
ATOM   809  C C   . TRP A 1 148 ? -16.14847 -8.41704  -27.36707 1.000 44.58016 ? 743 TRP A C   1 
ATOM   810  O O   . TRP A 1 148 ? -16.30191 -8.30594  -28.59004 1.000 43.63796 ? 743 TRP A O   1 
ATOM   811  C CB  . TRP A 1 148 ? -15.36099 -6.25734  -26.33469 1.000 48.86088 ? 743 TRP A CB  1 
ATOM   812  C CG  . TRP A 1 148 ? -14.05211 -6.87293  -25.97301 1.000 49.95540 ? 743 TRP A CG  1 
ATOM   813  C CD1 . TRP A 1 148 ? -13.56483 -7.10776  -24.70787 1.000 51.20080 ? 743 TRP A CD1 1 
ATOM   814  C CD2 . TRP A 1 148 ? -13.04692 -7.32455  -26.88142 1.000 47.91275 ? 743 TRP A CD2 1 
ATOM   815  N NE1 . TRP A 1 148 ? -12.31508 -7.68694  -24.78111 1.000 50.15840 ? 743 TRP A NE1 1 
ATOM   816  C CE2 . TRP A 1 148 ? -11.97133 -7.82366  -26.10325 1.000 49.66771 ? 743 TRP A CE2 1 
ATOM   817  C CE3 . TRP A 1 148 ? -12.94748 -7.35851  -28.28124 1.000 47.10478 ? 743 TRP A CE3 1 
ATOM   818  C CZ2 . TRP A 1 148 ? -10.81026 -8.35150  -26.68388 1.000 50.08027 ? 743 TRP A CZ2 1 
ATOM   819  C CZ3 . TRP A 1 148 ? -11.79623 -7.88271  -28.85818 1.000 47.84428 ? 743 TRP A CZ3 1 
ATOM   820  C CH2 . TRP A 1 148 ? -10.74223 -8.37033  -28.06193 1.000 48.15099 ? 743 TRP A CH2 1 
ATOM   821  N N   . LEU A 1 149 ? -15.68697 -9.54276  -26.81170 1.000 43.07481 ? 744 LEU A N   1 
ATOM   822  C CA  . LEU A 1 149 ? -15.40963 -10.70542 -27.65506 1.000 41.60462 ? 744 LEU A CA  1 
ATOM   823  C C   . LEU A 1 149 ? -16.69700 -11.33227 -28.16619 1.000 39.75079 ? 744 LEU A C   1 
ATOM   824  O O   . LEU A 1 149 ? -16.79000 -11.71092 -29.33961 1.000 41.38550 ? 744 LEU A O   1 
ATOM   825  C CB  . LEU A 1 149 ? -14.59274 -11.73831 -26.88398 1.000 42.82450 ? 744 LEU A CB  1 
ATOM   826  C CG  . LEU A 1 149 ? -13.12067 -11.44292 -26.62631 1.000 43.17918 ? 744 LEU A CG  1 
ATOM   827  C CD1 . LEU A 1 149 ? -12.61387 -12.40904 -25.59557 1.000 43.84871 ? 744 LEU A CD1 1 
ATOM   828  C CD2 . LEU A 1 149 ? -12.34071 -11.59565 -27.90291 1.000 43.54510 ? 744 LEU A CD2 1 
ATOM   829  N N   . LYS A 1 150 ? -17.69655 -11.46880 -27.30022 1.000 40.22191 ? 745 LYS A N   1 
ATOM   830  C CA  . LYS A 1 150 ? -18.97662 -11.99876 -27.74753 1.000 38.92916 ? 745 LYS A CA  1 
ATOM   831  C C   . LYS A 1 150 ? -19.61975 -11.07177 -28.77067 1.000 39.75311 ? 745 LYS A C   1 
ATOM   832  O O   . LYS A 1 150 ? -20.20220 -11.53759 -29.75730 1.000 39.46001 ? 745 LYS A O   1 
ATOM   833  C CB  . LYS A 1 150 ? -19.89258 -12.21207 -26.54450 1.000 41.73332 ? 745 LYS A CB  1 
ATOM   834  C CG  . LYS A 1 150 ? -19.36578 -13.23785 -25.53906 1.000 42.88429 ? 745 LYS A CG  1 
ATOM   835  C CD  . LYS A 1 150 ? -20.10421 -13.11823 -24.20473 1.000 46.92686 ? 745 LYS A CD  1 
ATOM   836  C CE  . LYS A 1 150 ? -19.61817 -14.16042 -23.18504 1.000 48.92740 ? 745 LYS A CE  1 
ATOM   837  N NZ  . LYS A 1 150 ? -20.30439 -14.03251 -21.85730 1.000 50.39677 ? 745 LYS A NZ  1 
ATOM   838  N N   . ARG A 1 151 ? -19.50178 -9.75048  -28.56550 1.000 41.36861 ? 746 ARG A N   1 
ATOM   839  C CA  . ARG A 1 151 ? -20.11955 -8.78110  -29.46545 1.000 43.05606 ? 746 ARG A CA  1 
ATOM   840  C C   . ARG A 1 151 ? -19.52145 -8.82367  -30.85997 1.000 40.91939 ? 746 ARG A C   1 
ATOM   841  O O   . ARG A 1 151 ? -20.19357 -8.42446  -31.81910 1.000 42.33973 ? 746 ARG A O   1 
ATOM   842  C CB  . ARG A 1 151 ? -19.99441 -7.36816  -28.90574 1.000 45.42571 ? 746 ARG A CB  1 
ATOM   843  C CG  . ARG A 1 151 ? -21.31778 -6.79628  -28.53235 1.000 49.34624 ? 746 ARG A CG  1 
ATOM   844  C CD  . ARG A 1 151 ? -21.20504 -5.47572  -27.77472 1.000 52.06144 ? 746 ARG A CD  1 
ATOM   845  N NE  . ARG A 1 151 ? -20.03758 -5.43127  -26.90530 1.000 51.89587 ? 746 ARG A NE  1 
ATOM   846  C CZ  . ARG A 1 151 ? -19.99514 -4.81472  -25.73223 1.000 53.26041 ? 746 ARG A CZ  1 
ATOM   847  N NH1 . ARG A 1 151 ? -21.05417 -4.18923  -25.23797 1.000 57.41311 ? 746 ARG A NH1 1 
ATOM   848  N NH2 . ARG A 1 151 ? -18.86363 -4.83673  -25.03145 1.000 54.04851 ? 746 ARG A NH2 1 
ATOM   849  N N   . ALA A 1 152 ? -18.28943 -9.31163  -30.98670 1.000 38.09116 ? 747 ALA A N   1 
ATOM   850  C CA  . ALA A 1 152 ? -17.59845 -9.43079  -32.25817 1.000 39.09209 ? 747 ALA A CA  1 
ATOM   851  C C   . ALA A 1 152 ? -17.68905 -10.82727 -32.85648 1.000 40.03117 ? 747 ALA A C   1 
ATOM   852  O O   . ALA A 1 152 ? -17.12667 -11.05674 -33.92965 1.000 37.92975 ? 747 ALA A O   1 
ATOM   853  C CB  . ALA A 1 152 ? -16.12159 -9.05715  -32.09090 1.000 37.91908 ? 747 ALA A CB  1 
ATOM   854  N N   . GLY A 1 153 ? -18.37193 -11.76016 -32.18837 1.000 38.62079 ? 748 GLY A N   1 
ATOM   855  C CA  . GLY A 1 153 ? -18.49347 -13.12073 -32.67422 1.000 36.66780 ? 748 GLY A CA  1 
ATOM   856  C C   . GLY A 1 153 ? -17.24954 -13.95857 -32.48775 1.000 38.88193 ? 748 GLY A C   1 
ATOM   857  O O   . GLY A 1 153 ? -17.11676 -15.01015 -33.12451 1.000 40.86012 ? 748 GLY A O   1 
ATOM   858  N N   . LYS A 1 154 ? -16.33234 -13.52170 -31.63335 1.000 35.74614 ? 749 LYS A N   1 
ATOM   859  C CA  . LYS A 1 154 ? -15.03456 -14.15656 -31.45813 1.000 37.98502 ? 749 LYS A CA  1 
ATOM   860  C C   . LYS A 1 154 ? -14.93067 -14.94438 -30.16235 1.000 41.12400 ? 749 LYS A C   1 
ATOM   861  O O   . LYS A 1 154 ? -13.83739 -15.38680 -29.80536 1.000 40.33700 ? 749 LYS A O   1 
ATOM   862  C CB  . LYS A 1 154 ? -13.93346 -13.09837 -31.52038 1.000 38.84969 ? 749 LYS A CB  1 
ATOM   863  C CG  . LYS A 1 154 ? -13.72753 -12.57428 -32.94449 1.000 41.19099 ? 749 LYS A CG  1 
ATOM   864  C CD  . LYS A 1 154 ? -12.84399 -11.33962 -32.98872 1.000 40.63802 ? 749 LYS A CD  1 
ATOM   865  C CE  . LYS A 1 154 ? -12.94987 -10.67965 -34.36146 1.000 43.23446 ? 749 LYS A CE  1 
ATOM   866  N NZ  . LYS A 1 154 ? -12.45599 -11.61842 -35.40835 1.000 47.29990 ? 749 LYS A NZ  1 
ATOM   867  N N   . PHE A 1 155 ? -16.03259 -15.12922 -29.44869 1.000 40.90908 ? 750 PHE A N   1 
ATOM   868  C CA  . PHE A 1 155 ? -16.03124 -15.83430 -28.17666 1.000 40.38336 ? 750 PHE A CA  1 
ATOM   869  C C   . PHE A 1 155 ? -16.59362 -17.23472 -28.37139 1.000 42.76189 ? 750 PHE A C   1 
ATOM   870  O O   . PHE A 1 155 ? -17.68784 -17.39346 -28.91999 1.000 44.51122 ? 750 PHE A O   1 
ATOM   871  C CB  . PHE A 1 155 ? -16.86152 -15.07057 -27.15141 1.000 40.53015 ? 750 PHE A CB  1 
ATOM   872  C CG  . PHE A 1 155 ? -16.91605 -15.73061 -25.80506 1.000 44.88767 ? 750 PHE A CG  1 
ATOM   873  C CD1 . PHE A 1 155 ? -17.78195 -16.79098 -25.56964 1.000 44.30478 ? 750 PHE A CD1 1 
ATOM   874  C CD2 . PHE A 1 155 ? -16.11336 -15.28931 -24.77529 1.000 45.97633 ? 750 PHE A CD2 1 
ATOM   875  C CE1 . PHE A 1 155 ? -17.83254 -17.40583 -24.33640 1.000 47.56393 ? 750 PHE A CE1 1 
ATOM   876  C CE2 . PHE A 1 155 ? -16.15756 -15.89696 -23.53473 1.000 48.96454 ? 750 PHE A CE2 1 
ATOM   877  C CZ  . PHE A 1 155 ? -17.01968 -16.95676 -23.31164 1.000 49.72330 ? 750 PHE A CZ  1 
ATOM   878  N N   . LYS A 1 156 ? -15.84692 -18.24871 -27.92875 1.000 43.19574 ? 751 LYS A N   1 
ATOM   879  C CA  . LYS A 1 156 ? -16.29815 -19.63952 -27.97989 1.000 42.91750 ? 751 LYS A CA  1 
ATOM   880  C C   . LYS A 1 156 ? -16.15603 -20.23000 -26.59261 1.000 45.76627 ? 751 LYS A C   1 
ATOM   881  O O   . LYS A 1 156 ? -15.05060 -20.25059 -26.04248 1.000 45.06925 ? 751 LYS A O   1 
ATOM   882  C CB  . LYS A 1 156 ? -15.48758 -20.47888 -28.97602 1.000 39.51495 ? 751 LYS A CB  1 
ATOM   883  C CG  . LYS A 1 156 ? -15.75779 -20.19548 -30.42494 1.000 40.01006 ? 751 LYS A CG  1 
ATOM   884  C CD  . LYS A 1 156 ? -17.21915 -20.40587 -30.73625 1.000 43.67979 ? 751 LYS A CD  1 
ATOM   885  C CE  . LYS A 1 156 ? -17.40875 -20.96834 -32.11855 1.000 41.46951 ? 751 LYS A CE  1 
ATOM   886  N NZ  . LYS A 1 156 ? -18.83468 -21.32463 -32.31361 1.000 44.20796 ? 751 LYS A NZ  1 
ATOM   887  N N   . ALA A 1 157 ? -17.25974 -20.71027 -26.02896 1.000 45.28216 ? 752 ALA A N   1 
ATOM   888  C CA  . ALA A 1 157 ? -17.22859 -21.33924 -24.71575 1.000 49.60440 ? 752 ALA A CA  1 
ATOM   889  C C   . ALA A 1 157 ? -16.88952 -22.81683 -24.84337 1.000 51.67559 ? 752 ALA A C   1 
ATOM   890  O O   . ALA A 1 157 ? -17.32505 -23.48943 -25.78211 1.000 55.16279 ? 752 ALA A O   1 
ATOM   891  C CB  . ALA A 1 157 ? -18.56619 -21.17151 -23.99549 1.000 48.59724 ? 752 ALA A CB  1 
ATOM   892  N N   . THR A 1 158 ? -16.09080 -23.30455 -23.90899 1.000 63.07833 ? 753 THR A N   1 
ATOM   893  C CA  . THR A 1 158 ? -15.73745 -24.71258 -23.80992 1.000 63.06733 ? 753 THR A CA  1 
ATOM   894  C C   . THR A 1 158 ? -16.36990 -25.26074 -22.53251 1.000 61.70179 ? 753 THR A C   1 
ATOM   895  O O   . THR A 1 158 ? -15.95900 -24.89175 -21.42872 1.000 60.67056 ? 753 THR A O   1 
ATOM   896  C CB  . THR A 1 158 ? -14.22008 -24.89619 -23.79967 1.000 61.28267 ? 753 THR A CB  1 
ATOM   897  O OG1 . THR A 1 158 ? -13.65309 -24.10718 -22.75019 1.000 58.11412 ? 753 THR A OG1 1 
ATOM   898  C CG2 . THR A 1 158 ? -13.62036 -24.46164 -25.13781 1.000 63.82638 ? 753 THR A CG2 1 
ATOM   899  N N   . GLN A 1 159 ? -17.38579 -26.11784 -22.69319 1.000 65.34286 ? 754 GLN A N   1 
ATOM   900  C CA  . GLN A 1 159 ? -18.06610 -26.79660 -21.59292 1.000 65.92773 ? 754 GLN A CA  1 
ATOM   901  C C   . GLN A 1 159 ? -17.10814 -27.26672 -20.49158 1.000 65.84130 ? 754 GLN A C   1 
ATOM   902  O O   . GLN A 1 159 ? -15.89717 -27.40574 -20.71098 1.000 66.75113 ? 754 GLN A O   1 
ATOM   903  C CB  . GLN A 1 159 ? -18.87591 -27.97274 -22.15632 1.000 68.70791 ? 754 GLN A CB  1 
ATOM   904  N N   . ARG A 1 160 ? -17.63614 -27.50568 -19.29261 1.000 68.51532 ? 755 ARG A N   1 
ATOM   905  C CA  . ARG A 1 160 ? -16.80464 -27.82169 -18.13110 1.000 68.81326 ? 755 ARG A CA  1 
ATOM   906  C C   . ARG A 1 160 ? -16.32274 -29.26769 -18.17030 1.000 63.92479 ? 755 ARG A C   1 
ATOM   907  O O   . ARG A 1 160 ? -16.97493 -30.14557 -18.74357 1.000 66.23754 ? 755 ARG A O   1 
ATOM   908  C CB  . ARG A 1 160 ? -17.57736 -27.57498 -16.83160 1.000 69.52789 ? 755 ARG A CB  1 
ATOM   909  N N   . THR A 1 161 ? -15.17551 -29.51160 -17.53812 1.000 58.24799 ? 756 THR A N   1 
ATOM   910  C CA  . THR A 1 161 ? -14.52711 -30.81558 -17.58614 1.000 58.95276 ? 756 THR A CA  1 
ATOM   911  C C   . THR A 1 161 ? -14.01094 -31.17299 -16.20474 1.000 57.96031 ? 756 THR A C   1 
ATOM   912  O O   . THR A 1 161 ? -13.32316 -30.36891 -15.57293 1.000 58.53611 ? 756 THR A O   1 
ATOM   913  C CB  . THR A 1 161 ? -13.34721 -30.82541 -18.56590 1.000 55.59481 ? 756 THR A CB  1 
ATOM   914  O OG1 . THR A 1 161 ? -12.29169 -30.00711 -18.02979 1.000 54.95678 ? 756 THR A OG1 1 
ATOM   915  C CG2 . THR A 1 161 ? -13.75446 -30.29763 -19.93096 1.000 56.22622 ? 756 THR A CG2 1 
ATOM   916  N N   . GLU A 1 162 ? -14.31096 -32.37983 -15.74817 1.000 58.50694 ? 757 GLU A N   1 
ATOM   917  C CA  . GLU A 1 162 ? -13.73171 -32.87823 -14.51190 1.000 57.52390 ? 757 GLU A CA  1 
ATOM   918  C C   . GLU A 1 162 ? -12.50778 -33.73354 -14.82890 1.000 54.24897 ? 757 GLU A C   1 
ATOM   919  O O   . GLU A 1 162 ? -12.47774 -34.44436 -15.83343 1.000 53.08346 ? 757 GLU A O   1 
ATOM   920  C CB  . GLU A 1 162 ? -14.76779 -33.68015 -13.71589 1.000 59.33786 ? 757 GLU A CB  1 
ATOM   921  N N   . GLY A 1 163 ? -11.48555 -33.64681 -13.97328 1.000 54.75522 ? 758 GLY A N   1 
ATOM   922  C CA  . GLY A 1 163 ? -10.29567 -34.45451 -14.13600 1.000 49.13431 ? 758 GLY A CA  1 
ATOM   923  C C   . GLY A 1 163 ? -9.85471  -35.05822 -12.81612 1.000 52.05907 ? 758 GLY A C   1 
ATOM   924  O O   . GLY A 1 163 ? -10.43993 -34.79647 -11.75773 1.000 53.58527 ? 758 GLY A O   1 
ATOM   925  N N   . VAL A 1 164 ? -8.80814  -35.87922 -12.89405 1.000 49.48704 ? 759 VAL A N   1 
ATOM   926  C CA  . VAL A 1 164 ? -8.17099  -36.42946 -11.69318 1.000 49.77777 ? 759 VAL A CA  1 
ATOM   927  C C   . VAL A 1 164 ? -7.02397  -35.48737 -11.34853 1.000 49.01970 ? 759 VAL A C   1 
ATOM   928  O O   . VAL A 1 164 ? -5.90514  -35.62442 -11.84168 1.000 46.16743 ? 759 VAL A O   1 
ATOM   929  C CB  . VAL A 1 164 ? -7.69372  -37.87224 -11.88883 1.000 49.72253 ? 759 VAL A CB  1 
ATOM   930  C CG1 . VAL A 1 164 ? -7.09498  -38.40941 -10.58442 1.000 46.86533 ? 759 VAL A CG1 1 
ATOM   931  C CG2 . VAL A 1 164 ? -8.82428  -38.78090 -12.36442 1.000 50.65981 ? 759 VAL A CG2 1 
ATOM   932  N N   . SER A 1 165 ? -7.29942  -34.53027 -10.46440 1.000 48.85556 ? 760 SER A N   1 
ATOM   933  C CA  . SER A 1 165 ? -6.30020  -33.55649 -10.06460 1.000 46.18821 ? 760 SER A CA  1 
ATOM   934  C C   . SER A 1 165 ? -5.28234  -34.16864 -9.10596  1.000 46.86128 ? 760 SER A C   1 
ATOM   935  O O   . SER A 1 165 ? -5.50814  -35.21529 -8.49350  1.000 46.33201 ? 760 SER A O   1 
ATOM   936  C CB  . SER A 1 165 ? -6.96659  -32.36901 -9.38566  1.000 46.87126 ? 760 SER A CB  1 
ATOM   937  O OG  . SER A 1 165 ? -7.58515  -32.80586 -8.18774  1.000 47.65937 ? 760 SER A OG  1 
ATOM   938  N N   . THR A 1 166 ? -4.14554  -33.48311 -8.97413  1.000 46.13758 ? 761 THR A N   1 
ATOM   939  C CA  . THR A 1 166 ? -3.19730  -33.79447 -7.91286  1.000 45.64245 ? 761 THR A CA  1 
ATOM   940  C C   . THR A 1 166 ? -3.90199  -33.99828 -6.57845  1.000 46.53587 ? 761 THR A C   1 
ATOM   941  O O   . THR A 1 166 ? -3.63926  -34.97307 -5.86406  1.000 47.71503 ? 761 THR A O   1 
ATOM   942  C CB  . THR A 1 166 ? -2.16967  -32.67352 -7.79645  1.000 47.63960 ? 761 THR A CB  1 
ATOM   943  O OG1 . THR A 1 166 ? -1.53391  -32.47782 -9.06451  1.000 47.87340 ? 761 THR A OG1 1 
ATOM   944  C CG2 . THR A 1 166 ? -1.11533  -33.02165 -6.74687  1.000 46.66612 ? 761 THR A CG2 1 
ATOM   945  N N   . THR A 1 167 ? -4.80720  -33.08781 -6.22464  1.000 43.95673 ? 762 THR A N   1 
ATOM   946  C CA  . THR A 1 167 ? -5.53965  -33.23324 -4.97315  1.000 45.07035 ? 762 THR A CA  1 
ATOM   947  C C   . THR A 1 167 ? -6.27471  -34.56261 -4.92663  1.000 45.89681 ? 762 THR A C   1 
ATOM   948  O O   . THR A 1 167 ? -6.20323  -35.29391 -3.93315  1.000 44.66411 ? 762 THR A O   1 
ATOM   949  C CB  . THR A 1 167 ? -6.52042  -32.07982 -4.80552  1.000 45.54589 ? 762 THR A CB  1 
ATOM   950  O OG1 . THR A 1 167 ? -5.83210  -30.84210 -5.00003  1.000 46.88513 ? 762 THR A OG1 1 
ATOM   951  C CG2 . THR A 1 167 ? -7.12220  -32.09110 -3.40312  1.000 46.45878 ? 762 THR A CG2 1 
ATOM   952  N N   . ASP A 1 168 ? -7.00368  -34.88435 -5.99176  1.000 44.95238 ? 763 ASP A N   1 
ATOM   953  C CA  . ASP A 1 168 ? -7.74142  -36.14166 -6.02295  1.000 46.37690 ? 763 ASP A CA  1 
ATOM   954  C C   . ASP A 1 168 ? -6.80532  -37.32002 -5.79114  1.000 46.04769 ? 763 ASP A C   1 
ATOM   955  O O   . ASP A 1 168 ? -7.15569  -38.27230 -5.08135  1.000 44.50383 ? 763 ASP A O   1 
ATOM   956  C CB  . ASP A 1 168 ? -8.47318  -36.28805 -7.36424  1.000 48.83173 ? 763 ASP A CB  1 
ATOM   957  C CG  . ASP A 1 168 ? -9.48162  -35.16270 -7.62150  1.000 49.22381 ? 763 ASP A CG  1 
ATOM   958  O OD1 . ASP A 1 168 ? -10.02167 -34.59096 -6.65454  1.000 51.73762 ? 763 ASP A OD1 1 
ATOM   959  O OD2 . ASP A 1 168 ? -9.73790  -34.84757 -8.80183  1.000 51.32320 ? 763 ASP A OD2 1 
ATOM   960  N N   . LEU A 1 169 ? -5.59812  -37.25631 -6.37229  1.000 46.90019 ? 764 LEU A N   1 
ATOM   961  C CA  . LEU A 1 169 ? -4.62958  -38.34411 -6.25996  1.000 44.68056 ? 764 LEU A CA  1 
ATOM   962  C C   . LEU A 1 169 ? -4.12173  -38.49868 -4.83029  1.000 43.58039 ? 764 LEU A C   1 
ATOM   963  O O   . LEU A 1 169 ? -4.03585  -39.62330 -4.31646  1.000 40.80205 ? 764 LEU A O   1 
ATOM   964  C CB  . LEU A 1 169 ? -3.46143  -38.09461 -7.20680  1.000 42.41945 ? 764 LEU A CB  1 
ATOM   965  C CG  . LEU A 1 169 ? -3.74376  -38.03801 -8.70943  1.000 49.02212 ? 764 LEU A CG  1 
ATOM   966  C CD1 . LEU A 1 169 ? -2.49469  -37.55434 -9.44465  1.000 46.59381 ? 764 LEU A CD1 1 
ATOM   967  C CD2 . LEU A 1 169 ? -4.20006  -39.38909 -9.26477  1.000 44.48875 ? 764 LEU A CD2 1 
ATOM   968  N N   . ILE A 1 170 ? -3.74713  -37.38462 -4.18973  1.000 42.90003 ? 765 ILE A N   1 
ATOM   969  C CA  . ILE A 1 170 ? -3.35511  -37.40959 -2.78024  1.000 43.26001 ? 765 ILE A CA  1 
ATOM   970  C C   . ILE A 1 170 ? -4.47442  -37.99005 -1.93345  1.000 43.54819 ? 765 ILE A C   1 
ATOM   971  O O   . ILE A 1 170 ? -4.25602  -38.85948 -1.08398  1.000 43.11205 ? 765 ILE A O   1 
ATOM   972  C CB  . ILE A 1 170 ? -2.99441  -35.99505 -2.29242  1.000 44.20475 ? 765 ILE A CB  1 
ATOM   973  C CG1 . ILE A 1 170 ? -2.03124  -35.31198 -3.25325  1.000 45.79928 ? 765 ILE A CG1 1 
ATOM   974  C CG2 . ILE A 1 170 ? -2.39456  -36.05474 -0.90723  1.000 43.38010 ? 765 ILE A CG2 1 
ATOM   975  C CD1 . ILE A 1 170 ? -0.69122  -35.97150 -3.31517  1.000 47.52366 ? 765 ILE A CD1 1 
ATOM   976  N N   . VAL A 1 171 ? -5.68725  -37.47671 -2.11859  1.000 44.21934 ? 766 VAL A N   1 
ATOM   977  C CA  . VAL A 1 171 ? -6.80721  -37.93964 -1.31165  1.000 44.24136 ? 766 VAL A CA  1 
ATOM   978  C C   . VAL A 1 171 ? -7.00783  -39.42953 -1.50280  1.000 43.99150 ? 766 VAL A C   1 
ATOM   979  O O   . VAL A 1 171 ? -7.19025  -40.17593 -0.53493  1.000 43.42113 ? 766 VAL A O   1 
ATOM   980  C CB  . VAL A 1 171 ? -8.07566  -37.14672 -1.66405  1.000 45.67801 ? 766 VAL A CB  1 
ATOM   981  C CG1 . VAL A 1 171 ? -9.27312  -37.73304 -0.95619  1.000 45.21793 ? 766 VAL A CG1 1 
ATOM   982  C CG2 . VAL A 1 171 ? -7.89270  -35.67759 -1.30117  1.000 44.23020 ? 766 VAL A CG2 1 
ATOM   983  N N   . ARG A 1 172 ? -6.95057  -39.89157 -2.75056  1.000 43.40378 ? 767 ARG A N   1 
ATOM   984  C CA  . ARG A 1 172 ? -7.14981  -41.30721 -3.02046  1.000 41.69101 ? 767 ARG A CA  1 
ATOM   985  C C   . ARG A 1 172 ? -6.06532  -42.15567 -2.36595  1.000 41.25046 ? 767 ARG A C   1 
ATOM   986  O O   . ARG A 1 172 ? -6.33985  -43.26260 -1.89344  1.000 40.92847 ? 767 ARG A O   1 
ATOM   987  C CB  . ARG A 1 172 ? -7.18492  -41.52918 -4.53151  1.000 42.98394 ? 767 ARG A CB  1 
ATOM   988  C CG  . ARG A 1 172 ? -7.62527  -42.91531 -4.94002  1.000 43.35747 ? 767 ARG A CG  1 
ATOM   989  C CD  . ARG A 1 172 ? -7.47498  -43.12755 -6.44971  1.000 45.02512 ? 767 ARG A CD  1 
ATOM   990  N NE  . ARG A 1 172 ? -8.38878  -42.29544 -7.22463  1.000 42.85132 ? 767 ARG A NE  1 
ATOM   991  C CZ  . ARG A 1 172 ? -8.43181  -42.27121 -8.54929  1.000 43.63597 ? 767 ARG A CZ  1 
ATOM   992  N NH1 . ARG A 1 172 ? -7.62432  -43.02083 -9.27996  1.000 44.17170 ? 767 ARG A NH1 1 
ATOM   993  N NH2 . ARG A 1 172 ? -9.31560  -41.48626 -9.15725  1.000 44.47052 ? 767 ARG A NH2 1 
ATOM   994  N N   . ILE A 1 173 ? -4.83611  -41.64837 -2.31262  1.000 40.42783 ? 768 ILE A N   1 
ATOM   995  C CA  . ILE A 1 173 ? -3.73948  -42.41163 -1.73489  1.000 41.02026 ? 768 ILE A CA  1 
ATOM   996  C C   . ILE A 1 173 ? -3.88388  -42.47998 -0.22475  1.000 43.77169 ? 768 ILE A C   1 
ATOM   997  O O   . ILE A 1 173 ? -3.74617  -43.55001 0.38091   1.000 43.31109 ? 768 ILE A O   1 
ATOM   998  C CB  . ILE A 1 173 ? -2.39800  -41.78743 -2.15569  1.000 42.14508 ? 768 ILE A CB  1 
ATOM   999  C CG1 . ILE A 1 173 ? -2.20022  -41.95566 -3.66435  1.000 40.48767 ? 768 ILE A CG1 1 
ATOM   1000 C CG2 . ILE A 1 173 ? -1.24415  -42.38063 -1.35820  1.000 41.10150 ? 768 ILE A CG2 1 
ATOM   1001 C CD1 . ILE A 1 173 ? -0.94489  -41.34387 -4.20446  1.000 36.81920 ? 768 ILE A CD1 1 
ATOM   1002 N N   . LEU A 1 174 ? -4.18043  -41.34263 0.40557   1.000 42.90022 ? 769 LEU A N   1 
ATOM   1003 C CA  . LEU A 1 174 ? -4.27840  -41.28853 1.85065   1.000 43.64275 ? 769 LEU A CA  1 
ATOM   1004 C C   . LEU A 1 174 ? -5.51260  -41.99733 2.37867   1.000 44.21648 ? 769 LEU A C   1 
ATOM   1005 O O   . LEU A 1 174 ? -5.50763  -42.41434 3.54144   1.000 48.18201 ? 769 LEU A O   1 
ATOM   1006 C CB  . LEU A 1 174 ? -4.27741  -39.83779 2.31563   1.000 43.94623 ? 769 LEU A CB  1 
ATOM   1007 C CG  . LEU A 1 174 ? -3.05282  -39.04674 1.86353   1.000 43.01117 ? 769 LEU A CG  1 
ATOM   1008 C CD1 . LEU A 1 174 ? -3.19129  -37.59606 2.25814   1.000 43.39655 ? 769 LEU A CD1 1 
ATOM   1009 C CD2 . LEU A 1 174 ? -1.82385  -39.63337 2.50362   1.000 44.01216 ? 769 LEU A CD2 1 
ATOM   1010 N N   . LYS A 1 175 ? -6.57451  -42.13686 1.57587   1.000 42.70407 ? 770 LYS A N   1 
ATOM   1011 C CA  . LYS A 1 175 ? -7.71865  -42.90816 2.05108   1.000 45.62736 ? 770 LYS A CA  1 
ATOM   1012 C C   . LYS A 1 175 ? -7.30128  -44.32005 2.43402   1.000 46.27576 ? 770 LYS A C   1 
ATOM   1013 O O   . LYS A 1 175 ? -7.96144  -44.95968 3.25714   1.000 48.12602 ? 770 LYS A O   1 
ATOM   1014 C CB  . LYS A 1 175 ? -8.81967  -42.94133 0.99192   1.000 42.50306 ? 770 LYS A CB  1 
ATOM   1015 N N   . ASN A 1 176 ? -6.19939  -44.80285 1.86927   1.000 46.82828 ? 771 ASN A N   1 
ATOM   1016 C CA  . ASN A 1 176 ? -5.67289  -46.12456 2.16649   1.000 47.69302 ? 771 ASN A CA  1 
ATOM   1017 C C   . ASN A 1 176 ? -4.99038  -46.21188 3.53256   1.000 48.23658 ? 771 ASN A C   1 
ATOM   1018 O O   . ASN A 1 176 ? -4.84121  -47.31736 4.06625   1.000 48.11439 ? 771 ASN A O   1 
ATOM   1019 C CB  . ASN A 1 176 ? -4.68764  -46.51812 1.06490   1.000 47.19133 ? 771 ASN A CB  1 
ATOM   1020 C CG  . ASN A 1 176 ? -4.69423  -48.00004 0.79124   1.000 54.85518 ? 771 ASN A CG  1 
ATOM   1021 O OD1 . ASN A 1 176 ? -3.69526  -48.69528 1.02717   1.000 57.93439 ? 771 ASN A OD1 1 
ATOM   1022 N ND2 . ASN A 1 176 ? -5.83654  -48.50762 0.31863   1.000 51.71300 ? 771 ASN A ND2 1 
ATOM   1023 N N   . TYR A 1 177 ? -4.55783  -45.08687 4.10335   1.000 45.56369 ? 772 TYR A N   1 
ATOM   1024 C CA  . TYR A 1 177 ? -3.79089  -45.10155 5.33999   1.000 44.96030 ? 772 TYR A CA  1 
ATOM   1025 C C   . TYR A 1 177 ? -4.51154  -44.45883 6.51011   1.000 47.41268 ? 772 TYR A C   1 
ATOM   1026 O O   . TYR A 1 177 ? -4.03181  -44.56676 7.64749   1.000 48.16511 ? 772 TYR A O   1 
ATOM   1027 C CB  . TYR A 1 177 ? -2.43533  -44.40519 5.13879   1.000 45.75134 ? 772 TYR A CB  1 
ATOM   1028 C CG  . TYR A 1 177 ? -1.59957  -45.05819 4.06814   1.000 44.30784 ? 772 TYR A CG  1 
ATOM   1029 C CD1 . TYR A 1 177 ? -0.76589  -46.12142 4.37110   1.000 45.30715 ? 772 TYR A CD1 1 
ATOM   1030 C CD2 . TYR A 1 177 ? -1.66457  -44.62947 2.75218   1.000 45.70740 ? 772 TYR A CD2 1 
ATOM   1031 C CE1 . TYR A 1 177 ? -0.00390  -46.74140 3.39245   1.000 46.85328 ? 772 TYR A CE1 1 
ATOM   1032 C CE2 . TYR A 1 177 ? -0.90504  -45.23880 1.75943   1.000 46.40302 ? 772 TYR A CE2 1 
ATOM   1033 C CZ  . TYR A 1 177 ? -0.07423  -46.29909 2.09181   1.000 48.35992 ? 772 TYR A CZ  1 
ATOM   1034 O OH  . TYR A 1 177 ? 0.68159   -46.92110 1.12191   1.000 50.07053 ? 772 TYR A OH  1 
ATOM   1035 N N   . GLU A 1 178 ? -5.64439  -43.80696 6.28156   1.000 47.57756 ? 773 GLU A N   1 
ATOM   1036 C CA  . GLU A 1 178 ? -6.41143  -43.31656 7.41874   1.000 48.96246 ? 773 GLU A CA  1 
ATOM   1037 C C   . GLU A 1 178 ? -7.78145  -42.86712 6.93842   1.000 51.54226 ? 773 GLU A C   1 
ATOM   1038 O O   . GLU A 1 178 ? -7.94920  -42.46321 5.78581   1.000 54.16407 ? 773 GLU A O   1 
ATOM   1039 C CB  . GLU A 1 178 ? -5.68703  -42.16575 8.12302   1.000 49.44751 ? 773 GLU A CB  1 
ATOM   1040 C CG  . GLU A 1 178 ? -5.36795  -40.99970 7.20791   1.000 49.48388 ? 773 GLU A CG  1 
ATOM   1041 C CD  . GLU A 1 178 ? -5.06672  -39.71376 7.96827   1.000 50.38535 ? 773 GLU A CD  1 
ATOM   1042 O OE1 . GLU A 1 178 ? -4.69885  -39.77950 9.16091   1.000 51.45485 ? 773 GLU A OE1 1 
ATOM   1043 O OE2 . GLU A 1 178 ? -5.21856  -38.62488 7.37284   1.000 51.04239 ? 773 GLU A OE2 1 
ATOM   1044 N N   . ASP A 1 179 ? -8.75254  -42.92812 7.83316   1.000 55.68998 ? 774 ASP A N   1 
ATOM   1045 C CA  . ASP A 1 179 ? -10.10960 -42.54058 7.47830   1.000 58.35990 ? 774 ASP A CA  1 
ATOM   1046 C C   . ASP A 1 179 ? -10.25880 -41.01815 7.40384   1.000 60.73482 ? 774 ASP A C   1 
ATOM   1047 O O   . ASP A 1 179 ? -10.45106 -40.34710 8.41770   1.000 69.21542 ? 774 ASP A O   1 
ATOM   1048 C CB  . ASP A 1 179 ? -11.09443 -43.15029 8.47475   1.000 64.08484 ? 774 ASP A CB  1 
ATOM   1049 C CG  . ASP A 1 179 ? -11.17069 -44.66436 8.34343   1.000 66.73990 ? 774 ASP A CG  1 
ATOM   1050 O OD1 . ASP A 1 179 ? -10.94870 -45.16199 7.21306   1.000 67.08595 ? 774 ASP A OD1 1 
ATOM   1051 O OD2 . ASP A 1 179 ? -11.43502 -45.35480 9.34813   1.000 67.90984 ? 774 ASP A OD2 1 
HETATM 1052 C C1  . BME B 2 .   ? -6.35429  -33.83356 -33.74179 1.000 52.78074 ? 801 BME A C1  1 
HETATM 1053 C C2  . BME B 2 .   ? -5.46017  -35.01271 -34.11754 1.000 58.75694 ? 801 BME A C2  1 
HETATM 1054 O O1  . BME B 2 .   ? -7.70304  -34.28996 -33.75543 1.000 54.31245 ? 801 BME A O1  1 
HETATM 1055 S S2  . BME B 2 .   ? -3.70264  -34.60337 -33.88042 1.000 73.46343 ? 801 BME A S2  1 
HETATM 1056 H H11 . BME B 2 .   ? -6.24266  -33.11629 -34.38518 1.000 63.82584 ? 801 BME A H11 1 
HETATM 1057 H H12 . BME B 2 .   ? -6.12371  -33.51351 -32.85562 1.000 63.82584 ? 801 BME A H12 1 
HETATM 1058 H H21 . BME B 2 .   ? -5.60818  -35.24025 -35.04879 1.000 70.99728 ? 801 BME A H21 1 
HETATM 1059 H H22 . BME B 2 .   ? -5.68503  -35.77325 -33.55904 1.000 70.99728 ? 801 BME A H22 1 
HETATM 1060 H HO1 . BME B 2 .   ? -7.75157  -34.91482 -34.32978 1.000 65.66390 ? 801 BME A HO1 1 
HETATM 1061 H HS2 . BME B 2 .   ? -3.81256  -33.65793 -33.14978 1.000 88.64508 ? 801 BME A HS2 1 
HETATM 1062 C C02 . 9L6 C 3 .   ? -5.64802  -14.76397 -18.26325 1.000 41.42881 ? 802 9L6 A C02 1 
HETATM 1063 C C03 . 9L6 C 3 .   ? -5.93633  -16.11141 -17.67208 1.000 43.88153 ? 802 9L6 A C03 1 
HETATM 1064 C C04 . 9L6 C 3 .   ? -5.55353  -16.29335 -16.21633 1.000 42.08578 ? 802 9L6 A C04 1 
HETATM 1065 C C05 . 9L6 C 3 .   ? -7.00902  -16.17485 -16.59691 1.000 42.60860 ? 802 9L6 A C05 1 
HETATM 1066 N N01 . 9L6 C 3 .   ? -6.49387  -14.57321 -19.44767 1.000 47.31784 ? 802 9L6 A N01 1 
HETATM 1067 O O   . HOH D 4 .   ? 1.45193   -23.17451 -36.06005 1.000 50.85923 ? 901 HOH A O   1 
HETATM 1068 O O   . HOH D 4 .   ? 0.63315   -12.98954 -17.83778 1.000 38.58197 ? 902 HOH A O   1 
HETATM 1069 O O   . HOH D 4 .   ? -9.428    -38.346   7.780     1.000 53.65941 ? 903 HOH A O   1 
HETATM 1070 O O   . HOH D 4 .   ? -22.646   -14.598   -22.077   1.000 50.66936 ? 904 HOH A O   1 
HETATM 1071 O O   . HOH D 4 .   ? -14.64911 -32.77332 -23.41405 1.000 49.61284 ? 905 HOH A O   1 
HETATM 1072 O O   . HOH D 4 .   ? -18.894   -19.890   -34.351   1.000 38.55292 ? 906 HOH A O   1 
HETATM 1073 O O   . HOH D 4 .   ? 10.08040  -31.29626 -22.33956 1.000 40.96907 ? 907 HOH A O   1 
HETATM 1074 O O   . HOH D 4 .   ? -18.37903 -23.22277 -28.10875 1.000 51.62569 ? 908 HOH A O   1 
HETATM 1075 O O   . HOH D 4 .   ? -9.01285  -37.15584 -31.70235 1.000 42.92724 ? 909 HOH A O   1 
HETATM 1076 O O   . HOH D 4 .   ? -3.87196  -13.92710 -22.95902 1.000 39.37736 ? 910 HOH A O   1 
HETATM 1077 O O   . HOH D 4 .   ? -3.61781  -8.90776  -25.08817 1.000 43.64584 ? 911 HOH A O   1 
HETATM 1078 O O   . HOH D 4 .   ? -15.01499 -28.79114 -29.16135 1.000 38.22238 ? 912 HOH A O   1 
HETATM 1079 O O   . HOH D 4 .   ? -16.02760 -6.74624  -22.22818 1.000 64.64212 ? 913 HOH A O   1 
HETATM 1080 O O   . HOH D 4 .   ? -12.58288 -38.93876 -17.67581 1.000 51.07898 ? 914 HOH A O   1 
HETATM 1081 O O   . HOH D 4 .   ? 1.57859   -28.44387 -15.51896 1.000 35.63023 ? 915 HOH A O   1 
HETATM 1082 O O   . HOH D 4 .   ? -11.97646 -36.35677 -24.50199 1.000 46.13049 ? 916 HOH A O   1 
HETATM 1083 O O   . HOH D 4 .   ? -20.14239 -19.84250 -30.56862 1.000 46.55747 ? 917 HOH A O   1 
HETATM 1084 O O   . HOH D 4 .   ? -3.41855  -37.95124 10.56543  1.000 44.53701 ? 918 HOH A O   1 
HETATM 1085 O O   . HOH D 4 .   ? -6.58749  -16.34227 -38.98714 1.000 48.05706 ? 919 HOH A O   1 
HETATM 1086 O O   . HOH D 4 .   ? -16.36258 -5.78728  -29.53843 1.000 44.89076 ? 920 HOH A O   1 
HETATM 1087 O O   . HOH D 4 .   ? -0.23587  -8.72604  -19.38667 1.000 41.69708 ? 921 HOH A O   1 
HETATM 1088 O O   . HOH D 4 .   ? 3.15011   -12.49970 -25.07742 1.000 53.00412 ? 922 HOH A O   1 
HETATM 1089 O O   . HOH D 4 .   ? -7.65061  -28.92639 -4.45164  1.000 47.78795 ? 923 HOH A O   1 
HETATM 1090 O O   . HOH D 4 .   ? 4.18666   -30.82306 -15.15639 1.000 40.70644 ? 924 HOH A O   1 
HETATM 1091 O O   . HOH D 4 .   ? -4.370    -27.508   -11.380   1.000 38.35011 ? 925 HOH A O   1 
HETATM 1092 O O   . HOH D 4 .   ? -1.851    -36.630   -33.267   1.000 69.04252 ? 926 HOH A O   1 
HETATM 1093 O O   . HOH D 4 .   ? -4.80971  -20.14787 -40.53789 1.000 49.94203 ? 927 HOH A O   1 
HETATM 1094 O O   . HOH D 4 .   ? -5.93323  -36.60551 -14.41938 1.000 45.55538 ? 928 HOH A O   1 
HETATM 1095 O O   . HOH D 4 .   ? 3.01223   -11.33826 -19.27049 1.000 46.26225 ? 929 HOH A O   1 
HETATM 1096 O O   . HOH D 4 .   ? -18.78516 -17.21775 -32.94888 1.000 34.67028 ? 930 HOH A O   1 
HETATM 1097 O O   . HOH D 4 .   ? 1.09085   -26.96529 -17.70313 1.000 33.83312 ? 931 HOH A O   1 
HETATM 1098 O O   . HOH D 4 .   ? 6.218     -19.904   -29.569   1.000 43.41242 ? 932 HOH A O   1 
HETATM 1099 O O   . HOH D 4 .   ? -10.90208 -31.98780 -37.19668 1.000 54.95015 ? 933 HOH A O   1 
HETATM 1100 O O   . HOH D 4 .   ? 11.65038  -28.28362 -13.23107 1.000 52.18816 ? 934 HOH A O   1 
HETATM 1101 O O   . HOH D 4 .   ? -2.23249  -22.36357 -8.80631  1.000 44.41626 ? 935 HOH A O   1 
HETATM 1102 O O   . HOH D 4 .   ? -2.93537  -30.53429 -32.81219 1.000 40.64063 ? 936 HOH A O   1 
HETATM 1103 O O   . HOH D 4 .   ? -10.38200 -18.79291 -41.68228 1.000 49.54339 ? 937 HOH A O   1 
HETATM 1104 O O   . HOH D 4 .   ? 11.86370  -23.64851 -14.02479 1.000 42.01504 ? 938 HOH A O   1 
HETATM 1105 O O   . HOH D 4 .   ? -12.98871 -35.40910 -10.51549 1.000 58.72507 ? 939 HOH A O   1 
HETATM 1106 O O   . HOH D 4 .   ? -3.05288  -20.42609 -9.29130  1.000 46.62414 ? 940 HOH A O   1 
HETATM 1107 O O   . HOH D 4 .   ? -16.172   -8.923    -35.661   1.000 37.88382 ? 941 HOH A O   1 
HETATM 1108 O O   . HOH D 4 .   ? 10.89407  -26.96225 -24.24278 1.000 43.33774 ? 942 HOH A O   1 
HETATM 1109 O O   . HOH D 4 .   ? 6.89247   -13.29086 -14.05524 1.000 49.56141 ? 943 HOH A O   1 
HETATM 1110 O O   . HOH D 4 .   ? -12.30328 -25.32147 -40.23160 1.000 46.24515 ? 944 HOH A O   1 
HETATM 1111 O O   . HOH D 4 .   ? -1.44854  -17.20740 -36.45860 1.000 56.95304 ? 945 HOH A O   1 
HETATM 1112 O O   . HOH D 4 .   ? -9.81007  -29.74783 -35.26834 1.000 39.08338 ? 946 HOH A O   1 
HETATM 1113 O O   . HOH D 4 .   ? -1.56981  -25.83608 -36.92529 1.000 45.72544 ? 947 HOH A O   1 
HETATM 1114 O O   . HOH D 4 .   ? 9.38781   -24.07228 -21.15005 1.000 35.36748 ? 948 HOH A O   1 
HETATM 1115 O O   . HOH D 4 .   ? 6.91796   -14.96054 -15.72099 1.000 44.36380 ? 949 HOH A O   1 
HETATM 1116 O O   . HOH D 4 .   ? -0.20165  -33.26710 -32.55569 1.000 46.79249 ? 950 HOH A O   1 
HETATM 1117 O O   . HOH D 4 .   ? -3.22411  -6.37984  -21.82001 1.000 45.36582 ? 951 HOH A O   1 
HETATM 1118 O O   . HOH D 4 .   ? -2.97506  -14.73861 -2.15682  1.000 58.01392 ? 952 HOH A O   1 
HETATM 1119 O O   . HOH D 4 .   ? -18.45249 -15.50994 -19.90897 1.000 52.23650 ? 953 HOH A O   1 
HETATM 1120 O O   . HOH D 4 .   ? -2.03172  -4.97880  -33.52216 1.000 49.34011 ? 954 HOH A O   1 
HETATM 1121 O O   . HOH D 4 .   ? 3.43576   -10.29215 -8.00713  1.000 55.79717 ? 955 HOH A O   1 
HETATM 1122 O O   . HOH D 4 .   ? 7.16640   -21.63916 -7.87381  1.000 50.24238 ? 956 HOH A O   1 
HETATM 1123 O O   . HOH D 4 .   ? -7.36380  -29.26698 -36.84880 1.000 42.04046 ? 957 HOH A O   1 
HETATM 1124 O O   . HOH D 4 .   ? -2.46860  -7.61748  -19.44134 1.000 48.17356 ? 958 HOH A O   1 
HETATM 1125 O O   . HOH D 4 .   ? -10.92865 -40.85092 -6.14489  1.000 50.94281 ? 959 HOH A O   1 
HETATM 1126 O O   . HOH D 4 .   ? -5.75774  -22.50304 -16.02248 1.000 52.72899 ? 960 HOH A O   1 
HETATM 1127 O O   . HOH D 4 .   ? -4.32288  -30.68511 -36.79149 1.000 53.83152 ? 961 HOH A O   1 
HETATM 1128 O O   . HOH D 4 .   ? -1.96669  -28.64370 -36.71046 1.000 64.43734 ? 962 HOH A O   1 
HETATM 1129 O O   . HOH D 4 .   ? -4.63161  -43.76998 10.84624  1.000 46.22491 ? 963 HOH A O   1 
HETATM 1130 O O   . HOH D 4 .   ? -16.83266 -18.57566 -16.12012 1.000 67.94118 ? 964 HOH A O   1 
HETATM 1131 O O   . HOH D 4 .   ? -3.46221  -11.86623 -25.01832 1.000 44.78885 ? 965 HOH A O   1 
HETATM 1132 O O   . HOH D 4 .   ? -1.44069  -7.10287  -25.30912 1.000 50.80616 ? 966 HOH A O   1 
HETATM 1133 O O   . HOH D 4 .   ? -0.13620  -4.29510  -32.58402 1.000 53.03547 ? 967 HOH A O   1 
HETATM 1134 O O   . HOH D 4 .   ? -15.32779 -31.41185 -29.03946 1.000 47.78652 ? 968 HOH A O   1 
HETATM 1135 O O   . HOH D 4 .   ? -16.76623 -20.78515 -14.61777 1.000 61.14386 ? 969 HOH A O   1 
HETATM 1136 O O   . HOH D 4 .   ? 12.55958  -25.58238 -15.68049 1.000 46.67472 ? 970 HOH A O   1 
HETATM 1137 O O   . HOH D 4 .   ? -15.67259 -18.00456 -14.67853 1.000 69.95159 ? 971 HOH A O   1 
HETATM 1138 O O   . HOH D 4 .   ? 7.60774   -13.45493 -17.28087 1.000 59.86228 ? 972 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . LYS A 39  ? 0.94318 0.97838 0.48765 -0.04687 -0.16150 0.12259  616 LYS A N   
2    C CA  . LYS A 39  ? 0.88877 0.92221 0.48299 -0.04241 -0.18535 0.11085  616 LYS A CA  
3    C C   . LYS A 39  ? 0.82411 0.85444 0.47241 -0.03676 -0.16057 0.10032  616 LYS A C   
4    O O   . LYS A 39  ? 0.79280 0.82214 0.49697 -0.02942 -0.16728 0.08656  616 LYS A O   
5    C CB  . LYS A 39  ? 0.91009 0.95055 0.48144 -0.04303 -0.20001 0.07645  616 LYS A CB  
6    C CG  . LYS A 39  ? 0.89782 0.93750 0.52594 -0.04065 -0.22947 0.06714  616 LYS A CG  
7    C CD  . LYS A 39  ? 0.91566 0.95762 0.52618 -0.04356 -0.23919 0.02845  616 LYS A CD  
8    C CE  . LYS A 39  ? 0.88246 0.93121 0.42268 -0.04470 -0.23900 0.01893  616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.00532 1.05571 0.52839 -0.04633 -0.24829 -0.02262 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.79979 0.83033 0.43861 -0.03907 -0.12907 0.10599  617 ASN A N   
11   C CA  . ASN A 40  ? 0.75641 0.78431 0.44655 -0.03210 -0.10395 0.09320  617 ASN A CA  
12   C C   . ASN A 40  ? 0.73063 0.74535 0.47404 -0.02673 -0.10913 0.11517  617 ASN A C   
13   O O   . ASN A 40  ? 0.78336 0.78867 0.51876 -0.03079 -0.11717 0.14509  617 ASN A O   
14   C CB  . ASN A 40  ? 0.75366 0.79035 0.41959 -0.03665 -0.07031 0.08805  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.71135 0.74795 0.42364 -0.02916 -0.04905 0.06843  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.73499 0.77263 0.46302 -0.02291 -0.04962 0.04205  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.67520 0.70875 0.41046 -0.03072 -0.03273 0.08216  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.66585 0.67873 0.46275 -0.01754 -0.10367 0.09979  618 VAL A N   
19   C CA  . VAL A 41  ? 0.61555 0.61793 0.46545 -0.00926 -0.10719 0.11183  618 VAL A CA  
20   C C   . VAL A 41  ? 0.53911 0.53788 0.40900 -0.00702 -0.07944 0.10145  618 VAL A C   
21   O O   . VAL A 41  ? 0.55351 0.56024 0.42786 -0.00559 -0.06523 0.07924  618 VAL A O   
22   C CB  . VAL A 41  ? 0.57716 0.58618 0.47209 -0.00081 -0.12448 0.10303  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.51038 0.51312 0.46131 0.01036  -0.12040 0.10834  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.61449 0.62803 0.49400 -0.00354 -0.15769 0.11565  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.51241 0.49737 0.39374 -0.00750 -0.07421 0.11783  619 VAL A N   
26   C CA  . VAL A 42  ? 0.51662 0.49746 0.41559 -0.00680 -0.05212 0.10825  619 VAL A CA  
27   C C   . VAL A 42  ? 0.49154 0.46555 0.43764 0.00547  -0.05263 0.09916  619 VAL A C   
28   O O   . VAL A 42  ? 0.46905 0.43044 0.44009 0.01224  -0.06523 0.11069  619 VAL A O   
29   C CB  . VAL A 42  ? 0.51424 0.48329 0.40192 -0.01643 -0.04603 0.12813  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.51243 0.48097 0.41761 -0.01742 -0.02621 0.11524  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.59302 0.57372 0.43114 -0.02922 -0.04370 0.14095  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.46920 0.45172 0.42724 0.00892  -0.03814 0.07892  620 ILE A N   
33   C CA  . ILE A 43  ? 0.44690 0.42848 0.44173 0.01934  -0.03352 0.06853  620 ILE A CA  
34   C C   . ILE A 43  ? 0.45899 0.43262 0.45524 0.01859  -0.01756 0.06083  620 ILE A C   
35   O O   . ILE A 43  ? 0.45665 0.43602 0.43454 0.01170  -0.00737 0.05543  620 ILE A O   
36   C CB  . ILE A 43  ? 0.42919 0.42736 0.43534 0.02171  -0.03175 0.05486  620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.43570 0.44249 0.43691 0.01919  -0.05102 0.05969  620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.43780 0.43976 0.48030 0.03134  -0.02447 0.04809  620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.46653 0.47469 0.49936 0.02677  -0.06735 0.07061  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.44511 0.40660 0.46493 0.02658  -0.01631 0.05820  621 TYR A N   
41   C CA  . TYR A 44  ? 0.44071 0.39270 0.46054 0.02578  -0.00517 0.04835  621 TYR A CA  
42   C C   . TYR A 44  ? 0.44892 0.40731 0.48525 0.03614  0.00415  0.03251  621 TYR A C   
43   O O   . TYR A 44  ? 0.43960 0.39976 0.49994 0.04691  0.00197  0.03083  621 TYR A O   
44   C CB  . TYR A 44  ? 0.44129 0.36813 0.46806 0.02422  -0.01222 0.05702  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.47161 0.38608 0.49954 0.02201  -0.00520 0.04465  621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.47111 0.39208 0.48382 0.00958  0.00055  0.04459  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.47322 0.37079 0.51894 0.03287  -0.00529 0.03126  621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.46348 0.37448 0.47904 0.00633  0.00254  0.03323  621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.50038 0.38497 0.54237 0.03004  -0.00209 0.01708  621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.48819 0.37936 0.51528 0.01584  -0.00004 0.01914  621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.50137 0.38056 0.52668 0.01193  -0.00120 0.00504  621 TYR A OH  
52   N N   . ALA A 45  ? 0.42751 0.39227 0.45203 0.03307  0.01477  0.02231  622 ALA A N   
53   C CA  . ALA A 45  ? 0.45521 0.42541 0.48589 0.04060  0.02531  0.00952  622 ALA A CA  
54   C C   . ALA A 45  ? 0.48505 0.44452 0.50005 0.03707  0.02884  0.00028  622 ALA A C   
55   O O   . ALA A 45  ? 0.48240 0.44327 0.48477 0.02772  0.02687  0.00344  622 ALA A O   
56   C CB  . ALA A 45  ? 0.40234 0.39260 0.43285 0.03915  0.03146  0.00946  622 ALA A CB  
57   N N   . ASP A 46  ? 0.48243 0.43252 0.49971 0.04492  0.03333  -0.01274 623 ASP A N   
58   C CA  . ASP A 46  ? 0.50817 0.44736 0.50773 0.04082  0.03299  -0.02405 623 ASP A CA  
59   C C   . ASP A 46  ? 0.49036 0.44029 0.47477 0.04679  0.04460  -0.03643 623 ASP A C   
60   O O   . ASP A 46  ? 0.48346 0.44569 0.47719 0.05606  0.05560  -0.03908 623 ASP A O   
61   C CB  . ASP A 46  ? 0.50226 0.41303 0.50988 0.04182  0.02430  -0.03137 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.55513 0.45595 0.57918 0.05775  0.02853  -0.04377 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.59864 0.51933 0.62627 0.06769  0.04135  -0.04874 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.58575 0.45875 0.62331 0.06030  0.01917  -0.04834 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.50648 0.45464 0.46800 0.04054  0.04190  -0.04222 624 GLY A N   
66   C CA  . GLY A 47  ? 0.49518 0.45241 0.43296 0.04451  0.05147  -0.05169 624 GLY A CA  
67   C C   . GLY A 47  ? 0.51866 0.47111 0.43156 0.03602  0.04096  -0.05581 624 GLY A C   
68   O O   . GLY A 47  ? 0.46335 0.40842 0.38466 0.02731  0.02779  -0.05199 624 GLY A O   
69   N N   . VAL A 48  ? 0.50901 0.46820 0.39137 0.03815  0.04681  -0.06294 625 VAL A N   
70   C CA  . VAL A 48  ? 0.51724 0.47431 0.37353 0.03021  0.03310  -0.06507 625 VAL A CA  
71   C C   . VAL A 48  ? 0.49757 0.46981 0.36041 0.02375  0.02764  -0.04357 625 VAL A C   
72   O O   . VAL A 48  ? 0.45576 0.42769 0.32493 0.01661  0.01202  -0.03966 625 VAL A O   
73   C CB  . VAL A 48  ? 0.54530 0.50346 0.35884 0.03468  0.04001  -0.07994 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.56168 0.51734 0.34439 0.02595  0.02073  -0.08171 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.55464 0.49571 0.36743 0.04433  0.04661  -0.10613 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.47347 0.45929 0.34127 0.02639  0.03992  -0.02993 626 TYR A N   
77   C CA  . TYR A 49  ? 0.51071 0.50611 0.38657 0.02198  0.03463  -0.01111 626 TYR A CA  
78   C C   . TYR A 49  ? 0.51590 0.51211 0.36625 0.01765  0.02061  -0.00695 626 TYR A C   
79   O O   . TYR A 49  ? 0.52706 0.52539 0.39236 0.01444  0.00622  0.00070  626 TYR A O   
80   C CB  . TYR A 49  ? 0.46601 0.46092 0.37498 0.01992  0.02835  -0.00665 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.47909 0.47279 0.40840 0.02332  0.03771  -0.00830 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.44026 0.44228 0.38071 0.02548  0.04684  -0.00009 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.48322 0.46695 0.42274 0.02310  0.03467  -0.01593 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.44287 0.44568 0.40338 0.02844  0.05097  -0.00090 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.44410 0.42617 0.40103 0.02641  0.03926  -0.01405 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.45503 0.44776 0.42181 0.02963  0.04651  -0.00734 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.48778 0.48060 0.47294 0.03279  0.04693  -0.00502 626 TYR A OH  
88   N N   . ASP A 50  ? 0.52454 0.52092 0.33584 0.01837  0.02459  -0.01275 627 ASP A N   
89   C CA  . ASP A 50  ? 0.53782 0.53624 0.31622 0.01389  0.01011  -0.00511 627 ASP A CA  
90   C C   . ASP A 50  ? 0.53935 0.54654 0.31681 0.01200  0.01422  0.02121  627 ASP A C   
91   O O   . ASP A 50  ? 0.54598 0.56010 0.32526 0.01311  0.03408  0.02826  627 ASP A O   
92   C CB  . ASP A 50  ? 0.56190 0.55713 0.28941 0.01490  0.01356  -0.02246 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.61506 0.60686 0.30986 0.00894  -0.01214 -0.02401 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.63163 0.62519 0.35233 0.00492  -0.03266 -0.01194 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.65731 0.64627 0.30117 0.00878  -0.01268 -0.03851 627 ASP A OD2 
96   N N   . MET A 51  ? 0.56847 0.57536 0.34833 0.00886  -0.00593 0.03674  628 MET A N   
97   C CA  . MET A 51  ? 0.56520 0.57417 0.34484 0.00643  -0.00757 0.06444  628 MET A CA  
98   C C   . MET A 51  ? 0.53193 0.54202 0.34615 0.00732  0.01007  0.07199  628 MET A C   
99   O O   . MET A 51  ? 0.52156 0.53677 0.32538 0.00368  0.02506  0.08577  628 MET A O   
100  C CB  . MET A 51  ? 0.60656 0.61974 0.32927 0.00181  -0.00442 0.07558  628 MET A CB  
101  C CG  . MET A 51  ? 0.64136 0.65240 0.32475 -0.00021 -0.02771 0.06835  628 MET A CG  
102  S SD  . MET A 51  ? 0.73596 0.75319 0.33824 -0.00608 -0.02319 0.07949  628 MET A SD  
103  C CE  . MET A 51  ? 0.70002 0.72634 0.29023 -0.00167 0.01749  0.05646  628 MET A CE  
104  N N   . LEU A 52  ? 0.52566 0.53268 0.38161 0.01099  0.00758  0.06294  629 LEU A N   
105  C CA  . LEU A 52  ? 0.50381 0.51125 0.39050 0.01173  0.02095  0.06366  629 LEU A CA  
106  C C   . LEU A 52  ? 0.51389 0.51825 0.41005 0.00726  0.02158  0.08692  629 LEU A C   
107  O O   . LEU A 52  ? 0.51426 0.51089 0.41247 0.00658  0.00607  0.10222  629 LEU A O   
108  C CB  . LEU A 52  ? 0.50744 0.51186 0.42892 0.01566  0.01442  0.05256  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.47760 0.48257 0.42318 0.01650  0.02532  0.04675  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.49276 0.50083 0.43188 0.01826  0.03359  0.03155  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.48107 0.48230 0.45555 0.01947  0.01762  0.04278  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.50773 0.51780 0.41509 0.00380  0.03782  0.09086  630 HIS A N   
113  C CA  . HIS A 53  ? 0.52262 0.52866 0.44559 -0.00368 0.03853  0.11419  630 HIS A CA  
114  C C   . HIS A 53  ? 0.49992 0.50889 0.46019 -0.00576 0.04701  0.10892  630 HIS A C   
115  O O   . HIS A 53  ? 0.50199 0.51517 0.47344 -0.00027 0.05006  0.08906  630 HIS A O   
116  C CB  . HIS A 53  ? 0.56419 0.58022 0.45174 -0.01137 0.04958  0.13431  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.58218 0.61935 0.45489 -0.01105 0.07429  0.12361  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.57291 0.62221 0.48000 -0.01251 0.08918  0.12004  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.60658 0.65565 0.43609 -0.00837 0.08617  0.11434  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.58641 0.65597 0.47746 -0.00915 0.11043  0.10970  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.61795 0.68641 0.45990 -0.00623 0.11013  0.10445  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.50527 0.51071 0.48599 -0.01511 0.04797  0.12885  631 LEU A N   
123  C CA  . LEU A 54  ? 0.50029 0.50689 0.52060 -0.01947 0.05023  0.12503  631 LEU A CA  
124  C C   . LEU A 54  ? 0.50134 0.53081 0.52570 -0.01722 0.06673  0.11172  631 LEU A C   
125  O O   . LEU A 54  ? 0.48773 0.51806 0.53763 -0.01505 0.06273  0.09800  631 LEU A O   
126  C CB  . LEU A 54  ? 0.50967 0.51192 0.55083 -0.03359 0.05073  0.15207  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.52556 0.49858 0.59775 -0.03579 0.02987  0.15577  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.53454 0.50076 0.62762 -0.05239 0.02997  0.18658  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.49145 0.46015 0.59142 -0.03145 0.02297  0.12992  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.48840 0.53687 0.48826 -0.01710 0.08477  0.11553  632 GLY A N   
131  C CA  . GLY A 55  ? 0.48932 0.55867 0.49753 -0.01111 0.10020  0.10036  632 GLY A CA  
132  C C   . GLY A 55  ? 0.49000 0.54960 0.49912 -0.00009 0.09000  0.07664  632 GLY A C   
133  O O   . GLY A 55  ? 0.50102 0.56714 0.53763 0.00278  0.08945  0.06768  632 GLY A O   
134  N N   . HIS A 56  ? 0.50459 0.54937 0.48549 0.00494  0.08014  0.06859  633 HIS A N   
135  C CA  . HIS A 56  ? 0.47273 0.50908 0.45567 0.01248  0.07157  0.05004  633 HIS A CA  
136  C C   . HIS A 56  ? 0.46277 0.49045 0.47136 0.01082  0.05888  0.04842  633 HIS A C   
137  O O   . HIS A 56  ? 0.43905 0.46712 0.45834 0.01432  0.05589  0.03800  633 HIS A O   
138  C CB  . HIS A 56  ? 0.49535 0.52097 0.44972 0.01551  0.06294  0.04332  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.52884 0.55942 0.44887 0.01665  0.07127  0.04145  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.54260 0.57362 0.43719 0.01170  0.06944  0.05594  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.55953 0.59276 0.46344 0.02261  0.07998  0.02538  633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.58045 0.61674 0.43916 0.01382  0.07763  0.04808  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.57204 0.60883 0.43727 0.02111  0.08461  0.02732  633 HIS A NE2 
144  N N   . MET A 57  ? 0.45956 0.47751 0.47613 0.00600  0.05019  0.05811  634 MET A N   
145  C CA  . MET A 57  ? 0.45367 0.46120 0.49007 0.00604  0.03829  0.05097  634 MET A CA  
146  C C   . MET A 57  ? 0.43103 0.44589 0.49202 0.00194  0.03857  0.04923  634 MET A C   
147  O O   . MET A 57  ? 0.40735 0.42043 0.47277 0.00445  0.03148  0.03710  634 MET A O   
148  C CB  . MET A 57  ? 0.44037 0.43245 0.48536 0.00354  0.02824  0.05990  634 MET A CB  
149  C CG  . MET A 57  ? 0.44579 0.43270 0.47301 0.00894  0.02299  0.06159  634 MET A CG  
150  S SD  . MET A 57  ? 0.50430 0.47207 0.54623 0.00743  0.00946  0.07843  634 MET A SD  
151  C CE  . MET A 57  ? 0.49062 0.46205 0.50944 0.01405  0.00249  0.08118  634 MET A CE  
152  N N   . LYS A 58  ? 0.43395 0.46016 0.51111 -0.00520 0.04655  0.06247  635 LYS A N   
153  C CA  . LYS A 58  ? 0.45317 0.49144 0.56210 -0.01010 0.04500  0.06202  635 LYS A CA  
154  C C   . LYS A 58  ? 0.45150 0.50339 0.56016 -0.00180 0.04874  0.05129  635 LYS A C   
155  O O   . LYS A 58  ? 0.41898 0.47405 0.54580 -0.00215 0.03803  0.04519  635 LYS A O   
156  C CB  . LYS A 58  ? 0.41075 0.46472 0.54230 -0.02064 0.05627  0.08103  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.43805 0.47503 0.58086 -0.03193 0.04832  0.09602  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.47724 0.53174 0.62831 -0.04281 0.06517  0.12055  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.52566 0.57065 0.71457 -0.05964 0.05581  0.13771  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.52830 0.58825 0.71977 -0.07285 0.07317  0.16798  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.41746 0.47520 0.50554 0.00578  0.06134  0.04870  636 GLN A N   
162  C CA  . GLN A 59  ? 0.46276 0.52711 0.55369 0.01500  0.06294  0.03866  636 GLN A CA  
163  C C   . GLN A 59  ? 0.42124 0.46958 0.49962 0.01785  0.04787  0.02957  636 GLN A C   
164  O O   . GLN A 59  ? 0.38838 0.43987 0.47920 0.02084  0.04012  0.02668  636 GLN A O   
165  C CB  . GLN A 59  ? 0.51024 0.57819 0.57993 0.02262  0.07815  0.03392  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.61681 0.69467 0.70307 0.03327  0.08385  0.02511  636 GLN A CG  
167  C CD  . GLN A 59  ? 0.71640 0.81043 0.79820 0.03962  0.10606  0.02109  636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.70681 0.80040 0.75891 0.03577  0.11553  0.02404  636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.72270 0.83213 0.83360 0.05033  0.11416  0.01395  636 GLN A NE2 
170  N N   . LEU A 60  ? 0.39270 0.42633 0.44750 0.01692  0.04382  0.02662  637 LEU A N   
171  C CA  . LEU A 60  ? 0.42000 0.44382 0.46317 0.01809  0.03368  0.01930  637 LEU A CA  
172  C C   . LEU A 60  ? 0.41785 0.44086 0.47254 0.01380  0.02177  0.01690  637 LEU A C   
173  O O   . LEU A 60  ? 0.42239 0.44449 0.47035 0.01456  0.01357  0.01295  637 LEU A O   
174  C CB  . LEU A 60  ? 0.43152 0.44640 0.45611 0.01832  0.03381  0.01651  637 LEU A CB  
175  C CG  . LEU A 60  ? 0.42496 0.43880 0.43418 0.02110  0.04026  0.01614  637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.42657 0.43600 0.42629 0.02026  0.03711  0.01675  637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.37283 0.38298 0.37615 0.02336  0.03887  0.01113  637 LEU A CD2 
178  N N   . GLU A 61  ? 0.42232 0.44384 0.49256 0.00821  0.01902  0.01969  638 GLU A N   
179  C CA  . GLU A 61  ? 0.41181 0.43029 0.49496 0.00302  0.00501  0.01422  638 GLU A CA  
180  C C   . GLU A 61  ? 0.40050 0.43284 0.50012 0.00232  -0.00179 0.01655  638 GLU A C   
181  O O   . GLU A 61  ? 0.38724 0.41756 0.47866 0.00166  -0.01569 0.00983  638 GLU A O   
182  C CB  . GLU A 61  ? 0.39945 0.41189 0.50530 -0.00479 0.00223  0.01945  638 GLU A CB  
183  C CG  . GLU A 61  ? 0.42387 0.42819 0.54319 -0.01108 -0.01551 0.00946  638 GLU A CG  
184  C CD  . GLU A 61  ? 0.43430 0.42741 0.58166 -0.02072 -0.02086 0.01536  638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.45802 0.45521 0.61589 -0.02400 -0.00918 0.03262  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.43468 0.41362 0.59199 -0.02589 -0.03755 0.00300  638 GLU A OE2 
187  N N   . GLN A 62  ? 0.35962 0.40813 0.48239 0.00323  0.00782  0.02609  639 GLN A N   
188  C CA  . GLN A 62  ? 0.38776 0.45322 0.53718 0.00484  0.00087  0.02904  639 GLN A CA  
189  C C   . GLN A 62  ? 0.39829 0.45849 0.52793 0.01296  -0.00581 0.02606  639 GLN A C   
190  O O   . GLN A 62  ? 0.36280 0.42711 0.50026 0.01250  -0.02296 0.02684  639 GLN A O   
191  C CB  . GLN A 62  ? 0.41650 0.50393 0.59581 0.00737  0.01790  0.03750  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.45689 0.55643 0.66665 -0.00423 0.02247  0.04666  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.55569 0.68161 0.78777 -0.00157 0.04602  0.05539  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.54740 0.69166 0.79886 0.00864  0.05175  0.05279  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.53795 0.66582 0.76626 -0.00987 0.06037  0.06597  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.39744 0.44802 0.50254 0.01919  0.00535  0.02455  640 ALA A N   
197  C CA  . ALA A 63  ? 0.40507 0.44703 0.49296 0.02398  -0.00190 0.02513  640 ALA A CA  
198  C C   . ALA A 63  ? 0.40912 0.44316 0.47153 0.01803  -0.01609 0.02231  640 ALA A C   
199  O O   . ALA A 63  ? 0.43632 0.47067 0.49399 0.01803  -0.03078 0.02703  640 ALA A O   
200  C CB  . ALA A 63  ? 0.42095 0.45172 0.48885 0.02832  0.01076  0.02299  640 ALA A CB  
201  N N   . LYS A 64  ? 0.41555 0.44307 0.46087 0.01368  -0.01232 0.01434  641 LYS A N   
202  C CA  . LYS A 64  ? 0.41742 0.43929 0.43500 0.00992  -0.02134 0.00685  641 LYS A CA  
203  C C   . LYS A 64  ? 0.46801 0.49418 0.49235 0.00540  -0.04127 0.00452  641 LYS A C   
204  O O   . LYS A 64  ? 0.48389 0.50871 0.48062 0.00331  -0.05297 0.00304  641 LYS A O   
205  C CB  . LYS A 64  ? 0.41234 0.42731 0.42097 0.00924  -0.01311 -0.00429 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.47016 0.48094 0.45270 0.00763  -0.01871 -0.01857 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.45274 0.46743 0.40341 0.00840  -0.01165 -0.01704 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.53641 0.55152 0.45738 0.00746  -0.01430 -0.03362 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.53419 0.55761 0.41901 0.00455  -0.01048 -0.02690 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.41702 0.45021 0.47745 0.00241  -0.04634 0.00551  642 LYS A N   
211  C CA  . LYS A 65  ? 0.43158 0.46956 0.50500 -0.00418 -0.06863 0.00169  642 LYS A CA  
212  C C   . LYS A 65  ? 0.41870 0.47285 0.51895 -0.00192 -0.08142 0.01439  642 LYS A C   
213  O O   . LYS A 65  ? 0.45000 0.51502 0.57948 -0.00777 -0.09962 0.01445  642 LYS A O   
214  C CB  . LYS A 65  ? 0.40649 0.44291 0.51098 -0.01175 -0.06990 -0.00356 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.39265 0.40967 0.47557 -0.01190 -0.06190 -0.01656 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.39064 0.39820 0.50340 -0.02041 -0.06797 -0.02101 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.43273 0.41845 0.52546 -0.01647 -0.06159 -0.03470 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.41461 0.38274 0.53632 -0.02413 -0.07010 -0.03919 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.40753 0.46292 0.50340 0.00660  -0.07451 0.02487  643 LEU A N   
220  C CA  . LEU A 66  ? 0.41474 0.48384 0.54188 0.01160  -0.08880 0.03663  643 LEU A CA  
221  C C   . LEU A 66  ? 0.41917 0.48722 0.52538 0.00695  -0.11818 0.03923  643 LEU A C   
222  O O   . LEU A 66  ? 0.42524 0.50813 0.56523 0.00819  -0.13866 0.04735  643 LEU A O   
223  C CB  . LEU A 66  ? 0.40440 0.46848 0.53301 0.02288  -0.07627 0.04543  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.39610 0.46445 0.54508 0.02819  -0.04981 0.04136  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.40527 0.45952 0.54128 0.03737  -0.03875 0.04379  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.37734 0.47146 0.58274 0.03159  -0.04806 0.04405  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.43727 0.49076 0.48818 0.00198  -0.12076 0.03271  644 PHE A N   
228  C CA  . PHE A 67  ? 0.49478 0.54737 0.51254 -0.00402 -0.14792 0.03285  644 PHE A CA  
229  C C   . PHE A 67  ? 0.52914 0.57134 0.50259 -0.01116 -0.14466 0.01147  644 PHE A C   
230  O O   . PHE A 67  ? 0.53081 0.56567 0.50079 -0.00974 -0.12155 0.00071  644 PHE A O   
231  C CB  . PHE A 67  ? 0.49726 0.54387 0.48421 -0.00058 -0.15442 0.05208  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.48836 0.54044 0.52243 0.00938  -0.15970 0.07097  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.46201 0.50743 0.51501 0.01790  -0.13569 0.07475  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.48592 0.54964 0.54722 0.01127  -0.19031 0.08301  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.42917 0.47722 0.52648 0.02955  -0.13952 0.08722  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.46607 0.53530 0.57782 0.02375  -0.19475 0.09851  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.44344 0.50368 0.57268 0.03360  -0.16788 0.09903  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.50432 0.54584 0.44355 -0.01782 -0.16920 0.00400  645 GLU A N   
239  C CA  . GLU A 68  ? 0.55331 0.58446 0.45273 -0.02273 -0.16733 -0.02236 645 GLU A CA  
240  C C   . GLU A 68  ? 0.59455 0.61974 0.44660 -0.01894 -0.14046 -0.02595 645 GLU A C   
241  O O   . GLU A 68  ? 0.64715 0.66503 0.49240 -0.01712 -0.12375 -0.04650 645 GLU A O   
242  C CB  . GLU A 68  ? 0.56394 0.59586 0.42969 -0.03059 -0.20091 -0.03200 645 GLU A CB  
243  N N   . ASN A 69  ? 0.60637 0.63511 0.43074 -0.01795 -0.13646 -0.00497 646 ASN A N   
244  C CA  . ASN A 69  ? 0.65369 0.68202 0.43808 -0.01706 -0.11075 -0.00418 646 ASN A CA  
245  C C   . ASN A 69  ? 0.59960 0.62701 0.41128 -0.01320 -0.09516 0.01894  646 ASN A C   
246  O O   . ASN A 69  ? 0.62461 0.65094 0.43776 -0.01383 -0.10707 0.04303  646 ASN A O   
247  C CB  . ASN A 69  ? 0.69976 0.73244 0.41728 -0.02338 -0.11977 0.00106  646 ASN A CB  
248  C CG  . ASN A 69  ? 0.76513 0.79776 0.44088 -0.02564 -0.12378 -0.03070 646 ASN A CG  
249  O OD1 . ASN A 69  ? 0.77571 0.80187 0.47538 -0.02188 -0.11795 -0.05716 646 ASN A OD1 
250  N ND2 . ASN A 69  ? 0.82205 0.86012 0.43282 -0.03170 -0.13387 -0.02873 646 ASN A ND2 
251  N N   . THR A 70  ? 0.59744 0.62323 0.43033 -0.00904 -0.07107 0.01136  647 THR A N   
252  C CA  . THR A 70  ? 0.57510 0.59787 0.43269 -0.00595 -0.05786 0.02821  647 THR A CA  
253  C C   . THR A 70  ? 0.59195 0.61762 0.43405 -0.00695 -0.03296 0.02408  647 THR A C   
254  O O   . THR A 70  ? 0.59398 0.62519 0.42057 -0.00633 -0.02225 0.00485  647 THR A O   
255  C CB  . THR A 70  ? 0.51072 0.53136 0.42061 0.00026  -0.05542 0.02573  647 THR A CB  
256  O OG1 . THR A 70  ? 0.48840 0.50907 0.40717 0.00135  -0.04498 0.00657  647 THR A OG1 
257  C CG2 . THR A 70  ? 0.50633 0.53091 0.44469 0.00153  -0.07734 0.03110  647 THR A CG2 
258  N N   . THR A 71  ? 0.54066 0.56250 0.39256 -0.00802 -0.02505 0.04149  648 THR A N   
259  C CA  . THR A 71  ? 0.50751 0.53222 0.36862 -0.00827 -0.00401 0.03855  648 THR A CA  
260  C C   . THR A 71  ? 0.49637 0.51108 0.39681 -0.00278 -0.00405 0.04131  648 THR A C   
261  O O   . THR A 71  ? 0.48688 0.49154 0.39945 -0.00180 -0.01326 0.05559  648 THR A O   
262  C CB  . THR A 71  ? 0.51957 0.54863 0.35688 -0.01743 0.00471  0.05599  648 THR A CB  
263  O OG1 . THR A 71  ? 0.56600 0.60877 0.36092 -0.02194 0.00884  0.05080  648 THR A OG1 
264  C CG2 . THR A 71  ? 0.51116 0.54555 0.36745 -0.01923 0.02315  0.05424  648 THR A CG2 
265  N N   . LEU A 72  ? 0.47355 0.49024 0.39306 0.00179  0.00515  0.02729  649 LEU A N   
266  C CA  . LEU A 72  ? 0.41645 0.42596 0.36412 0.00650  0.00742  0.02823  649 LEU A CA  
267  C C   . LEU A 72  ? 0.42247 0.43060 0.37119 0.00323  0.01789  0.03096  649 LEU A C   
268  O O   . LEU A 72  ? 0.42838 0.44580 0.37511 0.00208  0.02718  0.02318  649 LEU A O   
269  C CB  . LEU A 72  ? 0.39247 0.40448 0.35716 0.01114  0.00939  0.01629  649 LEU A CB  
270  C CG  . LEU A 72  ? 0.42320 0.43143 0.40804 0.01540  0.01510  0.01659  649 LEU A CG  
271  C CD1 . LEU A 72  ? 0.36198 0.36600 0.36122 0.01944  0.01003  0.02362  649 LEU A CD1 
272  C CD2 . LEU A 72  ? 0.38797 0.39944 0.38564 0.01722  0.01772  0.01022  649 LEU A CD2 
273  N N   . ILE A 73  ? 0.42912 0.42529 0.38538 0.00191  0.01463  0.04132  650 ILE A N   
274  C CA  . ILE A 73  ? 0.43125 0.42260 0.39457 -0.00261 0.02049  0.04256  650 ILE A CA  
275  C C   . ILE A 73  ? 0.43536 0.41878 0.41455 0.00463  0.02079  0.03239  650 ILE A C   
276  O O   . ILE A 73  ? 0.44463 0.42030 0.43346 0.01198  0.01651  0.03142  650 ILE A O   
277  C CB  . ILE A 73  ? 0.44888 0.42685 0.41083 -0.01026 0.01507  0.05955  650 ILE A CB  
278  C CG1 . ILE A 73  ? 0.45054 0.44022 0.38847 -0.01943 0.01734  0.07256  650 ILE A CG1 
279  C CG2 . ILE A 73  ? 0.39185 0.36193 0.36738 -0.01649 0.01788  0.05859  650 ILE A CG2 
280  C CD1 . ILE A 73  ? 0.47606 0.45156 0.40980 -0.02934 0.01059  0.09628  650 ILE A CD1 
281  N N   . VAL A 74  ? 0.44634 0.43446 0.42823 0.00309  0.02595  0.02472  651 VAL A N   
282  C CA  . VAL A 74  ? 0.44930 0.43155 0.43636 0.00877  0.02635  0.01523  651 VAL A CA  
283  C C   . VAL A 74  ? 0.45384 0.42547 0.44403 0.00326  0.02316  0.01283  651 VAL A C   
284  O O   . VAL A 74  ? 0.45074 0.43021 0.44429 -0.00538 0.02327  0.01602  651 VAL A O   
285  C CB  . VAL A 74  ? 0.44060 0.43512 0.42592 0.01166  0.03010  0.00932  651 VAL A CB  
286  C CG1 . VAL A 74  ? 0.41851 0.40807 0.40060 0.01522  0.03052  0.00270  651 VAL A CG1 
287  C CG2 . VAL A 74  ? 0.46376 0.46379 0.45056 0.01559  0.03071  0.01030  651 VAL A CG2 
288  N N   . GLY A 75  ? 0.44867 0.40374 0.44073 0.00823  0.02036  0.00557  652 GLY A N   
289  C CA  . GLY A 75  ? 0.46257 0.40231 0.45677 0.00311  0.01418  -0.00152 652 GLY A CA  
290  C C   . GLY A 75  ? 0.48723 0.42948 0.46862 0.00758  0.01489  -0.01604 652 GLY A C   
291  O O   . GLY A 75  ? 0.46110 0.40709 0.43430 0.01729  0.02181  -0.02155 652 GLY A O   
292  N N   . VAL A 76  ? 0.47695 0.41966 0.45721 -0.00079 0.00721  -0.02032 653 VAL A N   
293  C CA  . VAL A 76  ? 0.45605 0.40234 0.41906 0.00078  0.00312  -0.03138 653 VAL A CA  
294  C C   . VAL A 76  ? 0.49717 0.42135 0.45581 -0.00337 -0.00812 -0.04676 653 VAL A C   
295  O O   . VAL A 76  ? 0.48485 0.40333 0.46088 -0.01537 -0.01860 -0.04437 653 VAL A O   
296  C CB  . VAL A 76  ? 0.45230 0.42006 0.42154 -0.00501 -0.00144 -0.02368 653 VAL A CB  
297  C CG1 . VAL A 76  ? 0.44667 0.41715 0.39578 -0.00352 -0.00949 -0.03087 653 VAL A CG1 
298  C CG2 . VAL A 76  ? 0.44043 0.42475 0.41640 -0.00037 0.00861  -0.01238 653 VAL A CG2 
299  N N   . THR A 77  ? 0.46545 0.37790 0.40204 0.00579  -0.00546 -0.06355 654 THR A N   
300  C CA  . THR A 77  ? 0.52667 0.41256 0.45706 0.00429  -0.01603 -0.08410 654 THR A CA  
301  C C   . THR A 77  ? 0.53645 0.42381 0.45877 -0.00807 -0.03438 -0.09050 654 THR A C   
302  O O   . THR A 77  ? 0.55426 0.46428 0.46699 -0.01068 -0.03732 -0.08220 654 THR A O   
303  C CB  . THR A 77  ? 0.56914 0.44737 0.47441 0.01934  -0.00498 -0.10395 654 THR A CB  
304  O OG1 . THR A 77  ? 0.53278 0.43289 0.40649 0.02188  0.00137  -0.10282 654 THR A OG1 
305  C CG2 . THR A 77  ? 0.55582 0.43529 0.48105 0.03136  0.01017  -0.09709 654 THR A CG2 
306  N N   . SER A 78  ? 0.55190 0.41355 0.48221 -0.01599 -0.04958 -0.10498 655 SER A N   
307  C CA  . SER A 78  ? 0.58247 0.44552 0.51104 -0.02981 -0.07136 -0.11213 655 SER A CA  
308  C C   . SER A 78  ? 0.61527 0.47849 0.49590 -0.02358 -0.07727 -0.13246 655 SER A C   
309  O O   . SER A 78  ? 0.60049 0.45530 0.45013 -0.00951 -0.06365 -0.14728 655 SER A O   
310  C CB  . SER A 78  ? 0.61368 0.44610 0.56788 -0.04272 -0.08830 -0.12202 655 SER A CB  
311  O OG  . SER A 78  ? 0.68291 0.48017 0.61682 -0.03311 -0.09027 -0.15045 655 SER A OG  
312  N N   . ASP A 79  ? 0.62565 0.50149 0.50064 -0.03449 -0.09800 -0.13224 656 ASP A N   
313  C CA  . ASP A 79  ? 0.68538 0.56184 0.50804 -0.03092 -0.10788 -0.14884 656 ASP A CA  
314  C C   . ASP A 79  ? 0.70052 0.54228 0.49425 -0.02794 -0.11407 -0.18439 656 ASP A C   
315  O O   . ASP A 79  ? 0.72588 0.56379 0.47131 -0.01529 -0.10183 -0.20141 656 ASP A O   
316  C CB  . ASP A 79  ? 0.68545 0.58093 0.51319 -0.04391 -0.13526 -0.14102 656 ASP A CB  
317  C CG  . ASP A 79  ? 0.68856 0.61830 0.53652 -0.04158 -0.12873 -0.11046 656 ASP A CG  
318  O OD1 . ASP A 79  ? 0.65604 0.59334 0.49481 -0.02971 -0.10474 -0.09837 656 ASP A OD1 
319  O OD2 . ASP A 79  ? 0.71093 0.66014 0.58847 -0.05137 -0.14853 -0.09965 656 ASP A OD2 
320  N N   . ASN A 80  ? 0.68574 0.50178 0.51006 -0.03966 -0.13203 -0.19662 657 ASN A N   
321  C CA  . ASN A 80  ? 0.79074 0.56848 0.58951 -0.03721 -0.14275 -0.23508 657 ASN A CA  
322  C C   . ASN A 80  ? 0.78132 0.54014 0.57102 -0.01672 -0.11593 -0.24967 657 ASN A C   
323  O O   . ASN A 80  ? 0.84366 0.58602 0.59304 -0.00592 -0.11136 -0.28145 657 ASN A O   
324  C CB  . ASN A 80  ? 0.79264 0.54343 0.63516 -0.05659 -0.16991 -0.24233 657 ASN A CB  
325  C CG  . ASN A 80  ? 0.83862 0.60644 0.68430 -0.07619 -0.20207 -0.23998 657 ASN A CG  
326  O OD1 . ASN A 80  ? 0.86248 0.66505 0.68685 -0.07494 -0.20386 -0.22535 657 ASN A OD1 
327  N ND2 . ASN A 80  ? 0.92358 0.67588 0.80355 -0.09352 -0.22059 -0.24565 657 ASN A ND2 
328  N N   . GLU A 81  ? 0.74122 0.50717 0.56885 -0.01085 -0.09636 -0.22559 658 GLU A N   
329  C CA  . GLU A 81  ? 0.75593 0.50832 0.58332 0.00956  -0.07318 -0.23749 658 GLU A CA  
330  C C   . GLU A 81  ? 0.77165 0.55428 0.55859 0.02507  -0.04782 -0.23710 658 GLU A C   
331  O O   . GLU A 81  ? 0.81113 0.58541 0.57503 0.04204  -0.03188 -0.26299 658 GLU A O   
332  C CB  . GLU A 81  ? 0.72239 0.47157 0.60315 0.00942  -0.06540 -0.21066 658 GLU A CB  
333  C CG  . GLU A 81  ? 0.70633 0.41497 0.62555 -0.00165 -0.08543 -0.21566 658 GLU A CG  
334  C CD  . GLU A 81  ? 0.69825 0.40937 0.66371 -0.00796 -0.08144 -0.18059 658 GLU A CD  
335  O OE1 . GLU A 81  ? 0.68508 0.43225 0.65597 -0.01518 -0.07404 -0.15144 658 GLU A OE1 
336  O OE2 . GLU A 81  ? 0.73068 0.40638 0.72545 -0.00520 -0.08644 -0.18255 658 GLU A OE2 
337  N N   . THR A 82  ? 0.70322 0.52124 0.48385 0.01950  -0.04308 -0.20830 659 THR A N   
338  C CA  . THR A 82  ? 0.73268 0.57829 0.47558 0.03014  -0.02126 -0.20390 659 THR A CA  
339  C C   . THR A 82  ? 0.79993 0.64115 0.48014 0.03290  -0.02489 -0.23268 659 THR A C   
340  O O   . THR A 82  ? 0.81618 0.66503 0.46485 0.04715  -0.00129 -0.24770 659 THR A O   
341  C CB  . THR A 82  ? 0.69364 0.57068 0.44417 0.02176  -0.02165 -0.16811 659 THR A CB  
342  O OG1 . THR A 82  ? 0.62727 0.50630 0.43037 0.01829  -0.02020 -0.14654 659 THR A OG1 
343  C CG2 . THR A 82  ? 0.66760 0.57074 0.39170 0.03097  0.00255  -0.15678 659 THR A CG2 
344  N N   . LYS A 83  ? 0.81116 0.64227 0.47245 0.01899  -0.05447 -0.24150 660 LYS A N   
345  C CA  . LYS A 83  ? 0.84253 0.66924 0.44556 0.01748  -0.06043 -0.26690 660 LYS A CA  
346  C C   . LYS A 83  ? 0.88836 0.69192 0.49033 0.02723  -0.04251 -0.29712 660 LYS A C   
347  O O   . LYS A 83  ? 0.89986 0.71193 0.45914 0.03334  -0.02132 -0.30890 660 LYS A O   
348  C CB  . LYS A 83  ? 0.87097 0.68824 0.47262 -0.00168 -0.09847 -0.27147 660 LYS A CB  
349  C CG  . LYS A 83  ? 0.88097 0.72268 0.47915 -0.01223 -0.12065 -0.24309 660 LYS A CG  
350  C CD  . LYS A 83  ? 0.94975 0.78705 0.55060 -0.03094 -0.15707 -0.25152 660 LYS A CD  
351  C CE  . LYS A 83  ? 0.92730 0.79244 0.53046 -0.04048 -0.18120 -0.22295 660 LYS A CE  
352  N NZ  . LYS A 83  ? 0.89348 0.77168 0.56421 -0.04445 -0.18094 -0.19411 660 LYS A NZ  
353  N N   . LEU A 84  ? 0.86586 0.63738 0.51466 0.02773  -0.05159 -0.30865 661 LEU A N   
354  C CA  . LEU A 84  ? 0.91494 0.65761 0.56303 0.03663  -0.04087 -0.33831 661 LEU A CA  
355  C C   . LEU A 84  ? 0.88671 0.64001 0.54230 0.05825  -0.00431 -0.33840 661 LEU A C   
356  O O   . LEU A 84  ? 0.95185 0.70007 0.57827 0.06818  0.01494  -0.36019 661 LEU A O   
357  C CB  . LEU A 84  ? 0.92802 0.63158 0.62761 0.02962  -0.06295 -0.34516 661 LEU A CB  
358  C CG  . LEU A 84  ? 0.94898 0.61709 0.66355 0.04237  -0.05291 -0.37058 661 LEU A CG  
359  C CD1 . LEU A 84  ? 1.03008 0.68469 0.69202 0.04153  -0.05295 -0.40443 661 LEU A CD1 
360  C CD2 . LEU A 84  ? 0.97309 0.60584 0.74661 0.03344  -0.07507 -0.36471 661 LEU A CD2 
361  N N   . PHE A 85  ? 0.86851 0.63814 0.56338 0.06549  0.00564  -0.31421 662 PHE A N   
362  C CA  . PHE A 85  ? 0.85663 0.63745 0.57572 0.08520  0.03614  -0.31141 662 PHE A CA  
363  C C   . PHE A 85  ? 0.85764 0.68261 0.54961 0.09007  0.06361  -0.29535 662 PHE A C   
364  O O   . PHE A 85  ? 0.89312 0.72947 0.58967 0.10470  0.09193  -0.30029 662 PHE A O   
365  C CB  . PHE A 85  ? 0.80825 0.58034 0.59101 0.08944  0.02988  -0.29347 662 PHE A CB  
366  C CG  . PHE A 85  ? 0.81139 0.53795 0.62999 0.08600  0.00858  -0.30403 662 PHE A CG  
367  C CD1 . PHE A 85  ? 0.85176 0.55078 0.66631 0.09481  0.01238  -0.33061 662 PHE A CD1 
368  C CD2 . PHE A 85  ? 0.79619 0.50684 0.65188 0.07257  -0.01497 -0.28547 662 PHE A CD2 
369  C CE1 . PHE A 85  ? 0.85969 0.51580 0.70806 0.09041  -0.00823 -0.33758 662 PHE A CE1 
370  C CE2 . PHE A 85  ? 0.76287 0.43288 0.65244 0.06584  -0.03389 -0.28905 662 PHE A CE2 
371  C CZ  . PHE A 85  ? 0.82437 0.46697 0.71090 0.07489  -0.03128 -0.31461 662 PHE A CZ  
372  N N   . LYS A 86  ? 0.83092 0.68090 0.49864 0.07820  0.05590  -0.27370 663 LYS A N   
373  C CA  . LYS A 86  ? 0.81650 0.70453 0.45302 0.07850  0.08000  -0.25626 663 LYS A CA  
374  C C   . LYS A 86  ? 0.88795 0.77884 0.45746 0.06777  0.07714  -0.26411 663 LYS A C   
375  O O   . LYS A 86  ? 0.94136 0.85392 0.47942 0.06904  0.10229  -0.25727 663 LYS A O   
376  C CB  . LYS A 86  ? 0.80591 0.71945 0.45753 0.07381  0.07591  -0.22194 663 LYS A CB  
377  C CG  . LYS A 86  ? 0.78732 0.70448 0.50239 0.08181  0.08497  -0.20756 663 LYS A CG  
378  C CD  . LYS A 86  ? 0.79870 0.74637 0.52995 0.07425  0.09289  -0.16874 663 LYS A CD  
379  C CE  . LYS A 86  ? 0.83671 0.80927 0.59625 0.08679  0.12227  -0.16386 663 LYS A CE  
380  N NZ  . LYS A 86  ? 0.81333 0.77383 0.63277 0.09377  0.11779  -0.16183 663 LYS A NZ  
381  N N   . GLY A 87  ? 0.89811 0.76682 0.44633 0.05618  0.04675  -0.27778 664 GLY A N   
382  C CA  . GLY A 87  ? 0.92760 0.79574 0.41150 0.04517  0.03950  -0.28822 664 GLY A CA  
383  C C   . GLY A 87  ? 0.91181 0.79871 0.36972 0.02953  0.01511  -0.26286 664 GLY A C   
384  O O   . GLY A 87  ? 0.99911 0.88485 0.40640 0.01783  0.00077  -0.27011 664 GLY A O   
385  N N   . GLN A 88  ? 0.90924 0.81213 0.39980 0.02959  0.00866  -0.23328 665 GLN A N   
386  C CA  . GLN A 88  ? 0.88154 0.80193 0.35122 0.01805  -0.01323 -0.20521 665 GLN A CA  
387  C C   . GLN A 88  ? 0.83195 0.75843 0.34884 0.02171  -0.01794 -0.17828 665 GLN A C   
388  O O   . GLN A 88  ? 0.83080 0.75818 0.39384 0.02969  0.00301  -0.17452 665 GLN A O   
389  C CB  . GLN A 88  ? 0.92845 0.87201 0.34598 0.01322  0.00466  -0.18651 665 GLN A CB  
390  C CG  . GLN A 88  ? 0.88755 0.85146 0.32291 0.02160  0.03969  -0.16257 665 GLN A CG  
391  C CD  . GLN A 88  ? 0.87421 0.83524 0.31877 0.03374  0.07549  -0.18479 665 GLN A CD  
392  O OE1 . GLN A 88  ? 0.98011 0.93206 0.38069 0.03398  0.08836  -0.20434 665 GLN A OE1 
393  N NE2 . GLN A 88  ? 0.87646 0.84493 0.37844 0.04498  0.09116  -0.18075 665 GLN A NE2 
394  N N   . VAL A 89  ? 0.77532 0.70923 0.30068 0.00978  -0.04429 -0.15381 666 VAL A N   
395  C CA  . VAL A 89  ? 0.75769 0.70354 0.34245 0.00648  -0.04525 -0.12113 666 VAL A CA  
396  C C   . VAL A 89  ? 0.75176 0.71040 0.32433 -0.00267 -0.07113 -0.09648 666 VAL A C   
397  O O   . VAL A 89  ? 0.75052 0.70394 0.29115 -0.00960 -0.09850 -0.10742 666 VAL A O   
398  C CB  . VAL A 89  ? 0.73878 0.66984 0.38555 0.00384  -0.05361 -0.12886 666 VAL A CB  
399  C CG1 . VAL A 89  ? 0.76427 0.68359 0.41361 -0.00791 -0.08791 -0.14187 666 VAL A CG1 
400  C CG2 . VAL A 89  ? 0.65510 0.60035 0.35619 0.00322  -0.04670 -0.09962 666 VAL A CG2 
401  N N   . VAL A 90  ? 0.70417 0.67830 0.30264 -0.00221 -0.06474 -0.06390 667 VAL A N   
402  C CA  . VAL A 90  ? 0.70953 0.69466 0.29654 -0.00783 -0.08798 -0.03735 667 VAL A CA  
403  C C   . VAL A 90  ? 0.67080 0.66066 0.32049 -0.01134 -0.11015 -0.02650 667 VAL A C   
404  O O   . VAL A 90  ? 0.63751 0.63142 0.28612 -0.01729 -0.14160 -0.02368 667 VAL A O   
405  C CB  . VAL A 90  ? 0.67569 0.67234 0.24808 -0.00538 -0.06933 -0.00700 667 VAL A CB  
406  C CG1 . VAL A 90  ? 0.69832 0.70137 0.27020 -0.00990 -0.09660 0.02351  667 VAL A CG1 
407  C CG2 . VAL A 90  ? 0.70207 0.70173 0.20683 -0.00395 -0.04818 -0.01536 667 VAL A CG2 
408  N N   . GLN A 91  ? 0.61552 0.60787 0.32012 -0.00753 -0.09404 -0.02059 668 GLN A N   
409  C CA  . GLN A 91  ? 0.60200 0.60346 0.36726 -0.00924 -0.10721 -0.01158 668 GLN A CA  
410  C C   . GLN A 91  ? 0.59701 0.59223 0.39285 -0.01440 -0.10964 -0.03270 668 GLN A C   
411  O O   . GLN A 91  ? 0.59525 0.57597 0.38114 -0.01295 -0.09336 -0.04987 668 GLN A O   
412  C CB  . GLN A 91  ? 0.55701 0.56451 0.35861 -0.00265 -0.08785 0.00615  668 GLN A CB  
413  C CG  . GLN A 91  ? 0.57423 0.58597 0.36360 0.00033  -0.09155 0.03188  668 GLN A CG  
414  C CD  . GLN A 91  ? 0.58738 0.60076 0.41703 0.00600  -0.07565 0.04446  668 GLN A CD  
415  O OE1 . GLN A 91  ? 0.54802 0.55741 0.37938 0.00777  -0.05226 0.03913  668 GLN A OE1 
416  N NE2 . GLN A 91  ? 0.60330 0.62238 0.46824 0.00968  -0.08992 0.05958  668 GLN A NE2 
417  N N   . THR A 92  ? 0.54302 0.55009 0.38077 -0.02058 -0.13030 -0.02975 669 THR A N   
418  C CA  . THR A 92  ? 0.55350 0.55593 0.42488 -0.02893 -0.13275 -0.04483 669 THR A CA  
419  C C   . THR A 92  ? 0.54465 0.54683 0.44948 -0.02515 -0.10588 -0.04047 669 THR A C   
420  O O   . THR A 92  ? 0.48592 0.49478 0.39573 -0.01645 -0.08892 -0.02714 669 THR A O   
421  C CB  . THR A 92  ? 0.54295 0.56530 0.45906 -0.03805 -0.15894 -0.04009 669 THR A CB  
422  O OG1 . THR A 92  ? 0.50160 0.54755 0.46355 -0.03166 -0.15133 -0.02073 669 THR A OG1 
423  C CG2 . THR A 92  ? 0.53994 0.56494 0.42404 -0.04153 -0.19036 -0.04115 669 THR A CG2 
424  N N   . LEU A 93  ? 0.57451 0.56709 0.50202 -0.03308 -0.10440 -0.05116 670 LEU A N   
425  C CA  . LEU A 93  ? 0.51429 0.50737 0.47110 -0.03156 -0.08267 -0.04443 670 LEU A CA  
426  C C   . LEU A 93  ? 0.47097 0.49206 0.46644 -0.02935 -0.07691 -0.02709 670 LEU A C   
427  O O   . LEU A 93  ? 0.44243 0.46666 0.44414 -0.02246 -0.05742 -0.01963 670 LEU A O   
428  C CB  . LEU A 93  ? 0.52167 0.49962 0.49954 -0.04340 -0.08688 -0.05361 670 LEU A CB  
429  C CG  . LEU A 93  ? 0.48372 0.46267 0.49075 -0.04536 -0.06855 -0.04275 670 LEU A CG  
430  C CD1 . LEU A 93  ? 0.50580 0.47059 0.48955 -0.03268 -0.04911 -0.04294 670 LEU A CD1 
431  C CD2 . LEU A 93  ? 0.47413 0.43708 0.50426 -0.06029 -0.07759 -0.04707 670 LEU A CD2 
432  N N   . GLU A 94  ? 0.45141 0.49383 0.47372 -0.03382 -0.09465 -0.02231 671 GLU A N   
433  C CA  . GLU A 94  ? 0.43650 0.50745 0.50116 -0.02902 -0.08795 -0.00977 671 GLU A CA  
434  C C   . GLU A 94  ? 0.44830 0.51955 0.49809 -0.01434 -0.08177 -0.00107 671 GLU A C   
435  O O   . GLU A 94  ? 0.40807 0.48770 0.47649 -0.00698 -0.06484 0.00379  671 GLU A O   
436  C CB  . GLU A 94  ? 0.42229 0.51939 0.52847 -0.03634 -0.10976 -0.00740 671 GLU A CB  
437  C CG  . GLU A 94  ? 0.47667 0.57666 0.61040 -0.05423 -0.11493 -0.01298 671 GLU A CG  
438  C CD  . GLU A 94  ? 0.58734 0.65544 0.68452 -0.06411 -0.13256 -0.02814 671 GLU A CD  
439  O OE1 . GLU A 94  ? 0.56435 0.61491 0.61300 -0.05730 -0.14276 -0.03534 671 GLU A OE1 
440  O OE2 . GLU A 94  ? 0.61027 0.67027 0.72738 -0.07924 -0.13600 -0.03328 671 GLU A OE2 
441  N N   . GLU A 95  ? 0.45363 0.51475 0.46851 -0.01095 -0.09598 0.00138  672 GLU A N   
442  C CA  . GLU A 95  ? 0.43964 0.49718 0.44125 0.00022  -0.09087 0.01357  672 GLU A CA  
443  C C   . GLU A 95  ? 0.43842 0.48098 0.42050 0.00409  -0.06591 0.01194  672 GLU A C   
444  O O   . GLU A 95  ? 0.44017 0.48408 0.43593 0.01152  -0.05542 0.01930  672 GLU A O   
445  C CB  . GLU A 95  ? 0.47892 0.52879 0.44034 0.00014  -0.11056 0.02052  672 GLU A CB  
446  C CG  . GLU A 95  ? 0.50085 0.56702 0.48328 -0.00232 -0.14111 0.02574  672 GLU A CG  
447  C CD  . GLU A 95  ? 0.58206 0.63871 0.51095 -0.00693 -0.16395 0.02777  672 GLU A CD  
448  O OE1 . GLU A 95  ? 0.59257 0.63129 0.46671 -0.00847 -0.15214 0.02178  672 GLU A OE1 
449  O OE2 . GLU A 95  ? 0.58939 0.65877 0.53069 -0.00866 -0.19394 0.03500  672 GLU A OE2 
450  N N   . ARG A 96  ? 0.43343 0.46121 0.38758 -0.00033 -0.05780 0.00098  673 ARG A N   
451  C CA  . ARG A 96  ? 0.42964 0.44671 0.37120 0.00395  -0.03647 0.00000  673 ARG A CA  
452  C C   . ARG A 96  ? 0.41638 0.43966 0.39010 0.00469  -0.02377 0.00030  673 ARG A C   
453  O O   . ARG A 96  ? 0.40160 0.42274 0.37647 0.00980  -0.01115 0.00424  673 ARG A O   
454  C CB  . ARG A 96  ? 0.44614 0.44730 0.35687 0.00183  -0.03177 -0.01360 673 ARG A CB  
455  C CG  . ARG A 96  ? 0.50208 0.49856 0.36976 0.00189  -0.04035 -0.01615 673 ARG A CG  
456  C CD  . ARG A 96  ? 0.50731 0.48867 0.34343 0.00308  -0.03200 -0.03482 673 ARG A CD  
457  N NE  . ARG A 96  ? 0.53222 0.50222 0.36963 -0.00361 -0.04722 -0.05244 673 ARG A NE  
458  C CZ  . ARG A 96  ? 0.54719 0.50189 0.39937 -0.00445 -0.04205 -0.06561 673 ARG A CZ  
459  N NH1 . ARG A 96  ? 0.50847 0.45987 0.37507 0.00199  -0.02319 -0.06269 673 ARG A NH1 
460  N NH2 . ARG A 96  ? 0.58234 0.52331 0.43715 -0.01262 -0.05895 -0.08097 673 ARG A NH2 
461  N N   . THR A 97  ? 0.38515 0.41724 0.38385 -0.00183 -0.02732 -0.00326 674 THR A N   
462  C CA  . THR A 97  ? 0.41939 0.46117 0.44275 -0.00254 -0.01414 -0.00130 674 THR A CA  
463  C C   . THR A 97  ? 0.41772 0.47775 0.46575 0.00495  -0.01169 0.00324  674 THR A C   
464  O O   . THR A 97  ? 0.36873 0.42976 0.41956 0.01017  0.00099  0.00312  674 THR A O   
465  C CB  . THR A 97  ? 0.40347 0.45121 0.44670 -0.01434 -0.01728 -0.00322 674 THR A CB  
466  O OG1 . THR A 97  ? 0.43096 0.45558 0.45369 -0.01988 -0.02305 -0.01040 674 THR A OG1 
467  C CG2 . THR A 97  ? 0.42648 0.48396 0.48516 -0.01707 -0.00140 0.00155  674 THR A CG2 
468  N N   . GLU A 98  ? 0.39850 0.47202 0.46573 0.00658  -0.02579 0.00580  675 GLU A N   
469  C CA  . GLU A 98  ? 0.40565 0.49423 0.50224 0.01693  -0.02467 0.00824  675 GLU A CA  
470  C C   . GLU A 98  ? 0.41243 0.48348 0.49239 0.02592  -0.02050 0.01154  675 GLU A C   
471  O O   . GLU A 98  ? 0.41219 0.48672 0.50914 0.03372  -0.01134 0.00778  675 GLU A O   
472  C CB  . GLU A 98  ? 0.39276 0.49688 0.51523 0.01892  -0.04520 0.01282  675 GLU A CB  
473  C CG  . GLU A 98  ? 0.43623 0.56367 0.60613 0.03006  -0.04170 0.01154  675 GLU A CG  
474  C CD  . GLU A 98  ? 0.45553 0.60122 0.65979 0.03379  -0.06460 0.01753  675 GLU A CD  
475  O OE1 . GLU A 98  ? 0.52088 0.66672 0.71426 0.02357  -0.08319 0.02092  675 GLU A OE1 
476  O OE2 . GLU A 98  ? 0.49179 0.65119 0.73567 0.04777  -0.06577 0.01753  675 GLU A OE2 
477  N N   . THR A 99  ? 0.40261 0.45538 0.44989 0.02420  -0.02644 0.01771  676 THR A N   
478  C CA  . THR A 99  ? 0.43172 0.46973 0.46891 0.02950  -0.02225 0.02413  676 THR A CA  
479  C C   . THR A 99  ? 0.41525 0.44772 0.44846 0.02910  -0.00536 0.01713  676 THR A C   
480  O O   . THR A 99  ? 0.43108 0.45849 0.47628 0.03441  -0.00177 0.01620  676 THR A O   
481  C CB  . THR A 99  ? 0.44898 0.47448 0.45087 0.02578  -0.02842 0.03434  676 THR A CB  
482  O OG1 . THR A 99  ? 0.41963 0.45005 0.42055 0.02581  -0.04801 0.04204  676 THR A OG1 
483  C CG2 . THR A 99  ? 0.42150 0.43429 0.41906 0.02807  -0.02404 0.04531  676 THR A CG2 
484  N N   . LEU A 100 ? 0.42158 0.45292 0.43935 0.02296  0.00236  0.01187  677 LEU A N   
485  C CA  . LEU A 100 ? 0.41427 0.44111 0.42790 0.02254  0.01421  0.00777  677 LEU A CA  
486  C C   . LEU A 100 ? 0.40414 0.44152 0.43596 0.02544  0.02021  0.00105  677 LEU A C   
487  O O   . LEU A 100 ? 0.40329 0.43598 0.43241 0.02740  0.02551  -0.00274 677 LEU A O   
488  C CB  . LEU A 100 ? 0.41539 0.43755 0.41416 0.01686  0.01821  0.00513  677 LEU A CB  
489  C CG  . LEU A 100 ? 0.41815 0.42957 0.39632 0.01704  0.01945  0.00646  677 LEU A CG  
490  C CD1 . LEU A 100 ? 0.45068 0.45470 0.42027 0.01390  0.02044  -0.00004 677 LEU A CD1 
491  C CD2 . LEU A 100 ? 0.40882 0.41737 0.38776 0.01965  0.02660  0.00986  677 LEU A CD2 
492  N N   . LYS A 101 ? 0.39085 0.44492 0.44158 0.02551  0.01963  -0.00159 678 LYS A N   
493  C CA  . LYS A 101 ? 0.39551 0.46537 0.46286 0.02941  0.02956  -0.00978 678 LYS A CA  
494  C C   . LYS A 101 ? 0.41457 0.47762 0.49150 0.04024  0.02924  -0.01692 678 LYS A C   
495  O O   . LYS A 101 ? 0.39431 0.46336 0.47218 0.04411  0.03909  -0.02838 678 LYS A O   
496  C CB  . LYS A 101 ? 0.39425 0.48891 0.49052 0.02872  0.02931  -0.01030 678 LYS A CB  
497  C CG  . LYS A 101 ? 0.39483 0.51116 0.51532 0.03719  0.04148  -0.02097 678 LYS A CG  
498  C CD  . LYS A 101 ? 0.38912 0.53628 0.54856 0.03717  0.04165  -0.02039 678 LYS A CD  
499  C CE  . LYS A 101 ? 0.40484 0.55285 0.59425 0.04875  0.02523  -0.01938 678 LYS A CE  
500  N NZ  . LYS A 101 ? 0.35652 0.54068 0.59343 0.04975  0.02408  -0.01934 678 LYS A NZ  
501  N N   . HIS A 102 ? 0.37800 0.42760 0.46144 0.04487  0.01742  -0.01065 679 HIS A N   
502  C CA  . HIS A 102 ? 0.36884 0.40656 0.46759 0.05448  0.01434  -0.01663 679 HIS A CA  
503  C C   . HIS A 102 ? 0.40288 0.42026 0.48395 0.05049  0.01471  -0.01667 679 HIS A C   
504  O O   . HIS A 102 ? 0.40583 0.40866 0.50009 0.05621  0.01036  -0.02289 679 HIS A O   
505  C CB  . HIS A 102 ? 0.39362 0.42405 0.51210 0.06050  -0.00108 -0.00556 679 HIS A CB  
506  C CG  . HIS A 102 ? 0.39323 0.44615 0.54067 0.06669  -0.00539 -0.00682 679 HIS A CG  
507  N ND1 . HIS A 102 ? 0.36434 0.42672 0.55030 0.08092  -0.00493 -0.01804 679 HIS A ND1 
508  C CD2 . HIS A 102 ? 0.38513 0.45480 0.53332 0.06063  -0.01094 0.00017  679 HIS A CD2 
509  C CE1 . HIS A 102 ? 0.36133 0.44940 0.57458 0.08352  -0.00943 -0.01573 679 HIS A CE1 
510  N NE2 . HIS A 102 ? 0.37642 0.46859 0.56666 0.07001  -0.01444 -0.00443 679 HIS A NE2 
511  N N   . ILE A 103 ? 0.37117 0.38723 0.42815 0.04119  0.01858  -0.01098 680 ILE A N   
512  C CA  . ILE A 103 ? 0.37676 0.37898 0.42441 0.03655  0.01747  -0.00838 680 ILE A CA  
513  C C   . ILE A 103 ? 0.43567 0.43962 0.47651 0.03651  0.02182  -0.02263 680 ILE A C   
514  O O   . ILE A 103 ? 0.41766 0.43457 0.44583 0.03481  0.02908  -0.02683 680 ILE A O   
515  C CB  . ILE A 103 ? 0.40462 0.40770 0.43521 0.02936  0.01976  0.00307  680 ILE A CB  
516  C CG1 . ILE A 103 ? 0.42516 0.42646 0.45267 0.02887  0.01502  0.01565  680 ILE A CG1 
517  C CG2 . ILE A 103 ? 0.39565 0.39175 0.42596 0.02494  0.01983  0.00607  680 ILE A CG2 
518  C CD1 . ILE A 103 ? 0.38456 0.37347 0.42521 0.03043  0.00703  0.02542  680 ILE A CD1 
519  N N   . ARG A 104 ? 0.43077 0.42063 0.47828 0.03666  0.01579  -0.02868 681 ARG A N   
520  C CA  . ARG A 104 ? 0.47206 0.46134 0.51007 0.03759  0.01613  -0.04638 681 ARG A CA  
521  C C   . ARG A 104 ? 0.48027 0.47946 0.49429 0.03057  0.01889  -0.04303 681 ARG A C   
522  O O   . ARG A 104 ? 0.46545 0.47304 0.46052 0.03106  0.02309  -0.05361 681 ARG A O   
523  C CB  . ARG A 104 ? 0.47029 0.43864 0.52243 0.03621  0.00445  -0.05267 681 ARG A CB  
524  C CG  . ARG A 104 ? 0.50985 0.47367 0.55050 0.03849  0.00135  -0.07673 681 ARG A CG  
525  C CD  . ARG A 104 ? 0.54388 0.48625 0.59870 0.03218  -0.01423 -0.08098 681 ARG A CD  
526  N NE  . ARG A 104 ? 0.50480 0.42551 0.59129 0.03566  -0.02118 -0.07868 681 ARG A NE  
527  C CZ  . ARG A 104 ? 0.53357 0.44127 0.63294 0.04767  -0.02248 -0.09769 681 ARG A CZ  
528  N NH1 . ARG A 104 ? 0.55671 0.47483 0.63815 0.05745  -0.01384 -0.12305 681 ARG A NH1 
529  N NH2 . ARG A 104 ? 0.45098 0.33526 0.58299 0.05042  -0.03202 -0.09039 681 ARG A NH2 
530  N N   . TRP A 105 ? 0.44171 0.44052 0.45619 0.02466  0.01671  -0.02793 682 TRP A N   
531  C CA  . TRP A 105 ? 0.43757 0.44186 0.43798 0.01979  0.01489  -0.02361 682 TRP A CA  
532  C C   . TRP A 105 ? 0.45304 0.46686 0.43856 0.01901  0.02235  -0.01751 682 TRP A C   
533  O O   . TRP A 105 ? 0.47170 0.48784 0.44439 0.01570  0.01938  -0.01276 682 TRP A O   
534  C CB  . TRP A 105 ? 0.41674 0.41950 0.43190 0.01606  0.01118  -0.01174 682 TRP A CB  
535  C CG  . TRP A 105 ? 0.43936 0.43337 0.47455 0.01425  0.00674  -0.01112 682 TRP A CG  
536  C CD1 . TRP A 105 ? 0.41239 0.40361 0.45901 0.01376  0.01074  -0.00016 682 TRP A CD1 
537  C CD2 . TRP A 105 ? 0.42735 0.41147 0.47280 0.01127  -0.00435 -0.02107 682 TRP A CD2 
538  N NE1 . TRP A 105 ? 0.41989 0.39965 0.48630 0.00978  0.00348  0.00119  682 TRP A NE1 
539  C CE2 . TRP A 105 ? 0.43447 0.40830 0.50314 0.00822  -0.00650 -0.01322 682 TRP A CE2 
540  C CE3 . TRP A 105 ? 0.45304 0.43463 0.48771 0.00996  -0.01416 -0.03599 682 TRP A CE3 
541  C CZ2 . TRP A 105 ? 0.45963 0.41805 0.54766 0.00336  -0.01874 -0.01991 682 TRP A CZ2 
542  C CZ3 . TRP A 105 ? 0.45419 0.42145 0.50399 0.00611  -0.02690 -0.04666 682 TRP A CZ3 
543  C CH2 . TRP A 105 ? 0.44691 0.40146 0.52642 0.00258  -0.02943 -0.03870 682 TRP A CH2 
544  N N   . VAL A 106 ? 0.41756 0.43592 0.40750 0.02101  0.02931  -0.01579 683 VAL A N   
545  C CA  . VAL A 106 ? 0.42747 0.45240 0.41027 0.01758  0.03447  -0.00859 683 VAL A CA  
546  C C   . VAL A 106 ? 0.46722 0.50441 0.43766 0.01573  0.04145  -0.01326 683 VAL A C   
547  O O   . VAL A 106 ? 0.45587 0.50251 0.43326 0.02018  0.04754  -0.02352 683 VAL A O   
548  C CB  . VAL A 106 ? 0.42145 0.44771 0.41599 0.01859  0.03589  -0.00545 683 VAL A CB  
549  C CG1 . VAL A 106 ? 0.38883 0.42082 0.38114 0.01294  0.03910  -0.00030 683 VAL A CG1 
550  C CG2 . VAL A 106 ? 0.41140 0.42792 0.40887 0.01964  0.03194  -0.00015 683 VAL A CG2 
551  N N   . ASP A 107 ? 0.43225 0.47041 0.38510 0.00975  0.04113  -0.00503 684 ASP A N   
552  C CA  . ASP A 107 ? 0.45644 0.50924 0.39159 0.00559  0.05043  -0.00545 684 ASP A CA  
553  C C   . ASP A 107 ? 0.44350 0.50598 0.38665 -0.00175 0.05863  0.00612  684 ASP A C   
554  O O   . ASP A 107 ? 0.43681 0.51969 0.38050 -0.00403 0.07168  0.00354  684 ASP A O   
555  C CB  . ASP A 107 ? 0.48721 0.53614 0.39376 0.00117  0.04336  0.00054  684 ASP A CB  
556  C CG  . ASP A 107 ? 0.52544 0.56679 0.42664 0.00607  0.03256  -0.01266 684 ASP A CG  
557  O OD1 . ASP A 107 ? 0.52875 0.57244 0.43467 0.01191  0.03652  -0.03062 684 ASP A OD1 
558  O OD2 . ASP A 107 ? 0.52063 0.55316 0.41826 0.00425  0.01852  -0.00543 684 ASP A OD2 
559  N N   . GLU A 108 ? 0.44641 0.49564 0.39894 -0.00570 0.05169  0.01745  685 GLU A N   
560  C CA  . GLU A 108 ? 0.42655 0.48052 0.39027 -0.01501 0.05576  0.02785  685 GLU A CA  
561  C C   . GLU A 108 ? 0.42337 0.46098 0.40357 -0.01344 0.04653  0.02702  685 GLU A C   
562  O O   . GLU A 108 ? 0.42325 0.44530 0.40041 -0.00699 0.03917  0.02429  685 GLU A O   
563  C CB  . GLU A 108 ? 0.43263 0.48233 0.37999 -0.02576 0.05550  0.04607  685 GLU A CB  
564  C CG  . GLU A 108 ? 0.50576 0.56862 0.42333 -0.02761 0.06214  0.04812  685 GLU A CG  
565  C CD  . GLU A 108 ? 0.57492 0.63349 0.47396 -0.04053 0.06072  0.07244  685 GLU A CD  
566  O OE1 . GLU A 108 ? 0.57300 0.61727 0.48954 -0.04834 0.05533  0.08693  685 GLU A OE1 
567  O OE2 . GLU A 108 ? 0.63686 0.70444 0.50213 -0.04352 0.06361  0.07755  685 GLU A OE2 
568  N N   . ILE A 109 ? 0.41523 0.45882 0.41327 -0.01954 0.04712  0.02812  686 ILE A N   
569  C CA  . ILE A 109 ? 0.42485 0.45229 0.43193 -0.01908 0.03701  0.02439  686 ILE A CA  
570  C C   . ILE A 109 ? 0.44041 0.45848 0.45764 -0.03192 0.03273  0.03356  686 ILE A C   
571  O O   . ILE A 109 ? 0.39514 0.43031 0.42473 -0.04298 0.03883  0.04212  686 ILE A O   
572  C CB  . ILE A 109 ? 0.40901 0.44788 0.42868 -0.01439 0.03445  0.01488  686 ILE A CB  
573  C CG1 . ILE A 109 ? 0.38734 0.42878 0.40020 -0.00276 0.03654  0.00834  686 ILE A CG1 
574  C CG2 . ILE A 109 ? 0.42619 0.44845 0.44495 -0.01492 0.02301  0.00989  686 ILE A CG2 
575  C CD1 . ILE A 109 ? 0.41123 0.45945 0.43600 0.00256  0.03083  0.00340  686 ILE A CD1 
576  N N   . ILE A 110 ? 0.42914 0.42029 0.44387 -0.03058 0.02317  0.03157  687 ILE A N   
577  C CA  . ILE A 110 ? 0.43851 0.41217 0.46683 -0.04182 0.01457  0.03531  687 ILE A CA  
578  C C   . ILE A 110 ? 0.45313 0.41881 0.48380 -0.03853 0.00523  0.01817  687 ILE A C   
579  O O   . ILE A 110 ? 0.44027 0.39082 0.45707 -0.02717 0.00279  0.00659  687 ILE A O   
580  C CB  . ILE A 110 ? 0.45986 0.40434 0.48493 -0.04117 0.00867  0.04355  687 ILE A CB  
581  C CG1 . ILE A 110 ? 0.45067 0.40361 0.46729 -0.04663 0.01461  0.06402  687 ILE A CG1 
582  C CG2 . ILE A 110 ? 0.46782 0.38566 0.51049 -0.05184 -0.00327 0.04375  687 ILE A CG2 
583  C CD1 . ILE A 110 ? 0.48170 0.40625 0.49695 -0.04422 0.00508  0.07569  687 ILE A CD1 
584  N N   . SER A 111 ? 0.42562 0.40452 0.47378 -0.04887 0.00003  0.01679  688 SER A N   
585  C CA  . SER A 111 ? 0.43655 0.41373 0.48372 -0.04750 -0.01205 0.00183  688 SER A CA  
586  C C   . SER A 111 ? 0.46327 0.43670 0.53524 -0.06462 -0.02534 0.00183  688 SER A C   
587  O O   . SER A 111 ? 0.44788 0.44865 0.54735 -0.07552 -0.02293 0.01194  688 SER A O   
588  C CB  . SER A 111 ? 0.45530 0.46121 0.50324 -0.04031 -0.00861 0.00068  688 SER A CB  
589  O OG  . SER A 111 ? 0.44768 0.45436 0.49281 -0.04011 -0.02342 -0.00953 688 SER A OG  
590  N N   . PRO A 112 ? 0.46111 0.40244 0.52788 -0.06773 -0.03949 -0.01086 689 PRO A N   
591  C CA  . PRO A 112 ? 0.49726 0.40998 0.53565 -0.05343 -0.04011 -0.02647 689 PRO A CA  
592  C C   . PRO A 112 ? 0.52023 0.41266 0.56172 -0.05005 -0.03285 -0.01687 689 PRO A C   
593  O O   . PRO A 112 ? 0.49298 0.38352 0.55572 -0.06336 -0.03330 0.00051  689 PRO A O   
594  C CB  . PRO A 112 ? 0.52389 0.41153 0.56127 -0.06025 -0.05961 -0.04618 689 PRO A CB  
595  C CG  . PRO A 112 ? 0.49305 0.38056 0.56844 -0.08174 -0.06861 -0.03309 689 PRO A CG  
596  C CD  . PRO A 112 ? 0.46742 0.39938 0.56026 -0.08623 -0.05642 -0.01313 689 PRO A CD  
597  N N   . CYS A 113 ? 0.51115 0.39063 0.53427 -0.03347 -0.02692 -0.02609 690 CYS A N   
598  C CA  . CYS A 113 ? 0.53463 0.39269 0.56467 -0.02734 -0.02448 -0.01883 690 CYS A CA  
599  C C   . CYS A 113 ? 0.52832 0.34824 0.56134 -0.02162 -0.03458 -0.03876 690 CYS A C   
600  O O   . CYS A 113 ? 0.58628 0.39842 0.60673 -0.02061 -0.04105 -0.06149 690 CYS A O   
601  C CB  . CYS A 113 ? 0.49237 0.36617 0.50973 -0.01178 -0.01146 -0.01588 690 CYS A CB  
602  S SG  . CYS A 113 ? 0.53704 0.41296 0.53198 0.00540  -0.00486 -0.04093 690 CYS A SG  
603  N N   . PRO A 114 ? 0.54885 0.34261 0.59783 -0.01710 -0.03780 -0.03197 691 PRO A N   
604  C CA  . PRO A 114 ? 0.60937 0.36440 0.66482 -0.00681 -0.04627 -0.05539 691 PRO A CA  
605  C C   . PRO A 114 ? 0.60605 0.37089 0.64167 0.01536  -0.03337 -0.07866 691 PRO A C   
606  O O   . PRO A 114 ? 0.57001 0.36465 0.59735 0.02349  -0.01964 -0.06938 691 PRO A O   
607  C CB  . PRO A 114 ? 0.59658 0.32506 0.67914 -0.00591 -0.05308 -0.03552 691 PRO A CB  
608  C CG  . PRO A 114 ? 0.60648 0.35605 0.69284 -0.02518 -0.05194 -0.00127 691 PRO A CG  
609  C CD  . PRO A 114 ? 0.55066 0.34539 0.61374 -0.02318 -0.03716 -0.00196 691 PRO A CD  
610  N N   . TRP A 115 ? 0.61637 0.35677 0.64401 0.02411  -0.03733 -0.11012 692 TRP A N   
611  C CA  . TRP A 115 ? 0.63722 0.38973 0.64541 0.04520  -0.02107 -0.13280 692 TRP A CA  
612  C C   . TRP A 115 ? 0.66188 0.41267 0.69706 0.06362  -0.01228 -0.12682 692 TRP A C   
613  O O   . TRP A 115 ? 0.65394 0.43514 0.68384 0.07594  0.00507  -0.12605 692 TRP A O   
614  C CB  . TRP A 115 ? 0.67035 0.39714 0.65895 0.05137  -0.02603 -0.17156 692 TRP A CB  
615  C CG  . TRP A 115 ? 0.67287 0.42223 0.63008 0.06933  -0.00509 -0.19367 692 TRP A CG  
616  C CD1 . TRP A 115 ? 0.65895 0.39954 0.62072 0.09218  0.00845  -0.21933 692 TRP A CD1 
617  C CD2 . TRP A 115 ? 0.64708 0.43358 0.56591 0.06556  0.00608  -0.18967 692 TRP A CD2 
618  N NE1 . TRP A 115 ? 0.65432 0.42794 0.58029 0.10110  0.03003  -0.23092 692 TRP A NE1 
619  C CE2 . TRP A 115 ? 0.68964 0.48937 0.58772 0.08417  0.02751  -0.21110 692 TRP A CE2 
620  C CE3 . TRP A 115 ? 0.66635 0.47616 0.56945 0.04884  -0.00002 -0.16926 692 TRP A CE3 
621  C CZ2 . TRP A 115 ? 0.69446 0.52808 0.55275 0.08370  0.04235  -0.20894 692 TRP A CZ2 
622  C CZ3 . TRP A 115 ? 0.63759 0.47726 0.50440 0.05057  0.01179  -0.16836 692 TRP A CZ3 
623  C CH2 . TRP A 115 ? 0.67028 0.52072 0.51312 0.06644  0.03242  -0.18621 692 TRP A CH2 
624  N N   . VAL A 116 ? 0.64042 0.35594 0.70851 0.06498  -0.02588 -0.12085 693 VAL A N   
625  C CA  . VAL A 116 ? 0.64401 0.35344 0.74509 0.08334  -0.02371 -0.11383 693 VAL A CA  
626  C C   . VAL A 116 ? 0.63616 0.34646 0.75556 0.07076  -0.03494 -0.07337 693 VAL A C   
627  O O   . VAL A 116 ? 0.61502 0.30244 0.73963 0.05209  -0.04988 -0.05730 693 VAL A O   
628  C CB  . VAL A 116 ? 0.65373 0.31659 0.78083 0.09885  -0.03296 -0.13939 693 VAL A CB  
629  C CG1 . VAL A 116 ? 0.62913 0.30167 0.78737 0.12001  -0.02666 -0.13130 693 VAL A CG1 
630  C CG2 . VAL A 116 ? 0.67887 0.33981 0.77292 0.10440  -0.02345 -0.17921 693 VAL A CG2 
631  N N   . VAL A 117 ? 0.61873 0.35583 0.74821 0.08029  -0.02821 -0.05701 694 VAL A N   
632  C CA  . VAL A 117 ? 0.58465 0.32243 0.72647 0.07135  -0.04007 -0.02049 694 VAL A CA  
633  C C   . VAL A 117 ? 0.62515 0.32046 0.80391 0.07999  -0.05834 -0.01264 694 VAL A C   
634  O O   . VAL A 117 ? 0.64585 0.32978 0.85153 0.10306  -0.05708 -0.03235 694 VAL A O   
635  C CB  . VAL A 117 ? 0.59167 0.37049 0.73229 0.07878  -0.03086 -0.00922 694 VAL A CB  
636  C CG1 . VAL A 117 ? 0.57147 0.34906 0.72157 0.07248  -0.04621 0.02556  694 VAL A CG1 
637  C CG2 . VAL A 117 ? 0.55548 0.36992 0.66216 0.06798  -0.01606 -0.01260 694 VAL A CG2 
638  N N   . THR A 118 ? 0.63308 0.30628 0.81486 0.06167  -0.07453 0.01739  695 THR A N   
639  C CA  . THR A 118 ? 0.66374 0.30740 0.87142 0.06484  -0.09159 0.03444  695 THR A CA  
640  C C   . THR A 118 ? 0.65356 0.31233 0.85720 0.05718  -0.10105 0.07508  695 THR A C   
641  O O   . THR A 118 ? 0.64440 0.32676 0.82393 0.04423  -0.09647 0.09262  695 THR A O   
642  C CB  . THR A 118 ? 0.68404 0.29285 0.89367 0.04641  -0.10228 0.03749  695 THR A CB  
643  O OG1 . THR A 118 ? 0.70743 0.32521 0.89784 0.01887  -0.10332 0.06496  695 THR A OG1 
644  C CG2 . THR A 118 ? 0.68993 0.28334 0.89695 0.05175  -0.09630 -0.00422 695 THR A CG2 
645  N N   . PRO A 119 ? 0.69671 0.48768 0.64705 -0.08244 -0.10821 -0.07292 696 PRO A N   
646  C CA  . PRO A 119 ? 0.69399 0.46448 0.65268 -0.06382 -0.09286 -0.04993 696 PRO A CA  
647  C C   . PRO A 119 ? 0.65886 0.42380 0.64786 -0.08520 -0.08411 -0.03111 696 PRO A C   
648  O O   . PRO A 119 ? 0.65140 0.42147 0.64850 -0.07198 -0.07331 -0.00692 696 PRO A O   
649  C CB  . PRO A 119 ? 0.71085 0.41258 0.63549 -0.04314 -0.08445 -0.06435 696 PRO A CB  
650  C CG  . PRO A 119 ? 0.75851 0.43961 0.66353 -0.05883 -0.09108 -0.09416 696 PRO A CG  
651  C CD  . PRO A 119 ? 0.73713 0.47930 0.65006 -0.07520 -0.10581 -0.10063 696 PRO A CD  
652  N N   . GLU A 120 ? 0.69159 0.44513 0.69944 -0.11863 -0.08663 -0.04301 697 GLU A N   
653  C CA  . GLU A 120 ? 0.67161 0.43148 0.72435 -0.14283 -0.07278 -0.02674 697 GLU A CA  
654  C C   . GLU A 120 ? 0.63625 0.47681 0.73393 -0.14471 -0.08252 -0.01128 697 GLU A C   
655  O O   . GLU A 120 ? 0.59126 0.44145 0.71662 -0.14416 -0.06333 0.01146  697 GLU A O   
656  C CB  . GLU A 120 ? 0.72087 0.46033 0.79853 -0.18286 -0.07555 -0.04710 697 GLU A CB  
657  C CG  . GLU A 120 ? 0.81559 0.46089 0.84905 -0.18507 -0.06068 -0.05964 697 GLU A CG  
658  C CD  . GLU A 120 ? 0.86718 0.49406 0.85994 -0.17923 -0.08216 -0.09026 697 GLU A CD  
659  O OE1 . GLU A 120 ? 0.82180 0.49571 0.80119 -0.15867 -0.09906 -0.09459 697 GLU A OE1 
660  O OE2 . GLU A 120 ? 1.00320 0.56410 0.97439 -0.19603 -0.07902 -0.11015 697 GLU A OE2 
661  N N   . PHE A 121 ? 0.59620 0.48805 0.69470 -0.14492 -0.11068 -0.02314 698 PHE A N   
662  C CA  . PHE A 121 ? 0.56038 0.51989 0.69038 -0.14009 -0.12257 -0.00765 698 PHE A CA  
663  C C   . PHE A 121 ? 0.54011 0.49938 0.65335 -0.10980 -0.10559 0.01809  698 PHE A C   
664  O O   . PHE A 121 ? 0.53356 0.51990 0.67907 -0.10682 -0.09635 0.03862  698 PHE A O   
665  C CB  . PHE A 121 ? 0.56375 0.55710 0.67226 -0.13976 -0.15483 -0.02356 698 PHE A CB  
666  C CG  . PHE A 121 ? 0.51449 0.56675 0.64378 -0.13100 -0.17044 -0.00776 698 PHE A CG  
667  C CD1 . PHE A 121 ? 0.46143 0.56094 0.64618 -0.14834 -0.19278 -0.01122 698 PHE A CD1 
668  C CD2 . PHE A 121 ? 0.48498 0.54451 0.58187 -0.10476 -0.16413 0.00909  698 PHE A CD2 
669  C CE1 . PHE A 121 ? 0.43235 0.58207 0.63399 -0.13478 -0.20973 0.00313  698 PHE A CE1 
670  C CE2 . PHE A 121 ? 0.45535 0.55822 0.56310 -0.09511 -0.17796 0.02434  698 PHE A CE2 
671  C CZ  . PHE A 121 ? 0.40478 0.55113 0.56199 -0.10760 -0.20136 0.02209  698 PHE A CZ  
672  N N   . LEU A 122 ? 0.55584 0.48526 0.62205 -0.08649 -0.10183 0.01508  699 LEU A N   
673  C CA  . LEU A 122 ? 0.55209 0.47789 0.60365 -0.05886 -0.09104 0.03509  699 LEU A CA  
674  C C   . LEU A 122 ? 0.58598 0.47340 0.64201 -0.05474 -0.06800 0.05398  699 LEU A C   
675  O O   . LEU A 122 ? 0.55392 0.45329 0.61464 -0.04194 -0.05994 0.07490  699 LEU A O   
676  C CB  . LEU A 122 ? 0.58086 0.48185 0.59549 -0.03653 -0.09202 0.02289  699 LEU A CB  
677  C CG  . LEU A 122 ? 0.59078 0.52449 0.59258 -0.03701 -0.10423 0.00712  699 LEU A CG  
678  C CD1 . LEU A 122 ? 0.58835 0.50389 0.57140 -0.01380 -0.09815 -0.00478 699 LEU A CD1 
679  C CD2 . LEU A 122 ? 0.52799 0.51012 0.53828 -0.03727 -0.11198 0.02281  699 LEU A CD2 
680  N N   . GLU A 123 ? 0.59782 0.42900 0.64287 -0.06434 -0.05474 0.04711  700 GLU A N   
681  C CA  . GLU A 123 ? 0.65761 0.43778 0.69417 -0.06258 -0.02680 0.06603  700 GLU A CA  
682  C C   . GLU A 123 ? 0.61833 0.44137 0.71036 -0.08436 -0.01244 0.07961  700 GLU A C   
683  O O   . GLU A 123 ? 0.64412 0.46145 0.73294 -0.07125 0.00681  0.10169  700 GLU A O   
684  C CB  . GLU A 123 ? 0.69675 0.40035 0.70631 -0.07268 -0.01385 0.05511  700 GLU A CB  
685  C CG  . GLU A 123 ? 0.81787 0.45208 0.80558 -0.07396 0.02100  0.07525  700 GLU A CG  
686  C CD  . GLU A 123 ? 0.94047 0.53202 0.87160 -0.03355 0.02555  0.09473  700 GLU A CD  
687  O OE1 . GLU A 123 ? 0.91737 0.55521 0.86272 -0.02186 0.02296  0.10869  700 GLU A OE1 
688  O OE2 . GLU A 123 ? 1.01790 0.52499 0.88654 -0.01156 0.02839  0.09471  700 GLU A OE2 
689  N N   . LYS A 124 ? 0.58323 0.44995 0.72843 -0.11615 -0.02286 0.06450  701 LYS A N   
690  C CA  . LYS A 124 ? 0.55410 0.46491 0.76920 -0.13864 -0.00826 0.07284  701 LYS A CA  
691  C C   . LYS A 124 ? 0.53242 0.49762 0.76547 -0.11750 -0.01122 0.09176  701 LYS A C   
692  O O   . LYS A 124 ? 0.51707 0.49451 0.78682 -0.12002 0.01622  0.10794  701 LYS A O   
693  C CB  . LYS A 124 ? 0.52606 0.48457 0.80004 -0.17319 -0.03244 0.04789  701 LYS A CB  
694  C CG  . LYS A 124 ? 0.49830 0.53039 0.86601 -0.19344 -0.03060 0.05032  701 LYS A CG  
695  C CD  . LYS A 124 ? 0.49007 0.57552 0.90757 -0.21991 -0.07256 0.02115  701 LYS A CD  
696  C CE  . LYS A 124 ? 0.47706 0.64241 1.00471 -0.24087 -0.07650 0.01769  701 LYS A CE  
697  N NZ  . LYS A 124 ? 0.51715 0.66043 1.10270 -0.27442 -0.03195 0.01795  701 LYS A NZ  
698  N N   . TYR A 125 ? 0.50546 0.49943 0.71181 -0.09696 -0.04036 0.08973  702 TYR A N   
699  C CA  . TYR A 125 ? 0.48658 0.52510 0.70289 -0.07709 -0.04643 0.10622  702 TYR A CA  
700  C C   . TYR A 125 ? 0.50545 0.50323 0.66152 -0.04540 -0.03713 0.12211  702 TYR A C   
701  O O   . TYR A 125 ? 0.49813 0.52128 0.65050 -0.02762 -0.04288 0.13480  702 TYR A O   
702  C CB  . TYR A 125 ? 0.41735 0.51247 0.64437 -0.07869 -0.08502 0.09419  702 TYR A CB  
703  C CG  . TYR A 125 ? 0.42898 0.57402 0.72341 -0.10533 -0.10268 0.07904  702 TYR A CG  
704  C CD1 . TYR A 125 ? 0.39272 0.59280 0.75556 -0.10629 -0.10140 0.08784  702 TYR A CD1 
705  C CD2 . TYR A 125 ? 0.43531 0.57245 0.72871 -0.12837 -0.12204 0.05341  702 TYR A CD2 
706  C CE1 . TYR A 125 ? 0.39310 0.64697 0.83142 -0.13017 -0.12279 0.07024  702 TYR A CE1 
707  C CE2 . TYR A 125 ? 0.42851 0.61105 0.78666 -0.15394 -0.14443 0.03583  702 TYR A CE2 
708  C CZ  . TYR A 125 ? 0.38887 0.63336 0.82427 -0.15518 -0.14649 0.04367  702 TYR A CZ  
709  O OH  . TYR A 125 ? 0.42101 0.71858 0.93366 -0.18016 -0.17408 0.02243  702 TYR A OH  
710  N N   . LYS A 126 ? 0.54796 0.47968 0.65649 -0.03685 -0.02554 0.12051  703 LYS A N   
711  C CA  . LYS A 126 ? 0.57981 0.46825 0.63414 -0.00604 -0.02125 0.13266  703 LYS A CA  
712  C C   . LYS A 126 ? 0.54522 0.46658 0.58667 0.00863  -0.04739 0.12745  703 LYS A C   
713  O O   . LYS A 126 ? 0.53120 0.44893 0.55255 0.02867  -0.04854 0.13972  703 LYS A O   
714  C CB  . LYS A 126 ? 0.59447 0.46558 0.64473 0.00506  0.00545  0.15609  703 LYS A CB  
715  C CG  . LYS A 126 ? 0.61018 0.45534 0.68348 -0.01495 0.04120  0.16242  703 LYS A CG  
716  C CD  . LYS A 126 ? 0.70031 0.46191 0.72405 -0.01617 0.05380  0.15767  703 LYS A CD  
717  C CE  . LYS A 126 ? 0.72063 0.45911 0.77630 -0.04729 0.09096  0.15983  703 LYS A CE  
718  N NZ  . LYS A 126 ? 0.82813 0.47787 0.83124 -0.05125 0.10112  0.15355  703 LYS A NZ  
719  N N   . ILE A 127 ? 0.53265 0.47933 0.58112 -0.00254 -0.06578 0.10810  704 ILE A N   
720  C CA  . ILE A 127 ? 0.50655 0.48293 0.54385 0.00540  -0.08320 0.10209  704 ILE A CA  
721  C C   . ILE A 127 ? 0.49041 0.43460 0.49912 0.02448  -0.08560 0.09299  704 ILE A C   
722  O O   . ILE A 127 ? 0.51712 0.43008 0.51600 0.02591  -0.08451 0.07863  704 ILE A O   
723  C CB  . ILE A 127 ? 0.47665 0.48688 0.52439 -0.01368 -0.09806 0.08505  704 ILE A CB  
724  C CG1 . ILE A 127 ? 0.47380 0.52527 0.55473 -0.02636 -0.10589 0.09332  704 ILE A CG1 
725  C CG2 . ILE A 127 ? 0.43951 0.46361 0.46375 -0.00648 -0.10630 0.07731  704 ILE A CG2 
726  C CD1 . ILE A 127 ? 0.45087 0.52443 0.54135 -0.04683 -0.12521 0.07426  704 ILE A CD1 
727  N N   . ASP A 128 ? 0.47925 0.43025 0.47790 0.04009  -0.09066 0.09962  705 ASP A N   
728  C CA  . ASP A 128 ? 0.48726 0.41971 0.47398 0.05825  -0.09804 0.08723  705 ASP A CA  
729  C C   . ASP A 128 ? 0.48367 0.45118 0.48367 0.05083  -0.10235 0.06793  705 ASP A C   
730  O O   . ASP A 128 ? 0.46649 0.42614 0.47160 0.06033  -0.10500 0.04873  705 ASP A O   
731  C CB  . ASP A 128 ? 0.52786 0.45294 0.50136 0.07455  -0.09504 0.09557  705 ASP A CB  
732  C CG  . ASP A 128 ? 0.55058 0.44772 0.50683 0.08053  -0.07432 0.10895  705 ASP A CG  
733  O OD1 . ASP A 128 ? 0.63544 0.49287 0.57896 0.08615  -0.07218 0.10745  705 ASP A OD1 
734  O OD2 . ASP A 128 ? 0.57609 0.48170 0.52318 0.08080  -0.06060 0.11469  705 ASP A OD2 
735  N N   . TYR A 129 ? 0.46994 0.47202 0.47250 0.03611  -0.10122 0.07228  706 TYR A N   
736  C CA  . TYR A 129 ? 0.45451 0.47980 0.45799 0.02778  -0.09752 0.05572  706 TYR A CA  
737  C C   . TYR A 129 ? 0.45194 0.49363 0.43961 0.00942  -0.09817 0.05725  706 TYR A C   
738  O O   . TYR A 129 ? 0.43516 0.48386 0.42130 0.00494  -0.10539 0.07360  706 TYR A O   
739  C CB  . TYR A 129 ? 0.42863 0.46748 0.43778 0.03184  -0.09500 0.05802  706 TYR A CB  
740  C CG  . TYR A 129 ? 0.46204 0.48679 0.48778 0.05126  -0.10293 0.05318  706 TYR A CG  
741  C CD1 . TYR A 129 ? 0.50456 0.50440 0.51748 0.06443  -0.11189 0.07083  706 TYR A CD1 
742  C CD2 . TYR A 129 ? 0.45723 0.49175 0.51024 0.05924  -0.10298 0.02929  706 TYR A CD2 
743  C CE1 . TYR A 129 ? 0.49178 0.47273 0.50741 0.08209  -0.11869 0.06301  706 TYR A CE1 
744  C CE2 . TYR A 129 ? 0.46000 0.48254 0.53002 0.08061  -0.11885 0.02203  706 TYR A CE2 
745  C CZ  . TYR A 129 ? 0.48728 0.47773 0.53336 0.09382  -0.13247 0.03995  706 TYR A CZ  
746  O OH  . TYR A 129 ? 0.48168 0.45684 0.52916 0.10650  -0.13795 0.02902  706 TYR A OH  
747  N N   . VAL A 130 ? 0.47214 0.51864 0.44701 0.00130  -0.09135 0.03843  707 VAL A N   
748  C CA  . VAL A 130 ? 0.45621 0.50855 0.39893 -0.01309 -0.09442 0.03675  707 VAL A CA  
749  C C   . VAL A 130 ? 0.51378 0.57077 0.43388 -0.01598 -0.07886 0.03667  707 VAL A C   
750  O O   . VAL A 130 ? 0.51399 0.57367 0.44710 -0.01384 -0.06048 0.02084  707 VAL A O   
751  C CB  . VAL A 130 ? 0.47179 0.51075 0.40092 -0.02101 -0.09566 0.01393  707 VAL A CB  
752  C CG1 . VAL A 130 ? 0.50225 0.53864 0.38413 -0.03289 -0.10193 0.00944  707 VAL A CG1 
753  C CG2 . VAL A 130 ? 0.47202 0.50039 0.42317 -0.02394 -0.10778 0.01428  707 VAL A CG2 
754  N N   . ALA A 131 ? 0.50893 0.56539 0.39788 -0.02024 -0.08458 0.05384  708 ALA A N   
755  C CA  . ALA A 131 ? 0.57725 0.62523 0.43320 -0.02589 -0.06572 0.05705  708 ALA A CA  
756  C C   . ALA A 131 ? 0.60414 0.63275 0.40135 -0.03520 -0.05899 0.04541  708 ALA A C   
757  O O   . ALA A 131 ? 0.64193 0.66241 0.40698 -0.03586 -0.08265 0.04805  708 ALA A O   
758  C CB  . ALA A 131 ? 0.58880 0.63112 0.42777 -0.02215 -0.07442 0.08322  708 ALA A CB  
759  N N   . HIS A 132 ? 0.67420 0.69469 0.45793 -0.04190 -0.02678 0.03076  709 HIS A N   
760  C CA  . HIS A 132 ? 0.74566 0.73649 0.45971 -0.04934 -0.01331 0.01879  709 HIS A CA  
761  C C   . HIS A 132 ? 0.81771 0.79242 0.50452 -0.05928 0.02977  0.01834  709 HIS A C   
762  O O   . HIS A 132 ? 0.77685 0.77511 0.52148 -0.06225 0.05116  0.01611  709 HIS A O   
763  C CB  . HIS A 132 ? 0.77324 0.76402 0.49702 -0.04783 -0.01066 -0.00906 709 HIS A CB  
764  C CG  . HIS A 132 ? 0.87376 0.82670 0.51495 -0.05236 -0.01593 -0.01993 709 HIS A CG  
765  N ND1 . HIS A 132 ? 0.95853 0.88330 0.54941 -0.05633 0.01995  -0.03866 709 HIS A ND1 
766  C CD2 . HIS A 132 ? 0.89489 0.83160 0.49310 -0.05269 -0.05426 -0.01633 709 HIS A CD2 
767  C CE1 . HIS A 132 ? 1.00686 0.89102 0.51457 -0.05778 0.00257  -0.04548 709 HIS A CE1 
768  N NE2 . HIS A 132 ? 1.03664 0.93004 0.55109 -0.05586 -0.04596 -0.03313 709 HIS A NE2 
769  N N   . ASP A 133 ? 0.90927 0.83982 0.50535 -0.06520 0.04263  0.01917  710 ASP A N   
770  C CA  . ASP A 133 ? 0.94466 0.84737 0.50064 -0.07802 0.09177  0.02030  710 ASP A CA  
771  C C   . ASP A 133 ? 0.97354 0.87281 0.52693 -0.08359 0.13571  -0.00866 710 ASP A C   
772  O O   . ASP A 133 ? 0.97603 0.88774 0.54818 -0.07520 0.12392  -0.02968 710 ASP A O   
773  C CB  . ASP A 133 ? 1.02264 0.86358 0.46380 -0.07865 0.08551  0.04095  710 ASP A CB  
774  C CG  . ASP A 133 ? 1.12219 0.92965 0.48440 -0.07036 0.05778  0.03129  710 ASP A CG  
775  O OD1 . ASP A 133 ? 1.10118 0.92794 0.49362 -0.06862 0.05492  0.00662  710 ASP A OD1 
776  O OD2 . ASP A 133 ? 1.23463 0.99917 0.51647 -0.06237 0.03506  0.04624  710 ASP A OD2 
777  N N   . ASP A 144 ? 0.99663 0.85935 0.71800 0.04263  0.16878  -0.27605 739 ASP A N   
778  C CA  . ASP A 144 ? 1.02659 0.86238 0.67131 0.01727  0.14183  -0.25367 739 ASP A CA  
779  C C   . ASP A 144 ? 1.00339 0.83016 0.66016 0.01066  0.08557  -0.23866 739 ASP A C   
780  O O   . ASP A 144 ? 0.96013 0.80217 0.68329 0.02388  0.07056  -0.23785 739 ASP A O   
781  C CB  . ASP A 144 ? 1.00413 0.87573 0.65815 0.00287  0.15723  -0.22763 739 ASP A CB  
782  C CG  . ASP A 144 ? 0.93063 0.86635 0.69485 0.00975  0.15322  -0.21369 739 ASP A CG  
783  O OD1 . ASP A 144 ? 0.88894 0.85533 0.72838 0.02937  0.17128  -0.23288 739 ASP A OD1 
784  O OD2 . ASP A 144 ? 0.87898 0.83281 0.65267 -0.00249 0.12999  -0.18471 739 ASP A OD2 
785  N N   . ILE A 145 ? 1.06283 0.86171 0.65376 -0.00908 0.05500  -0.22789 740 ILE A N   
786  C CA  . ILE A 145 ? 1.00805 0.80176 0.61736 -0.01949 0.00720  -0.21673 740 ILE A CA  
787  C C   . ILE A 145 ? 0.92574 0.76891 0.61614 -0.01741 -0.00530 -0.18843 740 ILE A C   
788  O O   . ILE A 145 ? 0.90657 0.74724 0.62821 -0.02200 -0.03367 -0.17945 740 ILE A O   
789  C CB  . ILE A 145 ? 1.06834 0.83629 0.60500 -0.04001 -0.02570 -0.21204 740 ILE A CB  
790  N N   . TYR A 146 ? 0.90861 0.79179 0.63076 -0.01192 0.01767  -0.17494 741 TYR A N   
791  C CA  . TYR A 146 ? 0.78866 0.71345 0.57814 -0.00851 0.00662  -0.14983 741 TYR A CA  
792  C C   . TYR A 146 ? 0.72554 0.67225 0.58528 0.01435  0.02100  -0.15986 741 TYR A C   
793  O O   . TYR A 146 ? 0.67940 0.65797 0.59082 0.02015  0.01385  -0.14291 741 TYR A O   
794  C CB  . TYR A 146 ? 0.81544 0.76447 0.59188 -0.01881 0.01645  -0.12856 741 TYR A CB  
795  C CG  . TYR A 146 ? 0.87786 0.81476 0.60432 -0.03460 -0.01321 -0.10925 741 TYR A CG  
796  C CD1 . TYR A 146 ? 0.94646 0.84703 0.58823 -0.04356 -0.01574 -0.11810 741 TYR A CD1 
797  C CD2 . TYR A 146 ? 0.86959 0.82997 0.63225 -0.03733 -0.03995 -0.08328 741 TYR A CD2 
798  C CE1 . TYR A 146 ? 0.95749 0.85015 0.55859 -0.05334 -0.05081 -0.10244 741 TYR A CE1 
799  C CE2 . TYR A 146 ? 0.91015 0.86737 0.63971 -0.04766 -0.06881 -0.06754 741 TYR A CE2 
800  C CZ  . TYR A 146 ? 0.93475 0.86075 0.58734 -0.05485 -0.07720 -0.07755 741 TYR A CZ  
801  O OH  . TYR A 146 ? 0.96670 0.89342 0.59333 -0.06055 -0.11326 -0.06368 741 TYR A OH  
802  N N   . ALA A 147 ? 0.76005 0.68764 0.62071 0.03024  0.03805  -0.18871 742 ALA A N   
803  C CA  . ALA A 147 ? 0.67819 0.62907 0.60875 0.05767  0.04797  -0.20221 742 ALA A CA  
804  C C   . ALA A 147 ? 0.64912 0.58766 0.61094 0.07092  0.01441  -0.18946 742 ALA A C   
805  O O   . ALA A 147 ? 0.57900 0.54510 0.59884 0.09060  0.00859  -0.18687 742 ALA A O   
806  C CB  . ALA A 147 ? 0.73641 0.66481 0.65689 0.07565  0.07352  -0.23735 742 ALA A CB  
807  N N   . TRP A 148 ? 0.64544 0.53887 0.56775 0.05996  -0.00764 -0.18240 743 TRP A N   
808  C CA  . TRP A 148 ? 0.65605 0.52668 0.59767 0.07058  -0.03161 -0.16805 743 TRP A CA  
809  C C   . TRP A 148 ? 0.60688 0.51111 0.57585 0.06518  -0.04413 -0.13796 743 TRP A C   
810  O O   . TRP A 148 ? 0.59090 0.48465 0.58250 0.08357  -0.05778 -0.12792 743 TRP A O   
811  C CB  . TRP A 148 ? 0.71403 0.52912 0.61334 0.05367  -0.04577 -0.16774 743 TRP A CB  
812  C CG  . TRP A 148 ? 0.73030 0.55739 0.61039 0.02077  -0.05833 -0.14927 743 TRP A CG  
813  C CD1 . TRP A 148 ? 0.75783 0.58881 0.59876 -0.00047 -0.05867 -0.15735 743 TRP A CD1 
814  C CD2 . TRP A 148 ? 0.69573 0.53079 0.59394 0.00866  -0.07392 -0.12115 743 TRP A CD2 
815  N NE1 . TRP A 148 ? 0.73916 0.58594 0.58069 -0.02340 -0.07872 -0.13671 743 TRP A NE1 
816  C CE2 . TRP A 148 ? 0.71785 0.57039 0.59891 -0.01904 -0.08507 -0.11460 743 TRP A CE2 
817  C CE3 . TRP A 148 ? 0.68054 0.50580 0.60343 0.02087  -0.07917 -0.10154 743 TRP A CE3 
818  C CZ2 . TRP A 148 ? 0.71014 0.58041 0.61227 -0.03455 -0.09908 -0.09034 743 TRP A CZ2 
819  C CZ3 . TRP A 148 ? 0.68300 0.51841 0.61645 0.00365  -0.08779 -0.07619 743 TRP A CZ3 
820  C CH2 . TRP A 148 ? 0.67898 0.54147 0.60907 -0.02375 -0.09654 -0.07137 743 TRP A CH2 
821  N N   . LEU A 149 ? 0.58034 0.51688 0.53943 0.04326  -0.04038 -0.12358 744 LEU A N   
822  C CA  . LEU A 149 ? 0.54439 0.50935 0.52705 0.04066  -0.05014 -0.09675 744 LEU A CA  
823  C C   . LEU A 149 ? 0.49344 0.49275 0.52416 0.05943  -0.04222 -0.10248 744 LEU A C   
824  O O   . LEU A 149 ? 0.50463 0.50758 0.56026 0.07208  -0.05768 -0.08924 744 LEU A O   
825  C CB  . LEU A 149 ? 0.56278 0.54649 0.51787 0.01604  -0.04979 -0.08080 744 LEU A CB  
826  C CG  . LEU A 149 ? 0.58309 0.54831 0.50921 -0.00308 -0.06814 -0.07053 744 LEU A CG  
827  C CD1 . LEU A 149 ? 0.59739 0.57892 0.48974 -0.01942 -0.06945 -0.06263 744 LEU A CD1 
828  C CD2 . LEU A 149 ? 0.58009 0.54345 0.53098 -0.00133 -0.08247 -0.04725 744 LEU A CD2 
829  N N   . LYS A 150 ? 0.48640 0.51039 0.53146 0.06068  -0.01746 -0.12360 745 LYS A N   
830  C CA  . LYS A 150 ? 0.43527 0.50035 0.54351 0.07602  -0.00926 -0.13466 745 LYS A CA  
831  C C   . LYS A 150 ? 0.43735 0.49056 0.58253 0.11012  -0.02905 -0.14869 745 LYS A C   
832  O O   . LYS A 150 ? 0.41149 0.48572 0.60209 0.12619  -0.04598 -0.14704 745 LYS A O   
833  C CB  . LYS A 150 ? 0.45766 0.55029 0.57773 0.06856  0.02974  -0.15694 745 LYS A CB  
834  C CG  . LYS A 150 ? 0.48861 0.58170 0.55910 0.03806  0.04998  -0.14156 745 LYS A CG  
835  C CD  . LYS A 150 ? 0.54473 0.64031 0.59796 0.03142  0.09434  -0.16450 745 LYS A CD  
836  C CE  . LYS A 150 ? 0.59725 0.67822 0.58354 0.00407  0.11472  -0.14775 745 LYS A CE  
837  N NZ  . LYS A 150 ? 0.63164 0.70065 0.58255 -0.00224 0.16358  -0.16875 745 LYS A NZ  
838  N N   . ARG A 151 ? 0.48023 0.49198 0.59961 0.12306  -0.03064 -0.16299 746 ARG A N   
839  C CA  . ARG A 151 ? 0.50235 0.48943 0.64415 0.16019  -0.05001 -0.17668 746 ARG A CA  
840  C C   . ARG A 151 ? 0.49286 0.44450 0.61739 0.17040  -0.08185 -0.15207 746 ARG A C   
841  O O   . ARG A 151 ? 0.50902 0.44556 0.65414 0.20501  -0.10394 -0.15963 746 ARG A O   
842  C CB  . ARG A 151 ? 0.56200 0.49789 0.66608 0.16942  -0.04303 -0.19498 746 ARG A CB  
843  C CG  . ARG A 151 ? 0.58970 0.54609 0.73914 0.19950  -0.02882 -0.22986 746 ARG A CG  
844  C CD  . ARG A 151 ? 0.65725 0.55952 0.76133 0.20673  -0.01620 -0.25051 746 ARG A CD  
845  N NE  . ARG A 151 ? 0.68823 0.55957 0.72400 0.16883  -0.00674 -0.23977 746 ARG A NE  
846  C CZ  . ARG A 151 ? 0.72752 0.57374 0.72239 0.16091  0.01487  -0.26047 746 ARG A CZ  
847  N NH1 . ARG A 151 ? 0.77285 0.62122 0.78737 0.18792  0.03674  -0.29252 746 ARG A NH1 
848  N NH2 . ARG A 151 ? 0.76727 0.58565 0.70068 0.12678  0.01324  -0.25069 746 ARG A NH2 
849  N N   . ALA A 152 ? 0.47505 0.41151 0.56072 0.14357  -0.08439 -0.12388 747 ALA A N   
850  C CA  . ALA A 152 ? 0.50771 0.40745 0.57016 0.14961  -0.10529 -0.09844 747 ALA A CA  
851  C C   . ALA A 152 ? 0.49970 0.43651 0.58479 0.14595  -0.11366 -0.08206 747 ALA A C   
852  O O   . ALA A 152 ? 0.49180 0.39686 0.55250 0.15205  -0.12824 -0.06066 747 ALA A O   
853  C CB  . ALA A 152 ? 0.52124 0.38303 0.53648 0.12274  -0.09992 -0.07941 747 ALA A CB  
854  N N   . GLY A 153 ? 0.44850 0.44456 0.57436 0.13521  -0.10142 -0.09176 748 GLY A N   
855  C CA  . GLY A 153 ? 0.40677 0.43336 0.55308 0.12848  -0.10789 -0.07833 748 GLY A CA  
856  C C   . GLY A 153 ? 0.44843 0.47128 0.55762 0.10126  -0.10131 -0.04967 748 GLY A C   
857  O O   . GLY A 153 ? 0.47035 0.50031 0.58184 0.09929  -0.10987 -0.03385 748 GLY A O   
858  N N   . LYS A 154 ? 0.42370 0.43468 0.49981 0.08207  -0.08919 -0.04457 749 LYS A N   
859  C CA  . LYS A 154 ? 0.46277 0.47128 0.50921 0.06068  -0.08839 -0.01966 749 LYS A CA  
860  C C   . LYS A 154 ? 0.49607 0.53410 0.53235 0.03818  -0.07299 -0.01977 749 LYS A C   
861  O O   . LYS A 154 ? 0.49504 0.53207 0.50551 0.02296  -0.07599 -0.00267 749 LYS A O   
862  C CB  . LYS A 154 ? 0.49504 0.46664 0.51443 0.05480  -0.09201 -0.01411 749 LYS A CB  
863  C CG  . LYS A 154 ? 0.54221 0.46978 0.55307 0.07382  -0.10260 -0.00335 749 LYS A CG  
864  C CD  . LYS A 154 ? 0.55742 0.44086 0.54578 0.06589  -0.09936 -0.00252 749 LYS A CD  
865  C CE  . LYS A 154 ? 0.61744 0.44103 0.58424 0.08960  -0.10484 0.00495  749 LYS A CE  
866  N NZ  . LYS A 154 ? 0.67364 0.49222 0.63132 0.09436  -0.10664 0.03013  749 LYS A NZ  
867  N N   . PHE A 155 ? 0.47940 0.54096 0.53399 0.03710  -0.05564 -0.03897 750 PHE A N   
868  C CA  . PHE A 155 ? 0.47652 0.55164 0.50623 0.01682  -0.03512 -0.03914 750 PHE A CA  
869  C C   . PHE A 155 ? 0.49251 0.59032 0.54193 0.01056  -0.02601 -0.03004 750 PHE A C   
870  O O   . PHE A 155 ? 0.49026 0.60975 0.59121 0.01978  -0.02275 -0.04338 750 PHE A O   
871  C CB  . PHE A 155 ? 0.47792 0.55529 0.50675 0.01696  -0.01151 -0.06738 750 PHE A CB  
872  C CG  . PHE A 155 ? 0.54715 0.62449 0.53389 -0.00239 0.01472  -0.06807 750 PHE A CG  
873  C CD1 . PHE A 155 ? 0.52596 0.62537 0.53205 -0.01122 0.04081  -0.06840 750 PHE A CD1 
874  C CD2 . PHE A 155 ? 0.59166 0.64041 0.51481 -0.01231 0.01319  -0.06931 750 PHE A CD2 
875  C CE1 . PHE A 155 ? 0.58963 0.67486 0.54272 -0.02885 0.06990  -0.06660 750 PHE A CE1 
876  C CE2 . PHE A 155 ? 0.65297 0.68806 0.51940 -0.02651 0.03551  -0.06903 750 PHE A CE2 
877  C CZ  . PHE A 155 ? 0.65443 0.70388 0.53095 -0.03438 0.06667  -0.06618 750 PHE A CZ  
878  N N   . LYS A 156 ? 0.51337 0.60435 0.52352 -0.00438 -0.02444 -0.00885 751 LYS A N   
879  C CA  . LYS A 156 ? 0.50476 0.60495 0.52096 -0.01400 -0.01267 0.00130  751 LYS A CA  
880  C C   . LYS A 156 ? 0.56422 0.64998 0.52471 -0.03234 0.01107  0.00586  751 LYS A C   
881  O O   . LYS A 156 ? 0.58066 0.64523 0.48654 -0.03495 -0.00160 0.01976  751 LYS A O   
882  C CB  . LYS A 156 ? 0.46718 0.55731 0.47690 -0.00880 -0.03541 0.02710  751 LYS A CB  
883  C CG  . LYS A 156 ? 0.45946 0.55149 0.50925 0.00983  -0.05578 0.02493  751 LYS A CG  
884  C CD  . LYS A 156 ? 0.47990 0.59548 0.58425 0.01196  -0.04889 0.00361  751 LYS A CD  
885  C CE  . LYS A 156 ? 0.44742 0.55604 0.57218 0.02536  -0.07278 0.00926  751 LYS A CE  
886  N NZ  . LYS A 156 ? 0.45108 0.59000 0.63862 0.02342  -0.06982 -0.01458 751 LYS A NZ  
887  N N   . ALA A 157 ? 0.55075 0.64558 0.52418 -0.04454 0.04530  -0.00650 752 ALA A N   
888  C CA  . ALA A 157 ? 0.63708 0.70420 0.54345 -0.06190 0.07473  -0.00070 752 ALA A CA  
889  C C   . ALA A 157 ? 0.68047 0.72650 0.55647 -0.07177 0.07448  0.02535  752 ALA A C   
890  O O   . ALA A 157 ? 0.70276 0.76465 0.62852 -0.07300 0.07045  0.02873  752 ALA A O   
891  C CB  . ALA A 157 ? 0.61182 0.69218 0.54247 -0.07284 0.12217  -0.02583 752 ALA A CB  
892  N N   . THR A 158 ? 0.71125 1.08264 0.60280 0.22519  -0.12136 0.18714  753 THR A N   
893  C CA  . THR A 158 ? 0.74655 1.07288 0.57684 0.21534  -0.13766 0.16370  753 THR A CA  
894  C C   . THR A 158 ? 0.69697 1.05047 0.59695 0.18263  -0.14137 0.15625  753 THR A C   
895  O O   . THR A 158 ? 0.66150 1.03664 0.60707 0.18081  -0.10343 0.15342  753 THR A O   
896  C CB  . THR A 158 ? 0.75180 1.04894 0.52772 0.23773  -0.09972 0.15784  753 THR A CB  
897  O OG1 . THR A 158 ? 0.67688 1.00655 0.52464 0.23215  -0.06039 0.16512  753 THR A OG1 
898  C CG2 . THR A 158 ? 0.81432 1.09219 0.51861 0.27818  -0.09136 0.17676  753 THR A CG2 
899  N N   . GLN A 159 ? 0.74155 1.09128 0.64990 0.15797  -0.19130 0.15844  754 GLN A N   
900  C CA  . GLN A 159 ? 0.71418 1.09686 0.69391 0.12671  -0.19891 0.16372  754 GLN A CA  
901  C C   . GLN A 159 ? 0.72056 1.09028 0.69083 0.12474  -0.15985 0.14249  754 GLN A C   
902  O O   . GLN A 159 ? 0.77062 1.09504 0.67057 0.14187  -0.14011 0.12240  754 GLN A O   
903  C CB  . GLN A 159 ? 0.76572 1.11632 0.72855 0.09755  -0.27255 0.16880  754 GLN A CB  
904  N N   . ARG A 160 ? 0.71552 1.12898 0.75877 0.10741  -0.14631 0.15276  755 ARG A N   
905  C CA  . ARG A 160 ? 0.72455 1.12775 0.76230 0.10728  -0.10866 0.13479  755 ARG A CA  
906  C C   . ARG A 160 ? 0.69764 1.04936 0.68185 0.08728  -0.13558 0.11497  755 ARG A C   
907  O O   . ARG A 160 ? 0.73672 1.06887 0.71113 0.06580  -0.18950 0.12078  755 ARG A O   
908  C CB  . ARG A 160 ? 0.68597 1.14968 0.80609 0.10580  -0.08146 0.15568  755 ARG A CB  
909  N N   . THR A 161 ? 0.64687 0.96993 0.59635 0.09402  -0.10389 0.09333  756 THR A N   
910  C CA  . THR A 161 ? 0.69498 0.96194 0.58301 0.08350  -0.12276 0.07222  756 THR A CA  
911  C C   . THR A 161 ? 0.67107 0.94671 0.58445 0.07378  -0.09101 0.06428  756 THR A C   
912  O O   . THR A 161 ? 0.67142 0.95686 0.59583 0.08917  -0.05038 0.06133  756 THR A O   
913  C CB  . THR A 161 ? 0.70254 0.91325 0.49655 0.11383  -0.11550 0.05623  756 THR A CB  
914  O OG1 . THR A 161 ? 0.68372 0.91072 0.49367 0.13092  -0.06486 0.05819  756 THR A OG1 
915  C CG2 . THR A 161 ? 0.72682 0.92632 0.48320 0.13317  -0.13918 0.06535  756 THR A CG2 
916  N N   . GLU A 162 ? 0.68011 0.94383 0.59906 0.04757  -0.11590 0.06234  757 GLU A N   
917  C CA  . GLU A 162 ? 0.66480 0.92721 0.59364 0.03938  -0.08916 0.05335  757 GLU A CA  
918  C C   . GLU A 162 ? 0.67326 0.86721 0.52074 0.04578  -0.09367 0.02664  757 GLU A C   
919  O O   . GLU A 162 ? 0.69749 0.83865 0.48079 0.04876  -0.13177 0.01659  757 GLU A O   
920  C CB  . GLU A 162 ? 0.65343 0.95317 0.64797 0.00863  -0.10793 0.07628  757 GLU A CB  
921  N N   . GLY A 163 ? 0.68285 0.87122 0.52638 0.05280  -0.05672 0.01679  758 GLY A N   
922  C CA  . GLY A 163 ? 0.65064 0.78575 0.43049 0.06211  -0.05390 -0.00079 758 GLY A CA  
923  C C   . GLY A 163 ? 0.68133 0.81529 0.48139 0.04516  -0.03873 -0.00707 758 GLY A C   
924  O O   . GLY A 163 ? 0.66969 0.84157 0.52474 0.03095  -0.02697 0.00207  758 GLY A O   
925  N N   . VAL A 164 ? 0.68116 0.76950 0.42962 0.05315  -0.03672 -0.02029 759 VAL A N   
926  C CA  . VAL A 164 ? 0.68255 0.76456 0.44422 0.03994  -0.02142 -0.02604 759 VAL A CA  
927  C C   . VAL A 164 ? 0.66519 0.75664 0.44069 0.05700  0.01325  -0.01839 759 VAL A C   
928  O O   . VAL A 164 ? 0.64561 0.71717 0.39137 0.07761  0.02536  -0.01381 759 VAL A O   
929  C CB  . VAL A 164 ? 0.71974 0.74540 0.42409 0.03835  -0.04229 -0.04107 759 VAL A CB  
930  C CG1 . VAL A 164 ? 0.67700 0.70133 0.40235 0.02218  -0.02694 -0.04442 759 VAL A CG1 
931  C CG2 . VAL A 164 ? 0.74570 0.74508 0.43406 0.01784  -0.09440 -0.04483 759 VAL A CG2 
932  N N   . SER A 165 ? 0.63898 0.75740 0.45991 0.05098  0.02639  -0.01196 760 SER A N   
933  C CA  . SER A 165 ? 0.60112 0.71496 0.43887 0.06076  0.04262  -0.00197 760 SER A CA  
934  C C   . SER A 165 ? 0.61949 0.70744 0.45358 0.05108  0.04673  -0.00547 760 SER A C   
935  O O   . SER A 165 ? 0.62045 0.69801 0.44195 0.03653  0.04216  -0.01834 760 SER A O   
936  C CB  . SER A 165 ? 0.59644 0.72265 0.46180 0.06325  0.04574  0.00091  760 SER A CB  
937  O OG  . SER A 165 ? 0.60620 0.73213 0.47251 0.05393  0.04869  -0.00822 760 SER A OG  
938  N N   . THR A 166 ? 0.60701 0.68578 0.46023 0.05688  0.05112  0.01203  761 THR A N   
939  C CA  . THR A 166 ? 0.60701 0.65966 0.46754 0.04485  0.04782  0.01379  761 THR A CA  
940  C C   . THR A 166 ? 0.62924 0.66325 0.47566 0.03196  0.04243  -0.00772 761 THR A C   
941  O O   . THR A 166 ? 0.65366 0.67250 0.48680 0.02017  0.04204  -0.01677 761 THR A O   
942  C CB  . THR A 166 ? 0.62233 0.66585 0.52191 0.04611  0.03861  0.04276  761 THR A CB  
943  O OG1 . THR A 166 ? 0.60768 0.68279 0.52849 0.06364  0.05149  0.07492  761 THR A OG1 
944  C CG2 . THR A 166 ? 0.61640 0.62889 0.52781 0.03073  0.02587  0.04985  761 THR A CG2 
945  N N   . THR A 167 ? 0.59648 0.63181 0.44187 0.03991  0.04148  -0.01261 762 THR A N   
946  C CA  . THR A 167 ? 0.62216 0.64450 0.44581 0.04155  0.04560  -0.02547 762 THR A CA  
947  C C   . THR A 167 ? 0.62165 0.67517 0.44705 0.02858  0.05403  -0.02930 762 THR A C   
948  O O   . THR A 167 ? 0.61498 0.65517 0.42688 0.02062  0.05678  -0.03380 762 THR A O   
949  C CB  . THR A 167 ? 0.62914 0.65478 0.44661 0.06466  0.05053  -0.02489 762 THR A CB  
950  O OG1 . THR A 167 ? 0.65821 0.64671 0.47650 0.07307  0.03263  -0.01927 762 THR A OG1 
951  C CG2 . THR A 167 ? 0.66032 0.66436 0.44054 0.08205  0.06140  -0.03200 762 THR A CG2 
952  N N   . ASP A 168 ? 0.59213 0.68195 0.43390 0.02499  0.05186  -0.02461 763 ASP A N   
953  C CA  . ASP A 168 ? 0.60054 0.71092 0.45065 0.00684  0.04472  -0.02259 763 ASP A CA  
954  C C   . ASP A 168 ? 0.61448 0.69173 0.44339 -0.00785 0.03687  -0.03223 763 ASP A C   
955  O O   . ASP A 168 ? 0.59247 0.67221 0.42626 -0.02406 0.03322  -0.03007 763 ASP A O   
956  C CB  . ASP A 168 ? 0.62107 0.75318 0.48113 0.00376  0.02742  -0.01721 763 ASP A CB  
957  C CG  . ASP A 168 ? 0.60316 0.77484 0.49228 0.01775  0.03465  -0.00356 763 ASP A CG  
958  O OD1 . ASP A 168 ? 0.62318 0.81469 0.52793 0.02984  0.05407  0.00574  763 ASP A OD1 
959  O OD2 . ASP A 168 ? 0.62740 0.80647 0.51618 0.02227  0.02180  -0.00119 763 ASP A OD2 
960  N N   . LEU A 169 ? 0.64023 0.69094 0.45083 0.00041  0.03640  -0.03635 764 LEU A N   
961  C CA  . LEU A 169 ? 0.62928 0.64959 0.41880 -0.00545 0.03251  -0.04179 764 LEU A CA  
962  C C   . LEU A 169 ? 0.61942 0.62325 0.41318 -0.01629 0.03725  -0.04318 764 LEU A C   
963  O O   . LEU A 169 ? 0.59224 0.58194 0.37612 -0.03032 0.03177  -0.04827 764 LEU A O   
964  C CB  . LEU A 169 ? 0.60781 0.61781 0.38613 0.01593  0.03985  -0.03257 764 LEU A CB  
965  C CG  . LEU A 169 ? 0.69913 0.71263 0.45086 0.03736  0.03727  -0.03069 764 LEU A CG  
966  C CD1 . LEU A 169 ? 0.66672 0.68489 0.41874 0.06661  0.05677  -0.00723 764 LEU A CD1 
967  C CD2 . LEU A 169 ? 0.67032 0.64900 0.37106 0.03655  0.01504  -0.04729 764 LEU A CD2 
968  N N   . ILE A 170 ? 0.61126 0.60599 0.41275 -0.00912 0.04121  -0.03861 765 ILE A N   
969  C CA  . ILE A 170 ? 0.63059 0.59412 0.41897 -0.01485 0.03823  -0.04208 765 ILE A CA  
970  C C   . ILE A 170 ? 0.63297 0.61102 0.41064 -0.01867 0.04720  -0.04572 765 ILE A C   
971  O O   . ILE A 170 ? 0.63619 0.59968 0.40219 -0.02964 0.04661  -0.04734 765 ILE A O   
972  C CB  . ILE A 170 ? 0.65504 0.58699 0.43755 -0.00265 0.02812  -0.03873 765 ILE A CB  
973  C CG1 . ILE A 170 ? 0.66332 0.59804 0.47880 -0.00103 0.01867  -0.02037 765 ILE A CG1 
974  C CG2 . ILE A 170 ? 0.67243 0.55086 0.42496 -0.00627 0.01382  -0.04373 765 ILE A CG2 
975  C CD1 . ILE A 170 ? 0.68018 0.60836 0.51714 -0.01122 0.01326  -0.00405 765 ILE A CD1 
976  N N   . VAL A 171 ? 0.62650 0.63920 0.41443 -0.00747 0.05749  -0.03976 766 VAL A N   
977  C CA  . VAL A 171 ? 0.61453 0.65813 0.40831 -0.00570 0.07198  -0.02722 766 VAL A CA  
978  C C   . VAL A 171 ? 0.59741 0.65917 0.41489 -0.03468 0.06094  -0.02002 766 VAL A C   
979  O O   . VAL A 171 ? 0.58898 0.65453 0.40630 -0.04216 0.06699  -0.00981 766 VAL A O   
980  C CB  . VAL A 171 ? 0.60934 0.69997 0.42625 0.01311  0.08569  -0.01172 766 VAL A CB  
981  C CG1 . VAL A 171 ? 0.57649 0.71998 0.42160 0.01551  0.10416  0.01808  766 VAL A CG1 
982  C CG2 . VAL A 171 ? 0.61512 0.67077 0.39465 0.04693  0.09306  -0.02079 766 VAL A CG2 
983  N N   . ARG A 172 ? 0.58549 0.64882 0.41483 -0.04842 0.04090  -0.02470 767 ARG A N   
984  C CA  . ARG A 172 ? 0.56246 0.62076 0.40085 -0.07422 0.01744  -0.02097 767 ARG A CA  
985  C C   . ARG A 172 ? 0.57973 0.59584 0.39177 -0.08247 0.01512  -0.03235 767 ARG A C   
986  O O   . ARG A 172 ? 0.57279 0.58702 0.39528 -0.10318 0.00280  -0.02327 767 ARG A O   
987  C CB  . ARG A 172 ? 0.58850 0.63024 0.41446 -0.07556 -0.00889 -0.03011 767 ARG A CB  
988  C CG  . ARG A 172 ? 0.60140 0.61996 0.42603 -0.10048 -0.04869 -0.02680 767 ARG A CG  
989  C CD  . ARG A 172 ? 0.65347 0.62651 0.43077 -0.08963 -0.07901 -0.04334 767 ARG A CD  
990  N NE  . ARG A 172 ? 0.60775 0.61383 0.40658 -0.08510 -0.08613 -0.03325 767 ARG A NE  
991  C CZ  . ARG A 172 ? 0.64484 0.61468 0.39845 -0.07114 -0.11198 -0.04466 767 ARG A CZ  
992  N NH1 . ARG A 172 ? 0.70255 0.59838 0.37739 -0.05287 -0.12993 -0.06664 767 ARG A NH1 
993  N NH2 . ARG A 172 ? 0.63491 0.63959 0.41518 -0.06970 -0.11931 -0.03233 767 ARG A NH2 
994  N N   . ILE A 173 ? 0.58802 0.57313 0.37492 -0.06840 0.02385  -0.04576 768 ILE A N   
995  C CA  . ILE A 173 ? 0.61349 0.56231 0.38278 -0.07506 0.02058  -0.05172 768 ILE A CA  
996  C C   . ILE A 173 ? 0.64970 0.59727 0.41616 -0.08052 0.02999  -0.04551 768 ILE A C   
997  O O   . ILE A 173 ? 0.64875 0.58432 0.41255 -0.09613 0.02391  -0.04264 768 ILE A O   
998  C CB  . ILE A 173 ? 0.63718 0.56501 0.39913 -0.05911 0.02471  -0.05384 768 ILE A CB  
999  C CG1 . ILE A 173 ? 0.62005 0.54719 0.37110 -0.04393 0.02186  -0.05518 768 ILE A CG1 
1000 C CG2 . ILE A 173 ? 0.63601 0.53352 0.39214 -0.06550 0.02173  -0.05205 768 ILE A CG2 
1001 C CD1 . ILE A 173 ? 0.57178 0.49712 0.33007 -0.02288 0.03298  -0.04166 768 ILE A CD1 
1002 N N   . LEU A 174 ? 0.64024 0.59254 0.39723 -0.06277 0.04382  -0.04304 769 LEU A N   
1003 C CA  . LEU A 174 ? 0.66438 0.60049 0.39336 -0.05430 0.05406  -0.03859 769 LEU A CA  
1004 C C   . LEU A 174 ? 0.64948 0.63209 0.39845 -0.05804 0.06948  -0.01524 769 LEU A C   
1005 O O   . LEU A 174 ? 0.71059 0.68299 0.43711 -0.05381 0.07928  -0.00609 769 LEU A O   
1006 C CB  . LEU A 174 ? 0.68958 0.59813 0.38205 -0.02432 0.05911  -0.04451 769 LEU A CB  
1007 C CG  . LEU A 174 ? 0.69317 0.55853 0.38252 -0.02558 0.03610  -0.05510 769 LEU A CG  
1008 C CD1 . LEU A 174 ? 0.72394 0.54993 0.37500 0.00204  0.02961  -0.06041 769 LEU A CD1 
1009 C CD2 . LEU A 174 ? 0.72377 0.54575 0.40274 -0.04101 0.01729  -0.05677 769 LEU A CD2 
1010 N N   . LYS A 175 ? 0.59731 0.63281 0.39245 -0.06570 0.06970  0.00142  770 LYS A N   
1011 C CA  . LYS A 175 ? 0.60166 0.69195 0.44002 -0.07603 0.07823  0.03878  770 LYS A CA  
1012 C C   . LYS A 175 ? 0.61342 0.68542 0.45943 -0.10641 0.05979  0.04335  770 LYS A C   
1013 O O   . LYS A 175 ? 0.61541 0.72377 0.48939 -0.11254 0.07046  0.07867  770 LYS A O   
1014 C CB  . LYS A 175 ? 0.52404 0.66771 0.42317 -0.08944 0.06512  0.06045  770 LYS A CB  
1015 N N   . ASN A 176 ? 0.64617 0.66453 0.46856 -0.12101 0.03511  0.01335  771 ASN A N   
1016 C CA  . ASN A 176 ? 0.66772 0.65623 0.48817 -0.14542 0.01529  0.01288  771 ASN A CA  
1017 C C   . ASN A 176 ? 0.69352 0.65854 0.48072 -0.13706 0.03198  0.01224  771 ASN A C   
1018 O O   . ASN A 176 ? 0.69308 0.64794 0.48711 -0.15663 0.02161  0.02289  771 ASN A O   
1019 C CB  . ASN A 176 ? 0.68686 0.62381 0.48238 -0.14947 -0.00982 -0.01657 771 ASN A CB  
1020 C CG  . ASN A 176 ? 0.79308 0.69919 0.59198 -0.17477 -0.04418 -0.01411 771 ASN A CG  
1021 O OD1 . ASN A 176 ? 0.85623 0.71760 0.62741 -0.17565 -0.05063 -0.02714 771 ASN A OD1 
1022 N ND2 . ASN A 176 ? 0.73448 0.66028 0.57010 -0.19638 -0.07212 0.00651  771 ASN A ND2 
1023 N N   . TYR A 177 ? 0.67985 0.62556 0.42580 -0.10887 0.05039  -0.00005 772 TYR A N   
1024 C CA  . TYR A 177 ? 0.70227 0.60492 0.40109 -0.09944 0.05434  -0.00517 772 TYR A CA  
1025 C C   . TYR A 177 ? 0.74396 0.65474 0.40277 -0.06544 0.08282  0.01120  772 TYR A C   
1026 O O   . TYR A 177 ? 0.78513 0.65387 0.39105 -0.05335 0.08450  0.00977  772 TYR A O   
1027 C CB  . TYR A 177 ? 0.74059 0.58700 0.41075 -0.09400 0.03688  -0.03122 772 TYR A CB  
1028 C CG  . TYR A 177 ? 0.71464 0.55419 0.41467 -0.11327 0.01898  -0.04002 772 TYR A CG  
1029 C CD1 . TYR A 177 ? 0.73612 0.54966 0.43569 -0.12879 0.00655  -0.04020 772 TYR A CD1 
1030 C CD2 . TYR A 177 ? 0.71975 0.57646 0.44047 -0.10880 0.01725  -0.04593 772 TYR A CD2 
1031 C CE1 . TYR A 177 ? 0.75450 0.55704 0.46867 -0.13336 -0.00425 -0.04574 772 TYR A CE1 
1032 C CE2 . TYR A 177 ? 0.72946 0.57417 0.45947 -0.11228 0.00684  -0.05123 772 TYR A CE2 
1033 C CZ  . TYR A 177 ? 0.76555 0.58212 0.48979 -0.12159 -0.00237 -0.05090 772 TYR A CZ  
1034 O OH  . TYR A 177 ? 0.79396 0.59358 0.51490 -0.11252 -0.00747 -0.05388 772 TYR A OH  
1035 N N   . GLU A 178 ? 0.72426 0.68403 0.39944 -0.04386 0.10592  0.02886  773 GLU A N   
1036 C CA  . GLU A 178 ? 0.75285 0.72448 0.38301 0.00110  0.14193  0.05236  773 GLU A CA  
1037 C C   . GLU A 178 ? 0.74244 0.79330 0.42263 0.01902  0.16933  0.08495  773 GLU A C   
1038 O O   . GLU A 178 ? 0.75583 0.82531 0.47685 0.00489  0.15538  0.07426  773 GLU A O   
1039 C CB  . GLU A 178 ? 0.82325 0.70533 0.35020 0.04080  0.13633  0.02082  773 GLU A CB  
1040 C CG  . GLU A 178 ? 0.83395 0.68836 0.35785 0.04516  0.11747  -0.00661 773 GLU A CG  
1041 C CD  . GLU A 178 ? 0.90990 0.67501 0.32951 0.09273  0.10921  -0.02760 773 GLU A CD  
1042 O OE1 . GLU A 178 ? 0.97338 0.67224 0.30944 0.11594  0.10428  -0.03252 773 GLU A OE1 
1043 O OE2 . GLU A 178 ? 0.92459 0.67655 0.33824 0.10889  0.10292  -0.03928 773 GLU A OE2 
1044 N N   . ASP A 179 ? 0.77930 0.87981 0.45686 0.05418  0.21035  0.13017  774 ASP A N   
1045 C CA  . ASP A 179 ? 0.76282 0.95293 0.50166 0.07521  0.24105  0.17543  774 ASP A CA  
1046 C C   . ASP A 179 ? 0.82679 0.98304 0.49782 0.13005  0.25849  0.15251  774 ASP A C   
1047 O O   . ASP A 179 ? 0.97153 1.09052 0.56782 0.18785  0.28132  0.15162  774 ASP A O   
1048 C CB  . ASP A 179 ? 0.79834 1.06706 0.56953 0.10007  0.28555  0.24647  774 ASP A CB  
1049 C CG  . ASP A 179 ? 0.78496 1.09966 0.65120 0.03706  0.25964  0.28043  774 ASP A CG  
1050 O OD1 . ASP A 179 ? 0.77073 1.08070 0.69753 -0.02032 0.21105  0.26101  774 ASP A OD1 
1051 O OD2 . ASP A 179 ? 0.78731 1.13227 0.66068 0.04747  0.28313  0.32436  774 ASP A OD2 
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