data_9HSQ
# 
_entry.id   9HSQ 
# 
_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   9HSQ         pdb_00009hsq 10.2210/pdb9hsq/pdb 
WWPDB D_1292144147 ?            ?                   
# 
_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                        9HSQ 
_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 4-(aminomethyl)pyridin-2-amine
;
_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 '4-(aminomethyl)pyridin-2-amine'         123.156   2  ?        ? ? ?                                            
3 water       nat water                                    18.015    58 ?        ? ? ?                                            
# 
_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 '4-(aminomethyl)pyridin-2-amine' 9NN 
3 water                            HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
9NN non-polymer         . '4-(aminomethyl)pyridin-2-amine' ? 'C6 H9 N3'       123.156 
ALA 'L-peptide linking' y ALANINE                          ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                         ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                       ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                  ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                         ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                        ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                  ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                          ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                        ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                            ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                       ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                          ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                           ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                       ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                    ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                          ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                           ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                        ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                       ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                         ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                           ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 712 712 ILE ILE A . n 
A 1 136 PRO 136 713 713 PRO PRO A . n 
A 1 137 TYR 137 714 714 TYR TYR A . n 
A 1 138 ALA 138 733 ?   ?   ?   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 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        9NN 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   9NN 
_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 9NN 1  801 801 9NN LIG A . 
C 2 9NN 1  802 802 9NN LIG A . 
D 3 HOH 1  901 75  HOH HOH A . 
D 3 HOH 2  902 27  HOH HOH A . 
D 3 HOH 3  903 12  HOH HOH A . 
D 3 HOH 4  904 33  HOH HOH A . 
D 3 HOH 5  905 37  HOH HOH A . 
D 3 HOH 6  906 32  HOH HOH A . 
D 3 HOH 7  907 2   HOH HOH A . 
D 3 HOH 8  908 16  HOH HOH A . 
D 3 HOH 9  909 5   HOH HOH A . 
D 3 HOH 10 910 43  HOH HOH A . 
D 3 HOH 11 911 23  HOH HOH A . 
D 3 HOH 12 912 29  HOH HOH A . 
D 3 HOH 13 913 3   HOH HOH A . 
D 3 HOH 14 914 47  HOH HOH A . 
D 3 HOH 15 915 49  HOH HOH A . 
D 3 HOH 16 916 59  HOH HOH A . 
D 3 HOH 17 917 6   HOH HOH A . 
D 3 HOH 18 918 45  HOH HOH A . 
D 3 HOH 19 919 65  HOH HOH A . 
D 3 HOH 20 920 38  HOH HOH A . 
D 3 HOH 21 921 11  HOH HOH A . 
D 3 HOH 22 922 20  HOH HOH A . 
D 3 HOH 23 923 7   HOH HOH A . 
D 3 HOH 24 924 63  HOH HOH A . 
D 3 HOH 25 925 1   HOH HOH A . 
D 3 HOH 26 926 48  HOH HOH A . 
D 3 HOH 27 927 8   HOH HOH A . 
D 3 HOH 28 928 14  HOH HOH A . 
D 3 HOH 29 929 9   HOH HOH A . 
D 3 HOH 30 930 19  HOH HOH A . 
D 3 HOH 31 931 21  HOH HOH A . 
D 3 HOH 32 932 50  HOH HOH A . 
D 3 HOH 33 933 39  HOH HOH A . 
D 3 HOH 34 934 26  HOH HOH A . 
D 3 HOH 35 935 42  HOH HOH A . 
D 3 HOH 36 936 53  HOH HOH A . 
D 3 HOH 37 937 55  HOH HOH A . 
D 3 HOH 38 938 31  HOH HOH A . 
D 3 HOH 39 939 22  HOH HOH A . 
D 3 HOH 40 940 34  HOH HOH A . 
D 3 HOH 41 941 41  HOH HOH A . 
D 3 HOH 42 942 70  HOH HOH A . 
D 3 HOH 43 943 13  HOH HOH A . 
D 3 HOH 44 944 62  HOH HOH A . 
D 3 HOH 45 945 10  HOH HOH A . 
D 3 HOH 46 946 28  HOH HOH A . 
D 3 HOH 47 947 4   HOH HOH A . 
D 3 HOH 48 948 18  HOH HOH A . 
D 3 HOH 49 949 73  HOH HOH A . 
D 3 HOH 50 950 64  HOH HOH A . 
D 3 HOH 51 951 60  HOH HOH A . 
D 3 HOH 52 952 74  HOH HOH A . 
D 3 HOH 53 953 57  HOH HOH A . 
D 3 HOH 54 954 68  HOH HOH A . 
D 3 HOH 55 955 61  HOH HOH A . 
D 3 HOH 56 956 69  HOH HOH A . 
D 3 HOH 57 957 51  HOH HOH A . 
D 3 HOH 58 958 56  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 GLN 665 ? CG  ? A GLN 88  CG  
2  1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
3  1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
4  1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
5  1 Y 1 A ASP 711 ? CG  ? A ASP 134 CG  
6  1 Y 1 A ASP 711 ? OD1 ? A ASP 134 OD1 
7  1 Y 1 A ASP 711 ? OD2 ? A ASP 134 OD2 
8  1 Y 1 A ILE 712 ? CG1 ? A ILE 135 CG1 
9  1 Y 1 A ILE 712 ? CG2 ? A ILE 135 CG2 
10 1 Y 1 A ILE 712 ? CD1 ? A ILE 135 CD1 
11 1 Y 1 A PRO 713 ? CG  ? A PRO 136 CG  
12 1 Y 1 A PRO 713 ? CD  ? A PRO 136 CD  
13 1 Y 1 A TYR 714 ? CG  ? A TYR 137 CG  
14 1 Y 1 A TYR 714 ? CD1 ? A TYR 137 CD1 
15 1 Y 1 A TYR 714 ? CD2 ? A TYR 137 CD2 
16 1 Y 1 A TYR 714 ? CE1 ? A TYR 137 CE1 
17 1 Y 1 A TYR 714 ? CE2 ? A TYR 137 CE2 
18 1 Y 1 A TYR 714 ? CZ  ? A TYR 137 CZ  
19 1 Y 1 A TYR 714 ? OH  ? A TYR 137 OH  
20 1 Y 1 A ILE 740 ? CG1 ? A ILE 145 CG1 
21 1 Y 1 A ILE 740 ? CG2 ? A ILE 145 CG2 
22 1 Y 1 A ILE 740 ? CD1 ? A ILE 145 CD1 
23 1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
24 1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
25 1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
26 1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
27 1 Y 1 A ILE 765 ? CG1 ? A ILE 170 CG1 
28 1 Y 1 A ILE 765 ? CG2 ? A ILE 170 CG2 
29 1 Y 1 A ILE 765 ? CD1 ? A ILE 170 CD1 
30 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
31 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
32 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
33 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
34 1 Y 1 A ASN 771 ? CG  ? A ASN 176 CG  
35 1 Y 1 A ASN 771 ? OD1 ? A ASN 176 OD1 
36 1 Y 1 A ASN 771 ? ND2 ? A ASN 176 ND2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_software.compiler_name          ? 
_software.compiler_version       ? 
_software.contact_author         ? 
_software.contact_author_email   ? 
_software.date                   ? 
_software.description            ? 
_software.dependencies           ? 
_software.hardware               ? 
_software.language               ? 
_software.location               ? 
_software.mods                   ? 
_software.name                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.308 
_cell.length_a_esd                 ? 
_cell.length_b                     69.725 
_cell.length_b_esd                 ? 
_cell.length_c                     119.218 
_cell.length_c_esd                 ? 
_cell.volume                       418183.995 
_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                         9HSQ 
_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                   9HSQ 
_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             2.53 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          51.42 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-10 
_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   0.965459 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          43.34 
_reflns.entry_id                                       9HSQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.7696 
_reflns.d_resolution_low                               46.3502 
_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                                     36281 
_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                           91.84 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          1.32 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.7696 
_reflns_shell.d_res_low                                     1.8586 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1263 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.296 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               56.08 
_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                                 9HSQ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.77 
_refine.ls_d_res_low                             46.35 
_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                     36281 
_refine.ls_number_reflns_R_free                  1824 
_refine.ls_number_reflns_R_work                  34457 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    91.69 
_refine.ls_percent_reflns_R_free                 5.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2143 
_refine.ls_R_factor_R_free                       0.2312 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2134 
_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                          1.87 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 33.2423 
_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                            0.3007 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.77 
_refine_hist.d_res_low                        46.35 
_refine_hist.number_atoms_solvent             58 
_refine_hist.number_atoms_total               1134 
_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        1058 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         18 
_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' ? 0.0074 ? 1097 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8031 ? 1485 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0637 ? 171  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0054 ? 182  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 8.6837 ? 146  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.77 1.82  . . 138 2488 86.15 . . . . 0.4861 . . . . . . . . . . . 0.4702 
'X-RAY DIFFRACTION' 1.82 1.87  . . 151 2760 94.91 . . . . 0.3962 . . . . . . . . . . . 0.4263 
'X-RAY DIFFRACTION' 1.87 1.93  . . 144 2738 94.34 . . . . 0.4113 . . . . . . . . . . . 0.4403 
'X-RAY DIFFRACTION' 1.93 2.00  . . 136 2659 92.21 . . . . 0.3174 . . . . . . . . . . . 0.3418 
'X-RAY DIFFRACTION' 2.00 2.08  . . 142 2640 92.43 . . . . 0.2786 . . . . . . . . . . . 0.3114 
'X-RAY DIFFRACTION' 2.08 2.18  . . 145 2731 93.80 . . . . 0.2410 . . . . . . . . . . . 0.2694 
'X-RAY DIFFRACTION' 2.18 2.29  . . 147 2705 93.45 . . . . 0.2488 . . . . . . . . . . . 0.2572 
'X-RAY DIFFRACTION' 2.29 2.43  . . 139 2628 91.80 . . . . 0.2286 . . . . . . . . . . . 0.2558 
'X-RAY DIFFRACTION' 2.43 2.62  . . 142 2664 91.61 . . . . 0.2227 . . . . . . . . . . . 0.2734 
'X-RAY DIFFRACTION' 2.62 2.88  . . 140 2630 92.27 . . . . 0.2369 . . . . . . . . . . . 0.2725 
'X-RAY DIFFRACTION' 2.88 3.30  . . 137 2663 90.97 . . . . 0.2186 . . . . . . . . . . . 0.2289 
'X-RAY DIFFRACTION' 3.30 4.16  . . 133 2574 89.64 . . . . 0.1874 . . . . . . . . . . . 0.1976 
'X-RAY DIFFRACTION' 4.16 46.35 . . 130 2577 88.58 . . . . 0.1737 . . . . . . . . . . . 0.1813 
# 
_struct.entry_id                     9HSQ 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-(aminomethyl)pyridin-2-amine
;
_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        9HSQ 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSQ 
_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 9HSQ GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSQ HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSQ MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSQ ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSQ ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSQ ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSQ ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSQ ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSQ ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSQ ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSQ ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSQ ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSQ ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSQ ?   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)' 2040  ? 
1 MORE         -7    ? 
1 'SSA (A^2)'  14100 ? 
# 
_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 -69.7250000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       0.66 
# 
_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 TYR A 129 ? O TYR A 706 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSQ 
_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 H6 A 9NN 801 ? ? O A HOH 901 ? ? 1.52 
2 1 O  A HOH 919 ? ? O A HOH 924 ? ? 2.12 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    LYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     770 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -74.97 
_pdbx_validate_torsion.psi             33.94 
# 
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 -2.60457161035 -23.9522100425 -21.9035599108 0.340009071941 ? 0.0116655124887   ? 0.0361785811356  
? 0.364283139318 ? -0.0210016157366  ? 0.360928034304 ? 6.34925844261 ? 0.0304111465303 ? 2.13920066924 ? 3.74550335822 ? 
-0.507721204931 ? 3.77942300204 ? -0.00773070223583 ? -0.635146735005 ? 0.24069869458   ? 0.327589528711 ? -0.10145158434   ? 
-0.132752806807  ? -0.149229739172 ? -0.0965235009289 ? 0.0926667316918 ? 
2 'X-RAY DIFFRACTION' ? refined -3.92303492381 -17.1622013484 -27.9871440622 0.31023080588  ? -0.00684201466398 ? 0.0507002399799  
? 0.345978662432 ? -0.00976971282284 ? 0.344487742536 ? 7.47616362627 ? -1.05772652562  ? 3.16148426878 ? 7.91065550328 ? 
0.306088731348  ? 3.81497508338 ? -0.0823073080946  ? 0.026540595122  ? 0.7014250246    ? 0.034894625575 ? -0.26355525125   ? 
-0.0661669438301 ? -0.33103592835  ? -0.0347023515423 ? 0.357845378427  ? 
3 'X-RAY DIFFRACTION' ? refined -15.6288179441 -11.7962585056 -22.3533361719 0.755983978894 ? -0.0325845578323  ? -0.0229496205621 
? 0.7027717781   ? -0.197866605231   ? 0.611565383476 ? 9.13795399408 ? -2.80753760282  ? 3.96225405734 ? 3.10402920615 ? 
-3.1060147048   ? 3.30872753779 ? -0.529311227107   ? -1.11517998591  ? 1.00224731753   ? 1.55247915557  ? -0.0799951996693 ? 
-0.263308781067  ? -0.405534168831 ? -0.235750296619  ? 0.748010378326  ? 
4 'X-RAY DIFFRACTION' ? refined -14.2158897222 -24.0487677599 -21.7007605655 0.633821782853 ? -0.00648588872539 ? 0.133919462571   
? 0.6153290401   ? -0.0713095785589  ? 0.563883298383 ? 4.61729191004 ? -4.45891036238  ? 3.89849961125 ? 8.33840008168 ? 
-5.71440963815  ? 4.33159218495 ? -0.41364412571    ? -0.844660793711 ? -0.124363118562 ? 0.692626486354 ? 0.263726669337   ? 
0.456176006087   ? 0.34741943595   ? -0.59841994909   ? 0.246266181471  ? 
5 'X-RAY DIFFRACTION' ? refined -5.3090148247  -39.3876490112 -2.67151465574 0.941930953031 ? -0.330205558454   ? 0.0229024705304  
? 0.938717998155 ? -0.208849916786   ? 0.689095593061 ? 2.93021961906 ? 0.608713809835  ? 3.84301890253 ? 1.16224392817 ? 
0.758907821279  ? 7.3542417146  ? 0.302150106396    ? -0.063651598035 ? 0.189056728014  ? 0.64304202883  ? -0.543001424071  ? 
0.255858669378   ? 1.56438015823   ? -1.36504448847   ? 0.473806061244  ? 
# 
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 64  A 679 ? ? 
;chain 'A' and (resid 616 through 679 )
;
2 'X-RAY DIFFRACTION' 2 A 65  A 680 ? A 95  A 710 ? ? 
;chain 'A' and (resid 680 through 710 )
;
3 'X-RAY DIFFRACTION' 3 A 96  A 711 ? A 107 A 746 ? ? 
;chain 'A' and (resid 711 through 746 )
;
4 'X-RAY DIFFRACTION' 4 A 108 A 747 ? A 121 A 760 ? ? 
;chain 'A' and (resid 747 through 760 )
;
5 'X-RAY DIFFRACTION' 5 A 122 A 761 ? A 133 A 772 ? ? 
;chain 'A' and (resid 761 through 772 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ALA 733 ? A ALA 138 
40 1 Y 1 A ASN 734 ? A ASN 139 
41 1 Y 1 A ASN 735 ? A ASN 140 
42 1 Y 1 A GLN 736 ? A GLN 141 
43 1 Y 1 A LYS 737 ? A LYS 142 
44 1 Y 1 A GLU 738 ? A GLU 143 
45 1 Y 1 A GLU 773 ? A GLU 178 
46 1 Y 1 A ASP 774 ? A ASP 179 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
9NN C02  C N N 1   
9NN C03  C Y N 2   
9NN C04  C Y N 3   
9NN C05  C Y N 4   
9NN C07  C Y N 5   
9NN C08  C Y N 6   
9NN N01  N N N 7   
9NN N06  N Y N 8   
9NN N09  N N N 9   
9NN H1   H N N 10  
9NN H2   H N N 11  
9NN H3   H N N 12  
9NN H4   H N N 13  
9NN H5   H N N 14  
9NN H6   H N N 15  
9NN H7   H N N 16  
9NN H9   H N N 17  
9NN H10  H N N 18  
ALA N    N N N 19  
ALA CA   C N S 20  
ALA C    C N N 21  
ALA O    O N N 22  
ALA CB   C N N 23  
ALA OXT  O N N 24  
ALA H    H N N 25  
ALA H2   H N N 26  
ALA HA   H N N 27  
ALA HB1  H N N 28  
ALA HB2  H N N 29  
ALA HB3  H N N 30  
ALA HXT  H N N 31  
ARG N    N N N 32  
ARG CA   C N S 33  
ARG C    C N N 34  
ARG O    O N N 35  
ARG CB   C N N 36  
ARG CG   C N N 37  
ARG CD   C N N 38  
ARG NE   N N N 39  
ARG CZ   C N N 40  
ARG NH1  N N N 41  
ARG NH2  N N N 42  
ARG OXT  O N N 43  
ARG H    H N N 44  
ARG H2   H N N 45  
ARG HA   H N N 46  
ARG HB2  H N N 47  
ARG HB3  H N N 48  
ARG HG2  H N N 49  
ARG HG3  H N N 50  
ARG HD2  H N N 51  
ARG HD3  H N N 52  
ARG HE   H N N 53  
ARG HH11 H N N 54  
ARG HH12 H N N 55  
ARG HH21 H N N 56  
ARG HH22 H N N 57  
ARG HXT  H N N 58  
ASN N    N N N 59  
ASN CA   C N S 60  
ASN C    C N N 61  
ASN O    O N N 62  
ASN CB   C N N 63  
ASN CG   C N N 64  
ASN OD1  O N N 65  
ASN ND2  N N N 66  
ASN OXT  O N N 67  
ASN H    H N N 68  
ASN H2   H N N 69  
ASN HA   H N N 70  
ASN HB2  H N N 71  
ASN HB3  H N N 72  
ASN HD21 H N N 73  
ASN HD22 H N N 74  
ASN HXT  H N N 75  
ASP N    N N N 76  
ASP CA   C N S 77  
ASP C    C N N 78  
ASP O    O N N 79  
ASP CB   C N N 80  
ASP CG   C N N 81  
ASP OD1  O N N 82  
ASP OD2  O N N 83  
ASP OXT  O N N 84  
ASP H    H N N 85  
ASP H2   H N N 86  
ASP HA   H N N 87  
ASP HB2  H N N 88  
ASP HB3  H N N 89  
ASP HD2  H N N 90  
ASP HXT  H N N 91  
CYS N    N N N 92  
CYS CA   C N R 93  
CYS C    C N N 94  
CYS O    O N N 95  
CYS CB   C N N 96  
CYS SG   S N N 97  
CYS OXT  O N N 98  
CYS H    H N N 99  
CYS H2   H N N 100 
CYS HA   H N N 101 
CYS HB2  H N N 102 
CYS HB3  H N N 103 
CYS HG   H N N 104 
CYS HXT  H N N 105 
GLN N    N N N 106 
GLN CA   C N S 107 
GLN C    C N N 108 
GLN O    O N N 109 
GLN CB   C N N 110 
GLN CG   C N N 111 
GLN CD   C N N 112 
GLN OE1  O N N 113 
GLN NE2  N N N 114 
GLN OXT  O N N 115 
GLN H    H N N 116 
GLN H2   H N N 117 
GLN HA   H N N 118 
GLN HB2  H N N 119 
GLN HB3  H N N 120 
GLN HG2  H N N 121 
GLN HG3  H N N 122 
GLN HE21 H N N 123 
GLN HE22 H N N 124 
GLN HXT  H N N 125 
GLU N    N N N 126 
GLU CA   C N S 127 
GLU C    C N N 128 
GLU O    O N N 129 
GLU CB   C N N 130 
GLU CG   C N N 131 
GLU CD   C N N 132 
GLU OE1  O N N 133 
GLU OE2  O N N 134 
GLU OXT  O N N 135 
GLU H    H N N 136 
GLU H2   H N N 137 
GLU HA   H N N 138 
GLU HB2  H N N 139 
GLU HB3  H N N 140 
GLU HG2  H N N 141 
GLU HG3  H N N 142 
GLU HE2  H N N 143 
GLU HXT  H N N 144 
GLY N    N N N 145 
GLY CA   C N N 146 
GLY C    C N N 147 
GLY O    O N N 148 
GLY OXT  O N N 149 
GLY H    H N N 150 
GLY H2   H N N 151 
GLY HA2  H N N 152 
GLY HA3  H N N 153 
GLY HXT  H N N 154 
HIS N    N N N 155 
HIS CA   C N S 156 
HIS C    C N N 157 
HIS O    O N N 158 
HIS CB   C N N 159 
HIS CG   C Y N 160 
HIS ND1  N Y N 161 
HIS CD2  C Y N 162 
HIS CE1  C Y N 163 
HIS NE2  N Y N 164 
HIS OXT  O N N 165 
HIS H    H N N 166 
HIS H2   H N N 167 
HIS HA   H N N 168 
HIS HB2  H N N 169 
HIS HB3  H N N 170 
HIS HD1  H N N 171 
HIS HD2  H N N 172 
HIS HE1  H N N 173 
HIS HE2  H N N 174 
HIS HXT  H N N 175 
HOH O    O N N 176 
HOH H1   H N N 177 
HOH H2   H N N 178 
ILE N    N N N 179 
ILE CA   C N S 180 
ILE C    C N N 181 
ILE O    O N N 182 
ILE CB   C N S 183 
ILE CG1  C N N 184 
ILE CG2  C N N 185 
ILE CD1  C N N 186 
ILE OXT  O N N 187 
ILE H    H N N 188 
ILE H2   H N N 189 
ILE HA   H N N 190 
ILE HB   H N N 191 
ILE HG12 H N N 192 
ILE HG13 H N N 193 
ILE HG21 H N N 194 
ILE HG22 H N N 195 
ILE HG23 H N N 196 
ILE HD11 H N N 197 
ILE HD12 H N N 198 
ILE HD13 H N N 199 
ILE HXT  H N N 200 
LEU N    N N N 201 
LEU CA   C N S 202 
LEU C    C N N 203 
LEU O    O N N 204 
LEU CB   C N N 205 
LEU CG   C N N 206 
LEU CD1  C N N 207 
LEU CD2  C N N 208 
LEU OXT  O N N 209 
LEU H    H N N 210 
LEU H2   H N N 211 
LEU HA   H N N 212 
LEU HB2  H N N 213 
LEU HB3  H N N 214 
LEU HG   H N N 215 
LEU HD11 H N N 216 
LEU HD12 H N N 217 
LEU HD13 H N N 218 
LEU HD21 H N N 219 
LEU HD22 H N N 220 
LEU HD23 H N N 221 
LEU HXT  H N N 222 
LYS N    N N N 223 
LYS CA   C N S 224 
LYS C    C N N 225 
LYS O    O N N 226 
LYS CB   C N N 227 
LYS CG   C N N 228 
LYS CD   C N N 229 
LYS CE   C N N 230 
LYS NZ   N N N 231 
LYS OXT  O N N 232 
LYS H    H N N 233 
LYS H2   H N N 234 
LYS HA   H N N 235 
LYS HB2  H N N 236 
LYS HB3  H N N 237 
LYS HG2  H N N 238 
LYS HG3  H N N 239 
LYS HD2  H N N 240 
LYS HD3  H N N 241 
LYS HE2  H N N 242 
LYS HE3  H N N 243 
LYS HZ1  H N N 244 
LYS HZ2  H N N 245 
LYS HZ3  H N N 246 
LYS HXT  H N N 247 
MET N    N N N 248 
MET CA   C N S 249 
MET C    C N N 250 
MET O    O N N 251 
MET CB   C N N 252 
MET CG   C N N 253 
MET SD   S N N 254 
MET CE   C N N 255 
MET OXT  O N N 256 
MET H    H N N 257 
MET H2   H N N 258 
MET HA   H N N 259 
MET HB2  H N N 260 
MET HB3  H N N 261 
MET HG2  H N N 262 
MET HG3  H N N 263 
MET HE1  H N N 264 
MET HE2  H N N 265 
MET HE3  H N N 266 
MET HXT  H N N 267 
PHE N    N N N 268 
PHE CA   C N S 269 
PHE C    C N N 270 
PHE O    O N N 271 
PHE CB   C N N 272 
PHE CG   C Y N 273 
PHE CD1  C Y N 274 
PHE CD2  C Y N 275 
PHE CE1  C Y N 276 
PHE CE2  C Y N 277 
PHE CZ   C Y N 278 
PHE OXT  O N N 279 
PHE H    H N N 280 
PHE H2   H N N 281 
PHE HA   H N N 282 
PHE HB2  H N N 283 
PHE HB3  H N N 284 
PHE HD1  H N N 285 
PHE HD2  H N N 286 
PHE HE1  H N N 287 
PHE HE2  H N N 288 
PHE HZ   H N N 289 
PHE HXT  H N N 290 
PRO N    N N N 291 
PRO CA   C N S 292 
PRO C    C N N 293 
PRO O    O N N 294 
PRO CB   C N N 295 
PRO CG   C N N 296 
PRO CD   C N N 297 
PRO OXT  O N N 298 
PRO H    H N N 299 
PRO HA   H N N 300 
PRO HB2  H N N 301 
PRO HB3  H N N 302 
PRO HG2  H N N 303 
PRO HG3  H N N 304 
PRO HD2  H N N 305 
PRO HD3  H N N 306 
PRO HXT  H N N 307 
SER N    N N N 308 
SER CA   C N S 309 
SER C    C N N 310 
SER O    O N N 311 
SER CB   C N N 312 
SER OG   O N N 313 
SER OXT  O N N 314 
SER H    H N N 315 
SER H2   H N N 316 
SER HA   H N N 317 
SER HB2  H N N 318 
SER HB3  H N N 319 
SER HG   H N N 320 
SER HXT  H N N 321 
THR N    N N N 322 
THR CA   C N S 323 
THR C    C N N 324 
THR O    O N N 325 
THR CB   C N R 326 
THR OG1  O N N 327 
THR CG2  C N N 328 
THR OXT  O N N 329 
THR H    H N N 330 
THR H2   H N N 331 
THR HA   H N N 332 
THR HB   H N N 333 
THR HG1  H N N 334 
THR HG21 H N N 335 
THR HG22 H N N 336 
THR HG23 H N N 337 
THR HXT  H N N 338 
TRP N    N N N 339 
TRP CA   C N S 340 
TRP C    C N N 341 
TRP O    O N N 342 
TRP CB   C N N 343 
TRP CG   C Y N 344 
TRP CD1  C Y N 345 
TRP CD2  C Y N 346 
TRP NE1  N Y N 347 
TRP CE2  C Y N 348 
TRP CE3  C Y N 349 
TRP CZ2  C Y N 350 
TRP CZ3  C Y N 351 
TRP CH2  C Y N 352 
TRP OXT  O N N 353 
TRP H    H N N 354 
TRP H2   H N N 355 
TRP HA   H N N 356 
TRP HB2  H N N 357 
TRP HB3  H N N 358 
TRP HD1  H N N 359 
TRP HE1  H N N 360 
TRP HE3  H N N 361 
TRP HZ2  H N N 362 
TRP HZ3  H N N 363 
TRP HH2  H N N 364 
TRP HXT  H N N 365 
TYR N    N N N 366 
TYR CA   C N S 367 
TYR C    C N N 368 
TYR O    O N N 369 
TYR CB   C N N 370 
TYR CG   C Y N 371 
TYR CD1  C Y N 372 
TYR CD2  C Y N 373 
TYR CE1  C Y N 374 
TYR CE2  C Y N 375 
TYR CZ   C Y N 376 
TYR OH   O N N 377 
TYR OXT  O N N 378 
TYR H    H N N 379 
TYR H2   H N N 380 
TYR HA   H N N 381 
TYR HB2  H N N 382 
TYR HB3  H N N 383 
TYR HD1  H N N 384 
TYR HD2  H N N 385 
TYR HE1  H N N 386 
TYR HE2  H N N 387 
TYR HH   H N N 388 
TYR HXT  H N N 389 
VAL N    N N N 390 
VAL CA   C N S 391 
VAL C    C N N 392 
VAL O    O N N 393 
VAL CB   C N N 394 
VAL CG1  C N N 395 
VAL CG2  C N N 396 
VAL OXT  O N N 397 
VAL H    H N N 398 
VAL H2   H N N 399 
VAL HA   H N N 400 
VAL HB   H N N 401 
VAL HG11 H N N 402 
VAL HG12 H N N 403 
VAL HG13 H N N 404 
VAL HG21 H N N 405 
VAL HG22 H N N 406 
VAL HG23 H N N 407 
VAL HXT  H N N 408 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
9NN N01 C02  sing N N 1   
9NN C02 C03  sing N N 2   
9NN C03 C08  doub Y N 3   
9NN C03 C04  sing Y N 4   
9NN C08 C07  sing Y N 5   
9NN C04 C05  doub Y N 6   
9NN C07 N09  sing N N 7   
9NN C07 N06  doub Y N 8   
9NN C05 N06  sing Y N 9   
9NN C02 H1   sing N N 10  
9NN C02 H2   sing N N 11  
9NN C04 H3   sing N N 12  
9NN C05 H4   sing N N 13  
9NN C08 H5   sing N N 14  
9NN N01 H6   sing N N 15  
9NN N01 H7   sing N N 16  
9NN N09 H9   sing N N 17  
9NN N09 H10  sing N N 18  
ALA N   CA   sing N N 19  
ALA N   H    sing N N 20  
ALA N   H2   sing N N 21  
ALA CA  C    sing N N 22  
ALA CA  CB   sing N N 23  
ALA CA  HA   sing N N 24  
ALA C   O    doub N N 25  
ALA C   OXT  sing N N 26  
ALA CB  HB1  sing N N 27  
ALA CB  HB2  sing N N 28  
ALA CB  HB3  sing N N 29  
ALA OXT HXT  sing N N 30  
ARG N   CA   sing N N 31  
ARG N   H    sing N N 32  
ARG N   H2   sing N N 33  
ARG CA  C    sing N N 34  
ARG CA  CB   sing N N 35  
ARG CA  HA   sing N N 36  
ARG C   O    doub N N 37  
ARG C   OXT  sing N N 38  
ARG CB  CG   sing N N 39  
ARG CB  HB2  sing N N 40  
ARG CB  HB3  sing N N 41  
ARG CG  CD   sing N N 42  
ARG CG  HG2  sing N N 43  
ARG CG  HG3  sing N N 44  
ARG CD  NE   sing N N 45  
ARG CD  HD2  sing N N 46  
ARG CD  HD3  sing N N 47  
ARG NE  CZ   sing N N 48  
ARG NE  HE   sing N N 49  
ARG CZ  NH1  sing N N 50  
ARG CZ  NH2  doub N N 51  
ARG NH1 HH11 sing N N 52  
ARG NH1 HH12 sing N N 53  
ARG NH2 HH21 sing N N 54  
ARG NH2 HH22 sing N N 55  
ARG OXT HXT  sing N N 56  
ASN N   CA   sing N N 57  
ASN N   H    sing N N 58  
ASN N   H2   sing N N 59  
ASN CA  C    sing N N 60  
ASN CA  CB   sing N N 61  
ASN CA  HA   sing N N 62  
ASN C   O    doub N N 63  
ASN C   OXT  sing N N 64  
ASN CB  CG   sing N N 65  
ASN CB  HB2  sing N N 66  
ASN CB  HB3  sing N N 67  
ASN CG  OD1  doub N N 68  
ASN CG  ND2  sing N N 69  
ASN ND2 HD21 sing N N 70  
ASN ND2 HD22 sing N N 71  
ASN OXT HXT  sing N N 72  
ASP N   CA   sing N N 73  
ASP N   H    sing N N 74  
ASP N   H2   sing N N 75  
ASP CA  C    sing N N 76  
ASP CA  CB   sing N N 77  
ASP CA  HA   sing N N 78  
ASP C   O    doub N N 79  
ASP C   OXT  sing N N 80  
ASP CB  CG   sing N N 81  
ASP CB  HB2  sing N N 82  
ASP CB  HB3  sing N N 83  
ASP CG  OD1  doub N N 84  
ASP CG  OD2  sing N N 85  
ASP OD2 HD2  sing N N 86  
ASP OXT HXT  sing N N 87  
CYS N   CA   sing N N 88  
CYS N   H    sing N N 89  
CYS N   H2   sing N N 90  
CYS CA  C    sing N N 91  
CYS CA  CB   sing N N 92  
CYS CA  HA   sing N N 93  
CYS C   O    doub N N 94  
CYS C   OXT  sing N N 95  
CYS CB  SG   sing N N 96  
CYS CB  HB2  sing N N 97  
CYS CB  HB3  sing N N 98  
CYS SG  HG   sing N N 99  
CYS OXT HXT  sing N N 100 
GLN N   CA   sing N N 101 
GLN N   H    sing N N 102 
GLN N   H2   sing N N 103 
GLN CA  C    sing N N 104 
GLN CA  CB   sing N N 105 
GLN CA  HA   sing N N 106 
GLN C   O    doub N N 107 
GLN C   OXT  sing N N 108 
GLN CB  CG   sing N N 109 
GLN CB  HB2  sing N N 110 
GLN CB  HB3  sing N N 111 
GLN CG  CD   sing N N 112 
GLN CG  HG2  sing N N 113 
GLN CG  HG3  sing N N 114 
GLN CD  OE1  doub N N 115 
GLN CD  NE2  sing N N 116 
GLN NE2 HE21 sing N N 117 
GLN NE2 HE22 sing N N 118 
GLN OXT HXT  sing N N 119 
GLU N   CA   sing N N 120 
GLU N   H    sing N N 121 
GLU N   H2   sing N N 122 
GLU CA  C    sing N N 123 
GLU CA  CB   sing N N 124 
GLU CA  HA   sing N N 125 
GLU C   O    doub N N 126 
GLU C   OXT  sing N N 127 
GLU CB  CG   sing N N 128 
GLU CB  HB2  sing N N 129 
GLU CB  HB3  sing N N 130 
GLU CG  CD   sing N N 131 
GLU CG  HG2  sing N N 132 
GLU CG  HG3  sing N N 133 
GLU CD  OE1  doub N N 134 
GLU CD  OE2  sing N N 135 
GLU OE2 HE2  sing N N 136 
GLU OXT HXT  sing N N 137 
GLY N   CA   sing N N 138 
GLY N   H    sing N N 139 
GLY N   H2   sing N N 140 
GLY CA  C    sing N N 141 
GLY CA  HA2  sing N N 142 
GLY CA  HA3  sing N N 143 
GLY C   O    doub N N 144 
GLY C   OXT  sing N N 145 
GLY OXT HXT  sing N N 146 
HIS N   CA   sing N N 147 
HIS N   H    sing N N 148 
HIS N   H2   sing N N 149 
HIS CA  C    sing N N 150 
HIS CA  CB   sing N N 151 
HIS CA  HA   sing N N 152 
HIS C   O    doub N N 153 
HIS C   OXT  sing N N 154 
HIS CB  CG   sing N N 155 
HIS CB  HB2  sing N N 156 
HIS CB  HB3  sing N N 157 
HIS CG  ND1  sing Y N 158 
HIS CG  CD2  doub Y N 159 
HIS ND1 CE1  doub Y N 160 
HIS ND1 HD1  sing N N 161 
HIS CD2 NE2  sing Y N 162 
HIS CD2 HD2  sing N N 163 
HIS CE1 NE2  sing Y N 164 
HIS CE1 HE1  sing N N 165 
HIS NE2 HE2  sing N N 166 
HIS OXT HXT  sing N N 167 
HOH O   H1   sing N N 168 
HOH O   H2   sing N N 169 
ILE N   CA   sing N N 170 
ILE N   H    sing N N 171 
ILE N   H2   sing N N 172 
ILE CA  C    sing N N 173 
ILE CA  CB   sing N N 174 
ILE CA  HA   sing N N 175 
ILE C   O    doub N N 176 
ILE C   OXT  sing N N 177 
ILE CB  CG1  sing N N 178 
ILE CB  CG2  sing N N 179 
ILE CB  HB   sing N N 180 
ILE CG1 CD1  sing N N 181 
ILE CG1 HG12 sing N N 182 
ILE CG1 HG13 sing N N 183 
ILE CG2 HG21 sing N N 184 
ILE CG2 HG22 sing N N 185 
ILE CG2 HG23 sing N N 186 
ILE CD1 HD11 sing N N 187 
ILE CD1 HD12 sing N N 188 
ILE CD1 HD13 sing N N 189 
ILE OXT HXT  sing N N 190 
LEU N   CA   sing N N 191 
LEU N   H    sing N N 192 
LEU N   H2   sing N N 193 
LEU CA  C    sing N N 194 
LEU CA  CB   sing N N 195 
LEU CA  HA   sing N N 196 
LEU C   O    doub N N 197 
LEU C   OXT  sing N N 198 
LEU CB  CG   sing N N 199 
LEU CB  HB2  sing N N 200 
LEU CB  HB3  sing N N 201 
LEU CG  CD1  sing N N 202 
LEU CG  CD2  sing N N 203 
LEU CG  HG   sing N N 204 
LEU CD1 HD11 sing N N 205 
LEU CD1 HD12 sing N N 206 
LEU CD1 HD13 sing N N 207 
LEU CD2 HD21 sing N N 208 
LEU CD2 HD22 sing N N 209 
LEU CD2 HD23 sing N N 210 
LEU OXT HXT  sing N N 211 
LYS N   CA   sing N N 212 
LYS N   H    sing N N 213 
LYS N   H2   sing N N 214 
LYS CA  C    sing N N 215 
LYS CA  CB   sing N N 216 
LYS CA  HA   sing N N 217 
LYS C   O    doub N N 218 
LYS C   OXT  sing N N 219 
LYS CB  CG   sing N N 220 
LYS CB  HB2  sing N N 221 
LYS CB  HB3  sing N N 222 
LYS CG  CD   sing N N 223 
LYS CG  HG2  sing N N 224 
LYS CG  HG3  sing N N 225 
LYS CD  CE   sing N N 226 
LYS CD  HD2  sing N N 227 
LYS CD  HD3  sing N N 228 
LYS CE  NZ   sing N N 229 
LYS CE  HE2  sing N N 230 
LYS CE  HE3  sing N N 231 
LYS NZ  HZ1  sing N N 232 
LYS NZ  HZ2  sing N N 233 
LYS NZ  HZ3  sing N N 234 
LYS OXT HXT  sing N N 235 
MET N   CA   sing N N 236 
MET N   H    sing N N 237 
MET N   H2   sing N N 238 
MET CA  C    sing N N 239 
MET CA  CB   sing N N 240 
MET CA  HA   sing N N 241 
MET C   O    doub N N 242 
MET C   OXT  sing N N 243 
MET CB  CG   sing N N 244 
MET CB  HB2  sing N N 245 
MET CB  HB3  sing N N 246 
MET CG  SD   sing N N 247 
MET CG  HG2  sing N N 248 
MET CG  HG3  sing N N 249 
MET SD  CE   sing N N 250 
MET CE  HE1  sing N N 251 
MET CE  HE2  sing N N 252 
MET CE  HE3  sing N N 253 
MET OXT HXT  sing N N 254 
PHE N   CA   sing N N 255 
PHE N   H    sing N N 256 
PHE N   H2   sing N N 257 
PHE CA  C    sing N N 258 
PHE CA  CB   sing N N 259 
PHE CA  HA   sing N N 260 
PHE C   O    doub N N 261 
PHE C   OXT  sing N N 262 
PHE CB  CG   sing N N 263 
PHE CB  HB2  sing N N 264 
PHE CB  HB3  sing N N 265 
PHE CG  CD1  doub Y N 266 
PHE CG  CD2  sing Y N 267 
PHE CD1 CE1  sing Y N 268 
PHE CD1 HD1  sing N N 269 
PHE CD2 CE2  doub Y N 270 
PHE CD2 HD2  sing N N 271 
PHE CE1 CZ   doub Y N 272 
PHE CE1 HE1  sing N N 273 
PHE CE2 CZ   sing Y N 274 
PHE CE2 HE2  sing N N 275 
PHE CZ  HZ   sing N N 276 
PHE OXT HXT  sing N N 277 
PRO N   CA   sing N N 278 
PRO N   CD   sing N N 279 
PRO N   H    sing N N 280 
PRO CA  C    sing N N 281 
PRO CA  CB   sing N N 282 
PRO CA  HA   sing N N 283 
PRO C   O    doub N N 284 
PRO C   OXT  sing N N 285 
PRO CB  CG   sing N N 286 
PRO CB  HB2  sing N N 287 
PRO CB  HB3  sing N N 288 
PRO CG  CD   sing N N 289 
PRO CG  HG2  sing N N 290 
PRO CG  HG3  sing N N 291 
PRO CD  HD2  sing N N 292 
PRO CD  HD3  sing N N 293 
PRO OXT HXT  sing N N 294 
SER N   CA   sing N N 295 
SER N   H    sing N N 296 
SER N   H2   sing N N 297 
SER CA  C    sing N N 298 
SER CA  CB   sing N N 299 
SER CA  HA   sing N N 300 
SER C   O    doub N N 301 
SER C   OXT  sing N N 302 
SER CB  OG   sing N N 303 
SER CB  HB2  sing N N 304 
SER CB  HB3  sing N N 305 
SER OG  HG   sing N N 306 
SER OXT HXT  sing N N 307 
THR N   CA   sing N N 308 
THR N   H    sing N N 309 
THR N   H2   sing N N 310 
THR CA  C    sing N N 311 
THR CA  CB   sing N N 312 
THR CA  HA   sing N N 313 
THR C   O    doub N N 314 
THR C   OXT  sing N N 315 
THR CB  OG1  sing N N 316 
THR CB  CG2  sing N N 317 
THR CB  HB   sing N N 318 
THR OG1 HG1  sing N N 319 
THR CG2 HG21 sing N N 320 
THR CG2 HG22 sing N N 321 
THR CG2 HG23 sing N N 322 
THR OXT HXT  sing N N 323 
TRP N   CA   sing N N 324 
TRP N   H    sing N N 325 
TRP N   H2   sing N N 326 
TRP CA  C    sing N N 327 
TRP CA  CB   sing N N 328 
TRP CA  HA   sing N N 329 
TRP C   O    doub N N 330 
TRP C   OXT  sing N N 331 
TRP CB  CG   sing N N 332 
TRP CB  HB2  sing N N 333 
TRP CB  HB3  sing N N 334 
TRP CG  CD1  doub Y N 335 
TRP CG  CD2  sing Y N 336 
TRP CD1 NE1  sing Y N 337 
TRP CD1 HD1  sing N N 338 
TRP CD2 CE2  doub Y N 339 
TRP CD2 CE3  sing Y N 340 
TRP NE1 CE2  sing Y N 341 
TRP NE1 HE1  sing N N 342 
TRP CE2 CZ2  sing Y N 343 
TRP CE3 CZ3  doub Y N 344 
TRP CE3 HE3  sing N N 345 
TRP CZ2 CH2  doub Y N 346 
TRP CZ2 HZ2  sing N N 347 
TRP CZ3 CH2  sing Y N 348 
TRP CZ3 HZ3  sing N N 349 
TRP CH2 HH2  sing N N 350 
TRP OXT HXT  sing N N 351 
TYR N   CA   sing N N 352 
TYR N   H    sing N N 353 
TYR N   H2   sing N N 354 
TYR CA  C    sing N N 355 
TYR CA  CB   sing N N 356 
TYR CA  HA   sing N N 357 
TYR C   O    doub N N 358 
TYR C   OXT  sing N N 359 
TYR CB  CG   sing N N 360 
TYR CB  HB2  sing N N 361 
TYR CB  HB3  sing N N 362 
TYR CG  CD1  doub Y N 363 
TYR CG  CD2  sing Y N 364 
TYR CD1 CE1  sing Y N 365 
TYR CD1 HD1  sing N N 366 
TYR CD2 CE2  doub Y N 367 
TYR CD2 HD2  sing N N 368 
TYR CE1 CZ   doub Y N 369 
TYR CE1 HE1  sing N N 370 
TYR CE2 CZ   sing Y N 371 
TYR CE2 HE2  sing N N 372 
TYR CZ  OH   sing N N 373 
TYR OH  HH   sing N N 374 
TYR OXT HXT  sing N N 375 
VAL N   CA   sing N N 376 
VAL N   H    sing N N 377 
VAL N   H2   sing N N 378 
VAL CA  C    sing N N 379 
VAL CA  CB   sing N N 380 
VAL CA  HA   sing N N 381 
VAL C   O    doub N N 382 
VAL C   OXT  sing N N 383 
VAL CB  CG1  sing N N 384 
VAL CB  CG2  sing N N 385 
VAL CB  HB   sing N N 386 
VAL CG1 HG11 sing N N 387 
VAL CG1 HG12 sing N N 388 
VAL CG1 HG13 sing N N 389 
VAL CG2 HG21 sing N N 390 
VAL CG2 HG22 sing N N 391 
VAL CG2 HG23 sing N N 392 
VAL OXT HXT  sing N N 393 
# 
_pdbx_audit_support.funding_organization   'Agence Nationale de la Recherche (ANR)' 
_pdbx_audit_support.country                France 
_pdbx_audit_support.grant_number           ANR-20-CE44-0012 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   4ZCS 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HSQ 
_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]   0.019878 
_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]   0.014342 
_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]   0.008388 
_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  ? -9.68360  -21.77378 -44.93856 1.000 63.48872  ? 616 LYS A N   1 
ATOM   2    C CA  . LYS A 1 39  ? -10.35913 -22.77793 -44.13536 1.000 60.40387  ? 616 LYS A CA  1 
ATOM   3    C C   . LYS A 1 39  ? -9.68567  -22.96896 -42.76926 1.000 54.89406  ? 616 LYS A C   1 
ATOM   4    O O   . LYS A 1 39  ? -10.34970 -23.39003 -41.82815 1.000 57.28516  ? 616 LYS A O   1 
ATOM   5    C CB  . LYS A 1 39  ? -10.42863 -24.12189 -44.87962 1.000 62.74311  ? 616 LYS A CB  1 
ATOM   6    C CG  . LYS A 1 39  ? -11.64882 -24.97886 -44.51000 1.000 67.28829  ? 616 LYS A CG  1 
ATOM   7    C CD  . LYS A 1 39  ? -11.58453 -26.38783 -45.10915 1.000 66.39000  ? 616 LYS A CD  1 
ATOM   8    C CE  . LYS A 1 39  ? -11.44121 -26.34838 -46.62119 1.000 71.94717  ? 616 LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 39  ? -11.26836 -27.71663 -47.21625 1.000 71.36009  ? 616 LYS A NZ  1 
ATOM   10   N N   . ASN A 1 40  ? -8.38885  -22.67521 -42.63014 1.000 53.41724  ? 617 ASN A N   1 
ATOM   11   C CA  . ASN A 1 40  ? -7.73949  -22.88223 -41.33633 1.000 52.44095  ? 617 ASN A CA  1 
ATOM   12   C C   . ASN A 1 40  ? -8.06782  -21.73695 -40.38076 1.000 51.99214  ? 617 ASN A C   1 
ATOM   13   O O   . ASN A 1 40  ? -7.93808  -20.56217 -40.74074 1.000 53.70050  ? 617 ASN A O   1 
ATOM   14   C CB  . ASN A 1 40  ? -6.22437  -23.01980 -41.47602 1.000 51.21976  ? 617 ASN A CB  1 
ATOM   15   C CG  . ASN A 1 40  ? -5.57798  -23.49392 -40.17694 1.000 52.16595  ? 617 ASN A CG  1 
ATOM   16   O OD1 . ASN A 1 40  ? -5.65213  -24.67294 -39.82558 1.000 56.34305  ? 617 ASN A OD1 1 
ATOM   17   N ND2 . ASN A 1 40  ? -4.98146  -22.57256 -39.43803 1.000 49.00377  ? 617 ASN A ND2 1 
ATOM   18   N N   . VAL A 1 41  ? -8.49597  -22.08681 -39.16578 1.000 45.05460  ? 618 VAL A N   1 
ATOM   19   C CA  . VAL A 1 41  ? -8.96291  -21.13968 -38.15897 1.000 43.65884  ? 618 VAL A CA  1 
ATOM   20   C C   . VAL A 1 41  ? -7.97181  -21.14299 -36.99452 1.000 38.22745  ? 618 VAL A C   1 
ATOM   21   O O   . VAL A 1 41  ? -7.64273  -22.20541 -36.46017 1.000 39.50807  ? 618 VAL A O   1 
ATOM   22   C CB  . VAL A 1 41  ? -10.37642 -21.51487 -37.67229 1.000 42.47579  ? 618 VAL A CB  1 
ATOM   23   C CG1 . VAL A 1 41  ? -10.81680 -20.58875 -36.58542 1.000 41.36962  ? 618 VAL A CG1 1 
ATOM   24   C CG2 . VAL A 1 41  ? -11.36845 -21.49933 -38.83856 1.000 46.72830  ? 618 VAL A CG2 1 
ATOM   25   N N   . VAL A 1 42  ? -7.50146  -19.96462 -36.59759 1.000 39.92161  ? 619 VAL A N   1 
ATOM   26   C CA  . VAL A 1 42  ? -6.55395  -19.85037 -35.48874 1.000 37.84571  ? 619 VAL A CA  1 
ATOM   27   C C   . VAL A 1 42  ? -7.34722  -19.65998 -34.20180 1.000 39.09757  ? 619 VAL A C   1 
ATOM   28   O O   . VAL A 1 42  ? -8.09661  -18.68311 -34.06331 1.000 39.00928  ? 619 VAL A O   1 
ATOM   29   C CB  . VAL A 1 42  ? -5.56451  -18.69695 -35.70352 1.000 40.67797  ? 619 VAL A CB  1 
ATOM   30   C CG1 . VAL A 1 42  ? -4.57577  -18.64473 -34.55765 1.000 40.53592  ? 619 VAL A CG1 1 
ATOM   31   C CG2 . VAL A 1 42  ? -4.81813  -18.85521 -37.04720 1.000 42.17716  ? 619 VAL A CG2 1 
ATOM   32   N N   . ILE A 1 43  ? -7.19261  -20.60182 -33.27680 1.000 37.27965  ? 620 ILE A N   1 
ATOM   33   C CA  . ILE A 1 43  ? -7.83699  -20.58713 -31.96239 1.000 36.85023  ? 620 ILE A CA  1 
ATOM   34   C C   . ILE A 1 43  ? -6.77583  -20.26408 -30.92081 1.000 37.74963  ? 620 ILE A C   1 
ATOM   35   O O   . ILE A 1 43  ? -5.65571  -20.80216 -30.97735 1.000 38.69041  ? 620 ILE A O   1 
ATOM   36   C CB  . ILE A 1 43  ? -8.49435  -21.94645 -31.64419 1.000 36.71134  ? 620 ILE A CB  1 
ATOM   37   C CG1 . ILE A 1 43  ? -9.45642  -22.39407 -32.75892 1.000 38.03424  ? 620 ILE A CG1 1 
ATOM   38   C CG2 . ILE A 1 43  ? -9.22288  -21.90548 -30.28839 1.000 36.22660  ? 620 ILE A CG2 1 
ATOM   39   C CD1 . ILE A 1 43  ? -10.66068 -21.49348 -32.95737 1.000 37.31065  ? 620 ILE A CD1 1 
ATOM   40   N N   . TYR A 1 44  ? -7.12209  -19.39667 -29.97107 1.000 38.34500  ? 621 TYR A N   1 
ATOM   41   C CA  . TYR A 1 44  ? -6.24439  -19.05744 -28.84935 1.000 38.73098  ? 621 TYR A CA  1 
ATOM   42   C C   . TYR A 1 44  ? -6.88982  -19.45313 -27.52650 1.000 39.68678  ? 621 TYR A C   1 
ATOM   43   O O   . TYR A 1 44  ? -8.02338  -19.04533 -27.23713 1.000 40.08352  ? 621 TYR A O   1 
ATOM   44   C CB  . TYR A 1 44  ? -5.94070  -17.56436 -28.82123 1.000 34.59166  ? 621 TYR A CB  1 
ATOM   45   C CG  . TYR A 1 44  ? -5.02470  -17.13251 -27.68408 1.000 40.01872  ? 621 TYR A CG  1 
ATOM   46   C CD1 . TYR A 1 44  ? -3.66487  -17.46054 -27.69738 1.000 39.65933  ? 621 TYR A CD1 1 
ATOM   47   C CD2 . TYR A 1 44  ? -5.49981  -16.35480 -26.63344 1.000 39.22295  ? 621 TYR A CD2 1 
ATOM   48   C CE1 . TYR A 1 44  ? -2.81565  -17.03911 -26.67594 1.000 38.44705  ? 621 TYR A CE1 1 
ATOM   49   C CE2 . TYR A 1 44  ? -4.64895  -15.92832 -25.60319 1.000 40.94968  ? 621 TYR A CE2 1 
ATOM   50   C CZ  . TYR A 1 44  ? -3.30404  -16.27283 -25.64360 1.000 42.17772  ? 621 TYR A CZ  1 
ATOM   51   O OH  . TYR A 1 44  ? -2.44367  -15.86687 -24.63889 1.000 42.91908  ? 621 TYR A OH  1 
ATOM   52   N N   . ALA A 1 45  ? -6.15927  -20.21958 -26.71529 1.000 38.21653  ? 622 ALA A N   1 
ATOM   53   C CA  . ALA A 1 45  ? -6.57520  -20.50414 -25.34274 1.000 40.55391  ? 622 ALA A CA  1 
ATOM   54   C C   . ALA A 1 45  ? -5.41093  -20.18677 -24.42191 1.000 42.33588  ? 622 ALA A C   1 
ATOM   55   O O   . ALA A 1 45  ? -4.26864  -20.55258 -24.71707 1.000 42.86827  ? 622 ALA A O   1 
ATOM   56   C CB  . ALA A 1 45  ? -6.99956  -21.96075 -25.15574 1.000 40.55814  ? 622 ALA A CB  1 
ATOM   57   N N   . ASP A 1 46  ? -5.69031  -19.49000 -23.33659 1.000 40.33800  ? 623 ASP A N   1 
ATOM   58   C CA  . ASP A 1 46  ? -4.65278  -19.12909 -22.38222 1.000 44.17779  ? 623 ASP A CA  1 
ATOM   59   C C   . ASP A 1 46  ? -5.01601  -19.68003 -21.01451 1.000 44.96431  ? 623 ASP A C   1 
ATOM   60   O O   . ASP A 1 46  ? -6.16018  -20.07502 -20.75534 1.000 44.60930  ? 623 ASP A O   1 
ATOM   61   C CB  . ASP A 1 46  ? -4.42996  -17.60052 -22.36147 1.000 42.76215  ? 623 ASP A CB  1 
ATOM   62   C CG  . ASP A 1 46  ? -5.58521  -16.82729 -21.76592 1.000 50.51385  ? 623 ASP A CG  1 
ATOM   63   O OD1 . ASP A 1 46  ? -6.53184  -17.44556 -21.23342 1.000 56.75761  ? 623 ASP A OD1 1 
ATOM   64   O OD2 . ASP A 1 46  ? -5.57446  -15.57529 -21.87378 1.000 52.21733  ? 623 ASP A OD2 1 
ATOM   65   N N   . GLY A 1 47  ? -4.03062  -19.71703 -20.13323 1.000 45.49162  ? 624 GLY A N   1 
ATOM   66   C CA  . GLY A 1 47  ? -4.26470  -20.31969 -18.84392 1.000 43.81588  ? 624 GLY A CA  1 
ATOM   67   C C   . GLY A 1 47  ? -2.96688  -20.47181 -18.09382 1.000 46.81694  ? 624 GLY A C   1 
ATOM   68   O O   . GLY A 1 47  ? -1.87725  -20.19573 -18.61404 1.000 41.16303  ? 624 GLY A O   1 
ATOM   69   N N   . VAL A 1 48  ? -3.10852  -20.90361 -16.84435 1.000 44.15734  ? 625 VAL A N   1 
ATOM   70   C CA  . VAL A 1 48  ? -1.92764  -21.16422 -16.03856 1.000 42.34037  ? 625 VAL A CA  1 
ATOM   71   C C   . VAL A 1 48  ? -1.32045  -22.50683 -16.40885 1.000 44.65913  ? 625 VAL A C   1 
ATOM   72   O O   . VAL A 1 48  ? -0.09967  -22.62691 -16.53946 1.000 45.24462  ? 625 VAL A O   1 
ATOM   73   C CB  . VAL A 1 48  ? -2.26787  -21.09872 -14.53767 1.000 45.88992  ? 625 VAL A CB  1 
ATOM   74   C CG1 . VAL A 1 48  ? -0.97842  -21.18506 -13.72828 1.000 47.45210  ? 625 VAL A CG1 1 
ATOM   75   C CG2 . VAL A 1 48  ? -3.04383  -19.81601 -14.19736 1.000 50.63369  ? 625 VAL A CG2 1 
ATOM   76   N N   . TYR A 1 49  ? -2.16021  -23.53471 -16.57662 1.000 43.49165  ? 626 TYR A N   1 
ATOM   77   C CA  . TYR A 1 49  ? -1.70419  -24.89621 -16.87420 1.000 43.92204  ? 626 TYR A CA  1 
ATOM   78   C C   . TYR A 1 49  ? -0.73436  -25.40172 -15.80762 1.000 46.92120  ? 626 TYR A C   1 
ATOM   79   O O   . TYR A 1 49  ? 0.27203   -26.04790 -16.11239 1.000 44.40427  ? 626 TYR A O   1 
ATOM   80   C CB  . TYR A 1 49  ? -1.09182  -24.97332 -18.27135 1.000 44.54799  ? 626 TYR A CB  1 
ATOM   81   C CG  . TYR A 1 49  ? -2.08897  -24.52665 -19.32545 1.000 43.34449  ? 626 TYR A CG  1 
ATOM   82   C CD1 . TYR A 1 49  ? -3.17155  -25.32469 -19.66257 1.000 44.42307  ? 626 TYR A CD1 1 
ATOM   83   C CD2 . TYR A 1 49  ? -1.98215  -23.28061 -19.92842 1.000 43.11936  ? 626 TYR A CD2 1 
ATOM   84   C CE1 . TYR A 1 49  ? -4.09912  -24.91540 -20.60636 1.000 42.02295  ? 626 TYR A CE1 1 
ATOM   85   C CE2 . TYR A 1 49  ? -2.91400  -22.86140 -20.88383 1.000 38.66091  ? 626 TYR A CE2 1 
ATOM   86   C CZ  . TYR A 1 49  ? -3.95623  -23.68426 -21.21051 1.000 40.41116  ? 626 TYR A CZ  1 
ATOM   87   O OH  . TYR A 1 49  ? -4.87937  -23.26808 -22.13854 1.000 42.53249  ? 626 TYR A OH  1 
ATOM   88   N N   . ASP A 1 50  ? -1.05698  -25.10541 -14.54535 1.000 47.02012  ? 627 ASP A N   1 
ATOM   89   C CA  . ASP A 1 50  ? -0.30711  -25.61622 -13.40192 1.000 48.47396  ? 627 ASP A CA  1 
ATOM   90   C C   . ASP A 1 50  ? -0.66134  -27.08314 -13.16694 1.000 53.35113  ? 627 ASP A C   1 
ATOM   91   O O   . ASP A 1 50  ? -1.84760  -27.44239 -13.13496 1.000 51.04622  ? 627 ASP A O   1 
ATOM   92   C CB  . ASP A 1 50  ? -0.63049  -24.78659 -12.14444 1.000 50.93600  ? 627 ASP A CB  1 
ATOM   93   C CG  . ASP A 1 50  ? 0.45217   -24.88256 -11.07438 1.000 54.51436  ? 627 ASP A CG  1 
ATOM   94   O OD1 . ASP A 1 50  ? 1.53748   -25.40856 -11.38867 1.000 54.81506  ? 627 ASP A OD1 1 
ATOM   95   O OD2 . ASP A 1 50  ? 0.23780   -24.41051 -9.93500  1.000 56.63621  ? 627 ASP A OD2 1 
ATOM   96   N N   . MET A 1 51  ? 0.36666   -27.92400 -12.98403 1.000 49.61698  ? 628 MET A N   1 
ATOM   97   C CA  . MET A 1 51  ? 0.19231   -29.35393 -12.74803 1.000 50.61488  ? 628 MET A CA  1 
ATOM   98   C C   . MET A 1 51  ? -0.86787  -29.93048 -13.68512 1.000 51.40386  ? 628 MET A C   1 
ATOM   99   O O   . MET A 1 51  ? -1.93067  -30.38842 -13.24575 1.000 49.79620  ? 628 MET A O   1 
ATOM   100  C CB  . MET A 1 51  ? -0.16241  -29.62671 -11.28699 1.000 55.70657  ? 628 MET A CB  1 
ATOM   101  C CG  . MET A 1 51  ? 0.90999   -29.24285 -10.27956 1.000 57.30402  ? 628 MET A CG  1 
ATOM   102  S SD  . MET A 1 51  ? 0.27477   -29.27379 -8.58295  1.000 71.71223  ? 628 MET A SD  1 
ATOM   103  C CE  . MET A 1 51  ? -1.02098  -28.01134 -8.64020  1.000 65.53472  ? 628 MET A CE  1 
ATOM   104  N N   . LEU A 1 52  ? -0.54839  -29.93732 -14.97599 1.000 49.11606  ? 629 LEU A N   1 
ATOM   105  C CA  . LEU A 1 52  ? -1.49261  -30.28482 -16.03550 1.000 48.45443  ? 629 LEU A CA  1 
ATOM   106  C C   . LEU A 1 52  ? -2.17100  -31.62440 -15.77586 1.000 46.41386  ? 629 LEU A C   1 
ATOM   107  O O   . LEU A 1 52  ? -1.50937  -32.61922 -15.47597 1.000 45.95717  ? 629 LEU A O   1 
ATOM   108  C CB  . LEU A 1 52  ? -0.73607  -30.32397 -17.36293 1.000 45.40424  ? 629 LEU A CB  1 
ATOM   109  C CG  . LEU A 1 52  ? -1.57768  -30.35024 -18.63868 1.000 44.13546  ? 629 LEU A CG  1 
ATOM   110  C CD1 . LEU A 1 52  ? -2.08029  -28.94850 -18.91389 1.000 43.32618  ? 629 LEU A CD1 1 
ATOM   111  C CD2 . LEU A 1 52  ? -0.73661  -30.86683 -19.80453 1.000 45.59952  ? 629 LEU A CD2 1 
ATOM   112  N N   . HIS A 1 53  ? -3.49997  -31.65300 -15.89425 1.000 45.11334  ? 630 HIS A N   1 
ATOM   113  C CA  . HIS A 1 53  ? -4.27125  -32.86869 -15.65136 1.000 49.85959  ? 630 HIS A CA  1 
ATOM   114  C C   . HIS A 1 53  ? -5.25301  -33.08192 -16.80377 1.000 46.73436  ? 630 HIS A C   1 
ATOM   115  O O   . HIS A 1 53  ? -5.30687  -32.29543 -17.74420 1.000 45.51497  ? 630 HIS A O   1 
ATOM   116  C CB  . HIS A 1 53  ? -5.00138  -32.82062 -14.29714 1.000 55.61847  ? 630 HIS A CB  1 
ATOM   117  C CG  . HIS A 1 53  ? -5.87686  -31.61726 -14.11676 1.000 58.11856  ? 630 HIS A CG  1 
ATOM   118  N ND1 . HIS A 1 53  ? -7.01158  -31.39454 -14.86823 1.000 57.57101  ? 630 HIS A ND1 1 
ATOM   119  C CD2 . HIS A 1 53  ? -5.77397  -30.56266 -13.27322 1.000 60.43331  ? 630 HIS A CD2 1 
ATOM   120  C CE1 . HIS A 1 53  ? -7.57589  -30.26167 -14.48729 1.000 59.68508  ? 630 HIS A CE1 1 
ATOM   121  N NE2 . HIS A 1 53  ? -6.84478  -29.73769 -13.52000 1.000 59.61842  ? 630 HIS A NE2 1 
ATOM   122  N N   . LEU A 1 54  ? -6.02409  -34.16875 -16.71929 1.000 49.84935  ? 631 LEU A N   1 
ATOM   123  C CA  . LEU A 1 54  ? -6.93492  -34.53613 -17.80428 1.000 49.57190  ? 631 LEU A CA  1 
ATOM   124  C C   . LEU A 1 54  ? -7.95734  -33.44155 -18.08089 1.000 47.66184  ? 631 LEU A C   1 
ATOM   125  O O   . LEU A 1 54  ? -8.40581  -33.28199 -19.22649 1.000 47.74282  ? 631 LEU A O   1 
ATOM   126  C CB  . LEU A 1 54  ? -7.62766  -35.85658 -17.46507 1.000 48.95496  ? 631 LEU A CB  1 
ATOM   127  C CG  . LEU A 1 54  ? -8.60433  -36.42767 -18.48357 1.000 53.05355  ? 631 LEU A CG  1 
ATOM   128  C CD1 . LEU A 1 54  ? -7.85333  -36.81524 -19.75938 1.000 45.45653  ? 631 LEU A CD1 1 
ATOM   129  C CD2 . LEU A 1 54  ? -9.33701  -37.62840 -17.88685 1.000 51.43367  ? 631 LEU A CD2 1 
ATOM   130  N N   . GLY A 1 55  ? -8.34114  -32.68116 -17.05378 1.000 49.44971  ? 632 GLY A N   1 
ATOM   131  C CA  . GLY A 1 55  ? -9.24425  -31.55992 -17.26970 1.000 51.24449  ? 632 GLY A CA  1 
ATOM   132  C C   . GLY A 1 55  ? -8.69085  -30.54042 -18.24719 1.000 50.53243  ? 632 GLY A C   1 
ATOM   133  O O   . GLY A 1 55  ? -9.37974  -30.13080 -19.19333 1.000 45.05660  ? 632 GLY A O   1 
ATOM   134  N N   . HIS A 1 56  ? -7.43702  -30.11114 -18.03004 1.000 46.53326  ? 633 HIS A N   1 
ATOM   135  C CA  . HIS A 1 56  ? -6.78017  -29.22225 -18.98412 1.000 44.22218  ? 633 HIS A CA  1 
ATOM   136  C C   . HIS A 1 56  ? -6.75567  -29.84627 -20.36136 1.000 43.40277  ? 633 HIS A C   1 
ATOM   137  O O   . HIS A 1 56  ? -6.98336  -29.16727 -21.36750 1.000 42.14981  ? 633 HIS A O   1 
ATOM   138  C CB  . HIS A 1 56  ? -5.32638  -28.92217 -18.59391 1.000 45.44906  ? 633 HIS A CB  1 
ATOM   139  C CG  . HIS A 1 56  ? -5.14672  -28.23504 -17.27461 1.000 50.61315  ? 633 HIS A CG  1 
ATOM   140  N ND1 . HIS A 1 56  ? -4.62910  -28.87508 -16.17211 1.000 49.38095  ? 633 HIS A ND1 1 
ATOM   141  C CD2 . HIS A 1 56  ? -5.33568  -26.94600 -16.90633 1.000 52.59327  ? 633 HIS A CD2 1 
ATOM   142  C CE1 . HIS A 1 56  ? -4.55240  -28.02300 -15.16484 1.000 54.21409  ? 633 HIS A CE1 1 
ATOM   143  N NE2 . HIS A 1 56  ? -4.97138  -26.84385 -15.58660 1.000 54.45492  ? 633 HIS A NE2 1 
ATOM   144  N N   . MET A 1 57  ? -6.39208  -31.13041 -20.43060 1.000 42.91504  ? 634 MET A N   1 
ATOM   145  C CA  . MET A 1 57  ? -6.19578  -31.75997 -21.73222 1.000 43.27006  ? 634 MET A CA  1 
ATOM   146  C C   . MET A 1 57  ? -7.51049  -31.86586 -22.50601 1.000 41.45115  ? 634 MET A C   1 
ATOM   147  O O   . MET A 1 57  ? -7.54594  -31.60131 -23.71376 1.000 39.31579  ? 634 MET A O   1 
ATOM   148  C CB  . MET A 1 57  ? -5.54436  -33.13268 -21.56684 1.000 40.18003  ? 634 MET A CB  1 
ATOM   149  C CG  . MET A 1 57  ? -4.23536  -33.14823 -20.77481 1.000 45.03597  ? 634 MET A CG  1 
ATOM   150  S SD  . MET A 1 57  ? -3.76853  -34.82272 -20.37021 1.000 44.84239  ? 634 MET A SD  1 
ATOM   151  C CE  . MET A 1 57  ? -2.45706  -34.56938 -19.11744 1.000 45.06016  ? 634 MET A CE  1 
ATOM   152  N N   . LYS A 1 58  ? -8.59780  -32.22620 -21.83194 1.000 41.53386  ? 635 LYS A N   1 
ATOM   153  C CA  . LYS A 1 58  ? -9.90194  -32.26463 -22.49937 1.000 41.75637  ? 635 LYS A CA  1 
ATOM   154  C C   . LYS A 1 58  ? -10.32166 -30.88121 -22.97066 1.000 43.19282  ? 635 LYS A C   1 
ATOM   155  O O   . LYS A 1 58  ? -10.94961 -30.74036 -24.03000 1.000 43.30724  ? 635 LYS A O   1 
ATOM   156  C CB  . LYS A 1 58  ? -10.96655 -32.83959 -21.56418 1.000 42.35863  ? 635 LYS A CB  1 
ATOM   157  C CG  . LYS A 1 58  ? -10.85792 -34.33536 -21.29664 1.000 44.59896  ? 635 LYS A CG  1 
ATOM   158  C CD  . LYS A 1 58  ? -11.85209 -34.76350 -20.22642 1.000 51.20137  ? 635 LYS A CD  1 
ATOM   159  C CE  . LYS A 1 58  ? -12.47720 -36.12125 -20.51178 1.000 55.56199  ? 635 LYS A CE  1 
ATOM   160  N NZ  . LYS A 1 58  ? -13.07761 -36.76062 -19.28375 1.000 61.47052  ? 635 LYS A NZ  1 
ATOM   161  N N   . GLN A 1 59  ? -9.97531  -29.84298 -22.19996 1.000 43.08185  ? 636 GLN A N   1 
ATOM   162  C CA  . GLN A 1 59  ? -10.29129 -28.47367 -22.59739 1.000 43.88069  ? 636 GLN A CA  1 
ATOM   163  C C   . GLN A 1 59  ? -9.51810  -28.07624 -23.83610 1.000 41.18669  ? 636 GLN A C   1 
ATOM   164  O O   . GLN A 1 59  ? -10.05280 -27.40182 -24.72354 1.000 39.00664  ? 636 GLN A O   1 
ATOM   165  C CB  . GLN A 1 59  ? -9.96429  -27.50951 -21.46180 1.000 49.89284  ? 636 GLN A CB  1 
ATOM   166  C CG  . GLN A 1 59  ? -10.74005 -26.21093 -21.48060 1.000 57.09263  ? 636 GLN A CG  1 
ATOM   167  C CD  . GLN A 1 59  ? -11.05135 -25.72784 -20.06917 1.000 61.90534  ? 636 GLN A CD  1 
ATOM   168  O OE1 . GLN A 1 59  ? -10.22293 -25.85757 -19.16737 1.000 59.79406  ? 636 GLN A OE1 1 
ATOM   169  N NE2 . GLN A 1 59  ? -12.24354 -25.18068 -19.87047 1.000 63.29888  ? 636 GLN A NE2 1 
ATOM   170  N N   . LEU A 1 60  ? -8.23940  -28.45517 -23.89362 1.000 38.94822  ? 637 LEU A N   1 
ATOM   171  C CA  . LEU A 1 60  ? -7.43099  -28.15711 -25.06105 1.000 37.67208  ? 637 LEU A CA  1 
ATOM   172  C C   . LEU A 1 60  ? -7.94191  -28.90857 -26.28318 1.000 38.35331  ? 637 LEU A C   1 
ATOM   173  O O   . LEU A 1 60  ? -7.96534  -28.35830 -27.39151 1.000 36.04614  ? 637 LEU A O   1 
ATOM   174  C CB  . LEU A 1 60  ? -5.96531  -28.50204 -24.77212 1.000 37.82006  ? 637 LEU A CB  1 
ATOM   175  C CG  . LEU A 1 60  ? -5.33779  -27.65083 -23.66060 1.000 38.64233  ? 637 LEU A CG  1 
ATOM   176  C CD1 . LEU A 1 60  ? -3.96956  -28.20931 -23.16299 1.000 40.28150  ? 637 LEU A CD1 1 
ATOM   177  C CD2 . LEU A 1 60  ? -5.13633  -26.24797 -24.20006 1.000 41.81973  ? 637 LEU A CD2 1 
ATOM   178  N N   . GLU A 1 61  ? -8.33131  -30.17228 -26.09877 1.000 37.82805  ? 638 GLU A N   1 
ATOM   179  C CA  . GLU A 1 61  ? -8.91430  -30.95182 -27.18702 1.000 40.40044  ? 638 GLU A CA  1 
ATOM   180  C C   . GLU A 1 61  ? -10.15047 -30.27967 -27.74116 1.000 39.44892  ? 638 GLU A C   1 
ATOM   181  O O   . GLU A 1 61  ? -10.34473 -30.23150 -28.96613 1.000 38.05940  ? 638 GLU A O   1 
ATOM   182  C CB  . GLU A 1 61  ? -9.27306  -32.35666 -26.70751 1.000 41.23202  ? 638 GLU A CB  1 
ATOM   183  C CG  . GLU A 1 61  ? -9.88985  -33.21956 -27.80125 1.000 42.59540  ? 638 GLU A CG  1 
ATOM   184  C CD  . GLU A 1 61  ? -10.39323 -34.56211 -27.31033 1.000 44.68089  ? 638 GLU A CD  1 
ATOM   185  O OE1 . GLU A 1 61  ? -10.53532 -34.78009 -26.07677 1.000 44.33695  ? 638 GLU A OE1 1 
ATOM   186  O OE2 . GLU A 1 61  ? -10.67538 -35.41422 -28.17779 1.000 46.47412  ? 638 GLU A OE2 1 
ATOM   187  N N   . GLN A 1 62  ? -11.00496 -29.77573 -26.84728 1.000 38.35276  ? 639 GLN A N   1 
ATOM   188  C CA  . GLN A 1 62  ? -12.23832 -29.12072 -27.25533 1.000 39.39488  ? 639 GLN A CA  1 
ATOM   189  C C   . GLN A 1 62  ? -11.93504 -27.89258 -28.09521 1.000 40.76460  ? 639 GLN A C   1 
ATOM   190  O O   . GLN A 1 62  ? -12.54321 -27.68536 -29.14450 1.000 40.32196  ? 639 GLN A O   1 
ATOM   191  C CB  . GLN A 1 62  ? -13.01567 -28.69981 -26.01973 1.000 42.01582  ? 639 GLN A CB  1 
ATOM   192  C CG  . GLN A 1 62  ? -14.46783 -28.69904 -26.19293 1.000 47.28888  ? 639 GLN A CG  1 
ATOM   193  C CD  . GLN A 1 62  ? -15.12908 -28.12251 -24.97800 1.000 55.51625  ? 639 GLN A CD  1 
ATOM   194  O OE1 . GLN A 1 62  ? -14.91081 -28.60083 -23.87221 1.000 55.69214  ? 639 GLN A OE1 1 
ATOM   195  N NE2 . GLN A 1 62  ? -16.03432 -27.16958 -25.19039 1.000 61.11202  ? 639 GLN A NE2 1 
ATOM   196  N N   . ALA A 1 63  ? -10.98514 -27.06031 -27.64285 1.000 39.04884  ? 640 ALA A N   1 
ATOM   197  C CA  . ALA A 1 63  ? -10.60776 -25.88682 -28.42495 1.000 37.44442  ? 640 ALA A CA  1 
ATOM   198  C C   . ALA A 1 63  ? -10.02688 -26.28983 -29.76815 1.000 39.33320  ? 640 ALA A C   1 
ATOM   199  O O   . ALA A 1 63  ? -10.36633 -25.69869 -30.79210 1.000 40.70415  ? 640 ALA A O   1 
ATOM   200  C CB  . ALA A 1 63  ? -9.61067  -25.02342 -27.64770 1.000 38.51410  ? 640 ALA A CB  1 
ATOM   201  N N   . LYS A 1 64  ? -9.15495  -27.30294 -29.79136 1.000 40.36220  ? 641 LYS A N   1 
ATOM   202  C CA  . LYS A 1 64  ? -8.58296  -27.74844 -31.05824 1.000 38.93012  ? 641 LYS A CA  1 
ATOM   203  C C   . LYS A 1 64  ? -9.67459  -28.17610 -32.04525 1.000 40.88342  ? 641 LYS A C   1 
ATOM   204  O O   . LYS A 1 64  ? -9.55664  -27.95135 -33.25895 1.000 39.67967  ? 641 LYS A O   1 
ATOM   205  C CB  . LYS A 1 64  ? -7.60142  -28.88990 -30.80631 1.000 37.39213  ? 641 LYS A CB  1 
ATOM   206  C CG  . LYS A 1 64  ? -7.03091  -29.56093 -32.04200 1.000 39.33835  ? 641 LYS A CG  1 
ATOM   207  C CD  . LYS A 1 64  ? -6.11789  -28.63752 -32.81932 1.000 38.53606  ? 641 LYS A CD  1 
ATOM   208  C CE  . LYS A 1 64  ? -5.59480  -29.34913 -34.07201 1.000 42.08663  ? 641 LYS A CE  1 
ATOM   209  N NZ  . LYS A 1 64  ? -5.04363  -28.40110 -35.05267 1.000 40.44271  ? 641 LYS A NZ  1 
ATOM   210  N N   . LYS A 1 65  ? -10.73294 -28.80776 -31.54844 1.000 40.59063  ? 642 LYS A N   1 
ATOM   211  C CA  . LYS A 1 65  ? -11.73312 -29.42289 -32.40724 1.000 41.03618  ? 642 LYS A CA  1 
ATOM   212  C C   . LYS A 1 65  ? -12.93383 -28.52083 -32.65250 1.000 42.09591  ? 642 LYS A C   1 
ATOM   213  O O   . LYS A 1 65  ? -13.98260 -29.00494 -33.09408 1.000 42.34572  ? 642 LYS A O   1 
ATOM   214  C CB  . LYS A 1 65  ? -12.18193 -30.76336 -31.81418 1.000 42.51525  ? 642 LYS A CB  1 
ATOM   215  C CG  . LYS A 1 65  ? -11.11556 -31.86039 -31.88899 1.000 40.68539  ? 642 LYS A CG  1 
ATOM   216  C CD  . LYS A 1 65  ? -11.54755 -33.19130 -31.25614 1.000 42.78852  ? 642 LYS A CD  1 
ATOM   217  C CE  . LYS A 1 65  ? -10.50803 -34.27960 -31.54753 1.000 44.96172  ? 642 LYS A CE  1 
ATOM   218  N NZ  . LYS A 1 65  ? -10.66404 -35.58413 -30.86149 1.000 44.13164  ? 642 LYS A NZ  1 
ATOM   219  N N   . LEU A 1 66  ? -12.80581 -27.21749 -32.39352 1.000 40.51209  ? 643 LEU A N   1 
ATOM   220  C CA  . LEU A 1 66  ? -13.94791 -26.32057 -32.56781 1.000 41.91743  ? 643 LEU A CA  1 
ATOM   221  C C   . LEU A 1 66  ? -14.33410 -26.18652 -34.02907 1.000 42.53894  ? 643 LEU A C   1 
ATOM   222  O O   . LEU A 1 66  ? -15.50713 -25.95137 -34.34532 1.000 41.43463  ? 643 LEU A O   1 
ATOM   223  C CB  . LEU A 1 66  ? -13.62016 -24.95018 -31.99208 1.000 39.95138  ? 643 LEU A CB  1 
ATOM   224  C CG  . LEU A 1 66  ? -13.62081 -24.85631 -30.47238 1.000 41.13750  ? 643 LEU A CG  1 
ATOM   225  C CD1 . LEU A 1 66  ? -12.96212 -23.54839 -30.05477 1.000 39.91763  ? 643 LEU A CD1 1 
ATOM   226  C CD2 . LEU A 1 66  ? -15.09217 -24.94746 -29.98287 1.000 39.08935  ? 643 LEU A CD2 1 
ATOM   227  N N   . PHE A 1 67  ? -13.36355 -26.30961 -34.92725 1.000 41.24168  ? 644 PHE A N   1 
ATOM   228  C CA  . PHE A 1 67  ? -13.62219 -26.31795 -36.36109 1.000 43.05310  ? 644 PHE A CA  1 
ATOM   229  C C   . PHE A 1 67  ? -12.80281 -27.43946 -36.97686 1.000 45.88751  ? 644 PHE A C   1 
ATOM   230  O O   . PHE A 1 67  ? -11.89163 -27.98574 -36.34396 1.000 43.29486  ? 644 PHE A O   1 
ATOM   231  C CB  . PHE A 1 67  ? -13.26947 -24.97905 -37.01349 1.000 44.47540  ? 644 PHE A CB  1 
ATOM   232  C CG  . PHE A 1 67  ? -14.04104 -23.81372 -36.46743 1.000 43.69146  ? 644 PHE A CG  1 
ATOM   233  C CD1 . PHE A 1 67  ? -15.24695 -23.44142 -37.02877 1.000 44.10125  ? 644 PHE A CD1 1 
ATOM   234  C CD2 . PHE A 1 67  ? -13.54887 -23.08420 -35.39158 1.000 42.63670  ? 644 PHE A CD2 1 
ATOM   235  C CE1 . PHE A 1 67  ? -15.95771 -22.36380 -36.52666 1.000 46.74096  ? 644 PHE A CE1 1 
ATOM   236  C CE2 . PHE A 1 67  ? -14.26223 -22.00694 -34.87810 1.000 42.30939  ? 644 PHE A CE2 1 
ATOM   237  C CZ  . PHE A 1 67  ? -15.46450 -21.64787 -35.44880 1.000 45.80105  ? 644 PHE A CZ  1 
ATOM   238  N N   . GLU A 1 68  ? -13.13157 -27.76354 -38.23169 1.000 46.39498  ? 645 GLU A N   1 
ATOM   239  C CA  . GLU A 1 68  ? -12.47338 -28.86256 -38.92718 1.000 47.00252  ? 645 GLU A CA  1 
ATOM   240  C C   . GLU A 1 68  ? -10.96849 -28.65536 -39.00534 1.000 47.45705  ? 645 GLU A C   1 
ATOM   241  O O   . GLU A 1 68  ? -10.18930 -29.58088 -38.74765 1.000 49.38601  ? 645 GLU A O   1 
ATOM   242  C CB  . GLU A 1 68  ? -13.05914 -29.01274 -40.32748 1.000 52.04636  ? 645 GLU A CB  1 
ATOM   243  C CG  . GLU A 1 68  ? -12.54724 -30.23152 -41.05827 1.000 57.47407  ? 645 GLU A CG  1 
ATOM   244  C CD  . GLU A 1 68  ? -13.16082 -30.37589 -42.43242 1.000 65.74031  ? 645 GLU A CD  1 
ATOM   245  O OE1 . GLU A 1 68  ? -12.92255 -31.42738 -43.07784 1.000 68.85122  ? 645 GLU A OE1 1 
ATOM   246  O OE2 . GLU A 1 68  ? -13.87414 -29.43604 -42.87088 1.000 63.17993  ? 645 GLU A OE2 1 
ATOM   247  N N   . ASN A 1 69  ? -10.53355 -27.45917 -39.39484 1.000 47.29268  ? 646 ASN A N   1 
ATOM   248  C CA  . ASN A 1 69  ? -9.11075  -27.19063 -39.61019 1.000 47.94956  ? 646 ASN A CA  1 
ATOM   249  C C   . ASN A 1 69  ? -8.69483  -26.01280 -38.73529 1.000 46.03494  ? 646 ASN A C   1 
ATOM   250  O O   . ASN A 1 69  ? -9.11017  -24.87492 -38.98413 1.000 45.38265  ? 646 ASN A O   1 
ATOM   251  C CB  . ASN A 1 69  ? -8.83696  -26.88439 -41.07760 1.000 51.57618  ? 646 ASN A CB  1 
ATOM   252  C CG  . ASN A 1 69  ? -8.71882  -28.13166 -41.91393 1.000 58.19300  ? 646 ASN A CG  1 
ATOM   253  O OD1 . ASN A 1 69  ? -8.07160  -29.10470 -41.51929 1.000 63.11124  ? 646 ASN A OD1 1 
ATOM   254  N ND2 . ASN A 1 69  ? -9.32890  -28.10568 -43.09638 1.000 60.41746  ? 646 ASN A ND2 1 
ATOM   255  N N   . THR A 1 70  ? -7.88416  -26.27765 -37.71135 1.000 42.21561  ? 647 THR A N   1 
ATOM   256  C CA  . THR A 1 70  ? -7.48909  -25.25953 -36.74775 1.000 42.41487  ? 647 THR A CA  1 
ATOM   257  C C   . THR A 1 70  ? -5.98033  -25.27745 -36.54413 1.000 43.44686  ? 647 THR A C   1 
ATOM   258  O O   . THR A 1 70  ? -5.30579  -26.28500 -36.77833 1.000 43.37327  ? 647 THR A O   1 
ATOM   259  C CB  . THR A 1 70  ? -8.15849  -25.45359 -35.37191 1.000 42.34288  ? 647 THR A CB  1 
ATOM   260  O OG1 . THR A 1 70  ? -7.72208  -26.68957 -34.79232 1.000 37.53266  ? 647 THR A OG1 1 
ATOM   261  C CG2 . THR A 1 70  ? -9.69637  -25.47413 -35.49752 1.000 40.31908  ? 647 THR A CG2 1 
ATOM   262  N N   . THR A 1 71  ? -5.46932  -24.13211 -36.10594 1.000 43.04046  ? 648 THR A N   1 
ATOM   263  C CA  . THR A 1 71  ? -4.21582  -24.04137 -35.36223 1.000 40.70273  ? 648 THR A CA  1 
ATOM   264  C C   . THR A 1 71  ? -4.56836  -23.58084 -33.95848 1.000 37.92120  ? 648 THR A C   1 
ATOM   265  O O   . THR A 1 71  ? -5.14324  -22.49743 -33.79185 1.000 38.12611  ? 648 THR A O   1 
ATOM   266  C CB  . THR A 1 71  ? -3.25489  -23.04500 -36.00444 1.000 38.80285  ? 648 THR A CB  1 
ATOM   267  O OG1 . THR A 1 71  ? -2.97594  -23.44709 -37.33458 1.000 43.83612  ? 648 THR A OG1 1 
ATOM   268  C CG2 . THR A 1 71  ? -1.91628  -22.99205 -35.23078 1.000 42.57162  ? 648 THR A CG2 1 
ATOM   269  N N   . LEU A 1 72  ? -4.20976  -24.37533 -32.95125 1.000 36.48246  ? 649 LEU A N   1 
ATOM   270  C CA  . LEU A 1 72  ? -4.48274  -24.03701 -31.55807 1.000 35.51559  ? 649 LEU A CA  1 
ATOM   271  C C   . LEU A 1 72  ? -3.22434  -23.41282 -30.96012 1.000 37.89508  ? 649 LEU A C   1 
ATOM   272  O O   . LEU A 1 72  ? -2.17587  -24.06836 -30.86300 1.000 38.54742  ? 649 LEU A O   1 
ATOM   273  C CB  . LEU A 1 72  ? -4.92291  -25.26289 -30.77035 1.000 34.54914  ? 649 LEU A CB  1 
ATOM   274  C CG  . LEU A 1 72  ? -5.05781  -25.00062 -29.25096 1.000 35.00625  ? 649 LEU A CG  1 
ATOM   275  C CD1 . LEU A 1 72  ? -6.05487  -23.88299 -28.95508 1.000 33.31501  ? 649 LEU A CD1 1 
ATOM   276  C CD2 . LEU A 1 72  ? -5.44082  -26.25473 -28.51043 1.000 37.27530  ? 649 LEU A CD2 1 
ATOM   277  N N   . ILE A 1 73  ? -3.31375  -22.12824 -30.62079 1.000 38.37202  ? 650 ILE A N   1 
ATOM   278  C CA  . ILE A 1 73  ? -2.24565  -21.41272 -29.92809 1.000 38.52838  ? 650 ILE A CA  1 
ATOM   279  C C   . ILE A 1 73  ? -2.61666  -21.39659 -28.45962 1.000 37.58137  ? 650 ILE A C   1 
ATOM   280  O O   . ILE A 1 73  ? -3.73527  -21.01352 -28.11890 1.000 39.80452  ? 650 ILE A O   1 
ATOM   281  C CB  . ILE A 1 73  ? -2.08862  -19.98077 -30.46097 1.000 37.80397  ? 650 ILE A CB  1 
ATOM   282  C CG1 . ILE A 1 73  ? -1.90724  -19.98382 -31.98513 1.000 37.65171  ? 650 ILE A CG1 1 
ATOM   283  C CG2 . ILE A 1 73  ? -0.92374  -19.28831 -29.78274 1.000 38.71751  ? 650 ILE A CG2 1 
ATOM   284  C CD1 . ILE A 1 73  ? -1.92562  -18.61222 -32.57445 1.000 43.32384  ? 650 ILE A CD1 1 
ATOM   285  N N   . VAL A 1 74  ? -1.69903  -21.82500 -27.59545 1.000 38.74883  ? 651 VAL A N   1 
ATOM   286  C CA  . VAL A 1 74  ? -1.90849  -21.83454 -26.15051 1.000 39.02072  ? 651 VAL A CA  1 
ATOM   287  C C   . VAL A 1 74  ? -1.00993  -20.77446 -25.52878 1.000 40.03310  ? 651 VAL A C   1 
ATOM   288  O O   . VAL A 1 74  ? 0.19737   -20.73857 -25.80201 1.000 39.76385  ? 651 VAL A O   1 
ATOM   289  C CB  . VAL A 1 74  ? -1.62090  -23.21874 -25.54755 1.000 38.59107  ? 651 VAL A CB  1 
ATOM   290  C CG1 . VAL A 1 74  ? -1.92342  -23.19266 -24.04566 1.000 41.24655  ? 651 VAL A CG1 1 
ATOM   291  C CG2 . VAL A 1 74  ? -2.47590  -24.29984 -26.22279 1.000 43.71343  ? 651 VAL A CG2 1 
ATOM   292  N N   . GLY A 1 75  ? -1.59261  -19.90891 -24.70408 1.000 39.12728  ? 652 GLY A N   1 
ATOM   293  C CA  . GLY A 1 75  ? -0.82945  -18.94428 -23.91606 1.000 37.85790  ? 652 GLY A CA  1 
ATOM   294  C C   . GLY A 1 75  ? -0.65805  -19.43121 -22.49436 1.000 41.93562  ? 652 GLY A C   1 
ATOM   295  O O   . GLY A 1 75  ? -1.60930  -19.89362 -21.85578 1.000 39.40229  ? 652 GLY A O   1 
ATOM   296  N N   . VAL A 1 76  ? 0.56631   -19.31768 -21.98185 1.000 41.07509  ? 653 VAL A N   1 
ATOM   297  C CA  . VAL A 1 76  ? 0.91292   -19.73523 -20.62739 1.000 39.76619  ? 653 VAL A CA  1 
ATOM   298  C C   . VAL A 1 76  ? 1.25551   -18.49583 -19.81231 1.000 43.82876  ? 653 VAL A C   1 
ATOM   299  O O   . VAL A 1 76  ? 2.18331   -17.74873 -20.16320 1.000 42.85358  ? 653 VAL A O   1 
ATOM   300  C CB  . VAL A 1 76  ? 2.08010   -20.73303 -20.63975 1.000 43.66521  ? 653 VAL A CB  1 
ATOM   301  C CG1 . VAL A 1 76  ? 2.32115   -21.26783 -19.26384 1.000 43.03449  ? 653 VAL A CG1 1 
ATOM   302  C CG2 . VAL A 1 76  ? 1.76632   -21.87174 -21.60796 1.000 41.58715  ? 653 VAL A CG2 1 
ATOM   303  N N   . THR A 1 77  ? 0.53987   -18.29020 -18.69688 1.000 42.04015  ? 654 THR A N   1 
ATOM   304  C CA  . THR A 1 77  ? 0.68384   -17.05635 -17.93908 1.000 41.97173  ? 654 THR A CA  1 
ATOM   305  C C   . THR A 1 77  ? 1.99285   -17.03454 -17.14460 1.000 44.70197  ? 654 THR A C   1 
ATOM   306  O O   . THR A 1 77  ? 2.49351   -18.06477 -16.68579 1.000 44.52437  ? 654 THR A O   1 
ATOM   307  C CB  . THR A 1 77  ? -0.49723  -16.87162 -16.97757 1.000 48.03773  ? 654 THR A CB  1 
ATOM   308  O OG1 . THR A 1 77  ? -0.61179  -18.03631 -16.15801 1.000 46.66767  ? 654 THR A OG1 1 
ATOM   309  C CG2 . THR A 1 77  ? -1.80193  -16.71118 -17.76749 1.000 46.64189  ? 654 THR A CG2 1 
ATOM   310  N N   . SER A 1 78  ? 2.52482   -15.83362 -16.95961 1.000 45.31633  ? 655 SER A N   1 
ATOM   311  C CA  . SER A 1 78  ? 3.78428   -15.65610 -16.25168 1.000 50.71488  ? 655 SER A CA  1 
ATOM   312  C C   . SER A 1 78  ? 3.62987   -15.99302 -14.76901 1.000 52.80409  ? 655 SER A C   1 
ATOM   313  O O   . SER A 1 78  ? 2.52593   -16.00555 -14.21394 1.000 50.64463  ? 655 SER A O   1 
ATOM   314  C CB  . SER A 1 78  ? 4.29480   -14.22369 -16.41613 1.000 53.64383  ? 655 SER A CB  1 
ATOM   315  O OG  . SER A 1 78  ? 3.57602   -13.31977 -15.59734 1.000 57.08189  ? 655 SER A OG  1 
ATOM   316  N N   . ASP A 1 79  ? 4.76792   -16.28095 -14.13038 1.000 52.43184  ? 656 ASP A N   1 
ATOM   317  C CA  . ASP A 1 79  ? 4.75604   -16.58038 -12.70260 1.000 56.49624  ? 656 ASP A CA  1 
ATOM   318  C C   . ASP A 1 79  ? 4.29157   -15.36477 -11.91496 1.000 59.50752  ? 656 ASP A C   1 
ATOM   319  O O   . ASP A 1 79  ? 3.41115   -15.46180 -11.05137 1.000 63.67203  ? 656 ASP A O   1 
ATOM   320  C CB  . ASP A 1 79  ? 6.15447   -17.01487 -12.25395 1.000 61.54197  ? 656 ASP A CB  1 
ATOM   321  C CG  . ASP A 1 79  ? 6.43959   -18.49319 -12.54936 1.000 60.99679  ? 656 ASP A CG  1 
ATOM   322  O OD1 . ASP A 1 79  ? 5.50899   -19.24657 -12.90043 1.000 58.43177  ? 656 ASP A OD1 1 
ATOM   323  O OD2 . ASP A 1 79  ? 7.62380   -18.89322 -12.47479 1.000 67.26633  ? 656 ASP A OD2 1 
ATOM   324  N N   . ASN A 1 80  ? 4.85494   -14.19740 -12.22689 1.000 58.02696  ? 657 ASN A N   1 
ATOM   325  C CA  . ASN A 1 80  ? 4.56837   -13.01316 -11.43337 1.000 65.29249  ? 657 ASN A CA  1 
ATOM   326  C C   . ASN A 1 80  ? 3.10198   -12.62473 -11.53465 1.000 65.41727  ? 657 ASN A C   1 
ATOM   327  O O   . ASN A 1 80  ? 2.46705   -12.29933 -10.52481 1.000 65.68109  ? 657 ASN A O   1 
ATOM   328  C CB  . ASN A 1 80  ? 5.46592   -11.85546 -11.86577 1.000 68.00137  ? 657 ASN A CB  1 
ATOM   329  C CG  . ASN A 1 80  ? 6.92650   -12.07158 -11.48445 1.000 79.10351  ? 657 ASN A CG  1 
ATOM   330  O OD1 . ASN A 1 80  ? 7.25318   -12.96699 -10.69642 1.000 80.80924  ? 657 ASN A OD1 1 
ATOM   331  N ND2 . ASN A 1 80  ? 7.80802   -11.20825 -11.99308 1.000 84.95361  ? 657 ASN A ND2 1 
ATOM   332  N N   . GLU A 1 81  ? 2.54752   -12.64916 -12.74330 1.000 61.98669  ? 658 GLU A N   1 
ATOM   333  C CA  . GLU A 1 81  ? 1.16951   -12.21419 -12.92185 1.000 64.18919  ? 658 GLU A CA  1 
ATOM   334  C C   . GLU A 1 81  ? 0.17959   -13.23400 -12.37084 1.000 65.89019  ? 658 GLU A C   1 
ATOM   335  O O   . GLU A 1 81  ? -0.85238  -12.85588 -11.80390 1.000 68.71995  ? 658 GLU A O   1 
ATOM   336  C CB  . GLU A 1 81  ? 0.90943   -11.93136 -14.39685 1.000 59.82084  ? 658 GLU A CB  1 
ATOM   337  C CG  . GLU A 1 81  ? 1.39172   -10.54028 -14.80401 1.000 60.83302  ? 658 GLU A CG  1 
ATOM   338  C CD  . GLU A 1 81  ? 1.48615   -10.37850 -16.30455 1.000 61.60364  ? 658 GLU A CD  1 
ATOM   339  O OE1 . GLU A 1 81  ? 1.75528   -11.38888 -16.98331 1.000 60.15606  ? 658 GLU A OE1 1 
ATOM   340  O OE2 . GLU A 1 81  ? 1.29394   -9.24356  -16.79787 1.000 63.72251  ? 658 GLU A OE2 1 
ATOM   341  N N   . THR A 1 82  ? 0.47466   -14.52562 -12.50880 1.000 59.98956  ? 659 THR A N   1 
ATOM   342  C CA  . THR A 1 82  ? -0.37237  -15.53429 -11.87688 1.000 62.30202  ? 659 THR A CA  1 
ATOM   343  C C   . THR A 1 82  ? -0.40929  -15.36237 -10.36186 1.000 68.82158  ? 659 THR A C   1 
ATOM   344  O O   . THR A 1 82  ? -1.46937  -15.48653 -9.73929  1.000 68.52169  ? 659 THR A O   1 
ATOM   345  C CB  . THR A 1 82  ? 0.12314   -16.92673 -12.23557 1.000 57.70495  ? 659 THR A CB  1 
ATOM   346  O OG1 . THR A 1 82  ? 0.11557   -17.06705 -13.65709 1.000 56.19571  ? 659 THR A OG1 1 
ATOM   347  C CG2 . THR A 1 82  ? -0.76344  -17.98459 -11.60344 1.000 60.67312  ? 659 THR A CG2 1 
ATOM   348  N N   . LYS A 1 83  ? 0.73872   -15.08673 -9.74461  1.000 67.15832  ? 660 LYS A N   1 
ATOM   349  C CA  . LYS A 1 83  ? 0.74191   -14.89225 -8.30006  1.000 69.96727  ? 660 LYS A CA  1 
ATOM   350  C C   . LYS A 1 83  ? -0.02467  -13.62984 -7.92361  1.000 74.65634  ? 660 LYS A C   1 
ATOM   351  O O   . LYS A 1 83  ? -0.82859  -13.63717 -6.98391  1.000 80.11603  ? 660 LYS A O   1 
ATOM   352  C CB  . LYS A 1 83  ? 2.17796   -14.82265 -7.78078  1.000 72.38942  ? 660 LYS A CB  1 
ATOM   353  C CG  . LYS A 1 83  ? 2.95652   -16.12176 -7.96972  1.000 73.82979  ? 660 LYS A CG  1 
ATOM   354  C CD  . LYS A 1 83  ? 4.41505   -15.96422 -7.53776  1.000 80.00205  ? 660 LYS A CD  1 
ATOM   355  C CE  . LYS A 1 83  ? 5.25624   -17.15259 -8.00501  1.000 79.21757  ? 660 LYS A CE  1 
ATOM   356  N NZ  . LYS A 1 83  ? 6.71791   -16.84378 -8.01847  1.000 77.76427  ? 660 LYS A NZ  1 
ATOM   357  N N   . LEU A 1 84  ? 0.19084   -12.54321 -8.66735  1.000 72.41187  ? 661 LEU A N   1 
ATOM   358  C CA  . LEU A 1 84  ? -0.42978  -11.27097 -8.32057  1.000 77.22639  ? 661 LEU A CA  1 
ATOM   359  C C   . LEU A 1 84  ? -1.95009  -11.34631 -8.40132  1.000 76.36561  ? 661 LEU A C   1 
ATOM   360  O O   . LEU A 1 84  ? -2.64608  -10.85457 -7.50435  1.000 81.00718  ? 661 LEU A O   1 
ATOM   361  C CB  . LEU A 1 84  ? 0.10261   -10.16951 -9.23657  1.000 78.21511  ? 661 LEU A CB  1 
ATOM   362  C CG  . LEU A 1 84  ? -0.25327  -8.73520  -8.85192  1.000 81.05749  ? 661 LEU A CG  1 
ATOM   363  C CD1 . LEU A 1 84  ? -0.00034  -8.48930  -7.37222  1.000 83.94024  ? 661 LEU A CD1 1 
ATOM   364  C CD2 . LEU A 1 84  ? 0.51881   -7.74019  -9.70684  1.000 85.79943  ? 661 LEU A CD2 1 
ATOM   365  N N   . PHE A 1 85  ? -2.48294  -11.95506 -9.46424  1.000 76.77679  ? 662 PHE A N   1 
ATOM   366  C CA  . PHE A 1 85  ? -3.91470  -11.91613 -9.74544  1.000 76.20515  ? 662 PHE A CA  1 
ATOM   367  C C   . PHE A 1 85  ? -4.67444  -13.16941 -9.33914  1.000 74.15661  ? 662 PHE A C   1 
ATOM   368  O O   . PHE A 1 85  ? -5.84677  -13.06572 -8.97417  1.000 81.27169  ? 662 PHE A O   1 
ATOM   369  C CB  . PHE A 1 85  ? -4.17438  -11.66497 -11.23723 1.000 72.06674  ? 662 PHE A CB  1 
ATOM   370  C CG  . PHE A 1 85  ? -3.54849  -10.40966 -11.76371 1.000 72.22380  ? 662 PHE A CG  1 
ATOM   371  C CD1 . PHE A 1 85  ? -3.91902  -9.18014  -11.25833 1.000 78.84277  ? 662 PHE A CD1 1 
ATOM   372  C CD2 . PHE A 1 85  ? -2.62321  -10.45418 -12.79063 1.000 70.78780  ? 662 PHE A CD2 1 
ATOM   373  C CE1 . PHE A 1 85  ? -3.35250  -8.01707  -11.73717 1.000 80.99083  ? 662 PHE A CE1 1 
ATOM   374  C CE2 . PHE A 1 85  ? -2.05714  -9.28912  -13.27849 1.000 70.86036  ? 662 PHE A CE2 1 
ATOM   375  C CZ  . PHE A 1 85  ? -2.42474  -8.07377  -12.75487 1.000 76.06101  ? 662 PHE A CZ  1 
ATOM   376  N N   . LYS A 1 86  ? -4.07211  -14.35006 -9.41536  1.000 72.03538  ? 663 LYS A N   1 
ATOM   377  C CA  . LYS A 1 86  ? -4.76415  -15.58386 -9.06653  1.000 72.73727  ? 663 LYS A CA  1 
ATOM   378  C C   . LYS A 1 86  ? -4.28693  -16.14636 -7.73999  1.000 78.26292  ? 663 LYS A C   1 
ATOM   379  O O   . LYS A 1 86  ? -5.09266  -16.42115 -6.84078  1.000 76.29827  ? 663 LYS A O   1 
ATOM   380  C CB  . LYS A 1 86  ? -4.57913  -16.61318 -10.18919 1.000 74.32740  ? 663 LYS A CB  1 
ATOM   381  C CG  . LYS A 1 86  ? -5.79668  -17.47901 -10.49638 1.000 77.98878  ? 663 LYS A CG  1 
ATOM   382  C CD  . LYS A 1 86  ? -5.36521  -18.80685 -11.11007 1.000 74.63598  ? 663 LYS A CD  1 
ATOM   383  C CE  . LYS A 1 86  ? -4.53086  -19.64627 -10.13047 1.000 79.15777  ? 663 LYS A CE  1 
ATOM   384  N NZ  . LYS A 1 86  ? -4.25843  -21.01088 -10.70118 1.000 77.41278  ? 663 LYS A NZ  1 
ATOM   385  N N   . GLY A 1 87  ? -2.99018  -16.26942 -7.57903  1.000 76.97633  ? 664 GLY A N   1 
ATOM   386  C CA  . GLY A 1 87  ? -2.40121  -16.72424 -6.34850  1.000 75.73373  ? 664 GLY A CA  1 
ATOM   387  C C   . GLY A 1 87  ? -1.24914  -17.64899 -6.64761  1.000 76.31687  ? 664 GLY A C   1 
ATOM   388  O O   . GLY A 1 87  ? -0.68650  -17.63232 -7.74251  1.000 73.35273  ? 664 GLY A O   1 
ATOM   389  N N   . GLN A 1 88  ? -0.91551  -18.46544 -5.65558  1.000 77.51471  ? 665 GLN A N   1 
ATOM   390  C CA  . GLN A 1 88  ? 0.24331   -19.33041 -5.76817  1.000 77.45981  ? 665 GLN A CA  1 
ATOM   391  C C   . GLN A 1 88  ? 0.19398   -20.11338 -7.07102  1.000 75.63490  ? 665 GLN A C   1 
ATOM   392  O O   . GLN A 1 88  ? -0.86951  -20.31112 -7.67111  1.000 76.64554  ? 665 GLN A O   1 
ATOM   393  C CB  . GLN A 1 88  ? 0.31460   -20.27901 -4.56548  1.000 84.07797  ? 665 GLN A CB  1 
ATOM   394  N N   . VAL A 1 89  ? 1.37052   -20.51456 -7.53547  1.000 71.73766  ? 666 VAL A N   1 
ATOM   395  C CA  . VAL A 1 89  ? 1.50597   -21.44509 -8.64215  1.000 66.41797  ? 666 VAL A CA  1 
ATOM   396  C C   . VAL A 1 89  ? 2.56591   -22.45037 -8.22292  1.000 62.74340  ? 666 VAL A C   1 
ATOM   397  O O   . VAL A 1 89  ? 3.56149   -22.08480 -7.59144  1.000 58.56693  ? 666 VAL A O   1 
ATOM   398  C CB  . VAL A 1 89  ? 1.87470   -20.72015 -9.95399  1.000 65.23909  ? 666 VAL A CB  1 
ATOM   399  C CG1 . VAL A 1 89  ? 3.13630   -19.88983 -9.75376  1.000 71.12172  ? 666 VAL A CG1 1 
ATOM   400  C CG2 . VAL A 1 89  ? 2.01536   -21.70063 -11.10082 1.000 62.69976  ? 666 VAL A CG2 1 
ATOM   401  N N   . VAL A 1 90  ? 2.31944   -23.72285 -8.49993  1.000 61.29780  ? 667 VAL A N   1 
ATOM   402  C CA  . VAL A 1 90  ? 3.21277   -24.75566 -7.99153  1.000 60.90832  ? 667 VAL A CA  1 
ATOM   403  C C   . VAL A 1 90  ? 4.41814   -24.94878 -8.90315  1.000 61.22890  ? 667 VAL A C   1 
ATOM   404  O O   . VAL A 1 90  ? 5.54153   -25.09469 -8.41822  1.000 57.42187  ? 667 VAL A O   1 
ATOM   405  C CB  . VAL A 1 90  ? 2.43478   -26.06994 -7.79033  1.000 65.29587  ? 667 VAL A CB  1 
ATOM   406  C CG1 . VAL A 1 90  ? 3.39318   -27.19991 -7.44275  1.000 66.28333  ? 667 VAL A CG1 1 
ATOM   407  C CG2 . VAL A 1 90  ? 1.41942   -25.89872 -6.66508  1.000 69.01253  ? 667 VAL A CG2 1 
ATOM   408  N N   . GLN A 1 91  ? 4.20715   -24.95322 -10.21456 1.000 55.12790  ? 668 GLN A N   1 
ATOM   409  C CA  . GLN A 1 91  ? 5.26582   -25.13231 -11.19975 1.000 54.81159  ? 668 GLN A CA  1 
ATOM   410  C C   . GLN A 1 91  ? 5.64180   -23.80281 -11.83941 1.000 53.75349  ? 668 GLN A C   1 
ATOM   411  O O   . GLN A 1 91  ? 4.79470   -22.93462 -12.04267 1.000 53.09527  ? 668 GLN A O   1 
ATOM   412  C CB  . GLN A 1 91  ? 4.83805   -26.10587 -12.30055 1.000 51.96971  ? 668 GLN A CB  1 
ATOM   413  C CG  . GLN A 1 91  ? 4.57262   -27.52127 -11.82034 1.000 58.23889  ? 668 GLN A CG  1 
ATOM   414  C CD  . GLN A 1 91  ? 4.15351   -28.45082 -12.94426 1.000 53.20168  ? 668 GLN A CD  1 
ATOM   415  O OE1 . GLN A 1 91  ? 3.10945   -28.26981 -13.56563 1.000 48.02303  ? 668 GLN A OE1 1 
ATOM   416  N NE2 . GLN A 1 91  ? 4.98890   -29.44306 -13.22548 1.000 53.52634  ? 668 GLN A NE2 1 
ATOM   417  N N   . THR A 1 92  ? 6.92060   -23.66379 -12.18441 1.000 51.03682  ? 669 THR A N   1 
ATOM   418  C CA  . THR A 1 92  ? 7.40889   -22.45121 -12.82276 1.000 48.85453  ? 669 THR A CA  1 
ATOM   419  C C   . THR A 1 92  ? 6.87789   -22.34596 -14.25170 1.000 46.37444  ? 669 THR A C   1 
ATOM   420  O O   . THR A 1 92  ? 6.35976   -23.30198 -14.83026 1.000 45.51296  ? 669 THR A O   1 
ATOM   421  C CB  . THR A 1 92  ? 8.93818   -22.43985 -12.84962 1.000 50.54556  ? 669 THR A CB  1 
ATOM   422  O OG1 . THR A 1 92  ? 9.38596   -23.49147 -13.71700 1.000 49.93751  ? 669 THR A OG1 1 
ATOM   423  C CG2 . THR A 1 92  ? 9.51019   -22.66305 -11.43876 1.000 55.25141  ? 669 THR A CG2 1 
ATOM   424  N N   . LEU A 1 93  ? 7.01875   -21.15830 -14.83569 1.000 47.79476  ? 670 LEU A N   1 
ATOM   425  C CA  . LEU A 1 93  ? 6.60860   -20.98519 -16.22595 1.000 46.12994  ? 670 LEU A CA  1 
ATOM   426  C C   . LEU A 1 93  ? 7.27837   -22.01637 -17.12380 1.000 44.08165  ? 670 LEU A C   1 
ATOM   427  O O   . LEU A 1 93  ? 6.61498   -22.64156 -17.95526 1.000 44.71037  ? 670 LEU A O   1 
ATOM   428  C CB  . LEU A 1 93  ? 6.91634   -19.55890 -16.69993 1.000 49.02967  ? 670 LEU A CB  1 
ATOM   429  C CG  . LEU A 1 93  ? 6.62059   -19.23441 -18.17249 1.000 47.65848  ? 670 LEU A CG  1 
ATOM   430  C CD1 . LEU A 1 93  ? 5.14100   -19.38813 -18.48134 1.000 43.34748  ? 670 LEU A CD1 1 
ATOM   431  C CD2 . LEU A 1 93  ? 7.07922   -17.83111 -18.51124 1.000 46.52006  ? 670 LEU A CD2 1 
ATOM   432  N N   . GLU A 1 94  ? 8.58724   -22.23680 -16.94770 1.000 48.43092  ? 671 GLU A N   1 
ATOM   433  C CA  . GLU A 1 94  ? 9.29343   -23.18459 -17.80569 1.000 49.08668  ? 671 GLU A CA  1 
ATOM   434  C C   . GLU A 1 94  ? 8.75118   -24.60305 -17.65352 1.000 47.50081  ? 671 GLU A C   1 
ATOM   435  O O   . GLU A 1 94  ? 8.57118   -25.31024 -18.65200 1.000 47.03989  ? 671 GLU A O   1 
ATOM   436  C CB  . GLU A 1 94  ? 10.80060  -23.12749 -17.53917 1.000 48.60016  ? 671 GLU A CB  1 
ATOM   437  C CG  . GLU A 1 94  ? 11.44212  -21.72602 -17.71056 1.000 57.75940  ? 671 GLU A CG  1 
ATOM   438  C CD  . GLU A 1 94  ? 10.97939  -20.61595 -16.72648 1.000 64.30109  ? 671 GLU A CD  1 
ATOM   439  O OE1 . GLU A 1 94  ? 10.58106  -20.91017 -15.56041 1.000 54.75339  ? 671 GLU A OE1 1 
ATOM   440  O OE2 . GLU A 1 94  ? 11.06658  -19.41884 -17.12949 1.000 66.93001  ? 671 GLU A OE2 1 
ATOM   441  N N   . GLU A 1 95  ? 8.45339   -25.02399 -16.42038 1.000 44.43653  ? 672 GLU A N   1 
ATOM   442  C CA  . GLU A 1 95  ? 7.88555   -26.34966 -16.18815 1.000 44.80202  ? 672 GLU A CA  1 
ATOM   443  C C   . GLU A 1 95  ? 6.48363   -26.47459 -16.78360 1.000 42.97749  ? 672 GLU A C   1 
ATOM   444  O O   . GLU A 1 95  ? 6.15082   -27.49211 -17.40850 1.000 44.25417  ? 672 GLU A O   1 
ATOM   445  C CB  . GLU A 1 95  ? 7.83377   -26.62779 -14.68403 1.000 48.29636  ? 672 GLU A CB  1 
ATOM   446  C CG  . GLU A 1 95  ? 9.17466   -26.85708 -14.04734 1.000 49.76745  ? 672 GLU A CG  1 
ATOM   447  C CD  . GLU A 1 95  ? 9.09573   -26.90193 -12.52929 1.000 57.65395  ? 672 GLU A CD  1 
ATOM   448  O OE1 . GLU A 1 95  ? 8.26927   -26.16546 -11.94527 1.000 54.87813  ? 672 GLU A OE1 1 
ATOM   449  O OE2 . GLU A 1 95  ? 9.91657   -27.61782 -11.91044 1.000 56.58107  ? 672 GLU A OE2 1 
ATOM   450  N N   . ARG A 1 96  ? 5.63225   -25.46307 -16.59703 1.000 43.23921  ? 673 ARG A N   1 
ATOM   451  C CA  . ARG A 1 96  ? 4.27953   -25.56306 -17.15164 1.000 41.05362  ? 673 ARG A CA  1 
ATOM   452  C C   . ARG A 1 96  ? 4.31788   -25.55805 -18.66948 1.000 42.60961  ? 673 ARG A C   1 
ATOM   453  O O   . ARG A 1 96  ? 3.49535   -26.21681 -19.32311 1.000 43.31497  ? 673 ARG A O   1 
ATOM   454  C CB  . ARG A 1 96  ? 3.39882   -24.42222 -16.63628 1.000 41.80774  ? 673 ARG A CB  1 
ATOM   455  C CG  . ARG A 1 96  ? 3.21991   -24.41712 -15.11686 1.000 45.83565  ? 673 ARG A CG  1 
ATOM   456  C CD  . ARG A 1 96  ? 2.39664   -23.24159 -14.61455 1.000 45.29557  ? 673 ARG A CD  1 
ATOM   457  N NE  . ARG A 1 96  ? 3.16492   -22.01244 -14.42062 1.000 47.65230  ? 673 ARG A NE  1 
ATOM   458  C CZ  . ARG A 1 96  ? 2.87571   -20.84788 -14.99067 1.000 47.02975  ? 673 ARG A CZ  1 
ATOM   459  N NH1 . ARG A 1 96  ? 1.85219   -20.71950 -15.82512 1.000 42.73409  ? 673 ARG A NH1 1 
ATOM   460  N NH2 . ARG A 1 96  ? 3.63230   -19.78653 -14.72076 1.000 45.34163  ? 673 ARG A NH2 1 
ATOM   461  N N   . THR A 1 97  ? 5.25259   -24.80634 -19.25319 1.000 41.14786  ? 674 THR A N   1 
ATOM   462  C CA  . THR A 1 97  ? 5.32852   -24.74073 -20.71099 1.000 42.74186  ? 674 THR A CA  1 
ATOM   463  C C   . THR A 1 97  ? 5.84013   -26.05340 -21.30125 1.000 44.16410  ? 674 THR A C   1 
ATOM   464  O O   . THR A 1 97  ? 5.33413   -26.51160 -22.33819 1.000 42.65212  ? 674 THR A O   1 
ATOM   465  C CB  . THR A 1 97  ? 6.21365   -23.56546 -21.14539 1.000 42.96104  ? 674 THR A CB  1 
ATOM   466  O OG1 . THR A 1 97  ? 5.68973   -22.34082 -20.61244 1.000 41.89666  ? 674 THR A OG1 1 
ATOM   467  C CG2 . THR A 1 97  ? 6.26646   -23.44754 -22.68063 1.000 40.21958  ? 674 THR A CG2 1 
ATOM   468  N N   . GLU A 1 98  ? 6.83368   -26.67338 -20.65576 1.000 45.15364  ? 675 GLU A N   1 
ATOM   469  C CA  . GLU A 1 98  ? 7.41411   -27.90449 -21.18947 1.000 46.78808  ? 675 GLU A CA  1 
ATOM   470  C C   . GLU A 1 98  ? 6.38791   -29.02948 -21.23028 1.000 45.30363  ? 675 GLU A C   1 
ATOM   471  O O   . GLU A 1 98  ? 6.34397   -29.80383 -22.19420 1.000 44.80375  ? 675 GLU A O   1 
ATOM   472  C CB  . GLU A 1 98  ? 8.63597   -28.32741 -20.36933 1.000 47.94541  ? 675 GLU A CB  1 
ATOM   473  C CG  . GLU A 1 98  ? 9.77560   -28.85837 -21.22484 1.000 48.95647  ? 675 GLU A CG  1 
ATOM   474  C CD  . GLU A 1 98  ? 10.90568  -29.43765 -20.41283 1.000 57.59728  ? 675 GLU A CD  1 
ATOM   475  O OE1 . GLU A 1 98  ? 11.35177  -30.57401 -20.71579 1.000 60.94983  ? 675 GLU A OE1 1 
ATOM   476  O OE2 . GLU A 1 98  ? 11.35199  -28.75065 -19.46245 1.000 55.89599  ? 675 GLU A OE2 1 
ATOM   477  N N   . THR A 1 99  ? 5.54656   -29.14096 -20.20053 1.000 42.03088  ? 676 THR A N   1 
ATOM   478  C CA  . THR A 1 99  ? 4.54610   -30.20075 -20.22184 1.000 42.88235  ? 676 THR A CA  1 
ATOM   479  C C   . THR A 1 99  ? 3.60042   -30.01933 -21.40543 1.000 41.44465  ? 676 THR A C   1 
ATOM   480  O O   . THR A 1 99  ? 3.27245   -30.98476 -22.10206 1.000 42.48752  ? 676 THR A O   1 
ATOM   481  C CB  . THR A 1 99  ? 3.74463   -30.22535 -18.91845 1.000 44.21154  ? 676 THR A CB  1 
ATOM   482  O OG1 . THR A 1 99  ? 4.63800   -30.34260 -17.82290 1.000 47.76052  ? 676 THR A OG1 1 
ATOM   483  C CG2 . THR A 1 99  ? 2.84127   -31.43505 -18.89489 1.000 46.51089  ? 676 THR A CG2 1 
ATOM   484  N N   . LEU A 1 100 ? 3.16172   -28.78102 -21.64073 1.000 40.39163  ? 677 LEU A N   1 
ATOM   485  C CA  . LEU A 1 100 ? 2.23944   -28.44656 -22.72635 1.000 42.70702  ? 677 LEU A CA  1 
ATOM   486  C C   . LEU A 1 100 ? 2.76645   -28.83745 -24.09651 1.000 41.22283  ? 677 LEU A C   1 
ATOM   487  O O   . LEU A 1 100 ? 1.97847   -29.16179 -24.99727 1.000 41.36242  ? 677 LEU A O   1 
ATOM   488  C CB  . LEU A 1 100 ? 1.95109   -26.94427 -22.65232 1.000 43.79006  ? 677 LEU A CB  1 
ATOM   489  C CG  . LEU A 1 100 ? 0.86118   -26.46576 -21.71235 1.000 43.83626  ? 677 LEU A CG  1 
ATOM   490  C CD1 . LEU A 1 100 ? 0.67326   -24.96866 -21.87275 1.000 45.07604  ? 677 LEU A CD1 1 
ATOM   491  C CD2 . LEU A 1 100 ? -0.41651  -27.11925 -22.21930 1.000 42.91055  ? 677 LEU A CD2 1 
ATOM   492  N N   . LYS A 1 101 ? 4.07984   -28.80267 -24.29783 1.000 41.37970  ? 678 LYS A N   1 
ATOM   493  C CA  . LYS A 1 101 ? 4.58013   -29.15750 -25.61842 1.000 42.51806  ? 678 LYS A CA  1 
ATOM   494  C C   . LYS A 1 101 ? 4.35769   -30.63340 -25.94165 1.000 43.87865  ? 678 LYS A C   1 
ATOM   495  O O   . LYS A 1 101 ? 4.40197   -31.00338 -27.12165 1.000 46.02314  ? 678 LYS A O   1 
ATOM   496  C CB  . LYS A 1 101 ? 6.06635   -28.77467 -25.73877 1.000 46.80429  ? 678 LYS A CB  1 
ATOM   497  C CG  . LYS A 1 101 ? 7.01948   -29.86398 -25.44900 1.000 49.56591  ? 678 LYS A CG  1 
ATOM   498  C CD  . LYS A 1 101 ? 8.45898   -29.44477 -25.81572 1.000 50.44099  ? 678 LYS A CD  1 
ATOM   499  C CE  . LYS A 1 101 ? 9.44753   -30.48631 -25.36167 1.000 51.60604  ? 678 LYS A CE  1 
ATOM   500  N NZ  . LYS A 1 101 ? 10.71003  -30.49510 -26.14036 1.000 57.37680  ? 678 LYS A NZ  1 
ATOM   501  N N   . HIS A 1 102 ? 4.05942   -31.46831 -24.94465 1.000 39.65370  ? 679 HIS A N   1 
ATOM   502  C CA  . HIS A 1 102 ? 3.80787   -32.88489 -25.17779 1.000 37.69614  ? 679 HIS A CA  1 
ATOM   503  C C   . HIS A 1 102 ? 2.34195   -33.19796 -25.44956 1.000 38.90641  ? 679 HIS A C   1 
ATOM   504  O O   . HIS A 1 102 ? 2.00327   -34.37140 -25.63211 1.000 41.36618  ? 679 HIS A O   1 
ATOM   505  C CB  . HIS A 1 102 ? 4.28515   -33.70346 -23.98361 1.000 38.31943  ? 679 HIS A CB  1 
ATOM   506  C CG  . HIS A 1 102 ? 5.76649   -33.63270 -23.76673 1.000 39.70672  ? 679 HIS A CG  1 
ATOM   507  N ND1 . HIS A 1 102 ? 6.64230   -34.51649 -24.34921 1.000 41.00048  ? 679 HIS A ND1 1 
ATOM   508  C CD2 . HIS A 1 102 ? 6.52171   -32.76457 -23.05586 1.000 43.11847  ? 679 HIS A CD2 1 
ATOM   509  C CE1 . HIS A 1 102 ? 7.87914   -34.21920 -23.97662 1.000 45.51139  ? 679 HIS A CE1 1 
ATOM   510  N NE2 . HIS A 1 102 ? 7.83051   -33.15165 -23.19729 1.000 41.87181  ? 679 HIS A NE2 1 
ATOM   511  N N   . ILE A 1 103 ? 1.47679   -32.20877 -25.45113 1.000 38.31575  ? 680 ILE A N   1 
ATOM   512  C CA  . ILE A 1 103 ? 0.03450   -32.44543 -25.58550 1.000 36.39607  ? 680 ILE A CA  1 
ATOM   513  C C   . ILE A 1 103 ? -0.34074  -32.37817 -27.05835 1.000 37.59506  ? 680 ILE A C   1 
ATOM   514  O O   . ILE A 1 103 ? 0.02455   -31.42972 -27.76352 1.000 39.06547  ? 680 ILE A O   1 
ATOM   515  C CB  . ILE A 1 103 ? -0.77694  -31.44107 -24.75239 1.000 37.46957  ? 680 ILE A CB  1 
ATOM   516  C CG1 . ILE A 1 103 ? -0.41679  -31.58156 -23.26022 1.000 35.64412  ? 680 ILE A CG1 1 
ATOM   517  C CG2 . ILE A 1 103 ? -2.30709  -31.67584 -24.96785 1.000 34.50181  ? 680 ILE A CG2 1 
ATOM   518  C CD1 . ILE A 1 103 ? -0.53707  -33.00918 -22.73495 1.000 40.31912  ? 680 ILE A CD1 1 
ATOM   519  N N   . ARG A 1 104 ? -1.07754  -33.39336 -27.51021 1.000 41.05831  ? 681 ARG A N   1 
ATOM   520  C CA  . ARG A 1 104 ? -1.37808  -33.60106 -28.92850 1.000 42.21185  ? 681 ARG A CA  1 
ATOM   521  C C   . ARG A 1 104 ? -2.06315  -32.40006 -29.56811 1.000 43.24464  ? 681 ARG A C   1 
ATOM   522  O O   . ARG A 1 104 ? -1.84247  -32.10980 -30.75565 1.000 41.79297  ? 681 ARG A O   1 
ATOM   523  C CB  . ARG A 1 104 ? -2.26599  -34.84147 -29.07440 1.000 44.91094  ? 681 ARG A CB  1 
ATOM   524  C CG  . ARG A 1 104 ? -2.66885  -35.17954 -30.49883 1.000 46.01779  ? 681 ARG A CG  1 
ATOM   525  C CD  . ARG A 1 104 ? -3.68679  -36.33900 -30.55907 1.000 48.08342  ? 681 ARG A CD  1 
ATOM   526  N NE  . ARG A 1 104 ? -3.33039  -37.48920 -29.73584 1.000 50.78181  ? 681 ARG A NE  1 
ATOM   527  C CZ  . ARG A 1 104 ? -2.54360  -38.49327 -30.11486 1.000 51.79727  ? 681 ARG A CZ  1 
ATOM   528  N NH1 . ARG A 1 104 ? -1.98851  -38.52871 -31.32036 1.000 54.31851  ? 681 ARG A NH1 1 
ATOM   529  N NH2 . ARG A 1 104 ? -2.32758  -39.50283 -29.27036 1.000 51.54159  ? 681 ARG A NH2 1 
ATOM   530  N N   . TRP A 1 105 ? -2.94193  -31.72456 -28.82701 1.000 39.23102  ? 682 TRP A N   1 
ATOM   531  C CA  . TRP A 1 105 ? -3.79923  -30.70087 -29.41111 1.000 41.87938  ? 682 TRP A CA  1 
ATOM   532  C C   . TRP A 1 105 ? -3.08687  -29.36325 -29.57650 1.000 40.40997  ? 682 TRP A C   1 
ATOM   533  O O   . TRP A 1 105 ? -3.57715  -28.50180 -30.31411 1.000 39.37828  ? 682 TRP A O   1 
ATOM   534  C CB  . TRP A 1 105 ? -5.05307  -30.51815 -28.53623 1.000 38.18863  ? 682 TRP A CB  1 
ATOM   535  C CG  . TRP A 1 105 ? -5.52442  -31.81286 -27.98531 1.000 39.51473  ? 682 TRP A CG  1 
ATOM   536  C CD1 . TRP A 1 105 ? -5.44878  -32.22297 -26.67918 1.000 39.65197  ? 682 TRP A CD1 1 
ATOM   537  C CD2 . TRP A 1 105 ? -6.07885  -32.90625 -28.72065 1.000 41.42393  ? 682 TRP A CD2 1 
ATOM   538  N NE1 . TRP A 1 105 ? -5.95527  -33.49422 -26.55829 1.000 39.16126  ? 682 TRP A NE1 1 
ATOM   539  C CE2 . TRP A 1 105 ? -6.35034  -33.93663 -27.79474 1.000 40.63011  ? 682 TRP A CE2 1 
ATOM   540  C CE3 . TRP A 1 105 ? -6.41113  -33.10479 -30.07300 1.000 39.13590  ? 682 TRP A CE3 1 
ATOM   541  C CZ2 . TRP A 1 105 ? -6.90544  -35.15048 -28.17815 1.000 43.56504  ? 682 TRP A CZ2 1 
ATOM   542  C CZ3 . TRP A 1 105 ? -6.95563  -34.31481 -30.45151 1.000 42.50090  ? 682 TRP A CZ3 1 
ATOM   543  C CH2 . TRP A 1 105 ? -7.22291  -35.31813 -29.50617 1.000 45.99709  ? 682 TRP A CH2 1 
ATOM   544  N N   . VAL A 1 106 ? -1.94213  -29.18244 -28.92895 1.000 38.46321  ? 683 VAL A N   1 
ATOM   545  C CA  . VAL A 1 106 ? -1.26634  -27.88967 -28.88621 1.000 36.11358  ? 683 VAL A CA  1 
ATOM   546  C C   . VAL A 1 106 ? -0.41020  -27.74851 -30.14345 1.000 40.64916  ? 683 VAL A C   1 
ATOM   547  O O   . VAL A 1 106 ? 0.51255   -28.53744 -30.36931 1.000 43.16640  ? 683 VAL A O   1 
ATOM   548  C CB  . VAL A 1 106 ? -0.41305  -27.76649 -27.61556 1.000 35.45125  ? 683 VAL A CB  1 
ATOM   549  C CG1 . VAL A 1 106 ? 0.34668   -26.42967 -27.59982 1.000 38.00220  ? 683 VAL A CG1 1 
ATOM   550  C CG2 . VAL A 1 106 ? -1.28588  -27.88506 -26.37029 1.000 37.88842  ? 683 VAL A CG2 1 
ATOM   551  N N   . ASP A 1 107 ? -0.70065  -26.73517 -30.95970 1.000 39.14461  ? 684 ASP A N   1 
ATOM   552  C CA  . ASP A 1 107 ? 0.07014   -26.46878 -32.16520 1.000 40.24068  ? 684 ASP A CA  1 
ATOM   553  C C   . ASP A 1 107 ? 1.17718   -25.44170 -31.94232 1.000 40.39995  ? 684 ASP A C   1 
ATOM   554  O O   . ASP A 1 107 ? 2.27217   -25.58784 -32.48380 1.000 41.90808  ? 684 ASP A O   1 
ATOM   555  C CB  . ASP A 1 107 ? -0.86280  -25.99305 -33.28124 1.000 39.07258  ? 684 ASP A CB  1 
ATOM   556  C CG  . ASP A 1 107 ? -1.89991  -27.04601 -33.67075 1.000 45.04880  ? 684 ASP A CG  1 
ATOM   557  O OD1 . ASP A 1 107 ? -1.50293  -28.21190 -33.87389 1.000 44.10019  ? 684 ASP A OD1 1 
ATOM   558  O OD2 . ASP A 1 107 ? -3.10807  -26.70961 -33.76385 1.000 42.92877  ? 684 ASP A OD2 1 
ATOM   559  N N   . GLU A 1 108 ? 0.90085   -24.38903 -31.18072 1.000 41.64872  ? 685 GLU A N   1 
ATOM   560  C CA  . GLU A 1 108 ? 1.86440   -23.32810 -30.94205 1.000 42.53566  ? 685 GLU A CA  1 
ATOM   561  C C   . GLU A 1 108 ? 1.68911   -22.85364 -29.51278 1.000 39.59232  ? 685 GLU A C   1 
ATOM   562  O O   . GLU A 1 108 ? 0.60825   -22.96995 -28.93127 1.000 38.50344  ? 685 GLU A O   1 
ATOM   563  C CB  . GLU A 1 108 ? 1.70280   -22.15458 -31.92019 1.000 39.26369  ? 685 GLU A CB  1 
ATOM   564  C CG  . GLU A 1 108 ? 1.69499   -22.58902 -33.38902 1.000 45.71050  ? 685 GLU A CG  1 
ATOM   565  C CD  . GLU A 1 108 ? 1.59857   -21.43561 -34.38264 1.000 50.96449  ? 685 GLU A CD  1 
ATOM   566  O OE1 . GLU A 1 108 ? 1.30135   -20.29863 -33.96935 1.000 51.01788  ? 685 GLU A OE1 1 
ATOM   567  O OE2 . GLU A 1 108 ? 1.81690   -21.67698 -35.59216 1.000 50.73781  ? 685 GLU A OE2 1 
ATOM   568  N N   . ILE A 1 109 ? 2.75775   -22.31931 -28.93763 1.000 40.03819  ? 686 ILE A N   1 
ATOM   569  C CA  . ILE A 1 109 ? 2.70201   -21.86150 -27.55597 1.000 37.33040  ? 686 ILE A CA  1 
ATOM   570  C C   . ILE A 1 109 ? 3.26994   -20.45609 -27.50498 1.000 37.81625  ? 686 ILE A C   1 
ATOM   571  O O   . ILE A 1 109 ? 4.33890   -20.18652 -28.07653 1.000 40.40601  ? 686 ILE A O   1 
ATOM   572  C CB  . ILE A 1 109 ? 3.47396   -22.79512 -26.60438 1.000 40.13113  ? 686 ILE A CB  1 
ATOM   573  C CG1 . ILE A 1 109 ? 2.73909   -24.12075 -26.42478 1.000 37.19824  ? 686 ILE A CG1 1 
ATOM   574  C CG2 . ILE A 1 109 ? 3.67966   -22.12646 -25.24197 1.000 40.40345  ? 686 ILE A CG2 1 
ATOM   575  C CD1 . ILE A 1 109 ? 3.47854   -25.12794 -25.56753 1.000 41.56029  ? 686 ILE A CD1 1 
ATOM   576  N N   . ILE A 1 110 ? 2.56355   -19.56869 -26.82579 1.000 36.17265  ? 687 ILE A N   1 
ATOM   577  C CA  . ILE A 1 110 ? 3.06303   -18.24798 -26.45735 1.000 39.39127  ? 687 ILE A CA  1 
ATOM   578  C C   . ILE A 1 110 ? 3.34917   -18.28575 -24.96580 1.000 40.46098  ? 687 ILE A C   1 
ATOM   579  O O   . ILE A 1 110 ? 2.41743   -18.29871 -24.15273 1.000 40.82069  ? 687 ILE A O   1 
ATOM   580  C CB  . ILE A 1 110 ? 2.06162   -17.13601 -26.78762 1.000 43.28767  ? 687 ILE A CB  1 
ATOM   581  C CG1 . ILE A 1 110 ? 1.78518   -17.09409 -28.29171 1.000 43.96041  ? 687 ILE A CG1 1 
ATOM   582  C CG2 . ILE A 1 110 ? 2.58993   -15.77467 -26.30602 1.000 45.88455  ? 687 ILE A CG2 1 
ATOM   583  C CD1 . ILE A 1 110 ? 0.71142   -16.10620 -28.66426 1.000 41.60426  ? 687 ILE A CD1 1 
ATOM   584  N N   . SER A 1 111 ? 4.63085   -18.28662 -24.59732 1.000 40.69926  ? 688 SER A N   1 
ATOM   585  C CA  . SER A 1 111 ? 5.02131   -18.39337 -23.19316 1.000 42.02958  ? 688 SER A CA  1 
ATOM   586  C C   . SER A 1 111 ? 6.18783   -17.46048 -22.90325 1.000 43.33059  ? 688 SER A C   1 
ATOM   587  O O   . SER A 1 111 ? 7.28786   -17.63838 -23.44663 1.000 43.23269  ? 688 SER A O   1 
ATOM   588  C CB  . SER A 1 111 ? 5.38418   -19.84369 -22.83684 1.000 40.18269  ? 688 SER A CB  1 
ATOM   589  O OG  . SER A 1 111 ? 5.96035   -19.95430 -21.53131 1.000 43.40097  ? 688 SER A OG  1 
ATOM   590  N N   . PRO A 1 112 ? 5.99101   -16.44257 -22.04869 1.000 44.30272  ? 689 PRO A N   1 
ATOM   591  C CA  . PRO A 1 112 ? 4.68860   -16.25059 -21.40519 1.000 45.54235  ? 689 PRO A CA  1 
ATOM   592  C C   . PRO A 1 112 ? 3.72797   -15.44357 -22.25535 1.000 44.43502  ? 689 PRO A C   1 
ATOM   593  O O   . PRO A 1 112 ? 4.14988   -14.73394 -23.17013 1.000 43.75647  ? 689 PRO A O   1 
ATOM   594  C CB  . PRO A 1 112 ? 5.03988   -15.47203 -20.14671 1.000 47.36495  ? 689 PRO A CB  1 
ATOM   595  C CG  . PRO A 1 112 ? 6.17958   -14.60899 -20.59729 1.000 48.75398  ? 689 PRO A CG  1 
ATOM   596  C CD  . PRO A 1 112 ? 6.98610   -15.48678 -21.55695 1.000 47.08927  ? 689 PRO A CD  1 
ATOM   597  N N   . CYS A 1 113 ? 2.44774   -15.51136 -21.92485 1.000 44.05351  ? 690 CYS A N   1 
ATOM   598  C CA  . CYS A 1 113 ? 1.44065   -14.74942 -22.61564 1.000 45.02855  ? 690 CYS A CA  1 
ATOM   599  C C   . CYS A 1 113 ? 0.98056   -13.58664 -21.75514 1.000 46.83299  ? 690 CYS A C   1 
ATOM   600  O O   . CYS A 1 113 ? 1.21198   -13.56242 -20.54051 1.000 49.30770  ? 690 CYS A O   1 
ATOM   601  C CB  . CYS A 1 113 ? 0.23956   -15.64133 -22.95459 1.000 43.84299  ? 690 CYS A CB  1 
ATOM   602  S SG  . CYS A 1 113 ? -0.64755  -16.22196 -21.47255 1.000 45.28903  ? 690 CYS A SG  1 
ATOM   603  N N   . PRO A 1 114 ? 0.32543   -12.59917 -22.35117 1.000 48.71403  ? 691 PRO A N   1 
ATOM   604  C CA  . PRO A 1 114 ? -0.21732  -11.49490 -21.55712 1.000 50.40962  ? 691 PRO A CA  1 
ATOM   605  C C   . PRO A 1 114 ? -1.35222  -11.99876 -20.67736 1.000 51.93606  ? 691 PRO A C   1 
ATOM   606  O O   . PRO A 1 114 ? -1.98781  -13.01756 -20.95898 1.000 49.93336  ? 691 PRO A O   1 
ATOM   607  C CB  . PRO A 1 114 ? -0.72145  -10.50938 -22.61860 1.000 54.35602  ? 691 PRO A CB  1 
ATOM   608  C CG  . PRO A 1 114 ? 0.01118   -10.90946 -23.89648 1.000 53.55112  ? 691 PRO A CG  1 
ATOM   609  C CD  . PRO A 1 114 ? 0.12302   -12.39737 -23.79586 1.000 50.02810  ? 691 PRO A CD  1 
ATOM   610  N N   . TRP A 1 115 ? -1.58505  -11.28573 -19.57789 1.000 53.00201  ? 692 TRP A N   1 
ATOM   611  C CA  . TRP A 1 115 ? -2.65406  -11.70368 -18.67403 1.000 57.02729  ? 692 TRP A CA  1 
ATOM   612  C C   . TRP A 1 115 ? -4.03225  -11.40321 -19.25742 1.000 56.73783  ? 692 TRP A C   1 
ATOM   613  O O   . TRP A 1 115 ? -4.94558  -12.22748 -19.15423 1.000 57.19330  ? 692 TRP A O   1 
ATOM   614  C CB  . TRP A 1 115 ? -2.50052  -11.03520 -17.31552 1.000 61.33378  ? 692 TRP A CB  1 
ATOM   615  C CG  . TRP A 1 115 ? -3.40495  -11.61369 -16.25796 1.000 61.80728  ? 692 TRP A CG  1 
ATOM   616  C CD1 . TRP A 1 115 ? -4.53544  -11.04938 -15.74630 1.000 66.52218  ? 692 TRP A CD1 1 
ATOM   617  C CD2 . TRP A 1 115 ? -3.24360  -12.87275 -15.58368 1.000 63.09637  ? 692 TRP A CD2 1 
ATOM   618  N NE1 . TRP A 1 115 ? -5.08015  -11.86986 -14.78747 1.000 65.62464  ? 692 TRP A NE1 1 
ATOM   619  C CE2 . TRP A 1 115 ? -4.31136  -12.99933 -14.67590 1.000 65.43566  ? 692 TRP A CE2 1 
ATOM   620  C CE3 . TRP A 1 115 ? -2.30013  -13.90285 -15.66235 1.000 60.39724  ? 692 TRP A CE3 1 
ATOM   621  C CZ2 . TRP A 1 115 ? -4.46297  -14.11480 -13.84989 1.000 65.23979  ? 692 TRP A CZ2 1 
ATOM   622  C CZ3 . TRP A 1 115 ? -2.44809  -15.00616 -14.84160 1.000 60.93534  ? 692 TRP A CZ3 1 
ATOM   623  C CH2 . TRP A 1 115 ? -3.52619  -15.10599 -13.94911 1.000 62.98853  ? 692 TRP A CH2 1 
ATOM   624  N N   . VAL A 1 116 ? -4.20736  -10.22725 -19.85154 1.000 55.93135  ? 693 VAL A N   1 
ATOM   625  C CA  . VAL A 1 116 ? -5.47515  -9.80808  -20.43341 1.000 55.37173  ? 693 VAL A CA  1 
ATOM   626  C C   . VAL A 1 116 ? -5.34271  -9.80867  -21.94888 1.000 53.33193  ? 693 VAL A C   1 
ATOM   627  O O   . VAL A 1 116 ? -4.37903  -9.25871  -22.49825 1.000 56.03017  ? 693 VAL A O   1 
ATOM   628  C CB  . VAL A 1 116 ? -5.90565  -8.42559  -19.91428 1.000 60.10452  ? 693 VAL A CB  1 
ATOM   629  C CG1 . VAL A 1 116 ? -5.94646  -8.39763  -18.37759 1.000 58.79968  ? 693 VAL A CG1 1 
ATOM   630  C CG2 . VAL A 1 116 ? -4.94567  -7.34042  -20.43072 1.000 63.60095  ? 693 VAL A CG2 1 
ATOM   631  N N   . VAL A 1 117 ? -6.31370  -10.41768 -22.62068 1.000 53.14045  ? 694 VAL A N   1 
ATOM   632  C CA  . VAL A 1 117 ? -6.35584  -10.43047 -24.07634 1.000 52.51032  ? 694 VAL A CA  1 
ATOM   633  C C   . VAL A 1 117 ? -6.80618  -9.06176  -24.57059 1.000 54.61887  ? 694 VAL A C   1 
ATOM   634  O O   . VAL A 1 117 ? -7.72119  -8.45090  -24.00790 1.000 53.56164  ? 694 VAL A O   1 
ATOM   635  C CB  . VAL A 1 117 ? -7.29233  -11.54650 -24.57213 1.000 54.21559  ? 694 VAL A CB  1 
ATOM   636  C CG1 . VAL A 1 117 ? -7.52583  -11.41552 -26.06203 1.000 49.59010  ? 694 VAL A CG1 1 
ATOM   637  C CG2 . VAL A 1 117 ? -6.71217  -12.91601 -24.24411 1.000 52.68234  ? 694 VAL A CG2 1 
ATOM   638  N N   . THR A 1 118 ? -6.14548  -8.55533  -25.61292 1.000 56.32642  ? 695 THR A N   1 
ATOM   639  C CA  . THR A 1 118 ? -6.50513  -7.27230  -26.19894 1.000 55.67957  ? 695 THR A CA  1 
ATOM   640  C C   . THR A 1 118 ? -6.80893  -7.42665  -27.68180 1.000 55.07906  ? 695 THR A C   1 
ATOM   641  O O   . THR A 1 118 ? -6.27691  -8.32873  -28.33243 1.000 52.18055  ? 695 THR A O   1 
ATOM   642  C CB  . THR A 1 118 ? -5.38283  -6.24300  -26.05196 1.000 55.37759  ? 695 THR A CB  1 
ATOM   643  O OG1 . THR A 1 118 ? -4.25391  -6.68384  -26.82012 1.000 57.06670  ? 695 THR A OG1 1 
ATOM   644  C CG2 . THR A 1 118 ? -4.98759  -6.06525  -24.58851 1.000 58.99894  ? 695 THR A CG2 1 
ATOM   645  N N   . PRO A 1 119 ? -7.64107  -6.54505  -28.24890 1.000 56.85716  ? 696 PRO A N   1 
ATOM   646  C CA  . PRO A 1 119 ? -7.82674  -6.55850  -29.71002 1.000 54.39204  ? 696 PRO A CA  1 
ATOM   647  C C   . PRO A 1 119 ? -6.50754  -6.53759  -30.47355 1.000 55.71961  ? 696 PRO A C   1 
ATOM   648  O O   . PRO A 1 119 ? -6.37370  -7.23624  -31.48597 1.000 52.70956  ? 696 PRO A O   1 
ATOM   649  C CB  . PRO A 1 119 ? -8.66056  -5.29382  -29.96709 1.000 59.73713  ? 696 PRO A CB  1 
ATOM   650  C CG  . PRO A 1 119 ? -9.36097  -5.02253  -28.67043 1.000 59.16644  ? 696 PRO A CG  1 
ATOM   651  C CD  . PRO A 1 119 ? -8.37921  -5.44518  -27.60372 1.000 58.41012  ? 696 PRO A CD  1 
ATOM   652  N N   . GLU A 1 120 ? -5.52492  -5.75852  -30.00030 1.000 55.82227  ? 697 GLU A N   1 
ATOM   653  C CA  . GLU A 1 120 ? -4.21768  -5.70392  -30.65486 1.000 56.76877  ? 697 GLU A CA  1 
ATOM   654  C C   . GLU A 1 120 ? -3.54013  -7.06738  -30.65585 1.000 54.11060  ? 697 GLU A C   1 
ATOM   655  O O   . GLU A 1 120 ? -2.84610  -7.42258  -31.61711 1.000 53.89996  ? 697 GLU A O   1 
ATOM   656  C CB  . GLU A 1 120 ? -3.30589  -4.66872  -29.97748 1.000 56.14084  ? 697 GLU A CB  1 
ATOM   657  C CG  . GLU A 1 120 ? -3.80553  -3.21801  -29.94764 1.000 61.52398  ? 697 GLU A CG  1 
ATOM   658  C CD  . GLU A 1 120 ? -5.14346  -3.03575  -29.24958 1.000 65.95624  ? 697 GLU A CD  1 
ATOM   659  O OE1 . GLU A 1 120 ? -5.44336  -3.83946  -28.33934 1.000 66.86591  ? 697 GLU A OE1 1 
ATOM   660  O OE2 . GLU A 1 120 ? -5.89254  -2.09539  -29.61662 1.000 69.54324  ? 697 GLU A OE2 1 
ATOM   661  N N   . PHE A 1 121 ? -3.70255  -7.83116  -29.57378 1.000 50.38623  ? 698 PHE A N   1 
ATOM   662  C CA  . PHE A 1 121 ? -3.09205  -9.15473  -29.49438 1.000 51.95641  ? 698 PHE A CA  1 
ATOM   663  C C   . PHE A 1 121 ? -3.66945  -10.08230 -30.55734 1.000 51.74007  ? 698 PHE A C   1 
ATOM   664  O O   . PHE A 1 121 ? -2.92146  -10.78068 -31.25380 1.000 47.28817  ? 698 PHE A O   1 
ATOM   665  C CB  . PHE A 1 121 ? -3.29176  -9.70704  -28.07979 1.000 48.95698  ? 698 PHE A CB  1 
ATOM   666  C CG  . PHE A 1 121 ? -2.72454  -11.08052 -27.84335 1.000 49.25123  ? 698 PHE A CG  1 
ATOM   667  C CD1 . PHE A 1 121 ? -1.38930  -11.25263 -27.49350 1.000 46.34229  ? 698 PHE A CD1 1 
ATOM   668  C CD2 . PHE A 1 121 ? -3.54428  -12.20008 -27.89735 1.000 44.45256  ? 698 PHE A CD2 1 
ATOM   669  C CE1 . PHE A 1 121 ? -0.88400  -12.52413 -27.23820 1.000 44.42744  ? 698 PHE A CE1 1 
ATOM   670  C CE2 . PHE A 1 121 ? -3.05069  -13.46729 -27.64063 1.000 45.41468  ? 698 PHE A CE2 1 
ATOM   671  C CZ  . PHE A 1 121 ? -1.69962  -13.62744 -27.31969 1.000 47.11778  ? 698 PHE A CZ  1 
ATOM   672  N N   . LEU A 1 122 ? -5.00007  -10.07222 -30.72228 1.000 47.45510  ? 699 LEU A N   1 
ATOM   673  C CA  . LEU A 1 122 ? -5.63861  -10.88576 -31.75493 1.000 49.25591  ? 699 LEU A CA  1 
ATOM   674  C C   . LEU A 1 122 ? -5.10267  -10.56906 -33.14951 1.000 50.19113  ? 699 LEU A C   1 
ATOM   675  O O   . LEU A 1 122 ? -4.91059  -11.47566 -33.96635 1.000 48.28753  ? 699 LEU A O   1 
ATOM   676  C CB  . LEU A 1 122 ? -7.15484  -10.67340 -31.73291 1.000 50.31302  ? 699 LEU A CB  1 
ATOM   677  C CG  . LEU A 1 122 ? -7.77450  -10.90338 -30.35606 1.000 50.14612  ? 699 LEU A CG  1 
ATOM   678  C CD1 . LEU A 1 122 ? -9.27728  -10.60103 -30.41994 1.000 55.34388  ? 699 LEU A CD1 1 
ATOM   679  C CD2 . LEU A 1 122 ? -7.48875  -12.32231 -29.83128 1.000 47.14002  ? 699 LEU A CD2 1 
ATOM   680  N N   . GLU A 1 123 ? -4.88837  -9.28805  -33.45672 1.000 51.30184  ? 700 GLU A N   1 
ATOM   681  C CA  . GLU A 1 123 ? -4.39846  -8.93529  -34.78425 1.000 55.18140  ? 700 GLU A CA  1 
ATOM   682  C C   . GLU A 1 123 ? -2.93128  -9.32755  -34.94507 1.000 56.38376  ? 700 GLU A C   1 
ATOM   683  O O   . GLU A 1 123 ? -2.52376  -9.80930  -36.00826 1.000 59.24150  ? 700 GLU A O   1 
ATOM   684  C CB  . GLU A 1 123 ? -4.59550  -7.44070  -35.02158 1.000 57.66654  ? 700 GLU A CB  1 
ATOM   685  C CG  . GLU A 1 123 ? -4.79816  -7.00661  -36.47076 1.000 69.02246  ? 700 GLU A CG  1 
ATOM   686  C CD  . GLU A 1 123 ? -6.00900  -7.66761  -37.13451 1.000 74.24215  ? 700 GLU A CD  1 
ATOM   687  O OE1 . GLU A 1 123 ? -5.87638  -8.15109  -38.28413 1.000 79.17109  ? 700 GLU A OE1 1 
ATOM   688  O OE2 . GLU A 1 123 ? -7.08072  -7.73675  -36.48672 1.000 76.54935  ? 700 GLU A OE2 1 
ATOM   689  N N   . LYS A 1 124 ? -2.12381  -9.12516  -33.90226 1.000 55.56098  ? 701 LYS A N   1 
ATOM   690  C CA  . LYS A 1 124 ? -0.70369  -9.45653  -33.98207 1.000 55.41568  ? 701 LYS A CA  1 
ATOM   691  C C   . LYS A 1 124 ? -0.50203  -10.92369 -34.33515 1.000 53.59635  ? 701 LYS A C   1 
ATOM   692  O O   . LYS A 1 124 ? 0.30463   -11.25040 -35.21131 1.000 55.56148  ? 701 LYS A O   1 
ATOM   693  C CB  . LYS A 1 124 ? -0.01761  -9.13206  -32.65714 1.000 54.66919  ? 701 LYS A CB  1 
ATOM   694  C CG  . LYS A 1 124 ? 1.45395   -9.52688  -32.62164 1.000 57.62719  ? 701 LYS A CG  1 
ATOM   695  C CD  . LYS A 1 124 ? 2.00338   -9.50612  -31.20102 1.000 58.36288  ? 701 LYS A CD  1 
ATOM   696  C CE  . LYS A 1 124 ? 3.52886   -9.38842  -31.20350 1.000 62.60582  ? 701 LYS A CE  1 
ATOM   697  N NZ  . LYS A 1 124 ? 4.07391   -9.49265  -29.81683 1.000 63.03278  ? 701 LYS A NZ  1 
ATOM   698  N N   . TYR A 1 125 ? -1.24737  -11.81383 -33.68427 1.000 50.82819  ? 702 TYR A N   1 
ATOM   699  C CA  . TYR A 1 125 ? -1.12736  -13.25537 -33.86428 1.000 50.83415  ? 702 TYR A CA  1 
ATOM   700  C C   . TYR A 1 125 ? -2.17884  -13.83968 -34.81133 1.000 48.59435  ? 702 TYR A C   1 
ATOM   701  O O   . TYR A 1 125 ? -2.25284  -15.06586 -34.94936 1.000 47.07401  ? 702 TYR A O   1 
ATOM   702  C CB  . TYR A 1 125 ? -1.19022  -13.94692 -32.49829 1.000 49.35154  ? 702 TYR A CB  1 
ATOM   703  C CG  . TYR A 1 125 ? -0.01295  -13.60698 -31.59752 1.000 51.67372  ? 702 TYR A CG  1 
ATOM   704  C CD1 . TYR A 1 125 ? 1.21194   -14.25333 -31.74498 1.000 53.34612  ? 702 TYR A CD1 1 
ATOM   705  C CD2 . TYR A 1 125 ? -0.11621  -12.62795 -30.61523 1.000 52.48220  ? 702 TYR A CD2 1 
ATOM   706  C CE1 . TYR A 1 125 ? 2.29795   -13.94195 -30.91973 1.000 53.85402  ? 702 TYR A CE1 1 
ATOM   707  C CE2 . TYR A 1 125 ? 0.96903   -12.30547 -29.79161 1.000 50.31715  ? 702 TYR A CE2 1 
ATOM   708  C CZ  . TYR A 1 125 ? 2.16606   -12.97083 -29.94176 1.000 53.06600  ? 702 TYR A CZ  1 
ATOM   709  O OH  . TYR A 1 125 ? 3.24408   -12.64636 -29.12856 1.000 56.22664  ? 702 TYR A OH  1 
ATOM   710  N N   . LYS A 1 126 ? -2.98407  -12.99100 -35.46569 1.000 50.50114  ? 703 LYS A N   1 
ATOM   711  C CA  . LYS A 1 126 ? -3.98429  -13.42908 -36.44527 1.000 49.18036  ? 703 LYS A CA  1 
ATOM   712  C C   . LYS A 1 126 ? -4.93607  -14.46873 -35.85622 1.000 48.13317  ? 703 LYS A C   1 
ATOM   713  O O   . LYS A 1 126 ? -5.25091  -15.47674 -36.49903 1.000 49.48687  ? 703 LYS A O   1 
ATOM   714  C CB  . LYS A 1 126 ? -3.31371  -13.97831 -37.70489 1.000 53.12322  ? 703 LYS A CB  1 
ATOM   715  C CG  . LYS A 1 126 ? -2.14706  -13.13649 -38.18531 1.000 54.02551  ? 703 LYS A CG  1 
ATOM   716  C CD  . LYS A 1 126 ? -2.59023  -11.70488 -38.45196 1.000 59.54478  ? 703 LYS A CD  1 
ATOM   717  C CE  . LYS A 1 126 ? -1.44305  -10.82975 -38.96229 1.000 66.39806  ? 703 LYS A CE  1 
ATOM   718  N NZ  . LYS A 1 126 ? -0.89472  -11.26791 -40.28500 1.000 76.07059  ? 703 LYS A NZ  1 
ATOM   719  N N   . ILE A 1 127 ? -5.40075  -14.22082 -34.63422 1.000 43.74541  ? 704 ILE A N   1 
ATOM   720  C CA  . ILE A 1 127 ? -6.23380  -15.16964 -33.90740 1.000 44.28377  ? 704 ILE A CA  1 
ATOM   721  C C   . ILE A 1 127 ? -7.68859  -14.95494 -34.33596 1.000 43.64157  ? 704 ILE A C   1 
ATOM   722  O O   . ILE A 1 127 ? -8.18817  -13.81824 -34.35152 1.000 43.34358  ? 704 ILE A O   1 
ATOM   723  C CB  . ILE A 1 127 ? -6.07581  -14.97593 -32.39316 1.000 45.27020  ? 704 ILE A CB  1 
ATOM   724  C CG1 . ILE A 1 127 ? -4.76913  -15.60415 -31.91384 1.000 41.47896  ? 704 ILE A CG1 1 
ATOM   725  C CG2 . ILE A 1 127 ? -7.20132  -15.68804 -31.63721 1.000 40.78637  ? 704 ILE A CG2 1 
ATOM   726  C CD1 . ILE A 1 127 ? -4.20421  -14.90409 -30.66714 1.000 43.71534  ? 704 ILE A CD1 1 
ATOM   727  N N   . ASP A 1 128 ? -8.37490  -16.03857 -34.69454 1.000 40.78109  ? 705 ASP A N   1 
ATOM   728  C CA  . ASP A 1 128 ? -9.77275  -15.91927 -35.10574 1.000 41.95790  ? 705 ASP A CA  1 
ATOM   729  C C   . ASP A 1 128 ? -10.76227 -16.06775 -33.95273 1.000 43.05866  ? 705 ASP A C   1 
ATOM   730  O O   . ASP A 1 128 ? -11.82497 -15.42388 -33.96752 1.000 43.35041  ? 705 ASP A O   1 
ATOM   731  C CB  . ASP A 1 128 ? -10.08957 -16.95960 -36.17306 1.000 42.59439  ? 705 ASP A CB  1 
ATOM   732  C CG  . ASP A 1 128 ? -9.24113  -16.77257 -37.42066 1.000 46.11232  ? 705 ASP A CG  1 
ATOM   733  O OD1 . ASP A 1 128 ? -9.30913  -15.69223 -38.02024 1.000 47.69429  ? 705 ASP A OD1 1 
ATOM   734  O OD2 . ASP A 1 128 ? -8.50747  -17.69813 -37.78910 1.000 46.21117  ? 705 ASP A OD2 1 
ATOM   735  N N   . TYR A 1 129 ? -10.44639 -16.88669 -32.95149 1.000 38.46874  ? 706 TYR A N   1 
ATOM   736  C CA  . TYR A 1 129 ? -11.36071 -17.08773 -31.83305 1.000 41.75505  ? 706 TYR A CA  1 
ATOM   737  C C   . TYR A 1 129 ? -10.55231 -17.33571 -30.57099 1.000 40.98800  ? 706 TYR A C   1 
ATOM   738  O O   . TYR A 1 129 ? -9.44414  -17.88281 -30.62237 1.000 42.04742  ? 706 TYR A O   1 
ATOM   739  C CB  . TYR A 1 129 ? -12.31676 -18.28066 -32.05997 1.000 40.77888  ? 706 TYR A CB  1 
ATOM   740  C CG  . TYR A 1 129 ? -13.16722 -18.21487 -33.31013 1.000 42.40876  ? 706 TYR A CG  1 
ATOM   741  C CD1 . TYR A 1 129 ? -12.68197 -18.68836 -34.52474 1.000 40.93028  ? 706 TYR A CD1 1 
ATOM   742  C CD2 . TYR A 1 129 ? -14.45632 -17.71212 -33.27060 1.000 41.40321  ? 706 TYR A CD2 1 
ATOM   743  C CE1 . TYR A 1 129 ? -13.45390 -18.63494 -35.67694 1.000 42.05552  ? 706 TYR A CE1 1 
ATOM   744  C CE2 . TYR A 1 129 ? -15.24743 -17.65287 -34.42949 1.000 41.87401  ? 706 TYR A CE2 1 
ATOM   745  C CZ  . TYR A 1 129 ? -14.72191 -18.12504 -35.62357 1.000 40.99620  ? 706 TYR A CZ  1 
ATOM   746  O OH  . TYR A 1 129 ? -15.45293 -18.08020 -36.77039 1.000 43.54516  ? 706 TYR A OH  1 
ATOM   747  N N   . VAL A 1 130 ? -11.13374 -16.94424 -29.43897 1.000 42.13333  ? 707 VAL A N   1 
ATOM   748  C CA  . VAL A 1 130 ? -10.57925 -17.19544 -28.11528 1.000 44.17631  ? 707 VAL A CA  1 
ATOM   749  C C   . VAL A 1 130 ? -11.47369 -18.22046 -27.43061 1.000 44.88065  ? 707 VAL A C   1 
ATOM   750  O O   . VAL A 1 130 ? -12.69911 -18.03599 -27.34688 1.000 43.64930  ? 707 VAL A O   1 
ATOM   751  C CB  . VAL A 1 130 ? -10.47252 -15.90212 -27.29442 1.000 45.57972  ? 707 VAL A CB  1 
ATOM   752  C CG1 . VAL A 1 130 ? -10.10485 -16.20623 -25.82772 1.000 46.85292  ? 707 VAL A CG1 1 
ATOM   753  C CG2 . VAL A 1 130 ? -9.44306  -14.97724 -27.93018 1.000 44.15272  ? 707 VAL A CG2 1 
ATOM   754  N N   . ALA A 1 131 ? -10.87663 -19.32671 -26.99679 1.000 40.62431  ? 708 ALA A N   1 
ATOM   755  C CA  . ALA A 1 131 ? -11.60393 -20.40428 -26.33545 1.000 45.16434  ? 708 ALA A CA  1 
ATOM   756  C C   . ALA A 1 131 ? -11.42053 -20.26687 -24.83266 1.000 49.70473  ? 708 ALA A C   1 
ATOM   757  O O   . ALA A 1 131 ? -10.28907 -20.30232 -24.34386 1.000 48.63609  ? 708 ALA A O   1 
ATOM   758  C CB  . ALA A 1 131 ? -11.10241 -21.77046 -26.80628 1.000 45.94298  ? 708 ALA A CB  1 
ATOM   759  N N   . HIS A 1 132 ? -12.52643 -20.11650 -24.11247 1.000 53.18152  ? 709 HIS A N   1 
ATOM   760  C CA  . HIS A 1 132 ? -12.52791 -19.94168 -22.66572 1.000 57.07335  ? 709 HIS A CA  1 
ATOM   761  C C   . HIS A 1 132 ? -13.66529 -20.75359 -22.05913 1.000 63.30369  ? 709 HIS A C   1 
ATOM   762  O O   . HIS A 1 132 ? -14.68976 -20.99942 -22.70676 1.000 59.99327  ? 709 HIS A O   1 
ATOM   763  C CB  . HIS A 1 132 ? -12.72239 -18.47956 -22.25821 1.000 61.00821  ? 709 HIS A CB  1 
ATOM   764  C CG  . HIS A 1 132 ? -12.50025 -18.23312 -20.79856 1.000 67.57212  ? 709 HIS A CG  1 
ATOM   765  N ND1 . HIS A 1 132 ? -13.27650 -17.36081 -20.06244 1.000 73.31143  ? 709 HIS A ND1 1 
ATOM   766  C CD2 . HIS A 1 132 ? -11.52609 -18.66688 -19.96201 1.000 67.82630  ? 709 HIS A CD2 1 
ATOM   767  C CE1 . HIS A 1 132 ? -12.84440 -17.33569 -18.81347 1.000 72.48448  ? 709 HIS A CE1 1 
ATOM   768  N NE2 . HIS A 1 132 ? -11.77730 -18.11279 -18.72842 1.000 75.47575  ? 709 HIS A NE2 1 
ATOM   769  N N   . ASP A 1 133 ? -13.50613 -21.12828 -20.78404 1.000 63.79432  ? 710 ASP A N   1 
ATOM   770  C CA  . ASP A 1 133 ? -14.57101 -21.85048 -20.09732 1.000 67.98933  ? 710 ASP A CA  1 
ATOM   771  C C   . ASP A 1 133 ? -15.68871 -20.93925 -19.59832 1.000 72.15853  ? 710 ASP A C   1 
ATOM   772  O O   . ASP A 1 133 ? -16.72729 -21.44929 -19.16376 1.000 79.21945  ? 710 ASP A O   1 
ATOM   773  C CB  . ASP A 1 133 ? -14.01020 -22.65681 -18.91511 1.000 69.00353  ? 710 ASP A CB  1 
ATOM   774  C CG  . ASP A 1 133 ? -12.94476 -21.90161 -18.14749 1.000 72.47457  ? 710 ASP A CG  1 
ATOM   775  O OD1 . ASP A 1 133 ? -13.20982 -20.75437 -17.72996 1.000 76.71455  ? 710 ASP A OD1 1 
ATOM   776  O OD2 . ASP A 1 133 ? -11.84245 -22.45262 -17.95195 1.000 76.45521  ? 710 ASP A OD2 1 
ATOM   777  N N   . ASP A 1 134 ? -15.51194 -19.61675 -19.65061 1.000 72.74643  ? 711 ASP A N   1 
ATOM   778  C CA  . ASP A 1 134 ? -16.47547 -18.65781 -19.10626 1.000 77.21798  ? 711 ASP A CA  1 
ATOM   779  C C   . ASP A 1 134 ? -16.67368 -18.82187 -17.59904 1.000 81.09193  ? 711 ASP A C   1 
ATOM   780  O O   . ASP A 1 134 ? -17.68789 -18.37505 -17.05053 1.000 85.49752  ? 711 ASP A O   1 
ATOM   781  C CB  . ASP A 1 134 ? -17.82715 -18.75004 -19.83025 1.000 74.96074  ? 711 ASP A CB  1 
ATOM   782  N N   . ILE A 1 135 ? -15.72751 -19.45226 -16.90652 1.000 81.59597  ? 712 ILE A N   1 
ATOM   783  C CA  . ILE A 1 135 ? -15.77682 -19.62080 -15.45949 1.000 83.67146  ? 712 ILE A CA  1 
ATOM   784  C C   . ILE A 1 135 ? -14.86424 -18.56506 -14.83431 1.000 90.98505  ? 712 ILE A C   1 
ATOM   785  O O   . ILE A 1 135 ? -13.65320 -18.57466 -15.11804 1.000 90.09003  ? 712 ILE A O   1 
ATOM   786  C CB  . ILE A 1 135 ? -15.36175 -21.03505 -15.02851 1.000 80.63759  ? 712 ILE A CB  1 
ATOM   787  N N   . PRO A 1 136 ? -15.37624 -17.67784 -13.99023 1.000 94.88742  ? 713 PRO A N   1 
ATOM   788  C CA  . PRO A 1 136 ? -14.62867 -16.46241 -13.65479 1.000 96.50194  ? 713 PRO A CA  1 
ATOM   789  C C   . PRO A 1 136 ? -13.28052 -16.76145 -13.01027 1.000 100.32584 ? 713 PRO A C   1 
ATOM   790  O O   . PRO A 1 136 ? -13.06187 -17.80927 -12.39712 1.000 96.82080  ? 713 PRO A O   1 
ATOM   791  C CB  . PRO A 1 136 ? -15.56421 -15.72915 -12.68530 1.000 99.36138  ? 713 PRO A CB  1 
ATOM   792  N N   . TYR A 1 137 ? -12.36441 -15.81041 -13.17157 1.000 103.60586 ? 714 TYR A N   1 
ATOM   793  C CA  . TYR A 1 137 ? -11.04315 -15.87413 -12.55836 1.000 105.77267 ? 714 TYR A CA  1 
ATOM   794  C C   . TYR A 1 137 ? -10.50375 -14.45678 -12.42148 1.000 109.24676 ? 714 TYR A C   1 
ATOM   795  O O   . TYR A 1 137 ? -10.94338 -13.55261 -13.13905 1.000 109.23824 ? 714 TYR A O   1 
ATOM   796  C CB  . TYR A 1 137 ? -10.08751 -16.74008 -13.38721 1.000 100.75604 ? 714 TYR A CB  1 
ATOM   797  N N   . ASP A 1 144 ? -17.82468 -9.20519  -16.85593 1.000 84.29955  ? 739 ASP A N   1 
ATOM   798  C CA  . ASP A 1 144 ? -17.38300 -10.14364 -17.87790 1.000 81.45990  ? 739 ASP A CA  1 
ATOM   799  C C   . ASP A 1 144 ? -16.35562 -9.48394  -18.80504 1.000 80.55577  ? 739 ASP A C   1 
ATOM   800  O O   . ASP A 1 144 ? -16.71523 -8.79308  -19.75629 1.000 78.72329  ? 739 ASP A O   1 
ATOM   801  C CB  . ASP A 1 144 ? -18.57617 -10.66659 -18.68426 1.000 80.21478  ? 739 ASP A CB  1 
ATOM   802  C CG  . ASP A 1 144 ? -18.19242 -11.79955 -19.63210 1.000 81.39238  ? 739 ASP A CG  1 
ATOM   803  O OD1 . ASP A 1 144 ? -17.02511 -12.25334 -19.57894 1.000 81.03121  ? 739 ASP A OD1 1 
ATOM   804  O OD2 . ASP A 1 144 ? -19.04989 -12.22887 -20.44468 1.000 77.83455  ? 739 ASP A OD2 1 
ATOM   805  N N   . ILE A 1 145 ? -15.06942 -9.70718  -18.51857 1.000 77.85415  ? 740 ILE A N   1 
ATOM   806  C CA  . ILE A 1 145 ? -13.99579 -9.08096  -19.28535 1.000 75.91602  ? 740 ILE A CA  1 
ATOM   807  C C   . ILE A 1 145 ? -13.98555 -9.55698  -20.73019 1.000 71.54857  ? 740 ILE A C   1 
ATOM   808  O O   . ILE A 1 145 ? -13.35863 -8.92540  -21.58929 1.000 70.93106  ? 740 ILE A O   1 
ATOM   809  C CB  . ILE A 1 145 ? -12.63322 -9.34714  -18.60301 1.000 76.68242  ? 740 ILE A CB  1 
ATOM   810  N N   . TYR A 1 146 ? -14.67649 -10.65728 -21.01719 1.000 70.60741  ? 741 TYR A N   1 
ATOM   811  C CA  . TYR A 1 146 ? -14.77860 -11.26578 -22.33360 1.000 67.06902  ? 741 TYR A CA  1 
ATOM   812  C C   . TYR A 1 146 ? -16.02047 -10.83793 -23.11695 1.000 62.33041  ? 741 TYR A C   1 
ATOM   813  O O   . TYR A 1 146 ? -16.22404 -11.32080 -24.23218 1.000 55.91070  ? 741 TYR A O   1 
ATOM   814  C CB  . TYR A 1 146 ? -14.75773 -12.78606 -22.17498 1.000 67.72846  ? 741 TYR A CB  1 
ATOM   815  C CG  . TYR A 1 146 ? -13.42718 -13.35367 -21.72488 1.000 68.53126  ? 741 TYR A CG  1 
ATOM   816  C CD1 . TYR A 1 146 ? -12.35832 -13.43020 -22.60845 1.000 68.86307  ? 741 TYR A CD1 1 
ATOM   817  C CD2 . TYR A 1 146 ? -13.22755 -13.78245 -20.42158 1.000 69.48446  ? 741 TYR A CD2 1 
ATOM   818  C CE1 . TYR A 1 146 ? -11.12892 -13.95454 -22.21856 1.000 68.98172  ? 741 TYR A CE1 1 
ATOM   819  C CE2 . TYR A 1 146 ? -12.00618 -14.30375 -20.02068 1.000 70.30200  ? 741 TYR A CE2 1 
ATOM   820  C CZ  . TYR A 1 146 ? -10.95859 -14.38636 -20.92728 1.000 70.60688  ? 741 TYR A CZ  1 
ATOM   821  O OH  . TYR A 1 146 ? -9.73679  -14.89905 -20.54286 1.000 68.62285  ? 741 TYR A OH  1 
ATOM   822  N N   . ALA A 1 147 ? -16.84908 -9.94385  -22.57298 1.000 65.24097  ? 742 ALA A N   1 
ATOM   823  C CA  . ALA A 1 147 ? -18.01499 -9.47725  -23.31984 1.000 62.54196  ? 742 ALA A CA  1 
ATOM   824  C C   . ALA A 1 147 ? -17.61714 -8.91231  -24.68075 1.000 57.03404  ? 742 ALA A C   1 
ATOM   825  O O   . ALA A 1 147 ? -18.31397 -9.13059  -25.67614 1.000 50.73145  ? 742 ALA A O   1 
ATOM   826  C CB  . ALA A 1 147 ? -18.77785 -8.43437  -22.50551 1.000 65.12804  ? 742 ALA A CB  1 
ATOM   827  N N   . TRP A 1 148 ? -16.48874 -8.19592  -24.75378 1.000 54.98483  ? 743 TRP A N   1 
ATOM   828  C CA  . TRP A 1 148 ? -16.09514 -7.62712  -26.03769 1.000 52.95573  ? 743 TRP A CA  1 
ATOM   829  C C   . TRP A 1 148 ? -15.80343 -8.71233  -27.06120 1.000 52.77082  ? 743 TRP A C   1 
ATOM   830  O O   . TRP A 1 148 ? -16.05483 -8.51325  -28.25595 1.000 52.13628  ? 743 TRP A O   1 
ATOM   831  C CB  . TRP A 1 148 ? -14.88852 -6.69770  -25.87574 1.000 57.02535  ? 743 TRP A CB  1 
ATOM   832  C CG  . TRP A 1 148 ? -13.56694 -7.35733  -25.57855 1.000 57.82189  ? 743 TRP A CG  1 
ATOM   833  C CD1 . TRP A 1 148 ? -13.04781 -7.62245  -24.34317 1.000 62.77980  ? 743 TRP A CD1 1 
ATOM   834  C CD2 . TRP A 1 148 ? -12.55313 -7.73970  -26.52672 1.000 55.35379  ? 743 TRP A CD2 1 
ATOM   835  N NE1 . TRP A 1 148 ? -11.79681 -8.18266  -24.46069 1.000 61.56708  ? 743 TRP A NE1 1 
ATOM   836  C CE2 . TRP A 1 148 ? -11.47149 -8.26969  -25.78992 1.000 58.93548  ? 743 TRP A CE2 1 
ATOM   837  C CE3 . TRP A 1 148 ? -12.46923 -7.70762  -27.92502 1.000 57.46408  ? 743 TRP A CE3 1 
ATOM   838  C CZ2 . TRP A 1 148 ? -10.29644 -8.75153  -26.40570 1.000 58.93930  ? 743 TRP A CZ2 1 
ATOM   839  C CZ3 . TRP A 1 148 ? -11.31598 -8.19693  -28.53993 1.000 57.57991  ? 743 TRP A CZ3 1 
ATOM   840  C CH2 . TRP A 1 148 ? -10.23745 -8.70394  -27.77458 1.000 57.56516  ? 743 TRP A CH2 1 
ATOM   841  N N   . LEU A 1 149 ? -15.28737 -9.86646  -26.62546 1.000 50.01286  ? 744 LEU A N   1 
ATOM   842  C CA  . LEU A 1 149 ? -15.07041 -10.96615 -27.56680 1.000 49.37391  ? 744 LEU A CA  1 
ATOM   843  C C   . LEU A 1 149 ? -16.39252 -11.55915 -28.04619 1.000 46.44713  ? 744 LEU A C   1 
ATOM   844  O O   . LEU A 1 149 ? -16.56080 -11.84275 -29.23846 1.000 45.32117  ? 744 LEU A O   1 
ATOM   845  C CB  . LEU A 1 149 ? -14.21019 -12.04979 -26.92301 1.000 48.70009  ? 744 LEU A CB  1 
ATOM   846  C CG  . LEU A 1 149 ? -12.73181 -11.70455 -26.77284 1.000 49.96199  ? 744 LEU A CG  1 
ATOM   847  C CD1 . LEU A 1 149 ? -12.10869 -12.64345 -25.76989 1.000 50.58005  ? 744 LEU A CD1 1 
ATOM   848  C CD2 . LEU A 1 149 ? -12.06889 -11.84359 -28.12315 1.000 48.16730  ? 744 LEU A CD2 1 
ATOM   849  N N   . LYS A 1 150 ? -17.32654 -11.78766 -27.12955 1.000 47.02293  ? 745 LYS A N   1 
ATOM   850  C CA  . LYS A 1 150 ? -18.64727 -12.27893 -27.52133 1.000 44.60202  ? 745 LYS A CA  1 
ATOM   851  C C   . LYS A 1 150 ? -19.33055 -11.31656 -28.49210 1.000 45.43333  ? 745 LYS A C   1 
ATOM   852  O O   . LYS A 1 150 ? -19.88946 -11.74458 -29.51346 1.000 47.64768  ? 745 LYS A O   1 
ATOM   853  C CB  . LYS A 1 150 ? -19.49766 -12.50327 -26.27112 1.000 45.49871  ? 745 LYS A CB  1 
ATOM   854  C CG  . LYS A 1 150 ? -19.01656 -13.66174 -25.38024 1.000 49.19712  ? 745 LYS A CG  1 
ATOM   855  C CD  . LYS A 1 150 ? -19.81134 -13.76118 -24.07686 1.000 56.02892  ? 745 LYS A CD  1 
ATOM   856  C CE  . LYS A 1 150 ? -19.17494 -14.74878 -23.10454 1.000 54.18443  ? 745 LYS A CE  1 
ATOM   857  N NZ  . LYS A 1 150 ? -19.75613 -14.69760 -21.74252 1.000 62.97332  ? 745 LYS A NZ  1 
ATOM   858  N N   . ARG A 1 151 ? -19.27235 -10.01116 -28.20244 1.000 46.88988  ? 746 ARG A N   1 
ATOM   859  C CA  . ARG A 1 151 ? -19.78470 -9.00073  -29.12605 1.000 46.67113  ? 746 ARG A CA  1 
ATOM   860  C C   . ARG A 1 151 ? -19.20954 -9.15893  -30.52909 1.000 49.03165  ? 746 ARG A C   1 
ATOM   861  O O   . ARG A 1 151 ? -19.89148 -8.88658  -31.52147 1.000 50.75179  ? 746 ARG A O   1 
ATOM   862  C CB  . ARG A 1 151 ? -19.45292 -7.61225  -28.59897 1.000 49.07664  ? 746 ARG A CB  1 
ATOM   863  C CG  . ARG A 1 151 ? -20.54380 -6.59409  -28.75087 1.000 53.87636  ? 746 ARG A CG  1 
ATOM   864  C CD  . ARG A 1 151 ? -20.17224 -5.35382  -27.94214 1.000 58.01813  ? 746 ARG A CD  1 
ATOM   865  N NE  . ARG A 1 151 ? -20.25852 -5.60345  -26.50599 1.000 62.14506  ? 746 ARG A NE  1 
ATOM   866  C CZ  . ARG A 1 151 ? -19.31771 -5.31842  -25.61455 1.000 63.70689  ? 746 ARG A CZ  1 
ATOM   867  N NH1 . ARG A 1 151 ? -18.14983 -4.80247  -25.97169 1.000 61.73889  ? 746 ARG A NH1 1 
ATOM   868  N NH2 . ARG A 1 151 ? -19.54779 -5.57758  -24.33128 1.000 65.56790  ? 746 ARG A NH2 1 
ATOM   869  N N   . ALA A 1 152 ? -17.94999 -9.54851  -30.63717 1.000 49.87595  ? 747 ALA A N   1 
ATOM   870  C CA  . ALA A 1 152 ? -17.27695 -9.54865  -31.92777 1.000 49.55175  ? 747 ALA A CA  1 
ATOM   871  C C   . ALA A 1 152 ? -17.42989 -10.86335 -32.67435 1.000 47.79224  ? 747 ALA A C   1 
ATOM   872  O O   . ALA A 1 152 ? -16.90147 -10.99273 -33.78953 1.000 52.14043  ? 747 ALA A O   1 
ATOM   873  C CB  . ALA A 1 152 ? -15.80191 -9.21792  -31.73812 1.000 46.27019  ? 747 ALA A CB  1 
ATOM   874  N N   . GLY A 1 153 ? -18.14626 -11.82699 -32.10247 1.000 44.22719  ? 748 GLY A N   1 
ATOM   875  C CA  . GLY A 1 153 ? -18.22873 -13.16046 -32.65901 1.000 40.66100  ? 748 GLY A CA  1 
ATOM   876  C C   . GLY A 1 153 ? -16.96705 -13.98655 -32.49925 1.000 44.02607  ? 748 GLY A C   1 
ATOM   877  O O   . GLY A 1 153 ? -16.78918 -14.96558 -33.22733 1.000 42.81421  ? 748 GLY A O   1 
ATOM   878  N N   . LYS A 1 154 ? -16.09667 -13.64609 -31.55491 1.000 43.89934  ? 749 LYS A N   1 
ATOM   879  C CA  . LYS A 1 154 ? -14.80421 -14.31163 -31.43754 1.000 45.59550  ? 749 LYS A CA  1 
ATOM   880  C C   . LYS A 1 154 ? -14.65671 -15.13764 -30.16227 1.000 47.59957  ? 749 LYS A C   1 
ATOM   881  O O   . LYS A 1 154 ? -13.54825 -15.58232 -29.85868 1.000 45.30566  ? 749 LYS A O   1 
ATOM   882  C CB  . LYS A 1 154 ? -13.66763 -13.29035 -31.51509 1.000 44.50504  ? 749 LYS A CB  1 
ATOM   883  C CG  . LYS A 1 154 ? -13.61645 -12.54064 -32.82969 1.000 48.20604  ? 749 LYS A CG  1 
ATOM   884  C CD  . LYS A 1 154 ? -12.73712 -11.31002 -32.68808 1.000 51.37363  ? 749 LYS A CD  1 
ATOM   885  C CE  . LYS A 1 154 ? -11.85716 -11.10371 -33.92258 1.000 57.03625  ? 749 LYS A CE  1 
ATOM   886  N NZ  . LYS A 1 154 ? -12.67774 -11.11009 -35.16600 1.000 54.16899  ? 749 LYS A NZ  1 
ATOM   887  N N   . PHE A 1 155 ? -15.72844 -15.34596 -29.40510 1.000 45.98376  ? 750 PHE A N   1 
ATOM   888  C CA  . PHE A 1 155 ? -15.66213 -16.11398 -28.16322 1.000 47.62498  ? 750 PHE A CA  1 
ATOM   889  C C   . PHE A 1 155 ? -16.18726 -17.51938 -28.41836 1.000 49.23019  ? 750 PHE A C   1 
ATOM   890  O O   . PHE A 1 155 ? -17.30643 -17.67502 -28.90228 1.000 44.84733  ? 750 PHE A O   1 
ATOM   891  C CB  . PHE A 1 155 ? -16.49048 -15.43501 -27.07024 1.000 47.57677  ? 750 PHE A CB  1 
ATOM   892  C CG  . PHE A 1 155 ? -16.43264 -16.12947 -25.73257 1.000 49.55615  ? 750 PHE A CG  1 
ATOM   893  C CD1 . PHE A 1 155 ? -15.61815 -15.64960 -24.72465 1.000 58.00020  ? 750 PHE A CD1 1 
ATOM   894  C CD2 . PHE A 1 155 ? -17.21501 -17.24452 -25.47358 1.000 51.74324  ? 750 PHE A CD2 1 
ATOM   895  C CE1 . PHE A 1 155 ? -15.56603 -16.28885 -23.48093 1.000 61.30105  ? 750 PHE A CE1 1 
ATOM   896  C CE2 . PHE A 1 155 ? -17.16866 -17.87641 -24.23961 1.000 53.91046  ? 750 PHE A CE2 1 
ATOM   897  C CZ  . PHE A 1 155 ? -16.34652 -17.40410 -23.24868 1.000 57.82101  ? 750 PHE A CZ  1 
ATOM   898  N N   . LYS A 1 156 ? -15.39716 -18.54140 -28.08600 1.000 43.19569  ? 751 LYS A N   1 
ATOM   899  C CA  . LYS A 1 156 ? -15.86521 -19.92367 -28.15817 1.000 45.50196  ? 751 LYS A CA  1 
ATOM   900  C C   . LYS A 1 156 ? -15.77783 -20.57522 -26.78193 1.000 50.19642  ? 751 LYS A C   1 
ATOM   901  O O   . LYS A 1 156 ? -14.69240 -20.66862 -26.19714 1.000 48.97426  ? 751 LYS A O   1 
ATOM   902  C CB  . LYS A 1 156 ? -15.07288 -20.71867 -29.19186 1.000 42.82223  ? 751 LYS A CB  1 
ATOM   903  C CG  . LYS A 1 156 ? -15.15342 -20.15870 -30.62479 1.000 44.99496  ? 751 LYS A CG  1 
ATOM   904  C CD  . LYS A 1 156 ? -16.58748 -20.21839 -31.20395 1.000 47.68754  ? 751 LYS A CD  1 
ATOM   905  C CE  . LYS A 1 156 ? -16.90743 -21.58661 -31.76933 1.000 46.68807  ? 751 LYS A CE  1 
ATOM   906  N NZ  . LYS A 1 156 ? -18.28169 -21.58774 -32.42076 1.000 44.72853  ? 751 LYS A NZ  1 
ATOM   907  N N   . ALA A 1 157 ? -16.91343 -21.03937 -26.26853 1.000 46.01033  ? 752 ALA A N   1 
ATOM   908  C CA  . ALA A 1 157 ? -16.94816 -21.61421 -24.93446 1.000 52.97473  ? 752 ALA A CA  1 
ATOM   909  C C   . ALA A 1 157 ? -16.37501 -23.02690 -24.93026 1.000 52.81336  ? 752 ALA A C   1 
ATOM   910  O O   . ALA A 1 157 ? -16.61684 -23.81554 -25.84879 1.000 53.51990  ? 752 ALA A O   1 
ATOM   911  C CB  . ALA A 1 157 ? -18.38226 -21.63724 -24.39628 1.000 51.77263  ? 752 ALA A CB  1 
ATOM   912  N N   . THR A 1 158 ? -15.61122 -23.33555 -23.88322 1.000 54.45018  ? 753 THR A N   1 
ATOM   913  C CA  . THR A 1 158 ? -15.16708 -24.68654 -23.55473 1.000 59.78196  ? 753 THR A CA  1 
ATOM   914  C C   . THR A 1 158 ? -15.54499 -24.99145 -22.10497 1.000 63.59142  ? 753 THR A C   1 
ATOM   915  O O   . THR A 1 158 ? -15.82770 -24.08082 -21.32210 1.000 64.88284  ? 753 THR A O   1 
ATOM   916  C CB  . THR A 1 158 ? -13.65520 -24.83611 -23.73491 1.000 55.96322  ? 753 THR A CB  1 
ATOM   917  O OG1 . THR A 1 158 ? -13.00093 -23.97605 -22.79679 1.000 55.55171  ? 753 THR A OG1 1 
ATOM   918  C CG2 . THR A 1 158 ? -13.24028 -24.44861 -25.15380 1.000 49.67695  ? 753 THR A CG2 1 
ATOM   919  N N   . GLN A 1 159 ? -15.53425 -26.27629 -21.73768 1.000 65.80005  ? 754 GLN A N   1 
ATOM   920  C CA  . GLN A 1 159 ? -15.94418 -26.70461 -20.39967 1.000 67.35319  ? 754 GLN A CA  1 
ATOM   921  C C   . GLN A 1 159 ? -14.80043 -27.34940 -19.62548 1.000 67.96197  ? 754 GLN A C   1 
ATOM   922  O O   . GLN A 1 159 ? -13.78104 -27.77091 -20.18384 1.000 67.48501  ? 754 GLN A O   1 
ATOM   923  C CB  . GLN A 1 159 ? -17.12107 -27.68399 -20.45889 1.000 69.47476  ? 754 GLN A CB  1 
ATOM   924  C CG  . GLN A 1 159 ? -18.42674 -27.06846 -20.89959 1.000 70.02561  ? 754 GLN A CG  1 
ATOM   925  C CD  . GLN A 1 159 ? -18.48190 -26.84570 -22.38981 1.000 68.76974  ? 754 GLN A CD  1 
ATOM   926  O OE1 . GLN A 1 159 ? -18.47382 -27.79624 -23.17200 1.000 71.02610  ? 754 GLN A OE1 1 
ATOM   927  N NE2 . GLN A 1 159 ? -18.55059 -25.58057 -22.79490 1.000 65.72874  ? 754 GLN A NE2 1 
ATOM   928  N N   . ARG A 1 160 ? -15.01236 -27.42749 -18.31472 1.000 69.42487  ? 755 ARG A N   1 
ATOM   929  C CA  . ARG A 1 160 ? -14.12414 -28.08761 -17.37307 1.000 68.42828  ? 755 ARG A CA  1 
ATOM   930  C C   . ARG A 1 160 ? -14.59502 -29.51524 -17.11238 1.000 72.16258  ? 755 ARG A C   1 
ATOM   931  O O   . ARG A 1 160 ? -15.72717 -29.89934 -17.43022 1.000 71.76838  ? 755 ARG A O   1 
ATOM   932  C CB  . ARG A 1 160 ? -14.08024 -27.30317 -16.05803 1.000 72.17753  ? 755 ARG A CB  1 
ATOM   933  C CG  . ARG A 1 160 ? -13.39257 -25.96103 -16.14252 1.000 71.20635  ? 755 ARG A CG  1 
ATOM   934  C CD  . ARG A 1 160 ? -13.31414 -25.33577 -14.76813 1.000 74.33209  ? 755 ARG A CD  1 
ATOM   935  N NE  . ARG A 1 160 ? -12.69011 -24.01904 -14.81414 1.000 77.33446  ? 755 ARG A NE  1 
ATOM   936  C CZ  . ARG A 1 160 ? -11.83023 -23.56287 -13.91188 1.000 80.55157  ? 755 ARG A CZ  1 
ATOM   937  N NH1 . ARG A 1 160 ? -11.49825 -24.27878 -12.84702 1.000 78.76597  ? 755 ARG A NH1 1 
ATOM   938  N NH2 . ARG A 1 160 ? -11.30907 -22.34746 -14.06872 1.000 81.10190  ? 755 ARG A NH2 1 
ATOM   939  N N   . THR A 1 161 ? -13.71144 -30.29363 -16.48391 1.000 71.38743  ? 756 THR A N   1 
ATOM   940  C CA  . THR A 1 161 ? -14.00118 -31.66800 -16.08495 1.000 71.05273  ? 756 THR A CA  1 
ATOM   941  C C   . THR A 1 161 ? -13.56622 -31.79672 -14.63027 1.000 73.10796  ? 756 THR A C   1 
ATOM   942  O O   . THR A 1 161 ? -12.37577 -31.65847 -14.32461 1.000 72.39516  ? 756 THR A O   1 
ATOM   943  C CB  . THR A 1 161 ? -13.24847 -32.66798 -16.96470 1.000 69.37416  ? 756 THR A CB  1 
ATOM   944  O OG1 . THR A 1 161 ? -13.73910 -32.59363 -18.31122 1.000 65.66147  ? 756 THR A OG1 1 
ATOM   945  C CG2 . THR A 1 161 ? -13.45947 -34.08719 -16.43637 1.000 67.51440  ? 756 THR A CG2 1 
ATOM   946  N N   . GLU A 1 162 ? -14.51122 -32.05288 -13.73021 1.000 74.00060  ? 757 GLU A N   1 
ATOM   947  C CA  . GLU A 1 162 ? -14.15225 -32.07035 -12.31923 1.000 73.98633  ? 757 GLU A CA  1 
ATOM   948  C C   . GLU A 1 162 ? -13.64341 -33.45448 -11.91107 1.000 74.05624  ? 757 GLU A C   1 
ATOM   949  O O   . GLU A 1 162 ? -13.81599 -34.44559 -12.62387 1.000 73.83105  ? 757 GLU A O   1 
ATOM   950  C CB  . GLU A 1 162 ? -15.34272 -31.64726 -11.45967 1.000 79.73559  ? 757 GLU A CB  1 
ATOM   951  N N   . GLY A 1 163 ? -12.98872 -33.51020 -10.75018 1.000 76.84224  ? 758 GLY A N   1 
ATOM   952  C CA  . GLY A 1 163 ? -12.56591 -34.76981 -10.16219 1.000 77.31686  ? 758 GLY A CA  1 
ATOM   953  C C   . GLY A 1 163 ? -11.32718 -35.38708 -10.76795 1.000 77.31335  ? 758 GLY A C   1 
ATOM   954  O O   . GLY A 1 163 ? -10.99917 -36.53357 -10.43546 1.000 77.46924  ? 758 GLY A O   1 
ATOM   955  N N   . VAL A 1 164 ? -10.61802 -34.65627 -11.62321 1.000 74.62763  ? 759 VAL A N   1 
ATOM   956  C CA  . VAL A 1 164 ? -9.46925  -35.16992 -12.36140 1.000 78.21899  ? 759 VAL A CA  1 
ATOM   957  C C   . VAL A 1 164 ? -8.17216  -34.49224 -11.96794 1.000 76.92456  ? 759 VAL A C   1 
ATOM   958  O O   . VAL A 1 164 ? -7.11564  -34.84373 -12.51140 1.000 73.95025  ? 759 VAL A O   1 
ATOM   959  C CB  . VAL A 1 164 ? -9.68101  -35.04328 -13.88318 1.000 67.64707  ? 759 VAL A CB  1 
ATOM   960  C CG1 . VAL A 1 164 ? -10.71894 -36.04462 -14.35791 1.000 71.87083  ? 759 VAL A CG1 1 
ATOM   961  C CG2 . VAL A 1 164 ? -10.08548 -33.60864 -14.25855 1.000 63.93671  ? 759 VAL A CG2 1 
ATOM   962  N N   . SER A 1 165 ? -8.20798  -33.53526 -11.04886 1.000 79.68359  ? 760 SER A N   1 
ATOM   963  C CA  . SER A 1 165 ? -7.02598  -32.74125 -10.76663 1.000 78.93251  ? 760 SER A CA  1 
ATOM   964  C C   . SER A 1 165 ? -6.01727  -33.53862 -9.94672  1.000 83.90396  ? 760 SER A C   1 
ATOM   965  O O   . SER A 1 165 ? -6.37338  -34.40790 -9.13862  1.000 84.83712  ? 760 SER A O   1 
ATOM   966  C CB  . SER A 1 165 ? -7.39860  -31.46236 -10.01770 1.000 81.03804  ? 760 SER A CB  1 
ATOM   967  O OG  . SER A 1 165 ? -7.14714  -31.60691 -8.63661  1.000 87.65490  ? 760 SER A OG  1 
ATOM   968  N N   . THR A 1 166 ? -4.73958  -33.22345 -10.17251 1.000 86.10917  ? 761 THR A N   1 
ATOM   969  C CA  . THR A 1 166 ? -3.65048  -33.76852 -9.37106  1.000 84.50160  ? 761 THR A CA  1 
ATOM   970  C C   . THR A 1 166 ? -3.98408  -33.74653 -7.88260  1.000 84.20209  ? 761 THR A C   1 
ATOM   971  O O   . THR A 1 166 ? -3.78764  -34.73918 -7.17430  1.000 84.19412  ? 761 THR A O   1 
ATOM   972  C CB  . THR A 1 166 ? -2.37317  -32.97516 -9.66097  1.000 85.36579  ? 761 THR A CB  1 
ATOM   973  O OG1 . THR A 1 166 ? -2.12424  -32.98337 -11.07443 1.000 79.63931  ? 761 THR A OG1 1 
ATOM   974  C CG2 . THR A 1 166 ? -1.18798  -33.58265 -8.93579  1.000 85.68994  ? 761 THR A CG2 1 
ATOM   975  N N   . THR A 1 167 ? -4.50826  -32.61773 -7.39719  1.000 85.72269  ? 762 THR A N   1 
ATOM   976  C CA  . THR A 1 167 ? -4.98074  -32.51853 -6.01748  1.000 84.75060  ? 762 THR A CA  1 
ATOM   977  C C   . THR A 1 167 ? -5.86220  -33.69505 -5.61484  1.000 83.42377  ? 762 THR A C   1 
ATOM   978  O O   . THR A 1 167 ? -5.69219  -34.28452 -4.54252  1.000 82.52225  ? 762 THR A O   1 
ATOM   979  C CB  . THR A 1 167 ? -5.76184  -31.21532 -5.83265  1.000 88.50939  ? 762 THR A CB  1 
ATOM   980  O OG1 . THR A 1 167 ? -4.93442  -30.09452 -6.17297  1.000 92.28069  ? 762 THR A OG1 1 
ATOM   981  C CG2 . THR A 1 167 ? -6.25779  -31.09070 -4.39312  1.000 90.30243  ? 762 THR A CG2 1 
ATOM   982  N N   . ASP A 1 168 ? -6.83486  -34.03000 -6.46018  1.000 83.83425  ? 763 ASP A N   1 
ATOM   983  C CA  . ASP A 1 168 ? -7.80782  -35.05350 -6.10121  1.000 81.68942  ? 763 ASP A CA  1 
ATOM   984  C C   . ASP A 1 168 ? -7.16076  -36.42555 -5.94541  1.000 81.33574  ? 763 ASP A C   1 
ATOM   985  O O   . ASP A 1 168 ? -7.66969  -37.26812 -5.19376  1.000 72.89705  ? 763 ASP A O   1 
ATOM   986  C CB  . ASP A 1 168 ? -8.91466  -35.08736 -7.15610  1.000 84.41304  ? 763 ASP A CB  1 
ATOM   987  C CG  . ASP A 1 168 ? -9.45516  -33.70179 -7.47583  1.000 83.55752  ? 763 ASP A CG  1 
ATOM   988  O OD1 . ASP A 1 168 ? -8.65283  -32.74799 -7.50809  1.000 87.16283  ? 763 ASP A OD1 1 
ATOM   989  O OD2 . ASP A 1 168 ? -10.67693 -33.56555 -7.69728  1.000 88.80573  ? 763 ASP A OD2 1 
ATOM   990  N N   . LEU A 1 169 ? -6.03919  -36.66417 -6.63337  1.000 80.33385  ? 764 LEU A N   1 
ATOM   991  C CA  . LEU A 1 169 ? -5.41700  -37.98300 -6.61659  1.000 75.84177  ? 764 LEU A CA  1 
ATOM   992  C C   . LEU A 1 169 ? -4.60621  -38.23426 -5.35037  1.000 78.00114  ? 764 LEU A C   1 
ATOM   993  O O   . LEU A 1 169 ? -4.50651  -39.38380 -4.90785  1.000 78.63420  ? 764 LEU A O   1 
ATOM   994  C CB  . LEU A 1 169 ? -4.52435  -38.16178 -7.84580  1.000 78.61708  ? 764 LEU A CB  1 
ATOM   995  C CG  . LEU A 1 169 ? -5.13890  -37.89442 -9.22285  1.000 78.26756  ? 764 LEU A CG  1 
ATOM   996  C CD1 . LEU A 1 169 ? -4.11026  -38.19575 -10.30181 1.000 74.08143  ? 764 LEU A CD1 1 
ATOM   997  C CD2 . LEU A 1 169 ? -6.41720  -38.69183 -9.45485  1.000 72.29659  ? 764 LEU A CD2 1 
ATOM   998  N N   . ILE A 1 170 ? -3.99902  -37.20207 -4.76375  1.000 75.82934  ? 765 ILE A N   1 
ATOM   999  C CA  . ILE A 1 170 ? -3.37641  -37.39643 -3.45768  1.000 81.10064  ? 765 ILE A CA  1 
ATOM   1000 C C   . ILE A 1 170 ? -4.44826  -37.71969 -2.42923  1.000 83.06710  ? 765 ILE A C   1 
ATOM   1001 O O   . ILE A 1 170 ? -4.25979  -38.56868 -1.54950  1.000 81.93019  ? 765 ILE A O   1 
ATOM   1002 C CB  . ILE A 1 170 ? -2.55187  -36.16012 -3.05376  1.000 75.22670  ? 765 ILE A CB  1 
ATOM   1003 N N   . VAL A 1 171 ? -5.60322  -37.06245 -2.54654  1.000 79.84041  ? 766 VAL A N   1 
ATOM   1004 C CA  . VAL A 1 171 ? -6.74244  -37.38476 -1.69550  1.000 80.97099  ? 766 VAL A CA  1 
ATOM   1005 C C   . VAL A 1 171 ? -7.11793  -38.84837 -1.85812  1.000 82.07179  ? 766 VAL A C   1 
ATOM   1006 O O   . VAL A 1 171 ? -7.45159  -39.53485 -0.88510  1.000 81.72467  ? 766 VAL A O   1 
ATOM   1007 C CB  . VAL A 1 171 ? -7.92668  -36.45849 -2.02706  1.000 81.10634  ? 766 VAL A CB  1 
ATOM   1008 C CG1 . VAL A 1 171 ? -9.16643  -36.87643 -1.25185  1.000 81.77521  ? 766 VAL A CG1 1 
ATOM   1009 C CG2 . VAL A 1 171 ? -7.55596  -35.00301 -1.76424  1.000 82.19680  ? 766 VAL A CG2 1 
ATOM   1010 N N   . ARG A 1 172 ? -7.07213  -39.35240 -3.09235  1.000 80.47844  ? 767 ARG A N   1 
ATOM   1011 C CA  . ARG A 1 172 ? -7.36633  -40.76258 -3.29692  1.000 82.48914  ? 767 ARG A CA  1 
ATOM   1012 C C   . ARG A 1 172 ? -6.29348  -41.64563 -2.67527  1.000 83.17348  ? 767 ARG A C   1 
ATOM   1013 O O   . ARG A 1 172 ? -6.59813  -42.71879 -2.14228  1.000 90.64322  ? 767 ARG A O   1 
ATOM   1014 C CB  . ARG A 1 172 ? -7.50829  -41.07342 -4.78173  1.000 76.71588  ? 767 ARG A CB  1 
ATOM   1015 C CG  . ARG A 1 172 ? -7.67601  -42.55441 -5.02506  1.000 76.04361  ? 767 ARG A CG  1 
ATOM   1016 C CD  . ARG A 1 172 ? -7.60102  -42.89375 -6.50120  1.000 74.06052  ? 767 ARG A CD  1 
ATOM   1017 N NE  . ARG A 1 172 ? -8.63233  -42.23096 -7.29000  1.000 74.09867  ? 767 ARG A NE  1 
ATOM   1018 C CZ  . ARG A 1 172 ? -8.75054  -42.36029 -8.60252  1.000 73.78253  ? 767 ARG A CZ  1 
ATOM   1019 N NH1 . ARG A 1 172 ? -7.89125  -43.08134 -9.30297  1.000 73.41667  ? 767 ARG A NH1 1 
ATOM   1020 N NH2 . ARG A 1 172 ? -9.75700  -41.75596 -9.22858  1.000 74.12694  ? 767 ARG A NH2 1 
ATOM   1021 N N   . ILE A 1 173 ? -5.03249  -41.22113 -2.74261  1.000 82.32747  ? 768 ILE A N   1 
ATOM   1022 C CA  . ILE A 1 173 ? -3.96428  -41.99606 -2.12026  1.000 84.00582  ? 768 ILE A CA  1 
ATOM   1023 C C   . ILE A 1 173 ? -4.12161  -41.99467 -0.60915  1.000 90.65952  ? 768 ILE A C   1 
ATOM   1024 O O   . ILE A 1 173 ? -3.91203  -43.01625 0.05582   1.000 95.20923  ? 768 ILE A O   1 
ATOM   1025 C CB  . ILE A 1 173 ? -2.58816  -41.44566 -2.53352  1.000 84.73434  ? 768 ILE A CB  1 
ATOM   1026 C CG1 . ILE A 1 173 ? -2.45269  -41.40053 -4.05866  1.000 82.15859  ? 768 ILE A CG1 1 
ATOM   1027 C CG2 . ILE A 1 173 ? -1.47435  -42.27258 -1.89921  1.000 90.45562  ? 768 ILE A CG2 1 
ATOM   1028 C CD1 . ILE A 1 173 ? -1.01129  -41.38637 -4.52909  1.000 82.85009  ? 768 ILE A CD1 1 
ATOM   1029 N N   . LEU A 1 174 ? -4.48273  -40.84601 -0.04138  1.000 88.17949  ? 769 LEU A N   1 
ATOM   1030 C CA  . LEU A 1 174 ? -4.48228  -40.72217 1.40939   1.000 91.53168  ? 769 LEU A CA  1 
ATOM   1031 C C   . LEU A 1 174 ? -5.65582  -41.46022 2.03975   1.000 97.82007  ? 769 LEU A C   1 
ATOM   1032 O O   . LEU A 1 174 ? -5.55277  -41.92109 3.18339   1.000 101.78522 ? 769 LEU A O   1 
ATOM   1033 C CB  . LEU A 1 174 ? -4.48899  -39.24630 1.79599   1.000 87.95195  ? 769 LEU A CB  1 
ATOM   1034 C CG  . LEU A 1 174 ? -3.14873  -38.54678 1.57808   1.000 86.52829  ? 769 LEU A CG  1 
ATOM   1035 C CD1 . LEU A 1 174 ? -3.15559  -37.15928 2.19596   1.000 85.78461  ? 769 LEU A CD1 1 
ATOM   1036 C CD2 . LEU A 1 174 ? -2.01024  -39.38297 2.14864   1.000 84.27094  ? 769 LEU A CD2 1 
ATOM   1037 N N   . LYS A 1 175 ? -6.76667  -41.59633 1.31383   1.000 99.53818  ? 770 LYS A N   1 
ATOM   1038 C CA  . LYS A 1 175 ? -7.93128  -42.30759 1.82699   1.000 103.65438 ? 770 LYS A CA  1 
ATOM   1039 C C   . LYS A 1 175 ? -7.69068  -43.81294 1.80627   1.000 108.38578 ? 770 LYS A C   1 
ATOM   1040 O O   . LYS A 1 175 ? -8.61803  -44.59679 1.57151   1.000 113.94436 ? 770 LYS A O   1 
ATOM   1041 C CB  . LYS A 1 175 ? -9.18355  -41.94934 1.02279   1.000 104.54133 ? 770 LYS A CB  1 
ATOM   1042 N N   . ASN A 1 176 ? -6.43680  -44.21877 2.03795   1.000 107.14765 ? 771 ASN A N   1 
ATOM   1043 C CA  . ASN A 1 176 ? -6.08175  -45.61591 2.25181   1.000 109.52113 ? 771 ASN A CA  1 
ATOM   1044 C C   . ASN A 1 176 ? -5.25701  -45.79852 3.52214   1.000 110.54076 ? 771 ASN A C   1 
ATOM   1045 O O   . ASN A 1 176 ? -4.69375  -46.87911 3.73440   1.000 111.01065 ? 771 ASN A O   1 
ATOM   1046 C CB  . ASN A 1 176 ? -5.32076  -46.17698 1.04342   1.000 106.61606 ? 771 ASN A CB  1 
ATOM   1047 N N   . TYR A 1 177 ? -5.17766  -44.78004 4.37236   1.000 110.93477 ? 772 TYR A N   1 
ATOM   1048 C CA  . TYR A 1 177 ? -4.34339  -44.84798 5.56765   1.000 112.82252 ? 772 TYR A CA  1 
ATOM   1049 C C   . TYR A 1 177 ? -5.12552  -44.41470 6.81049   1.000 114.09153 ? 772 TYR A C   1 
ATOM   1050 O O   . TYR A 1 177 ? -6.22973  -43.87264 6.71389   1.000 114.77736 ? 772 TYR A O   1 
ATOM   1051 C CB  . TYR A 1 177 ? -3.09743  -43.97300 5.39709   1.000 108.61632 ? 772 TYR A CB  1 
ATOM   1052 C CG  . TYR A 1 177 ? -2.12023  -44.49756 4.36588   1.000 108.50937 ? 772 TYR A CG  1 
ATOM   1053 C CD1 . TYR A 1 177 ? -1.18066  -45.46944 4.68922   1.000 106.97108 ? 772 TYR A CD1 1 
ATOM   1054 C CD2 . TYR A 1 177 ? -2.14152  -44.01644 3.06394   1.000 107.15842 ? 772 TYR A CD2 1 
ATOM   1055 C CE1 . TYR A 1 177 ? -0.28907  -45.94997 3.73553   1.000 106.13597 ? 772 TYR A CE1 1 
ATOM   1056 C CE2 . TYR A 1 177 ? -1.25793  -44.48603 2.11080   1.000 109.42115 ? 772 TYR A CE2 1 
ATOM   1057 C CZ  . TYR A 1 177 ? -0.33229  -45.45264 2.44781   1.000 109.50812 ? 772 TYR A CZ  1 
ATOM   1058 O OH  . TYR A 1 177 ? 0.54405   -45.91972 1.48411   1.000 113.92174 ? 772 TYR A OH  1 
HETATM 1059 C C02 . 9NN B 2 .   ? -8.08888  -24.79308 -14.72864 1.000 68.71819  ? 801 9NN A C02 1 
HETATM 1060 C C03 . 9NN B 2 .   ? -8.98374  -25.98150 -15.04287 1.000 69.38927  ? 801 9NN A C03 1 
HETATM 1061 C C04 . 9NN B 2 .   ? -9.15987  -26.41433 -16.36972 1.000 67.79645  ? 801 9NN A C04 1 
HETATM 1062 C C05 . 9NN B 2 .   ? -10.00220 -27.52064 -16.60741 1.000 65.49007  ? 801 9NN A C05 1 
HETATM 1063 C C07 . 9NN B 2 .   ? -10.46760 -27.77245 -14.34511 1.000 70.12282  ? 801 9NN A C07 1 
HETATM 1064 C C08 . 9NN B 2 .   ? -9.64412  -26.66238 -14.01553 1.000 70.19346  ? 801 9NN A C08 1 
HETATM 1065 N N01 . 9NN B 2 .   ? -7.43807  -24.90886 -13.40300 1.000 70.88945  ? 801 9NN A N01 1 
HETATM 1066 N N06 . 9NN B 2 .   ? -10.66324 -28.22120 -15.64278 1.000 65.37829  ? 801 9NN A N06 1 
HETATM 1067 N N09 . 9NN B 2 .   ? -11.14268 -28.48832 -13.36765 1.000 72.91309  ? 801 9NN A N09 1 
HETATM 1068 H H1  . 9NN B 2 .   ? -8.69104  -23.85783 -14.80573 1.000 82.48834  ? 801 9NN A H1  1 
HETATM 1069 H H2  . 9NN B 2 .   ? -7.33554  -24.68347 -15.54331 1.000 82.48834  ? 801 9NN A H2  1 
HETATM 1070 H H3  . 9NN B 2 .   ? -8.67301  -25.92811 -17.20345 1.000 81.38226  ? 801 9NN A H3  1 
HETATM 1071 H H4  . 9NN B 2 .   ? -10.18668 -27.90206 -17.61494 1.000 78.61460  ? 801 9NN A H4  1 
HETATM 1072 H H5  . 9NN B 2 .   ? -9.53136  -26.34945 -12.97752 1.000 84.25867  ? 801 9NN A H5  1 
HETATM 1073 H H6  . 9NN B 2 .   ? -7.32169  -25.85676 -13.10081 1.000 85.09385  ? 801 9NN A H6  1 
HETATM 1074 H H7  . 9NN B 2 .   ? -7.89633  -24.37928 -12.67569 1.000 85.09385  ? 801 9NN A H7  1 
HETATM 1075 H H9  . 9NN B 2 .   ? -11.12275 -28.17969 -12.41647 1.000 87.52222  ? 801 9NN A H9  1 
HETATM 1076 H H10 . 9NN B 2 .   ? -11.64650 -29.31686 -13.58876 1.000 87.52222  ? 801 9NN A H10 1 
HETATM 1077 C C02 . 9NN C 2 .   ? -5.89451  -15.14547 -18.92382 1.000 58.28735  ? 802 9NN A C02 1 
HETATM 1078 C C03 . 9NN C 2 .   ? -6.15874  -16.25392 -17.94319 1.000 58.77172  ? 802 9NN A C03 1 
HETATM 1079 C C04 . 9NN C 2 .   ? -5.57969  -16.23409 -16.67281 1.000 61.98013  ? 802 9NN A C04 1 
HETATM 1080 C C05 . 9NN C 2 .   ? -5.85580  -17.29397 -15.80013 1.000 62.28296  ? 802 9NN A C05 1 
HETATM 1081 C C07 . 9NN C 2 .   ? -7.20555  -18.34558 -17.34923 1.000 61.66575  ? 802 9NN A C07 1 
HETATM 1082 C C08 . 9NN C 2 .   ? -6.97959  -17.32179 -18.29434 1.000 60.87772  ? 802 9NN A C08 1 
HETATM 1083 N N01 . 9NN C 2 .   ? -4.46111  -14.95292 -19.15163 1.000 61.33076  ? 802 9NN A N01 1 
HETATM 1084 N N06 . 9NN C 2 .   ? -6.65030  -18.34877 -16.08719 1.000 63.40381  ? 802 9NN A N06 1 
HETATM 1085 N N09 . 9NN C 2 .   ? -8.01825  -19.42918 -17.65181 1.000 62.69099  ? 802 9NN A N09 1 
HETATM 1086 H H1  . 9NN C 2 .   ? -6.38055  -14.21110 -18.55785 1.000 69.97133  ? 802 9NN A H1  1 
HETATM 1087 H H2  . 9NN C 2 .   ? -6.43508  -15.36290 -19.87447 1.000 69.97133  ? 802 9NN A H2  1 
HETATM 1088 H H3  . 9NN C 2 .   ? -4.93145  -15.43248 -16.34762 1.000 74.40267  ? 802 9NN A H3  1 
HETATM 1089 H H4  . 9NN C 2 .   ? -5.43222  -17.34012 -14.79360 1.000 74.76607  ? 802 9NN A H4  1 
HETATM 1090 H H5  . 9NN C 2 .   ? -7.44128  -17.36988 -19.28056 1.000 73.07978  ? 802 9NN A H5  1 
HETATM 1091 H H6  . 9NN C 2 .   ? -4.27593  -14.25616 -19.87662 1.000 73.62343  ? 802 9NN A H6  1 
HETATM 1092 H H7  . 9NN C 2 .   ? -3.98780  -15.81422 -19.41705 1.000 73.62343  ? 802 9NN A H7  1 
HETATM 1093 H H9  . 9NN C 2 .   ? -8.71486  -19.34483 -18.36437 1.000 75.25570  ? 802 9NN A H9  1 
HETATM 1094 H H10 . 9NN C 2 .   ? -7.93675  -20.29075 -17.16261 1.000 75.25570  ? 802 9NN A H10 1 
HETATM 1095 O O   . HOH D 3 .   ? -6.41846  -26.53017 -12.07379 1.000 60.49646  ? 901 HOH A O   1 
HETATM 1096 O O   . HOH D 3 .   ? 0.46428   -9.08913  -19.14325 1.000 55.45837  ? 902 HOH A O   1 
HETATM 1097 O O   . HOH D 3 .   ? 5.25065   -14.14340 -29.07110 1.000 48.27159  ? 903 HOH A O   1 
HETATM 1098 O O   . HOH D 3 .   ? -1.30589  -16.89319 -36.38156 1.000 53.02516  ? 904 HOH A O   1 
HETATM 1099 O O   . HOH D 3 .   ? -7.16096  -24.32065 -22.19491 1.000 52.09761  ? 905 HOH A O   1 
HETATM 1100 O O   . HOH D 3 .   ? 11.85625  -24.03704 -13.75285 1.000 53.35637  ? 906 HOH A O   1 
HETATM 1101 O O   . HOH D 3 .   ? -3.51784  -14.30462 -22.95939 1.000 52.04628  ? 907 HOH A O   1 
HETATM 1102 O O   . HOH D 3 .   ? 2.24263   -29.27675 -15.74035 1.000 47.41275  ? 908 HOH A O   1 
HETATM 1103 O O   . HOH D 3 .   ? 0.83383   -13.61187 -17.97669 1.000 50.88029  ? 909 HOH A O   1 
HETATM 1104 O O   . HOH D 3 .   ? -11.37362 -19.92708 -16.09715 1.000 74.65118  ? 910 HOH A O   1 
HETATM 1105 O O   . HOH D 3 .   ? -13.12798 -14.36550 -35.94370 1.000 48.43103  ? 911 HOH A O   1 
HETATM 1106 O O   . HOH D 3 .   ? -11.98960 -30.17225 -19.20394 1.000 54.73959  ? 912 HOH A O   1 
HETATM 1107 O O   . HOH D 3 .   ? 1.55269   -27.49425 -17.88641 1.000 41.49380  ? 913 HOH A O   1 
HETATM 1108 O O   . HOH D 3 .   ? -6.25334  -16.29444 -38.79318 1.000 51.68673  ? 914 HOH A O   1 
HETATM 1109 O O   . HOH D 3 .   ? -11.95887 -25.06095 -40.54383 1.000 48.20506  ? 915 HOH A O   1 
HETATM 1110 O O   . HOH D 3 .   ? -11.691   -36.859   -24.886   1.000 54.22618  ? 916 HOH A O   1 
HETATM 1111 O O   . HOH D 3 .   ? -19.33216 -18.24843 -30.53473 1.000 45.28828  ? 917 HOH A O   1 
HETATM 1112 O O   . HOH D 3 .   ? 8.63904   -19.93570 -21.48154 1.000 48.72101  ? 918 HOH A O   1 
HETATM 1113 O O   . HOH D 3 .   ? -8.60602  -18.64767 -23.06618 1.000 52.14924  ? 919 HOH A O   1 
HETATM 1114 O O   . HOH D 3 .   ? -15.37613 -11.96409 -35.78010 1.000 48.43610  ? 920 HOH A O   1 
HETATM 1115 O O   . HOH D 3 .   ? 10.40945  -32.14883 -22.68836 1.000 45.53968  ? 921 HOH A O   1 
HETATM 1116 O O   . HOH D 3 .   ? -14.97131 -28.72397 -29.75287 1.000 44.61631  ? 922 HOH A O   1 
HETATM 1117 O O   . HOH D 3 .   ? -3.22264  -9.36959  -24.94768 1.000 49.79446  ? 923 HOH A O   1 
HETATM 1118 O O   . HOH D 3 .   ? -8.61127  -20.58971 -22.22781 1.000 50.72618  ? 924 HOH A O   1 
HETATM 1119 O O   . HOH D 3 .   ? -18.84229 -19.88437 -34.49643 1.000 41.41680  ? 925 HOH A O   1 
HETATM 1120 O O   . HOH D 3 .   ? -10.44717 -22.97997 -22.97886 1.000 53.56149  ? 926 HOH A O   1 
HETATM 1121 O O   . HOH D 3 .   ? 6.564     -19.909   -29.669   1.000 45.23604  ? 927 HOH A O   1 
HETATM 1122 O O   . HOH D 3 .   ? -5.72417  -36.13306 -14.50710 1.000 53.10625  ? 928 HOH A O   1 
HETATM 1123 O O   . HOH D 3 .   ? -12.45396 -32.82836 -25.04942 1.000 44.70681  ? 929 HOH A O   1 
HETATM 1124 O O   . HOH D 3 .   ? -8.88319  -37.53716 -31.73509 1.000 58.48381  ? 930 HOH A O   1 
HETATM 1125 O O   . HOH D 3 .   ? 7.16591   -16.05636 -15.53570 1.000 51.29848  ? 931 HOH A O   1 
HETATM 1126 O O   . HOH D 3 .   ? -0.09635  -7.11606  -15.62483 1.000 61.81078  ? 932 HOH A O   1 
HETATM 1127 O O   . HOH D 3 .   ? -15.93341 -14.38428 -35.87205 1.000 46.83080  ? 933 HOH A O   1 
HETATM 1128 O O   . HOH D 3 .   ? -15.34500 -26.36350 -39.33427 1.000 47.46047  ? 934 HOH A O   1 
HETATM 1129 O O   . HOH D 3 .   ? -2.72779  -30.65433 -33.08223 1.000 47.93762  ? 935 HOH A O   1 
HETATM 1130 O O   . HOH D 3 .   ? -1.83204  -21.10476 -38.47892 1.000 55.34188  ? 936 HOH A O   1 
HETATM 1131 O O   . HOH D 3 .   ? -4.52774  -30.26292 -37.15193 1.000 52.10649  ? 937 HOH A O   1 
HETATM 1132 O O   . HOH D 3 .   ? -3.77150  -24.64952 -13.72033 1.000 51.50749  ? 938 HOH A O   1 
HETATM 1133 O O   . HOH D 3 .   ? 9.60833   -24.78883 -21.28519 1.000 46.36709  ? 939 HOH A O   1 
HETATM 1134 O O   . HOH D 3 .   ? 3.928     -25.555   -34.843   1.000 51.34803  ? 940 HOH A O   1 
HETATM 1135 O O   . HOH D 3 .   ? -0.09837  -33.41867 -32.64419 1.000 56.10664  ? 941 HOH A O   1 
HETATM 1136 O O   . HOH D 3 .   ? -16.22041 -5.84193  -29.33426 1.000 59.45436  ? 942 HOH A O   1 
HETATM 1137 O O   . HOH D 3 .   ? 6.574     -17.478   -26.594   1.000 42.33059  ? 943 HOH A O   1 
HETATM 1138 O O   . HOH D 3 .   ? -15.52531 -7.05861  -22.15707 1.000 64.10530  ? 944 HOH A O   1 
HETATM 1139 O O   . HOH D 3 .   ? -9.54015  -29.62177 -35.66375 1.000 42.46397  ? 945 HOH A O   1 
HETATM 1140 O O   . HOH D 3 .   ? -4.17354  -19.80922 -40.29277 1.000 55.62997  ? 946 HOH A O   1 
HETATM 1141 O O   . HOH D 3 .   ? -7.22577  -29.15721 -37.16008 1.000 42.95715  ? 947 HOH A O   1 
HETATM 1142 O O   . HOH D 3 .   ? -5.19087  -23.07581 -16.39387 1.000 50.55963  ? 948 HOH A O   1 
HETATM 1143 O O   . HOH D 3 .   ? -9.69850  -22.17075 -48.02921 1.000 75.29683  ? 949 HOH A O   1 
HETATM 1144 O O   . HOH D 3 .   ? -14.65703 -16.68606 -39.50332 1.000 54.39256  ? 950 HOH A O   1 
HETATM 1145 O O   . HOH D 3 .   ? -8.88285  -24.46623 -24.07484 1.000 54.29582  ? 951 HOH A O   1 
HETATM 1146 O O   . HOH D 3 .   ? -10.40585 -18.39509 -41.01025 1.000 58.96108  ? 952 HOH A O   1 
HETATM 1147 O O   . HOH D 3 .   ? -13.62845 -33.66721 -28.33852 1.000 56.03207  ? 953 HOH A O   1 
HETATM 1148 O O   . HOH D 3 .   ? -16.60194 -27.53099 -41.82213 1.000 62.64576  ? 954 HOH A O   1 
HETATM 1149 O O   . HOH D 3 .   ? -0.97887  -8.07918  -25.21614 1.000 53.89755  ? 955 HOH A O   1 
HETATM 1150 O O   . HOH D 3 .   ? -8.97713  -31.81325 -35.20556 1.000 55.31005  ? 956 HOH A O   1 
HETATM 1151 O O   . HOH D 3 .   ? 12.58907  -26.17622 -15.64795 1.000 55.69970  ? 957 HOH A O   1 
HETATM 1152 O O   . HOH D 3 .   ? -14.90540 -31.36814 -29.40551 1.000 56.91856  ? 958 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  ? 0.87231 0.93788 0.60209 0.02637  -0.06164 0.12186  616 LYS A N   
2    C CA  . LYS A 39  ? 0.82981 0.87847 0.58678 0.03244  -0.06680 0.08632  616 LYS A CA  
3    C C   . LYS A 39  ? 0.75115 0.78587 0.54870 0.03366  -0.04532 0.07399  616 LYS A C   
4    O O   . LYS A 39  ? 0.77439 0.79384 0.60834 0.03555  -0.05023 0.05753  616 LYS A O   
5    C CB  . LYS A 39  ? 0.87075 0.92926 0.58394 0.03766  -0.07080 0.05310  616 LYS A CB  
6    C CG  . LYS A 39  ? 0.92555 0.96760 0.66350 0.03855  -0.09282 0.02781  616 LYS A CG  
7    C CD  . LYS A 39  ? 0.92638 0.96852 0.62762 0.04334  -0.09822 -0.01019 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.01161 1.07767 0.64438 0.04585  -0.10681 -0.00974 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.01774 1.08207 0.61155 0.05399  -0.11157 -0.05419 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.73096 0.77486 0.52379 0.03152  -0.02228 0.08331  617 ASN A N   
11   C CA  . ASN A 40  ? 0.71026 0.74258 0.53967 0.03247  -0.00556 0.07153  617 ASN A CA  
12   C C   . ASN A 40  ? 0.69562 0.70900 0.57084 0.02834  -0.01117 0.08881  617 ASN A C   
13   O O   . ASN A 40  ? 0.71638 0.72850 0.59549 0.02246  -0.01651 0.11800  617 ASN A O   
14   C CB  . ASN A 40  ? 0.69273 0.74546 0.50793 0.03217  0.01927  0.07336  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.69678 0.73906 0.54623 0.03469  0.03259  0.05693  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.75176 0.78733 0.60169 0.04217  0.03372  0.02947  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.64808 0.68626 0.52758 0.02758  0.03907  0.07454  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.60120 0.60000 0.51067 0.03157  -0.01085 0.07061  618 VAL A N   
19   C CA  . VAL A 41  ? 0.57474 0.55773 0.52637 0.03192  -0.01628 0.07672  618 VAL A CA  
20   C C   . VAL A 41  ? 0.50144 0.47941 0.47162 0.03016  0.00048  0.06890  618 VAL A C   
21   O O   . VAL A 41  ? 0.51732 0.49926 0.48455 0.03180  0.01061  0.05031  618 VAL A O   
22   C CB  . VAL A 41  ? 0.55274 0.53330 0.52785 0.03731  -0.02895 0.06212  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.52806 0.49859 0.54520 0.04171  -0.03084 0.06226  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.60923 0.59684 0.56939 0.03839  -0.04980 0.07032  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.51959 0.48674 0.51052 0.02634  0.00010  0.08350  619 VAL A N   
26   C CA  . VAL A 42  ? 0.48877 0.45142 0.49777 0.02341  0.01168  0.07621  619 VAL A CA  
27   C C   . VAL A 42  ? 0.49907 0.44989 0.53657 0.02998  0.00714  0.05850  619 VAL A C   
28   O O   . VAL A 42  ? 0.49514 0.43275 0.55428 0.03460  -0.00540 0.06183  619 VAL A O   
29   C CB  . VAL A 42  ? 0.52316 0.48041 0.54200 0.01337  0.01149  0.09970  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.51575 0.47048 0.55394 0.00938  0.02012  0.08999  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.54455 0.52497 0.53302 0.00617  0.01938  0.12098  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.47363 0.43150 0.51133 0.03146  0.01710  0.04019  620 ILE A N   
33   C CA  . ILE A 43  ? 0.46175 0.41875 0.51965 0.03655  0.01751  0.02343  620 ILE A CA  
34   C C   . ILE A 43  ? 0.47237 0.42480 0.53714 0.03296  0.02369  0.01800  620 ILE A C   
35   O O   . ILE A 43  ? 0.48597 0.44406 0.54004 0.02716  0.03139  0.02170  620 ILE A O   
36   C CB  . ILE A 43  ? 0.45726 0.42819 0.50941 0.03744  0.02190  0.01202  620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.47490 0.45061 0.51962 0.03857  0.01238  0.01585  620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.44164 0.42189 0.51291 0.04124  0.02516  -0.00114 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.45823 0.43519 0.52421 0.04506  0.00010  0.01908  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.47629 0.42054 0.56010 0.03781  0.01914  0.00695  621 TYR A N   
41   C CA  . TYR A 44  ? 0.48095 0.42092 0.56973 0.03475  0.02108  -0.00303 621 TYR A CA  
42   C C   . TYR A 44  ? 0.48835 0.44259 0.57698 0.04130  0.02659  -0.02358 621 TYR A C   
43   O O   . TYR A 44  ? 0.48775 0.44654 0.58870 0.05159  0.02471  -0.03481 621 TYR A O   
44   C CB  . TYR A 44  ? 0.42997 0.34532 0.53903 0.03416  0.00821  -0.00150 621 TYR A CB  
45   C CG  . TYR A 44  ? 0.49899 0.40750 0.61404 0.02975  0.00541  -0.01469 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.49377 0.40862 0.60448 0.01699  0.00866  -0.00403 621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.48861 0.38649 0.61520 0.03932  -0.00198 -0.03940 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.47760 0.38732 0.59589 0.01148  0.00196  -0.01549 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.51233 0.40284 0.64073 0.03480  -0.00826 -0.05448 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.52738 0.42309 0.65209 0.01948  -0.00768 -0.04084 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.53737 0.42774 0.66562 0.01343  -0.01741 -0.05493 621 TYR A OH  
52   N N   . ALA A 45  ? 0.47022 0.43551 0.54632 0.03579  0.03333  -0.02703 622 ALA A N   
53   C CA  . ALA A 45  ? 0.49593 0.47842 0.56651 0.03925  0.03849  -0.04280 622 ALA A CA  
54   C C   . ALA A 45  ? 0.52176 0.50034 0.58647 0.03427  0.03462  -0.04974 622 ALA A C   
55   O O   . ALA A 45  ? 0.53045 0.50543 0.59292 0.02581  0.03319  -0.03770 622 ALA A O   
56   C CB  . ALA A 45  ? 0.49282 0.49605 0.55216 0.03533  0.04718  -0.03563 622 ALA A CB  
57   N N   . ASP A 46  ? 0.49571 0.47764 0.55931 0.04055  0.03209  -0.07088 623 ASP A N   
58   C CA  . ASP A 46  ? 0.54801 0.52659 0.60395 0.03562  0.02439  -0.08130 623 ASP A CA  
59   C C   . ASP A 46  ? 0.55619 0.56381 0.58844 0.03835  0.03137  -0.09414 623 ASP A C   
60   O O   . ASP A 46  ? 0.54569 0.57631 0.57295 0.04497  0.04297  -0.09755 623 ASP A O   
61   C CB  . ASP A 46  ? 0.53358 0.48337 0.60782 0.03919  0.00924  -0.09761 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.63012 0.58083 0.70835 0.05636  0.00904  -0.12589 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.70303 0.68529 0.76821 0.06442  0.02321  -0.13311 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.65490 0.57527 0.75384 0.06228  -0.00578 -0.14024 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.56638 0.57755 0.58455 0.03182  0.02378  -0.09878 624 GLY A N   
66   C CA  . GLY A 47  ? 0.54437 0.58675 0.53368 0.03199  0.02940  -0.10527 624 GLY A CA  
67   C C   . GLY A 47  ? 0.58646 0.63014 0.56224 0.02241  0.01632  -0.10338 624 GLY A C   
68   O O   . GLY A 47  ? 0.51544 0.53902 0.50954 0.01516  0.00450  -0.09580 624 GLY A O   
69   N N   . VAL A 48  ? 0.55361 0.62647 0.49770 0.02181  0.01835  -0.10872 625 VAL A N   
70   C CA  . VAL A 48  ? 0.53384 0.61290 0.46200 0.01256  0.00329  -0.10435 625 VAL A CA  
71   C C   . VAL A 48  ? 0.55947 0.64267 0.49470 0.00344  0.00353  -0.06922 625 VAL A C   
72   O O   . VAL A 48  ? 0.56513 0.63996 0.51400 -0.00293 -0.01020 -0.05951 625 VAL A O   
73   C CB  . VAL A 48  ? 0.58225 0.69366 0.46769 0.01525  0.00327  -0.12232 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.60614 0.72120 0.47562 0.00560  -0.01835 -0.12033 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.64491 0.75403 0.52491 0.03001  0.00569  -0.16368 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.54175 0.63830 0.47244 0.00310  0.01762  -0.05050 626 TYR A N   
77   C CA  . TYR A 49  ? 0.54478 0.64047 0.48359 -0.00355 0.01564  -0.01956 626 TYR A CA  
78   C C   . TYR A 49  ? 0.58387 0.69379 0.50514 -0.01036 0.00028  -0.00770 626 TYR A C   
79   O O   . TYR A 49  ? 0.54885 0.64964 0.48867 -0.01269 -0.01046 0.00946  626 TYR A O   
80   C CB  . TYR A 49  ? 0.55019 0.61956 0.52287 -0.00155 0.01445  -0.01281 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.53478 0.59191 0.52021 0.00425  0.02673  -0.02084 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.54679 0.60897 0.53212 0.00441  0.03710  -0.01079 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.53272 0.57361 0.53201 0.00810  0.02492  -0.03668 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.51496 0.56896 0.51276 0.00963  0.04506  -0.01759 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.47597 0.50618 0.48679 0.01379  0.03301  -0.04087 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.49596 0.53440 0.50509 0.01518  0.04283  -0.03217 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.52128 0.55195 0.54281 0.02073  0.04766  -0.03586 626 TYR A OH  
88   N N   . ASP A 50  ? 0.58854 0.72455 0.47346 -0.01208 -0.00103 -0.01772 627 ASP A N   
89   C CA  . ASP A 50  ? 0.60899 0.76460 0.46820 -0.01954 -0.01689 -0.00396 627 ASP A CA  
90   C C   . ASP A 50  ? 0.66861 0.83638 0.52211 -0.02711 -0.01386 0.03383  627 ASP A C   
91   O O   . ASP A 50  ? 0.63735 0.81983 0.48234 -0.02917 0.00327  0.04125  627 ASP A O   
92   C CB  . ASP A 50  ? 0.64576 0.82914 0.46044 -0.01812 -0.01827 -0.03004 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.69483 0.89266 0.48381 -0.02507 -0.04248 -0.02556 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.69460 0.87837 0.50976 -0.02957 -0.05918 -0.00506 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.72762 0.95324 0.47106 -0.02475 -0.04567 -0.04443 627 ASP A OD2 
96   N N   . MET A 51  ? 0.62005 0.78228 0.48289 -0.03169 -0.03239 0.05892  628 MET A N   
97   C CA  . MET A 51  ? 0.63146 0.79657 0.49511 -0.03927 -0.03635 0.09795  628 MET A CA  
98   C C   . MET A 51  ? 0.63906 0.78935 0.52471 -0.03927 -0.01902 0.10599  628 MET A C   
99   O O   . MET A 51  ? 0.61747 0.78786 0.48670 -0.04801 -0.00810 0.12152  628 MET A O   
100  C CB  . MET A 51  ? 0.69932 0.90294 0.51434 -0.04998 -0.03978 0.11493  628 MET A CB  
101  C CG  . MET A 51  ? 0.72299 0.94271 0.51159 -0.05165 -0.06260 0.11085  628 MET A CG  
102  S SD  . MET A 51  ? 0.91116 1.18608 0.62750 -0.06272 -0.06079 0.12137  628 MET A SD  
103  C CE  . MET A 51  ? 0.83312 1.12832 0.52857 -0.05355 -0.02953 0.07462  628 MET A CE  
104  N N   . LEU A 52  ? 0.60802 0.72687 0.53130 -0.03060 -0.01749 0.09676  629 LEU A N   
105  C CA  . LEU A 52  ? 0.59836 0.70043 0.54225 -0.02893 -0.00369 0.09617  629 LEU A CA  
106  C C   . LEU A 52  ? 0.57174 0.67362 0.51816 -0.03998 -0.00615 0.12871  629 LEU A C   
107  O O   . LEU A 52  ? 0.56681 0.65727 0.52208 -0.04315 -0.02332 0.15391  629 LEU A O   
108  C CB  . LEU A 52  ? 0.55833 0.62977 0.53705 -0.01801 -0.00659 0.08624  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.54251 0.59634 0.53810 -0.01379 0.00612  0.07630  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.53226 0.59414 0.51980 -0.01005 0.01866  0.05099  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.55986 0.58824 0.58447 -0.00352 0.00098  0.07393  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.55193 0.66646 0.49571 -0.04640 0.00909  0.12990  630 HIS A N   
113  C CA  . HIS A 53  ? 0.60882 0.72578 0.55983 -0.06143 0.00668  0.16329  630 HIS A CA  
114  C C   . HIS A 53  ? 0.56558 0.66583 0.54429 -0.06149 0.01506  0.15581  630 HIS A C   
115  O O   . HIS A 53  ? 0.55097 0.63983 0.53856 -0.04915 0.02267  0.12691  630 HIS A O   
116  C CB  . HIS A 53  ? 0.67645 0.84324 0.59355 -0.07562 0.01599  0.18158  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.70190 0.90517 0.60117 -0.06985 0.03884  0.15243  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.68621 0.89409 0.60713 -0.06844 0.05399  0.14110  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.73205 0.96771 0.59643 -0.06309 0.04676  0.12966  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.70735 0.94963 0.61078 -0.05956 0.07113  0.11393  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.71309 0.97104 0.58110 -0.05575 0.06731  0.10457  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.60066 0.69943 0.59395 -0.07736 0.01088  0.18475  631 LEU A N   
123  C CA  . LEU A 54  ? 0.59344 0.67395 0.61611 -0.08004 0.01280  0.17970  631 LEU A CA  
124  C C   . LEU A 54  ? 0.56016 0.67173 0.57905 -0.07572 0.03376  0.15595  631 LEU A C   
125  O O   . LEU A 54  ? 0.56065 0.65399 0.59937 -0.06957 0.03458  0.13849  631 LEU A O   
126  C CB  . LEU A 54  ? 0.58031 0.65809 0.62167 -0.10257 0.00226  0.21871  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.62753 0.68519 0.70307 -0.11023 -0.00196 0.21754  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.54436 0.54442 0.63836 -0.09384 -0.01821 0.19478  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.59864 0.66184 0.69377 -0.13818 -0.01251 0.26198  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.57534 0.73465 0.56887 -0.07718 0.04951  0.15364  632 GLY A N   
131  C CA  . GLY A 55  ? 0.58831 0.77649 0.58226 -0.06800 0.06818  0.12709  632 GLY A CA  
132  C C   . GLY A 55  ? 0.58812 0.74620 0.58568 -0.04811 0.06663  0.09254  632 GLY A C   
133  O O   . GLY A 55  ? 0.51421 0.66643 0.53130 -0.04186 0.07069  0.07779  632 GLY A O   
134  N N   . HIS A 56  ? 0.54877 0.68989 0.52939 -0.03951 0.05922  0.08221  633 HIS A N   
135  C CA  . HIS A 56  ? 0.52666 0.63930 0.51428 -0.02467 0.05631  0.05648  633 HIS A CA  
136  C C   . HIS A 56  ? 0.51966 0.59806 0.53139 -0.02310 0.04916  0.05873  633 HIS A C   
137  O O   . HIS A 56  ? 0.50450 0.57137 0.52563 -0.01434 0.05201  0.04169  633 HIS A O   
138  C CB  . HIS A 56  ? 0.55055 0.65103 0.52527 -0.02003 0.04615  0.05187  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.61590 0.74553 0.56164 -0.02033 0.04833  0.04401  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.60209 0.74708 0.52708 -0.02910 0.04016  0.06364  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.64067 0.78388 0.57375 -0.01172 0.05465  0.01644  633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.66431 0.83560 0.55998 -0.02654 0.04271  0.04734  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.66630 0.83503 0.56771 -0.01521 0.05136  0.01633  633 HIS A NE2 
144  N N   . MET A 57  ? 0.51676 0.57646 0.53736 -0.03032 0.03755  0.07879  634 MET A N   
145  C CA  . MET A 57  ? 0.52653 0.55132 0.56622 -0.02547 0.02887  0.07448  634 MET A CA  
146  C C   . MET A 57  ? 0.49838 0.52451 0.55206 -0.02995 0.03163  0.07105  634 MET A C   
147  O O   . MET A 57  ? 0.47528 0.48402 0.53452 -0.02130 0.03018  0.05494  634 MET A O   
148  C CB  . MET A 57  ? 0.49183 0.49270 0.54213 -0.02963 0.01295  0.09344  634 MET A CB  
149  C CG  . MET A 57  ? 0.55575 0.55786 0.59755 -0.02518 0.00623  0.10045  634 MET A CG  
150  S SD  . MET A 57  ? 0.55603 0.53218 0.61560 -0.03130 -0.01562 0.12946  634 MET A SD  
151  C CE  . MET A 57  ? 0.55788 0.55189 0.60231 -0.02877 -0.02341 0.14173  634 MET A CE  
152  N N   . LYS A 58  ? 0.48891 0.54053 0.54865 -0.04419 0.03537  0.08740  635 LYS A N   
153  C CA  . LYS A 58  ? 0.48226 0.54287 0.56142 -0.04964 0.03692  0.08505  635 LYS A CA  
154  C C   . LYS A 58  ? 0.49628 0.57237 0.57248 -0.03619 0.04803  0.06175  635 LYS A C   
155  O O   . LYS A 58  ? 0.49590 0.56394 0.58564 -0.03315 0.04377  0.05243  635 LYS A O   
156  C CB  . LYS A 58  ? 0.47394 0.57061 0.56488 -0.06917 0.04158  0.11040  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.50472 0.58048 0.60936 -0.08732 0.02530  0.13973  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.56991 0.69161 0.68390 -0.10975 0.03312  0.17110  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.62016 0.72244 0.76850 -0.13264 0.01467  0.19775  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.67901 0.82241 0.83418 -0.15904 0.01947  0.24050  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.49399 0.58988 0.55304 -0.02776 0.05922  0.05179  636 GLN A N   
162  C CA  . GLN A 59  ? 0.50133 0.60456 0.56138 -0.01359 0.06621  0.02955  636 GLN A CA  
163  C C   . GLN A 59  ? 0.47989 0.54672 0.53829 -0.00385 0.05794  0.01810  636 GLN A C   
164  O O   . GLN A 59  ? 0.45041 0.51357 0.51810 0.00330  0.05673  0.00841  636 GLN A O   
165  C CB  . GLN A 59  ? 0.57627 0.70128 0.61816 -0.00655 0.07589  0.01797  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.65853 0.80177 0.70896 0.00711  0.08407  -0.00362 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.71072 0.89478 0.74662 0.01065  0.09712  -0.01311 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.69173 0.87833 0.70184 0.00687  0.09641  -0.01106 636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.71106 0.93085 0.76316 0.01911  0.10861  -0.02463 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.46267 0.50699 0.51020 -0.00313 0.05235  0.02078  637 LEU A N   
171  C CA  . LEU A 60  ? 0.45554 0.47449 0.50134 0.00515  0.04774  0.01242  637 LEU A CA  
172  C C   . LEU A 60  ? 0.46685 0.47046 0.51994 0.00428  0.04039  0.01260  637 LEU A C   
173  O O   . LEU A 60  ? 0.44132 0.43649 0.49179 0.01092  0.03889  0.00453  637 LEU A O   
174  C CB  . LEU A 60  ? 0.46346 0.47106 0.50247 0.00678  0.04459  0.01569  637 LEU A CB  
175  C CG  . LEU A 60  ? 0.47242 0.49334 0.50247 0.00725  0.04753  0.01255  637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.49540 0.51157 0.52354 0.00663  0.04097  0.02018  637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.51359 0.52998 0.54539 0.01394  0.04974  -0.00058 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.45906 0.45778 0.52045 -0.00492 0.03344  0.02256  638 GLU A N   
179  C CA  . GLU A 61  ? 0.49455 0.47651 0.56397 -0.00721 0.02233  0.01931  638 GLU A CA  
180  C C   . GLU A 61  ? 0.47454 0.47218 0.55216 -0.00782 0.02237  0.01481  638 GLU A C   
181  O O   . GLU A 61  ? 0.46240 0.44782 0.53586 -0.00317 0.01444  0.00549  638 GLU A O   
182  C CB  . GLU A 61  ? 0.50315 0.47604 0.58744 -0.02065 0.01171  0.03344  638 GLU A CB  
183  C CG  . GLU A 61  ? 0.52426 0.47495 0.61922 -0.02441 -0.00452 0.02662  638 GLU A CG  
184  C CD  . GLU A 61  ? 0.54722 0.48575 0.66470 -0.04162 -0.01876 0.04337  638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.53415 0.49088 0.65957 -0.05379 -0.01374 0.06600  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.57610 0.48664 0.70306 -0.04420 -0.03678 0.03448  638 GLU A OE2 
187  N N   . GLN A 62  ? 0.44651 0.47491 0.53581 -0.01239 0.03076  0.02094  639 GLN A N   
188  C CA  . GLN A 62  ? 0.44732 0.49658 0.55293 -0.01074 0.03053  0.01714  639 GLN A CA  
189  C C   . GLN A 62  ? 0.47126 0.51094 0.56667 0.00374  0.03042  0.00516  639 GLN A C   
190  O O   . GLN A 62  ? 0.46500 0.50157 0.56548 0.00639  0.02072  0.00210  639 GLN A O   
191  C CB  . GLN A 62  ? 0.46218 0.55245 0.58178 -0.01344 0.04388  0.02222  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.50869 0.62967 0.65840 -0.01802 0.04237  0.02558  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.59289 0.76200 0.75448 -0.01553 0.06020  0.02596  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.59204 0.77901 0.74500 -0.02457 0.07010  0.03678  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.64800 0.84249 0.83148 -0.00318 0.06345  0.01511  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.45568 0.49042 0.53758 0.01154  0.03870  0.00054  640 ALA A N   
197  C CA  . ALA A 63  ? 0.44155 0.46409 0.51707 0.02185  0.03673  -0.00550 640 ALA A CA  
198  C C   . ALA A 63  ? 0.47783 0.47928 0.53737 0.02233  0.02893  -0.00453 640 ALA A C   
199  O O   . ALA A 63  ? 0.49724 0.49514 0.55419 0.02659  0.02206  -0.00407 640 ALA A O   
200  C CB  . ALA A 63  ? 0.45888 0.47768 0.52681 0.02634  0.04396  -0.00980 640 ALA A CB  
201  N N   . LYS A 64  ? 0.49864 0.48806 0.54688 0.01937  0.02933  -0.00450 641 LYS A N   
202  C CA  . LYS A 64  ? 0.49109 0.46595 0.52213 0.02309  0.02429  -0.00883 641 LYS A CA  
203  C C   . LYS A 64  ? 0.51660 0.48970 0.54708 0.02104  0.01106  -0.01256 641 LYS A C   
204  O O   . LYS A 64  ? 0.50890 0.47809 0.52066 0.02579  0.00603  -0.01603 641 LYS A O   
205  C CB  . LYS A 64  ? 0.47687 0.44009 0.50376 0.02355  0.02540  -0.01190 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.51108 0.46243 0.52117 0.03091  0.02141  -0.02286 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.50318 0.46415 0.49687 0.03812  0.03099  -0.02205 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.55613 0.51442 0.52855 0.04748  0.03010  -0.03583 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.53611 0.51192 0.48860 0.05110  0.03904  -0.03027 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.50409 0.48355 0.55462 0.01252  0.00443  -0.01045 642 LYS A N   
211  C CA  . LYS A 65  ? 0.50900 0.48601 0.56418 0.00751  -0.01222 -0.01461 642 LYS A CA  
212  C C   . LYS A 65  ? 0.50995 0.50798 0.58152 0.00788  -0.01766 -0.00987 642 LYS A C   
213  O O   . LYS A 65  ? 0.50611 0.51044 0.59239 0.00090  -0.03281 -0.01050 642 LYS A O   
214  C CB  . LYS A 65  ? 0.52310 0.49424 0.59804 -0.00536 -0.02019 -0.01205 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.51368 0.45592 0.57626 -0.00325 -0.02328 -0.01956 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.53642 0.46599 0.62336 -0.01787 -0.03520 -0.01231 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.57883 0.47275 0.65676 -0.01109 -0.04338 -0.02413 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.56708 0.43927 0.67045 -0.02423 -0.05732 -0.01378 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.48600 0.49379 0.55949 0.01629  -0.00840 -0.00569 643 LEU A N   
220  C CA  . LEU A 66  ? 0.49002 0.51677 0.58589 0.02043  -0.01502 -0.00197 643 LEU A CA  
221  C C   . LEU A 66  ? 0.50439 0.52516 0.58674 0.02241  -0.03343 -0.00114 643 LEU A C   
222  O O   . LEU A 66  ? 0.47717 0.51469 0.58247 0.02250  -0.04666 0.00193  643 LEU A O   
223  C CB  . LEU A 66  ? 0.46218 0.49179 0.56401 0.03095  -0.00448 -0.00057 643 LEU A CB  
224  C CG  . LEU A 66  ? 0.46654 0.51224 0.58426 0.03115  0.01116  -0.00433 643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.45496 0.49153 0.57020 0.04165  0.01764  -0.00830 643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.41682 0.49781 0.57059 0.03045  0.01072  -0.00434 643 LEU A CD2 
227  N N   . PHE A 67  ? 0.50644 0.50872 0.55184 0.02458  -0.03445 -0.00336 644 PHE A N   
228  C CA  . PHE A 67  ? 0.53848 0.53790 0.55944 0.02573  -0.05160 -0.00346 644 PHE A CA  
229  C C   . PHE A 67  ? 0.59076 0.57508 0.57768 0.02444  -0.05180 -0.01749 644 PHE A C   
230  O O   . PHE A 67  ? 0.56188 0.53659 0.54653 0.02484  -0.03790 -0.02343 644 PHE A O   
231  C CB  . PHE A 67  ? 0.56147 0.56081 0.56758 0.03289  -0.05184 0.01086  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.53640 0.54447 0.57920 0.03829  -0.05479 0.02124  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.53150 0.55167 0.59248 0.04090  -0.07495 0.02763  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.51831 0.52269 0.57900 0.04249  -0.03932 0.02215  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.54897 0.57765 0.64932 0.05014  -0.07820 0.03422  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.50049 0.51092 0.59615 0.05124  -0.04284 0.02554  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.53344 0.55606 0.65073 0.05634  -0.06152 0.03133  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.60638 0.58973 0.56669 0.02468  -0.06923 -0.02434 645 GLU A N   
239  C CA  . GLU A 68  ? 0.62979 0.59954 0.55655 0.02696  -0.07205 -0.04481 645 GLU A CA  
240  C C   . GLU A 68  ? 0.64451 0.61361 0.54504 0.03579  -0.04973 -0.04555 645 GLU A C   
241  O O   . GLU A 68  ? 0.67405 0.63133 0.57107 0.03973  -0.04208 -0.06120 645 GLU A O   
242  C CB  . GLU A 68  ? 0.70304 0.67681 0.59768 0.02742  -0.09480 -0.05310 645 GLU A CB  
243  C CG  . GLU A 68  ? 0.78813 0.74699 0.64864 0.03196  -0.10131 -0.08237 645 GLU A CG  
244  C CD  . GLU A 68  ? 0.90343 0.86817 0.72623 0.03236  -0.12620 -0.09398 645 GLU A CD  
245  O OE1 . GLU A 68  ? 0.95686 0.90767 0.75150 0.03698  -0.13666 -0.12450 645 GLU A OE1 
246  O OE2 . GLU A 68  ? 0.86566 0.84814 0.68675 0.02924  -0.13730 -0.07384 645 GLU A OE2 
247  N N   . ASN A 69  ? 0.64283 0.62546 0.52862 0.03870  -0.04079 -0.02731 646 ASN A N   
248  C CA  . ASN A 69  ? 0.65596 0.64638 0.51953 0.04451  -0.01999 -0.02420 646 ASN A CA  
249  C C   . ASN A 69  ? 0.62202 0.61504 0.51206 0.04126  -0.00714 -0.00206 646 ASN A C   
250  O O   . ASN A 69  ? 0.61100 0.60808 0.50525 0.03847  -0.01329 0.01807  646 ASN A O   
251  C CB  . ASN A 69  ? 0.71196 0.71995 0.52775 0.04803  -0.02203 -0.02057 646 ASN A CB  
252  C CG  . ASN A 69  ? 0.80762 0.81463 0.58881 0.05573  -0.02812 -0.05127 646 ASN A CG  
253  O OD1 . ASN A 69  ? 0.87115 0.86810 0.65868 0.06259  -0.01968 -0.07308 646 ASN A OD1 
254  N ND2 . ASN A 69  ? 0.84511 0.86163 0.58886 0.05585  -0.04514 -0.05438 646 ASN A ND2 
255  N N   . THR A 70  ? 0.56883 0.55722 0.47795 0.04195  0.00743  -0.00624 647 THR A N   
256  C CA  . THR A 70  ? 0.56291 0.55086 0.49780 0.03851  0.01652  0.00888  647 THR A CA  
257  C C   . THR A 70  ? 0.57417 0.57024 0.50637 0.04004  0.03406  0.01039  647 THR A C   
258  O O   . THR A 70  ? 0.57576 0.57612 0.49610 0.04620  0.04080  -0.00409 647 THR A O   
259  C CB  . THR A 70  ? 0.55386 0.53313 0.52185 0.03596  0.01429  0.00359  647 THR A CB  
260  O OG1 . THR A 70  ? 0.49379 0.46760 0.46468 0.03659  0.01891  -0.00977 647 THR A OG1 
261  C CG2 . THR A 70  ? 0.52388 0.50379 0.50427 0.03424  -0.00165 0.00260  647 THR A CG2 
262  N N   . THR A 71  ? 0.56315 0.56112 0.51107 0.03497  0.03933  0.02717  648 THR A N   
263  C CA  . THR A 71  ? 0.52661 0.53030 0.48961 0.03331  0.05200  0.02898  648 THR A CA  
264  C C   . THR A 71  ? 0.48676 0.47637 0.47771 0.03004  0.04755  0.02730  648 THR A C   
265  O O   . THR A 71  ? 0.48833 0.46904 0.49125 0.02718  0.03987  0.03580  648 THR A O   
266  C CB  . THR A 71  ? 0.49815 0.51775 0.45843 0.02704  0.05969  0.05030  648 THR A CB  
267  O OG1 . THR A 71  ? 0.56544 0.60634 0.49380 0.03077  0.06628  0.05189  648 THR A OG1 
268  C CG2 . THR A 71  ? 0.53508 0.56523 0.51721 0.02396  0.07081  0.05204  648 THR A CG2 
269  N N   . LEU A 72  ? 0.46568 0.45397 0.46651 0.03160  0.05141  0.01616  649 LEU A N   
270  C CA  . LEU A 72  ? 0.44939 0.43088 0.46916 0.02889  0.04875  0.01283  649 LEU A CA  
271  C C   . LEU A 72  ? 0.47408 0.45976 0.50601 0.02458  0.05302  0.01813  649 LEU A C   
272  O O   . LEU A 72  ? 0.47851 0.47431 0.51181 0.02559  0.05911  0.01745  649 LEU A O   
273  C CB  . LEU A 72  ? 0.43710 0.41700 0.45861 0.03017  0.04772  0.00278  649 LEU A CB  
274  C CG  . LEU A 72  ? 0.43814 0.41987 0.47207 0.02708  0.04776  0.00034  649 LEU A CG  
275  C CD1 . LEU A 72  ? 0.41387 0.39529 0.45666 0.02804  0.04437  -0.00197 649 LEU A CD1 
276  C CD2 . LEU A 72  ? 0.46602 0.44957 0.50070 0.02507  0.04670  -0.00190 649 LEU A CD2 
277  N N   . ILE A 73  ? 0.47865 0.45611 0.52321 0.02031  0.04754  0.02284  650 ILE A N   
278  C CA  . ILE A 73  ? 0.47530 0.45284 0.53576 0.01366  0.04629  0.02588  650 ILE A CA  
279  C C   . ILE A 73  ? 0.46347 0.43574 0.52872 0.01543  0.04173  0.01055  650 ILE A C   
280  O O   . ILE A 73  ? 0.49390 0.45861 0.55989 0.02021  0.03775  0.00180  650 ILE A O   
281  C CB  . ILE A 73  ? 0.46550 0.43197 0.53891 0.00651  0.03908  0.03989  650 ILE A CB  
282  C CG1 . ILE A 73  ? 0.46388 0.44148 0.52523 0.00391  0.04441  0.05912  650 ILE A CG1 
283  C CG2 . ILE A 73  ? 0.47032 0.43612 0.56465 -0.00347 0.03469  0.04307  650 ILE A CG2 
284  C CD1 . ILE A 73  ? 0.53593 0.50062 0.60956 -0.00489 0.03472  0.07970  650 ILE A CD1 
285  N N   . VAL A 74  ? 0.47438 0.45531 0.54260 0.01259  0.04237  0.00741  651 VAL A N   
286  C CA  . VAL A 74  ? 0.47842 0.46006 0.54413 0.01310  0.03786  -0.00567 651 VAL A CA  
287  C C   . VAL A 74  ? 0.48854 0.46480 0.56773 0.00623  0.02810  -0.00921 651 VAL A C   
288  O O   . VAL A 74  ? 0.47838 0.46193 0.57053 -0.00082 0.02686  0.00126  651 VAL A O   
289  C CB  . VAL A 74  ? 0.47169 0.46623 0.52837 0.01416  0.04110  -0.00445 651 VAL A CB  
290  C CG1 . VAL A 74  ? 0.50634 0.50728 0.55357 0.01320  0.03689  -0.01438 651 VAL A CG1 
291  C CG2 . VAL A 74  ? 0.53951 0.53373 0.58767 0.01875  0.04674  -0.00147 651 VAL A CG2 
292  N N   . GLY A 75  ? 0.48072 0.44623 0.55971 0.00870  0.02047  -0.02564 652 GLY A N   
293  C CA  . GLY A 75  ? 0.46413 0.42047 0.55383 0.00248  0.00674  -0.03580 652 GLY A CA  
294  C C   . GLY A 75  ? 0.51680 0.48805 0.58851 0.00348  0.00380  -0.05000 652 GLY A C   
295  O O   . GLY A 75  ? 0.48764 0.46999 0.53947 0.01130  0.01068  -0.06012 652 GLY A O   
296  N N   . VAL A 76  ? 0.50178 0.47768 0.58121 -0.00577 -0.00722 -0.04856 653 VAL A N   
297  C CA  . VAL A 76  ? 0.48630 0.47800 0.54663 -0.00676 -0.01445 -0.05897 653 VAL A CA  
298  C C   . VAL A 76  ? 0.54133 0.51892 0.60504 -0.01072 -0.03363 -0.08205 653 VAL A C   
299  O O   . VAL A 76  ? 0.52383 0.48863 0.61578 -0.02168 -0.04696 -0.07738 653 VAL A O   
300  C CB  . VAL A 76  ? 0.52664 0.53756 0.59488 -0.01282 -0.01591 -0.03937 653 VAL A CB  
301  C CG1 . VAL A 76  ? 0.52066 0.54872 0.56573 -0.01364 -0.02509 -0.04496 653 VAL A CG1 
302  C CG2 . VAL A 76  ? 0.49796 0.51505 0.56712 -0.00697 0.00056  -0.02153 653 VAL A CG2 
303  N N   . THR A 77  ? 0.52642 0.50890 0.56202 -0.00255 -0.03576 -0.10757 654 THR A N   
304  C CA  . THR A 77  ? 0.53153 0.49608 0.56712 -0.00222 -0.05500 -0.13832 654 THR A CA  
305  C C   . THR A 77  ? 0.56376 0.53610 0.59861 -0.01519 -0.07601 -0.14025 654 THR A C   
306  O O   . THR A 77  ? 0.55750 0.55738 0.57684 -0.01913 -0.07437 -0.12503 654 THR A O   
307  C CB  . THR A 77  ? 0.61573 0.59123 0.61826 0.01377  -0.04823 -0.16939 654 THR A CB  
308  O OG1 . THR A 77  ? 0.59761 0.61106 0.56448 0.01354  -0.03798 -0.16073 654 THR A OG1 
309  C CG2 . THR A 77  ? 0.59674 0.56535 0.61009 0.02716  -0.03135 -0.16970 654 THR A CG2 
310  N N   . SER A 78  ? 0.57370 0.51980 0.62831 -0.02204 -0.09912 -0.15910 655 SER A N   
311  C CA  . SER A 78  ? 0.63810 0.58984 0.69900 -0.03659 -0.12418 -0.16272 655 SER A CA  
312  C C   . SER A 78  ? 0.67341 0.64847 0.68443 -0.03031 -0.13142 -0.18735 655 SER A C   
313  O O   . SER A 78  ? 0.65582 0.63815 0.63030 -0.01466 -0.11909 -0.20972 655 SER A O   
314  C CB  . SER A 78  ? 0.67587 0.58900 0.77336 -0.04751 -0.15059 -0.17833 655 SER A CB  
315  O OG  . SER A 78  ? 0.73437 0.62397 0.81051 -0.03520 -0.16315 -0.22323 655 SER A OG  
316  N N   . ASP A 79  ? 0.66310 0.65564 0.67344 -0.04301 -0.15156 -0.18113 656 ASP A N   
317  C CA  . ASP A 79  ? 0.72330 0.74087 0.68243 -0.03967 -0.16271 -0.20114 656 ASP A CA  
318  C C   . ASP A 79  ? 0.77607 0.77229 0.71266 -0.03203 -0.17893 -0.25212 656 ASP A C   
319  O O   . ASP A 79  ? 0.83958 0.85437 0.72530 -0.01740 -0.16919 -0.27732 656 ASP A O   
320  C CB  . ASP A 79  ? 0.77658 0.81471 0.74703 -0.05551 -0.18699 -0.18347 656 ASP A CB  
321  C CG  . ASP A 79  ? 0.75840 0.82740 0.73180 -0.05546 -0.17145 -0.14072 656 ASP A CG  
322  O OD1 . ASP A 79  ? 0.72935 0.80471 0.68609 -0.04466 -0.14396 -0.12736 656 ASP A OD1 
323  O OD2 . ASP A 79  ? 0.82372 0.90946 0.82263 -0.06610 -0.18874 -0.12055 656 ASP A OD2 
324  N N   . ASN A 80  ? 0.75682 0.71454 0.73340 -0.04145 -0.20354 -0.26824 657 ASN A N   
325  C CA  . ASN A 80  ? 0.86347 0.79411 0.82324 -0.03405 -0.22615 -0.32162 657 ASN A CA  
326  C C   . ASN A 80  ? 0.87475 0.79370 0.81711 -0.00911 -0.20362 -0.34861 657 ASN A C   
327  O O   . ASN A 80  ? 0.88996 0.81835 0.78728 0.00771  -0.20520 -0.39276 657 ASN A O   
328  C CB  . ASN A 80  ? 0.89397 0.77910 0.91067 -0.05213 -0.25966 -0.32800 657 ASN A CB  
329  C CG  . ASN A 80  ? 1.02307 0.92567 1.05684 -0.07625 -0.28835 -0.31209 657 ASN A CG  
330  O OD1 . ASN A 80  ? 1.04342 0.98808 1.03889 -0.07653 -0.28886 -0.30511 657 ASN A OD1 
331  N ND2 . ASN A 80  ? 1.08756 0.95895 1.18134 -0.09754 -0.31525 -0.30571 657 ASN A ND2 
332  N N   . GLU A 81  ? 0.82492 0.72779 0.80251 -0.00535 -0.18271 -0.32361 658 GLU A N   
333  C CA  . GLU A 81  ? 0.85842 0.75023 0.83024 0.01863  -0.16450 -0.34750 658 GLU A CA  
334  C C   . GLU A 81  ? 0.87920 0.82315 0.80117 0.03416  -0.13251 -0.34635 658 GLU A C   
335  O O   . GLU A 81  ? 0.91988 0.87383 0.81734 0.05624  -0.12228 -0.38344 658 GLU A O   
336  C CB  . GLU A 81  ? 0.79610 0.65676 0.82006 0.01605  -0.15579 -0.31772 658 GLU A CB  
337  C CG  . GLU A 81  ? 0.81240 0.61441 0.88456 0.00773  -0.18748 -0.33131 658 GLU A CG  
338  C CD  . GLU A 81  ? 0.81330 0.59185 0.93551 -0.00352 -0.18196 -0.28796 658 GLU A CD  
339  O OE1 . GLU A 81  ? 0.78465 0.59390 0.90711 -0.01289 -0.16101 -0.24564 658 GLU A OE1 
340  O OE2 . GLU A 81  ? 0.84389 0.57315 1.00412 -0.00246 -0.19982 -0.29652 658 GLU A OE2 
341  N N   . THR A 82  ? 0.79685 0.77603 0.70645 0.02316  -0.11701 -0.30428 659 THR A N   
342  C CA  . THR A 82  ? 0.82485 0.85401 0.68833 0.03261  -0.09083 -0.29826 659 THR A CA  
343  C C   . THR A 82  ? 0.91650 0.97511 0.72330 0.03928  -0.09963 -0.33512 659 THR A C   
344  O O   . THR A 82  ? 0.91309 1.00651 0.68391 0.05561  -0.07876 -0.35436 659 THR A O   
345  C CB  . THR A 82  ? 0.75840 0.81118 0.62295 0.01784  -0.08074 -0.24695 659 THR A CB  
346  O OG1 . THR A 82  ? 0.73169 0.76054 0.64295 0.01403  -0.07138 -0.21823 659 THR A OG1 
347  C CG2 . THR A 82  ? 0.79407 0.89496 0.61628 0.02356  -0.05636 -0.23468 659 THR A CG2 
348  N N   . LYS A 83  ? 0.90121 0.95190 0.69860 0.02647  -0.13038 -0.34513 660 LYS A N   
349  C CA  . LYS A 83  ? 0.94729 1.02685 0.68430 0.03261  -0.14194 -0.38274 660 LYS A CA  
350  C C   . LYS A 83  ? 1.01583 1.07609 0.74469 0.05546  -0.14539 -0.44506 660 LYS A C   
351  O O   . LYS A 83  ? 1.08845 1.18606 0.76953 0.07145  -0.12822 -0.46818 660 LYS A O   
352  C CB  . LYS A 83  ? 0.98125 1.05414 0.71508 0.01295  -0.17945 -0.38071 660 LYS A CB  
353  C CG  . LYS A 83  ? 0.98901 1.08761 0.72857 -0.00524 -0.17797 -0.32305 660 LYS A CG  
354  C CD  . LYS A 83  ? 1.06586 1.15914 0.81471 -0.02394 -0.21779 -0.32095 660 LYS A CD  
355  C CE  . LYS A 83  ? 1.04087 1.15196 0.81708 -0.03873 -0.21702 -0.26325 660 LYS A CE  
356  N NZ  . LYS A 83  ? 1.01306 1.11353 0.82809 -0.05713 -0.25375 -0.25693 660 LYS A NZ  
357  N N   . LEU A 84  ? 0.98936 0.99005 0.77192 0.05630  -0.16432 -0.46254 661 LEU A N   
358  C CA  . LEU A 84  ? 1.05756 1.02900 0.84769 0.07576  -0.16783 -0.50462 661 LEU A CA  
359  C C   . LEU A 84  ? 1.03971 1.03789 0.82394 0.10153  -0.13058 -0.51108 661 LEU A C   
360  O O   . LEU A 84  ? 1.10119 1.11762 0.85910 0.11995  -0.12105 -0.54089 661 LEU A O   
361  C CB  . LEU A 84  ? 1.07115 0.97229 0.92838 0.06761  -0.19487 -0.50623 661 LEU A CB  
362  C CG  . LEU A 84  ? 1.11485 0.97727 0.98770 0.08318  -0.20804 -0.54392 661 LEU A CG  
363  C CD1 . LEU A 84  ? 1.16220 1.04587 0.98128 0.08690  -0.21880 -0.57822 661 LEU A CD1 
364  C CD2 . LEU A 84  ? 1.17520 0.97125 1.11353 0.06715  -0.23953 -0.53439 661 LEU A CD2 
365  N N   . PHE A 85  ? 1.03425 1.03767 0.84524 0.10292  -0.10988 -0.48367 662 PHE A N   
366  C CA  . PHE A 85  ? 1.01666 1.04000 0.83878 0.12549  -0.07860 -0.48602 662 PHE A CA  
367  C C   . PHE A 85  ? 0.98011 1.07556 0.76195 0.12780  -0.04328 -0.46487 662 PHE A C   
368  O O   . PHE A 85  ? 1.06088 1.18966 0.83741 0.14607  -0.01889 -0.47444 662 PHE A O   
369  C CB  . PHE A 85  ? 0.95799 0.93886 0.84136 0.12659  -0.07875 -0.46784 662 PHE A CB  
370  C CG  . PHE A 85  ? 0.96773 0.87768 0.89876 0.12172  -0.11182 -0.47763 662 PHE A CG  
371  C CD1 . PHE A 85  ? 1.05610 0.94234 0.99722 0.13798  -0.12356 -0.51094 662 PHE A CD1 
372  C CD2 . PHE A 85  ? 0.94997 0.82011 0.91953 0.09925  -0.12973 -0.44706 662 PHE A CD2 
373  C CE1 . PHE A 85  ? 1.08949 0.91140 1.07638 0.13144  -0.15502 -0.51517 662 PHE A CE1 
374  C CE2 . PHE A 85  ? 0.95603 0.76415 0.97219 0.09138  -0.16024 -0.45071 662 PHE A CE2 
375  C CZ  . PHE A 85  ? 1.02712 0.81111 1.05174 0.10676  -0.17281 -0.48195 662 PHE A CZ  
376  N N   . LYS A 86  ? 0.95170 1.07178 0.71354 0.10699  -0.03984 -0.42625 663 LYS A N   
377  C CA  . LYS A 86  ? 0.94983 1.13395 0.67990 0.10396  -0.00851 -0.39472 663 LYS A CA  
378  C C   . LYS A 86  ? 1.02635 1.25676 0.69052 0.09502  -0.01241 -0.39539 663 LYS A C   
379  O O   . LYS A 86  ? 0.99603 1.27707 0.62589 0.10207  0.00972  -0.39551 663 LYS A O   
380  C CB  . LYS A 86  ? 0.96193 1.13527 0.72690 0.08502  -0.00032 -0.33416 663 LYS A CB  
381  C CG  . LYS A 86  ? 0.99276 1.20784 0.76262 0.08856  0.03291  -0.30746 663 LYS A CG  
382  C CD  . LYS A 86  ? 0.94670 1.16170 0.72742 0.06594  0.03591  -0.24930 663 LYS A CD  
383  C CE  . LYS A 86  ? 1.00999 1.25146 0.74619 0.04949  0.02667  -0.22836 663 LYS A CE  
384  N NZ  . LYS A 86  ? 0.98290 1.22437 0.73406 0.03138  0.03024  -0.17340 663 LYS A NZ  
385  N N   . GLY A 87  ? 1.01972 1.22718 0.67785 0.07626  -0.04117 -0.38257 664 GLY A N   
386  C CA  . GLY A 87  ? 1.01152 1.25736 0.60866 0.06671  -0.05261 -0.38219 664 GLY A CA  
387  C C   . GLY A 87  ? 1.01805 1.25298 0.62866 0.04127  -0.06969 -0.32993 664 GLY A C   
388  O O   . GLY A 87  ? 0.97637 1.16752 0.64318 0.03246  -0.07856 -0.30787 664 GLY A O   
389  N N   . GLN A 88  ? 1.03592 1.31503 0.59426 0.03067  -0.07386 -0.30956 665 GLN A N   
390  C CA  . GLN A 88  ? 1.03367 1.30579 0.60366 0.00956  -0.09461 -0.26353 665 GLN A CA  
391  C C   . GLN A 88  ? 0.99889 1.24782 0.62707 0.00286  -0.08012 -0.21711 665 GLN A C   
392  O O   . GLN A 88  ? 1.00496 1.25787 0.64935 0.01080  -0.05146 -0.21019 665 GLN A O   
393  C CB  . GLN A 88  ? 1.12026 1.44874 0.62558 0.00043  -0.09579 -0.23823 665 GLN A CB  
394  N N   . VAL A 89  ? 0.94588 1.17172 0.60811 -0.01069 -0.10138 -0.18851 666 VAL A N   
395  C CA  . VAL A 89  ? 0.86802 1.07813 0.57742 -0.01677 -0.09074 -0.14386 666 VAL A CA  
396  C C   . VAL A 89  ? 0.81817 1.04216 0.52364 -0.02987 -0.11133 -0.10600 666 VAL A C   
397  O O   . VAL A 89  ? 0.76773 0.99410 0.46345 -0.03605 -0.14054 -0.11665 666 VAL A O   
398  C CB  . VAL A 89  ? 0.84808 1.01134 0.61937 -0.01520 -0.09347 -0.15223 666 VAL A CB  
399  C CG1 . VAL A 89  ? 0.92343 1.06749 0.71138 -0.02316 -0.12657 -0.17049 666 VAL A CG1 
400  C CG2 . VAL A 89  ? 0.80573 0.95741 0.61917 -0.01917 -0.08149 -0.11086 666 VAL A CG2 
401  N N   . VAL A 90  ? 0.79411 1.02787 0.50706 -0.03387 -0.09898 -0.06260 667 VAL A N   
402  C CA  . VAL A 90  ? 0.78608 1.03401 0.49415 -0.04381 -0.11982 -0.02460 667 VAL A CA  
403  C C   . VAL A 90  ? 0.77879 0.99887 0.54876 -0.04564 -0.13591 -0.00978 667 VAL A C   
404  O O   . VAL A 90  ? 0.72616 0.95445 0.50116 -0.05153 -0.16420 -0.00003 667 VAL A O   
405  C CB  . VAL A 90  ? 0.84057 1.10902 0.53136 -0.04815 -0.10371 0.01715  667 VAL A CB  
406  C CG1 . VAL A 90  ? 0.84901 1.12186 0.54759 -0.05661 -0.12824 0.06081  667 VAL A CG1 
407  C CG2 . VAL A 90  ? 0.89502 1.20719 0.51994 -0.04897 -0.08966 0.00669  667 VAL A CG2 
408  N N   . GLN A 91  ? 0.69496 0.88748 0.51217 -0.04024 -0.11836 -0.00787 668 GLN A N   
409  C CA  . GLN A 91  ? 0.67758 0.85109 0.55392 -0.03996 -0.12692 0.00479  668 GLN A CA  
410  C C   . GLN A 91  ? 0.66086 0.81459 0.56694 -0.04024 -0.12947 -0.02544 668 GLN A C   
411  O O   . GLN A 91  ? 0.66064 0.80131 0.55543 -0.03634 -0.11604 -0.05186 668 GLN A O   
412  C CB  . GLN A 91  ? 0.63642 0.79475 0.54345 -0.03399 -0.10651 0.02868  668 GLN A CB  
413  C CG  . GLN A 91  ? 0.71732 0.88635 0.60915 -0.03563 -0.10818 0.06414  668 GLN A CG  
414  C CD  . GLN A 91  ? 0.64966 0.79728 0.57448 -0.02954 -0.09198 0.08184  668 GLN A CD  
415  O OE1 . GLN A 91  ? 0.58831 0.72565 0.51070 -0.02720 -0.07002 0.07188  668 GLN A OE1 
416  N NE2 . GLN A 91  ? 0.64491 0.78563 0.60322 -0.02550 -0.10496 0.10584  668 GLN A NE2 
417  N N   . THR A 92  ? 0.61222 0.76500 0.56195 -0.04508 -0.14747 -0.01875 669 THR A N   
418  C CA  . THR A 92  ? 0.57822 0.71395 0.56408 -0.04999 -0.15259 -0.03919 669 THR A CA  
419  C C   . THR A 92  ? 0.54369 0.65842 0.55990 -0.04413 -0.12575 -0.03536 669 THR A C   
420  O O   . THR A 92  ? 0.53265 0.64693 0.54971 -0.03614 -0.10627 -0.01705 669 THR A O   
421  C CB  . THR A 92  ? 0.57968 0.72972 0.61110 -0.05876 -0.17718 -0.02690 669 THR A CB  
422  O OG1 . THR A 92  ? 0.55596 0.71466 0.62677 -0.05188 -0.16524 0.00303  669 THR A OG1 
423  C CG2 . THR A 92  ? 0.64161 0.81522 0.64247 -0.06465 -0.20799 -0.02676 669 THR A CG2 
424  N N   . LEU A 93  ? 0.55951 0.65518 0.60129 -0.04932 -0.12759 -0.05201 670 LEU A N   
425  C CA  . LEU A 93  ? 0.53494 0.61344 0.60434 -0.04550 -0.10520 -0.04503 670 LEU A CA  
426  C C   . LEU A 93  ? 0.49251 0.58655 0.59584 -0.04215 -0.09456 -0.01609 670 LEU A C   
427  O O   . LEU A 93  ? 0.50314 0.59112 0.60453 -0.03291 -0.07283 -0.00688 670 LEU A O   
428  C CB  . LEU A 93  ? 0.56880 0.62595 0.66815 -0.05541 -0.11464 -0.05904 670 LEU A CB  
429  C CG  . LEU A 93  ? 0.54686 0.58863 0.67532 -0.05461 -0.09518 -0.04726 670 LEU A CG  
430  C CD1 . LEU A 93  ? 0.50757 0.53371 0.60573 -0.04115 -0.07449 -0.05515 670 LEU A CD1 
431  C CD2 . LEU A 93  ? 0.52814 0.54904 0.69036 -0.06869 -0.11041 -0.05423 670 LEU A CD2 
432  N N   . GLU A 94  ? 0.52938 0.64560 0.66518 -0.04807 -0.11088 -0.00374 671 GLU A N   
433  C CA  . GLU A 94  ? 0.51882 0.65411 0.69214 -0.04089 -0.10031 0.01923  671 GLU A CA  
434  C C   . GLU A 94  ? 0.50627 0.64156 0.65698 -0.02688 -0.09149 0.03103  671 GLU A C   
435  O O   . GLU A 94  ? 0.49664 0.62930 0.66136 -0.01617 -0.07284 0.03978  671 GLU A O   
436  C CB  . GLU A 94  ? 0.48760 0.65311 0.70587 -0.04861 -0.12113 0.02938  671 GLU A CB  
437  C CG  . GLU A 94  ? 0.59261 0.75873 0.84326 -0.06722 -0.13357 0.02173  671 GLU A CG  
438  C CD  . GLU A 94  ? 0.69492 0.83551 0.91272 -0.07861 -0.15463 -0.00448 671 GLU A CD  
439  O OE1 . GLU A 94  ? 0.58988 0.72843 0.76207 -0.07484 -0.16760 -0.01642 671 GLU A OE1 
440  O OE2 . GLU A 94  ? 0.72657 0.85026 0.96621 -0.09167 -0.15954 -0.01302 671 GLU A OE2 
441  N N   . GLU A 95  ? 0.47888 0.61644 0.59306 -0.02775 -0.10571 0.03161  672 GLU A N   
442  C CA  . GLU A 95  ? 0.49114 0.62600 0.58514 -0.01859 -0.10054 0.04782  672 GLU A CA  
443  C C   . GLU A 95  ? 0.48304 0.59671 0.55320 -0.01409 -0.07631 0.04211  672 GLU A C   
444  O O   . GLU A 95  ? 0.49933 0.60429 0.57783 -0.00542 -0.06549 0.05434  672 GLU A O   
445  C CB  . GLU A 95  ? 0.54435 0.69120 0.59949 -0.02441 -0.12128 0.05341  672 GLU A CB  
446  C CG  . GLU A 95  ? 0.54762 0.71711 0.62620 -0.02712 -0.14945 0.06566  672 GLU A CG  
447  C CD  . GLU A 95  ? 0.65879 0.84255 0.68925 -0.03517 -0.17215 0.06851  672 GLU A CD  
448  O OE1 . GLU A 95  ? 0.64033 0.82124 0.62355 -0.04099 -0.16777 0.04791  672 GLU A OE1 
449  O OE2 . GLU A 95  ? 0.63609 0.83704 0.67669 -0.03477 -0.19584 0.09003  672 GLU A OE2 
450  N N   . ARG A 96  ? 0.49828 0.60297 0.54164 -0.01893 -0.06963 0.02203  673 ARG A N   
451  C CA  . ARG A 96  ? 0.48130 0.57100 0.50755 -0.01424 -0.04827 0.01741  673 ARG A CA  
452  C C   . ARG A 96  ? 0.49485 0.57181 0.55231 -0.00851 -0.03317 0.01908  673 ARG A C   
453  O O   . ARG A 96  ? 0.50855 0.57528 0.56194 -0.00266 -0.01927 0.02389  673 ARG A O   
454  C CB  . ARG A 96  ? 0.50173 0.58757 0.49920 -0.01689 -0.04520 -0.00703 673 ARG A CB  
455  C CG  . ARG A 96  ? 0.56022 0.66495 0.51638 -0.02087 -0.05675 -0.01300 673 ARG A CG  
456  C CD  . ARG A 96  ? 0.56272 0.66593 0.49238 -0.01893 -0.05318 -0.04461 673 ARG A CD  
457  N NE  . ARG A 96  ? 0.59241 0.68512 0.53303 -0.02296 -0.07141 -0.06796 673 ARG A NE  
458  C CZ  . ARG A 96  ? 0.58673 0.65595 0.54424 -0.02059 -0.06944 -0.08973 673 ARG A CZ  
459  N NH1 . ARG A 96  ? 0.53418 0.59061 0.49891 -0.01275 -0.04975 -0.09128 673 ARG A NH1 
460  N NH2 . ARG A 96  ? 0.56522 0.62198 0.53557 -0.02713 -0.09078 -0.10894 673 ARG A NH2 
461  N N   . THR A 97  ? 0.46508 0.54515 0.55320 -0.01161 -0.03636 0.01596  674 THR A N   
462  C CA  . THR A 97  ? 0.47870 0.55399 0.59130 -0.00716 -0.02057 0.01946  674 THR A CA  
463  C C   . THR A 97  ? 0.48738 0.57169 0.61897 0.00396  -0.01516 0.03277  674 THR A C   
464  O O   . THR A 97  ? 0.47124 0.54675 0.60260 0.01204  -0.00016 0.03270  674 THR A O   
465  C CB  . THR A 97  ? 0.46942 0.55111 0.61179 -0.01667 -0.02504 0.01769  674 THR A CB  
466  O OG1 . THR A 97  ? 0.46656 0.53129 0.59403 -0.02504 -0.03348 0.00163  674 THR A OG1 
467  C CG2 . THR A 97  ? 0.42767 0.51097 0.58953 -0.01367 -0.00677 0.02506  674 THR A CG2 
468  N N   . GLU A 98  ? 0.48858 0.58959 0.63746 0.00598  -0.02944 0.04234  675 GLU A N   
469  C CA  . GLU A 98  ? 0.49837 0.60667 0.67270 0.02038  -0.02694 0.05189  675 GLU A CA  
470  C C   . GLU A 98  ? 0.49474 0.57934 0.64725 0.02799  -0.02311 0.05493  675 GLU A C   
471  O O   . GLU A 98  ? 0.48654 0.56372 0.65208 0.04077  -0.01360 0.05293  675 GLU A O   
472  C CB  . GLU A 98  ? 0.49674 0.62729 0.69768 0.02206  -0.04732 0.06301  675 GLU A CB  
473  C CG  . GLU A 98  ? 0.48511 0.63970 0.73531 0.03650  -0.04208 0.06669  675 GLU A CG  
474  C CD  . GLU A 98  ? 0.57647 0.75335 0.85861 0.04165  -0.06453 0.07915  675 GLU A CD  
475  O OE1 . GLU A 98  ? 0.60855 0.78876 0.91851 0.06091  -0.06612 0.08399  675 GLU A OE1 
476  O OE2 . GLU A 98  ? 0.55099 0.74113 0.83167 0.02738  -0.08311 0.08270  675 GLU A OE2 
477  N N   . THR A 99  ? 0.46756 0.54212 0.58730 0.01967  -0.03071 0.05926  676 THR A N   
478  C CA  . THR A 99  ? 0.49006 0.54458 0.59469 0.02247  -0.02820 0.06672  676 THR A CA  
479  C C   . THR A 99  ? 0.47888 0.51825 0.57758 0.02536  -0.00979 0.05427  676 THR A C   
480  O O   . THR A 99  ? 0.49501 0.51793 0.60139 0.03351  -0.00711 0.05510  676 THR A O   
481  C CB  . THR A 99  ? 0.51788 0.57475 0.58722 0.01032  -0.03552 0.07601  676 THR A CB  
482  O OG1 . THR A 99  ? 0.55748 0.63058 0.62663 0.00693  -0.05506 0.08798  676 THR A OG1 
483  C CG2 . THR A 99  ? 0.55487 0.59454 0.61779 0.00958  -0.03575 0.09106  676 THR A CG2 
484  N N   . LEU A 100 ? 0.46858 0.51131 0.55481 0.01908  -0.00017 0.04209  677 LEU A N   
485  C CA  . LEU A 100 ? 0.50410 0.53498 0.58360 0.02091  0.01435  0.03234  677 LEU A CA  
486  C C   . LEU A 100 ? 0.47935 0.50902 0.57792 0.03200  0.02256  0.02865  677 LEU A C   
487  O O   . LEU A 100 ? 0.48805 0.50483 0.57870 0.03611  0.03011  0.02298  677 LEU A O   
488  C CB  . LEU A 100 ? 0.51964 0.55390 0.59029 0.01366  0.01816  0.02202  677 LEU A CB  
489  C CG  . LEU A 100 ? 0.52876 0.56237 0.57445 0.00770  0.01752  0.01592  677 LEU A CG  
490  C CD1 . LEU A 100 ? 0.54571 0.57562 0.59136 0.00517  0.01917  0.00174  677 LEU A CD1 
491  C CD2 . LEU A 100 ? 0.52273 0.54737 0.56030 0.00988  0.02620  0.01776  677 LEU A CD2 
492  N N   . LYS A 101 ? 0.46704 0.51452 0.59069 0.03732  0.02146  0.03057  678 LYS A N   
493  C CA  . LYS A 101 ? 0.47369 0.52897 0.61283 0.04992  0.03309  0.02469  678 LYS A CA  
494  C C   . LYS A 101 ? 0.49570 0.53361 0.63788 0.06421  0.02979  0.02037  678 LYS A C   
495  O O   . LYS A 101 ? 0.52207 0.56059 0.66601 0.07633  0.03989  0.00874  678 LYS A O   
496  C CB  . LYS A 101 ? 0.50615 0.59423 0.67797 0.05243  0.03475  0.02875  678 LYS A CB  
497  C CG  . LYS A 101 ? 0.52797 0.62690 0.72841 0.06676  0.02658  0.03120  678 LYS A CG  
498  C CD  . LYS A 101 ? 0.51172 0.65342 0.75139 0.07051  0.03252  0.03437  678 LYS A CD  
499  C CE  . LYS A 101 ? 0.50997 0.66543 0.78539 0.08665  0.02074  0.03733  678 LYS A CE  
500  N NZ  . LYS A 101 ? 0.55318 0.75518 0.87169 0.09981  0.03342  0.03479  678 LYS A NZ  
501  N N   . HIS A 102 ? 0.44827 0.46936 0.58904 0.06223  0.01473  0.02943  679 HIS A N   
502  C CA  . HIS A 102 ? 0.42907 0.42542 0.57779 0.07342  0.00642  0.02762  679 HIS A CA  
503  C C   . HIS A 102 ? 0.46069 0.43083 0.58675 0.06562  0.00666  0.02498  679 HIS A C   
504  O O   . HIS A 102 ? 0.49800 0.44186 0.63186 0.07133  -0.00362 0.02381  679 HIS A O   
505  C CB  . HIS A 102 ? 0.43377 0.42430 0.59789 0.07344  -0.01353 0.04536  679 HIS A CB  
506  C CG  . HIS A 102 ? 0.43217 0.44895 0.62755 0.08403  -0.01818 0.04791  679 HIS A CG  
507  N ND1 . HIS A 102 ? 0.43661 0.45468 0.66653 0.10653  -0.02104 0.03976  679 HIS A ND1 
508  C CD2 . HIS A 102 ? 0.46408 0.50924 0.66498 0.07576  -0.02142 0.05582  679 HIS A CD2 
509  C CE1 . HIS A 102 ? 0.47329 0.52380 0.73214 0.11157  -0.02506 0.04555  679 HIS A CE1 
510  N NE2 . HIS A 102 ? 0.42775 0.49407 0.66912 0.09145  -0.02650 0.05592  679 HIS A NE2 
511  N N   . ILE A 103 ? 0.47495 0.40903 0.57184 0.00584  -0.08939 0.01117  680 ILE A N   
512  C CA  . ILE A 103 ? 0.45941 0.38266 0.54081 -0.00888 -0.08193 0.01666  680 ILE A CA  
513  C C   . ILE A 103 ? 0.46418 0.40612 0.55815 0.01063  -0.07036 -0.01266 680 ILE A C   
514  O O   . ILE A 103 ? 0.47450 0.44910 0.56071 0.02348  -0.04773 -0.02584 680 ILE A O   
515  C CB  . ILE A 103 ? 0.48243 0.41739 0.52386 -0.03186 -0.05843 0.03520  680 ILE A CB  
516  C CG1 . ILE A 103 ? 0.47624 0.38930 0.48878 -0.04893 -0.07206 0.06302  680 ILE A CG1 
517  C CG2 . ILE A 103 ? 0.44460 0.37909 0.48723 -0.04607 -0.04800 0.03913  680 ILE A CG2 
518  C CD1 . ILE A 103 ? 0.54615 0.41772 0.56807 -0.05987 -0.10189 0.08568  680 ILE A CD1 
519  N N   . ARG A 104 ? 0.51002 0.42802 0.62199 0.01180  -0.08909 -0.02090 681 ARG A N   
520  C CA  . ARG A 104 ? 0.51961 0.44512 0.63913 0.03506  -0.09028 -0.05416 681 ARG A CA  
521  C C   . ARG A 104 ? 0.53172 0.48870 0.62268 0.03485  -0.06166 -0.05922 681 ARG A C   
522  O O   . ARG A 104 ? 0.51163 0.48669 0.58962 0.05877  -0.05319 -0.08341 681 ARG A O   
523  C CB  . ARG A 104 ? 0.55710 0.44432 0.70499 0.02908  -0.12253 -0.05869 681 ARG A CB  
524  C CG  . ARG A 104 ? 0.57021 0.45627 0.72198 0.05453  -0.13424 -0.09798 681 ARG A CG  
525  C CD  . ARG A 104 ? 0.59719 0.44196 0.78780 0.04315  -0.17217 -0.10115 681 ARG A CD  
526  N NE  . ARG A 104 ? 0.63308 0.43521 0.86119 0.03207  -0.20373 -0.08373 681 ARG A NE  
527  C CZ  . ARG A 104 ? 0.64703 0.41911 0.90192 0.05809  -0.23677 -0.10986 681 ARG A CZ  
528  N NH1 . ARG A 104 ? 0.67793 0.46342 0.92250 0.09918  -0.23788 -0.15856 681 ARG A NH1 
529  N NH2 . ARG A 104 ? 0.64659 0.37333 0.93843 0.04384  -0.27012 -0.08663 681 ARG A NH2 
530  N N   . TRP A 105 ? 0.48268 0.44577 0.56215 0.00986  -0.04762 -0.03723 682 TRP A N   
531  C CA  . TRP A 105 ? 0.51404 0.49981 0.57737 0.00990  -0.02902 -0.04276 682 TRP A CA  
532  C C   . TRP A 105 ? 0.49452 0.50731 0.53356 0.01719  -0.00416 -0.04069 682 TRP A C   
533  O O   . TRP A 105 ? 0.48135 0.50917 0.50567 0.02329  0.00715  -0.04648 682 TRP A O   
534  C CB  . TRP A 105 ? 0.46401 0.45095 0.53603 -0.01699 -0.02241 -0.02374 682 TRP A CB  
535  C CG  . TRP A 105 ? 0.47968 0.44020 0.58149 -0.03376 -0.04335 -0.01119 682 TRP A CG  
536  C CD1 . TRP A 105 ? 0.48624 0.43411 0.58625 -0.05660 -0.04248 0.01843  682 TRP A CD1 
537  C CD2 . TRP A 105 ? 0.49956 0.43780 0.63655 -0.02960 -0.07257 -0.02557 682 TRP A CD2 
538  N NE1 . TRP A 105 ? 0.47736 0.39702 0.61357 -0.07017 -0.06693 0.02922  682 TRP A NE1 
539  C CE2 . TRP A 105 ? 0.48880 0.40106 0.65390 -0.05404 -0.08771 0.00045  682 TRP A CE2 
540  C CE3 . TRP A 105 ? 0.46916 0.40407 0.61375 -0.00771 -0.09053 -0.05786 682 TRP A CE3 
541  C CZ2 . TRP A 105 ? 0.52045 0.40192 0.73291 -0.05887 -0.12193 -0.00466 682 TRP A CZ2 
542  C CZ3 . TRP A 105 ? 0.50831 0.41268 0.69385 -0.00900 -0.12654 -0.06924 682 TRP A CZ3 
543  C CH2 . TRP A 105 ? 0.54810 0.42567 0.77391 -0.03582 -0.14269 -0.04242 682 TRP A CH2 
544  N N   . VAL A 106 ? 0.46838 0.48488 0.50817 0.01610  -0.00011 -0.03122 683 VAL A N   
545  C CA  . VAL A 106 ? 0.43445 0.47363 0.46408 0.01660  0.01945  -0.02477 683 VAL A CA  
546  C C   . VAL A 106 ? 0.48392 0.54470 0.51586 0.03926  0.02966  -0.03742 683 VAL A C   
547  O O   . VAL A 106 ? 0.50838 0.57245 0.55930 0.05375  0.02317  -0.04743 683 VAL A O   
548  C CB  . VAL A 106 ? 0.42617 0.45978 0.46103 0.00491  0.01374  -0.01034 683 VAL A CB  
549  C CG1 . VAL A 106 ? 0.45085 0.50519 0.48787 0.00438  0.02768  -0.00556 683 VAL A CG1 
550  C CG2 . VAL A 106 ? 0.46898 0.48465 0.48596 -0.01628 0.00930  0.00375  683 VAL A CG2 
551  N N   . ASP A 107 ? 0.46580 0.54280 0.47872 0.04335  0.04649  -0.03593 684 ASP A N   
552  C CA  . ASP A 107 ? 0.47403 0.57640 0.47853 0.06237  0.06344  -0.04091 684 ASP A CA  
553  C C   . ASP A 107 ? 0.46123 0.58841 0.48537 0.05496  0.08214  -0.02211 684 ASP A C   
554  O O   . ASP A 107 ? 0.46515 0.62054 0.50662 0.06755  0.09677  -0.02388 684 ASP A O   
555  C CB  . ASP A 107 ? 0.47192 0.57383 0.43883 0.07082  0.06730  -0.04465 684 ASP A CB  
556  C CG  . ASP A 107 ? 0.55858 0.63786 0.51521 0.08014  0.04356  -0.06712 684 ASP A CG  
557  O OD1 . ASP A 107 ? 0.54558 0.61861 0.51141 0.09466  0.03189  -0.08693 684 ASP A OD1 
558  O OD2 . ASP A 107 ? 0.53866 0.60591 0.48652 0.07341  0.03329  -0.06645 684 ASP A OD2 
559  N N   . GLU A 108 ? 0.47860 0.59783 0.50603 0.03560  0.08160  -0.00605 685 GLU A N   
560  C CA  . GLU A 108 ? 0.47531 0.61156 0.52929 0.02557  0.09206  0.01163  685 GLU A CA  
561  C C   . GLU A 108 ? 0.44221 0.55696 0.50516 0.00754  0.07524  0.01525  685 GLU A C   
562  O O   . GLU A 108 ? 0.44332 0.53652 0.48311 0.00220  0.06604  0.00893  685 GLU A O   
563  C CB  . GLU A 108 ? 0.43496 0.58207 0.47481 0.02454  0.10949  0.02832  685 GLU A CB  
564  C CG  . GLU A 108 ? 0.52100 0.68674 0.52905 0.04473  0.12655  0.02432  685 GLU A CG  
565  C CD  . GLU A 108 ? 0.59255 0.76661 0.57726 0.04253  0.14316  0.04884  685 GLU A CD  
566  O OE1 . GLU A 108 ? 0.59474 0.75247 0.59124 0.02573  0.13613  0.06660  685 GLU A OE1 
567  O OE2 . GLU A 108 ? 0.59408 0.78878 0.54495 0.05906  0.16181  0.05014  685 GLU A OE2 
568  N N   . ILE A 109 ? 0.43336 0.55663 0.53128 -0.00110 0.07117  0.02408  686 ILE A N   
569  C CA  . ILE A 109 ? 0.40669 0.50723 0.50447 -0.01477 0.05088  0.02286  686 ILE A CA  
570  C C   . ILE A 109 ? 0.40131 0.50588 0.52966 -0.02552 0.04987  0.03417  686 ILE A C   
571  O O   . ILE A 109 ? 0.41041 0.54146 0.58338 -0.02689 0.05893  0.04699  686 ILE A O   
572  C CB  . ILE A 109 ? 0.43981 0.53403 0.55096 -0.01488 0.03011  0.01858  686 ILE A CB  
573  C CG1 . ILE A 109 ? 0.41826 0.49590 0.49920 -0.00933 0.02431  0.01136  686 ILE A CG1 
574  C CG2 . ILE A 109 ? 0.45210 0.52491 0.55814 -0.02735 0.00684  0.01776  686 ILE A CG2 
575  C CD1 . ILE A 109 ? 0.47397 0.53867 0.56647 -0.00857 -0.00062 0.01188  686 ILE A CD1 
576  N N   . ILE A 110 ? 0.39450 0.47467 0.50523 -0.03286 0.03911  0.02887  687 ILE A N   
577  C CA  . ILE A 110 ? 0.42781 0.49850 0.57038 -0.04374 0.02573  0.03379  687 ILE A CA  
578  C C   . ILE A 110 ? 0.45142 0.50069 0.58522 -0.04788 -0.00265 0.01792  687 ILE A C   
579  O O   . ILE A 110 ? 0.47847 0.50708 0.56544 -0.04511 -0.00819 0.00160  687 ILE A O   
580  C CB  . ILE A 110 ? 0.48720 0.54043 0.61710 -0.04422 0.02818  0.03364  687 ILE A CB  
581  C CG1 . ILE A 110 ? 0.49105 0.56095 0.61829 -0.03942 0.05129  0.05265  687 ILE A CG1 
582  C CG2 . ILE A 110 ? 0.51338 0.54763 0.68239 -0.05527 0.00628  0.03547  687 ILE A CG2 
583  C CD1 . ILE A 110 ? 0.47251 0.52140 0.58686 -0.03736 0.04794  0.05365  687 ILE A CD1 
584  N N   . SER A 111 ? 0.43711 0.49370 0.61558 -0.05376 -0.02078 0.02245  688 SER A N   
585  C CA  . SER A 111 ? 0.46651 0.49985 0.63057 -0.05591 -0.05499 0.00767  688 SER A CA  
586  C C   . SER A 111 ? 0.46161 0.49364 0.69111 -0.06636 -0.08284 0.00985  688 SER A C   
587  O O   . SER A 111 ? 0.42735 0.48990 0.72540 -0.07076 -0.08049 0.02533  688 SER A O   
588  C CB  . SER A 111 ? 0.44648 0.48480 0.59548 -0.04981 -0.06119 0.00883  688 SER A CB  
589  O OG  . SER A 111 ? 0.49951 0.51439 0.63514 -0.05197 -0.09994 -0.00016 688 SER A OG  
590  N N   . PRO A 112 ? 0.48907 0.48811 0.70613 -0.06980 -0.11065 -0.00768 689 PRO A N   
591  C CA  . PRO A 112 ? 0.53966 0.51175 0.67899 -0.06097 -0.10755 -0.02961 689 PRO A CA  
592  C C   . PRO A 112 ? 0.52457 0.49652 0.66724 -0.05926 -0.08389 -0.02712 689 PRO A C   
593  O O   . PRO A 112 ? 0.49364 0.47431 0.69459 -0.06767 -0.07925 -0.00812 689 PRO A O   
594  C CB  . PRO A 112 ? 0.57799 0.51555 0.70612 -0.06089 -0.15139 -0.05536 689 PRO A CB  
595  C CG  . PRO A 112 ? 0.56246 0.50415 0.78582 -0.07429 -0.17292 -0.04330 689 PRO A CG  
596  C CD  . PRO A 112 ? 0.50866 0.49451 0.78601 -0.08020 -0.14940 -0.01231 689 PRO A CD  
597  N N   . CYS A 113 ? 0.54247 0.50504 0.62633 -0.04897 -0.07045 -0.04435 690 CYS A N   
598  C CA  . CYS A 113 ? 0.55430 0.51393 0.64265 -0.04394 -0.05480 -0.04638 690 CYS A CA  
599  C C   . CYS A 113 ? 0.59093 0.51930 0.66921 -0.03627 -0.07770 -0.07820 690 CYS A C   
600  O O   . CYS A 113 ? 0.63902 0.55057 0.68388 -0.03212 -0.09947 -0.10267 690 CYS A O   
601  C CB  . CYS A 113 ? 0.54737 0.52488 0.59358 -0.03576 -0.02360 -0.04610 690 CYS A CB  
602  S SG  . CYS A 113 ? 0.59141 0.56422 0.56515 -0.02782 -0.01980 -0.07311 690 CYS A SG  
603  N N   . PRO A 114 ? 0.61007 0.52711 0.71373 -0.03175 -0.07672 -0.08076 691 PRO A N   
604  C CA  . PRO A 114 ? 0.64381 0.52985 0.74167 -0.01893 -0.09947 -0.11817 691 PRO A CA  
605  C C   . PRO A 114 ? 0.68168 0.57944 0.71222 -0.00180 -0.07978 -0.14937 691 PRO A C   
606  O O   . PRO A 114 ? 0.65540 0.58293 0.65891 -0.00183 -0.04752 -0.13665 691 PRO A O   
607  C CB  . PRO A 114 ? 0.68182 0.55552 0.82794 -0.01776 -0.10073 -0.10568 691 PRO A CB  
608  C CG  . PRO A 114 ? 0.65341 0.54748 0.83381 -0.03579 -0.08553 -0.05629 691 PRO A CG  
609  C CD  . PRO A 114 ? 0.61133 0.53950 0.75001 -0.03652 -0.05958 -0.04974 691 PRO A CD  
610  N N   . TRP A 115 ? 0.71130 0.58649 0.71604 0.01285  -0.09962 -0.19128 692 TRP A N   
611  C CA  . TRP A 115 ? 0.77822 0.67187 0.71669 0.02963  -0.07453 -0.22082 692 TRP A CA  
612  C C   . TRP A 115 ? 0.76080 0.67401 0.72097 0.04327  -0.04825 -0.22993 692 TRP A C   
613  O O   . TRP A 115 ? 0.76415 0.71329 0.69564 0.04625  -0.01196 -0.22781 692 TRP A O   
614  C CB  . TRP A 115 ? 0.85652 0.72347 0.75041 0.04584  -0.10127 -0.26804 692 TRP A CB  
615  C CG  . TRP A 115 ? 0.88181 0.77442 0.69217 0.06065  -0.06962 -0.29270 692 TRP A CG  
616  C CD1 . TRP A 115 ? 0.94412 0.84929 0.73413 0.08567  -0.05112 -0.33494 692 TRP A CD1 
617  C CD2 . TRP A 115 ? 0.91575 0.82699 0.65463 0.05080  -0.05099 -0.27352 692 TRP A CD2 
618  N NE1 . TRP A 115 ? 0.94991 0.88599 0.65754 0.09040  -0.01664 -0.34141 692 TRP A NE1 
619  C CE2 . TRP A 115 ? 0.95895 0.89539 0.63192 0.06767  -0.01778 -0.30103 692 TRP A CE2 
620  C CE3 . TRP A 115 ? 0.88579 0.79505 0.61398 0.03011  -0.05976 -0.23496 692 TRP A CE3 
621  C CZ2 . TRP A 115 ? 0.97683 0.93354 0.56845 0.06049  0.00735  -0.28444 692 TRP A CZ2 
622  C CZ3 . TRP A 115 ? 0.91378 0.83683 0.56465 0.02544  -0.04153 -0.22195 692 TRP A CZ3 
623  C CH2 . TRP A 115 ? 0.95575 0.90099 0.53654 0.03857  -0.00784 -0.24321 692 TRP A CH2 
624  N N   . VAL A 116 ? 0.73976 0.62869 0.75670 0.05100  -0.06945 -0.23883 693 VAL A N   
625  C CA  . VAL A 116 ? 0.71797 0.61976 0.76615 0.06674  -0.05483 -0.24930 693 VAL A CA  
626  C C   . VAL A 116 ? 0.67660 0.57561 0.77415 0.05255  -0.05706 -0.20399 693 VAL A C   
627  O O   . VAL A 116 ? 0.70903 0.57880 0.84106 0.03866  -0.08286 -0.17963 693 VAL A O   
628  C CB  . VAL A 116 ? 0.78008 0.65119 0.85243 0.09193  -0.08198 -0.29815 693 VAL A CB  
629  C CG1 . VAL A 116 ? 0.78430 0.65703 0.79279 0.10942  -0.08058 -0.34788 693 VAL A CG1 
630  C CG2 . VAL A 116 ? 0.82314 0.64071 0.95270 0.08194  -0.12993 -0.28491 693 VAL A CG2 
631  N N   . VAL A 117 ? 0.66253 0.59316 0.76340 0.05576  -0.03050 -0.19213 694 VAL A N   
632  C CA  . VAL A 117 ? 0.64467 0.57261 0.77788 0.04735  -0.03336 -0.15362 694 VAL A CA  
633  C C   . VAL A 117 ? 0.66587 0.56017 0.84923 0.06055  -0.06257 -0.16163 694 VAL A C   
634  O O   . VAL A 117 ? 0.64741 0.54062 0.84706 0.08332  -0.06760 -0.20213 694 VAL A O   
635  C CB  . VAL A 117 ? 0.65695 0.62531 0.77768 0.04836  -0.00374 -0.14406 694 VAL A CB  
636  C CG1 . VAL A 117 ? 0.59240 0.55361 0.73819 0.04663  -0.01286 -0.11310 694 VAL A CG1 
637  C CG2 . VAL A 117 ? 0.64392 0.63526 0.72250 0.03261  0.01791  -0.12825 694 VAL A CG2 
638  N N   . THR A 118 ? 0.68781 0.55459 0.89774 0.04693  -0.08200 -0.12221 695 THR A N   
639  C CA  . THR A 118 ? 0.67690 0.50351 0.93517 0.05572  -0.11485 -0.11855 695 THR A CA  
640  C C   . THR A 118 ? 0.66793 0.49580 0.92902 0.05022  -0.11338 -0.07401 695 THR A C   
641  O O   . THR A 118 ? 0.63406 0.48493 0.86363 0.03454  -0.09154 -0.04034 695 THR A O   
642  C CB  . THR A 118 ? 0.67722 0.45721 0.96967 0.04190  -0.14855 -0.10669 695 THR A CB  
643  O OG1 . THR A 118 ? 0.69777 0.48571 0.98480 0.01393  -0.13782 -0.05380 695 THR A OG1 
644  C CG2 . THR A 118 ? 0.72890 0.50111 1.01168 0.04871  -0.15863 -0.15377 695 THR A CG2 
645  N N   . PRO A 119 ? 0.68778 0.48858 0.98395 0.06521  -0.13976 -0.07448 696 PRO A N   
646  C CA  . PRO A 119 ? 0.66180 0.45373 0.95112 0.05968  -0.14664 -0.02713 696 PRO A CA  
647  C C   . PRO A 119 ? 0.68801 0.46791 0.96117 0.03145  -0.14250 0.02912  696 PRO A C   
648  O O   . PRO A 119 ? 0.65648 0.45587 0.89037 0.02396  -0.12457 0.06394  696 PRO A O   
649  C CB  . PRO A 119 ? 0.72715 0.47516 1.06744 0.07883  -0.18875 -0.03617 696 PRO A CB  
650  C CG  . PRO A 119 ? 0.70677 0.46463 1.07666 0.10332  -0.19028 -0.10226 696 PRO A CG  
651  C CD  . PRO A 119 ? 0.70132 0.47389 1.04411 0.08968  -0.16900 -0.11825 696 PRO A CD  
652  N N   . GLU A 120 ? 0.68803 0.43909 0.99387 0.01641  -0.15853 0.03653  697 GLU A N   
653  C CA  . GLU A 120 ? 0.70053 0.44932 1.00711 -0.01291 -0.15047 0.09116  697 GLU A CA  
654  C C   . GLU A 120 ? 0.66354 0.46565 0.92676 -0.02274 -0.10853 0.09704  697 GLU A C   
655  O O   . GLU A 120 ? 0.66129 0.48128 0.90538 -0.03804 -0.08811 0.14240  697 GLU A O   
656  C CB  . GLU A 120 ? 0.68551 0.39667 1.05092 -0.02829 -0.17937 0.09136  697 GLU A CB  
657  C CG  . GLU A 120 ? 0.75643 0.40400 1.17721 -0.01989 -0.22905 0.08585  697 GLU A CG  
658  C CD  . GLU A 120 ? 0.81418 0.45419 1.23767 0.01628  -0.24442 0.02262  697 GLU A CD  
659  O OE1 . GLU A 120 ? 0.82300 0.50189 1.21572 0.03023  -0.22013 -0.02467 697 GLU A OE1 
660  O OE2 . GLU A 120 ? 0.86210 0.45921 1.32101 0.03081  -0.28002 0.02215  697 GLU A OE2 
661  N N   . PHE A 121 ? 0.61329 0.44080 0.86035 -0.01332 -0.09538 0.05213  698 PHE A N   
662  C CA  . PHE A 121 ? 0.63041 0.50201 0.84169 -0.02077 -0.06213 0.05546  698 PHE A CA  
663  C C   . PHE A 121 ? 0.63351 0.53146 0.80092 -0.01343 -0.04007 0.07105  698 PHE A C   
664  O O   . PHE A 121 ? 0.57623 0.49887 0.72164 -0.02280 -0.01785 0.09842  698 PHE A O   
665  C CB  . PHE A 121 ? 0.59240 0.47729 0.79045 -0.01182 -0.05801 0.00762  698 PHE A CB  
666  C CG  . PHE A 121 ? 0.59470 0.51692 0.75970 -0.01814 -0.03128 0.00887  698 PHE A CG  
667  C CD1 . PHE A 121 ? 0.55085 0.47916 0.73079 -0.03386 -0.03177 0.02065  698 PHE A CD1 
668  C CD2 . PHE A 121 ? 0.53714 0.48646 0.66540 -0.00806 -0.01048 -0.00377 698 PHE A CD2 
669  C CE1 . PHE A 121 ? 0.52477 0.48355 0.67972 -0.03660 -0.01268 0.01960  698 PHE A CE1 
670  C CE2 . PHE A 121 ? 0.54898 0.52489 0.65168 -0.01319 0.00817  -0.00300 698 PHE A CE2 
671  C CZ  . PHE A 121 ? 0.56539 0.54492 0.67995 -0.02624 0.00652  0.00860  698 PHE A CZ  
672  N N   . LEU A 122 ? 0.58346 0.47710 0.74252 0.00521  -0.04844 0.05129  699 LEU A N   
673  C CA  . LEU A 122 ? 0.61257 0.52485 0.73407 0.01371  -0.03771 0.06215  699 LEU A CA  
674  C C   . LEU A 122 ? 0.63539 0.53694 0.73470 0.00571  -0.03819 0.11187  699 LEU A C   
675  O O   . LEU A 122 ? 0.61815 0.54332 0.67324 0.00707  -0.01923 0.12559  699 LEU A O   
676  C CB  . LEU A 122 ? 0.62331 0.52953 0.75883 0.03422  -0.05534 0.03500  699 LEU A CB  
677  C CG  . LEU A 122 ? 0.60825 0.53205 0.76503 0.04309  -0.04817 -0.01261 699 LEU A CG  
678  C CD1 . LEU A 122 ? 0.66328 0.58935 0.85018 0.06434  -0.06324 -0.03825 699 LEU A CD1 
679  C CD2 . LEU A 122 ? 0.56787 0.52874 0.69450 0.03569  -0.01830 -0.02248 699 LEU A CD2 
680  N N   . GLU A 123 ? 0.65261 0.51714 0.77948 -0.00170 -0.06051 0.13954  700 GLU A N   
681  C CA  . GLU A 123 ? 0.71414 0.56881 0.81369 -0.01173 -0.05796 0.19472  700 GLU A CA  
682  C C   . GLU A 123 ? 0.72051 0.60598 0.81584 -0.03239 -0.02461 0.22335  700 GLU A C   
683  O O   . GLU A 123 ? 0.76504 0.67288 0.81298 -0.03417 -0.00090 0.25437  700 GLU A O   
684  C CB  . GLU A 123 ? 0.75074 0.55234 0.88799 -0.01669 -0.09440 0.22157  700 GLU A CB  
685  C CG  . GLU A 123 ? 0.91608 0.69487 1.01159 -0.01756 -0.10515 0.27467  700 GLU A CG  
686  C CD  . GLU A 123 ? 0.99755 0.78200 1.04132 0.00801  -0.11508 0.25659  700 GLU A CD  
687  O OE1 . GLU A 123 ? 1.07922 0.87529 1.05363 0.00961  -0.10197 0.28721  700 GLU A OE1 
688  O OE2 . GLU A 123 ? 1.01780 0.79884 1.09188 0.02721  -0.13519 0.20927  700 GLU A OE2 
689  N N   . LYS A 124 ? 0.69216 0.58124 0.83767 -0.04596 -0.02352 0.21082  701 LYS A N   
690  C CA  . LYS A 124 ? 0.67415 0.59666 0.83474 -0.06535 0.00460  0.23578  701 LYS A CA  
691  C C   . LYS A 124 ? 0.65146 0.62207 0.76288 -0.05473 0.03893  0.22387  701 LYS A C   
692  O O   . LYS A 124 ? 0.67183 0.67374 0.76551 -0.06104 0.06832  0.25588  701 LYS A O   
693  C CB  . LYS A 124 ? 0.64626 0.56254 0.86838 -0.07700 -0.00944 0.21272  701 LYS A CB  
694  C CG  . LYS A 124 ? 0.66013 0.61548 0.91396 -0.09581 0.01485  0.23315  701 LYS A CG  
695  C CD  . LYS A 124 ? 0.65550 0.60592 0.95611 -0.10115 -0.00480 0.19875  701 LYS A CD  
696  C CE  . LYS A 124 ? 0.67856 0.65678 1.04340 -0.12531 0.00480  0.22774  701 LYS A CE  
697  N NZ  . LYS A 124 ? 0.67328 0.64573 1.07595 -0.12769 -0.02052 0.19102  701 LYS A NZ  
698  N N   . TYR A 125 ? 0.62095 0.59833 0.71196 -0.03798 0.03602  0.17833  702 TYR A N   
699  C CA  . TYR A 125 ? 0.62125 0.63521 0.67501 -0.02724 0.05990  0.16110  702 TYR A CA  
700  C C   . TYR A 125 ? 0.61225 0.62537 0.60874 -0.00799 0.05859  0.15463  702 TYR A C   
701  O O   . TYR A 125 ? 0.59491 0.63073 0.56296 0.00321  0.07088  0.13430  702 TYR A O   
702  C CB  . TYR A 125 ? 0.59470 0.61466 0.66577 -0.02519 0.05546  0.12078  702 TYR A CB  
703  C CG  . TYR A 125 ? 0.60660 0.63042 0.72634 -0.04149 0.05320  0.12341  702 TYR A CG  
704  C CD1 . TYR A 125 ? 0.61134 0.66938 0.74618 -0.04800 0.07344  0.13524  702 TYR A CD1 
705  C CD2 . TYR A 125 ? 0.61521 0.60867 0.77020 -0.04802 0.02729  0.11063  702 TYR A CD2 
706  C CE1 . TYR A 125 ? 0.59823 0.66068 0.78730 -0.06286 0.06512  0.13686  702 TYR A CE1 
707  C CE2 . TYR A 125 ? 0.57285 0.56576 0.77321 -0.06228 0.01711  0.11006  702 TYR A CE2 
708  C CZ  . TYR A 125 ? 0.58968 0.61737 0.80922 -0.07073 0.03471  0.12448  702 TYR A CZ  
709  O OH  . TYR A 125 ? 0.61151 0.63946 0.88538 -0.08482 0.01866  0.12328  702 TYR A OH  
710  N N   . LYS A 126 ? 0.65078 0.63433 0.63370 -0.00331 0.03818  0.17070  703 LYS A N   
711  C CA  . LYS A 126 ? 0.65351 0.63179 0.58332 0.01549  0.02809  0.16637  703 LYS A CA  
712  C C   . LYS A 126 ? 0.63630 0.62428 0.56826 0.02899  0.02065  0.12001  703 LYS A C   
713  O O   . LYS A 126 ? 0.66246 0.66330 0.55452 0.04196  0.02318  0.10780  703 LYS A O   
714  C CB  . LYS A 126 ? 0.71627 0.71712 0.58505 0.02013  0.05241  0.19136  703 LYS A CB  
715  C CG  . LYS A 126 ? 0.72355 0.73079 0.59839 0.00157  0.07324  0.24176  703 LYS A CG  
716  C CD  . LYS A 126 ? 0.80382 0.76651 0.69210 -0.00760 0.04520  0.27644  703 LYS A CD  
717  C CE  . LYS A 126 ? 0.88466 0.85184 0.78633 -0.03153 0.06537  0.33550  703 LYS A CE  
718  N NZ  . LYS A 126 ? 1.02156 1.02038 0.84839 -0.02716 0.10031  0.36914  703 LYS A NZ  
719  N N   . ILE A 127 ? 0.56710 0.54897 0.54606 0.02588  0.01119  0.09422  704 ILE A N   
720  C CA  . ILE A 127 ? 0.56547 0.56209 0.55503 0.03300  0.01064  0.05658  704 ILE A CA  
721  C C   . ILE A 127 ? 0.55887 0.54411 0.55520 0.04771  -0.01473 0.04381  704 ILE A C   
722  O O   . ILE A 127 ? 0.55449 0.51694 0.57542 0.05162  -0.03499 0.04862  704 ILE A O   
723  C CB  . ILE A 127 ? 0.56417 0.56391 0.59198 0.02419  0.01597  0.03620  704 ILE A CB  
724  C CG1 . ILE A 127 ? 0.51263 0.52824 0.53514 0.01233  0.03561  0.04155  704 ILE A CG1 
725  C CG2 . ILE A 127 ? 0.49758 0.51224 0.53987 0.03038  0.01625  0.00347  704 ILE A CG2 
726  C CD1 . ILE A 127 ? 0.53384 0.54021 0.58693 0.00192  0.03226  0.03401  704 ILE A CD1 
727  N N   . ASP A 128 ? 0.52249 0.52172 0.50529 0.05661  -0.01845 0.02639  705 ASP A N   
728  C CA  . ASP A 128 ? 0.53328 0.52643 0.53450 0.07037  -0.04646 0.01227  705 ASP A CA  
729  C C   . ASP A 128 ? 0.52042 0.53306 0.58255 0.06989  -0.04449 -0.01882 705 ASP A C   
730  O O   . ASP A 128 ? 0.51169 0.52111 0.61432 0.08066  -0.06529 -0.03040 705 ASP A O   
731  C CB  . ASP A 128 ? 0.55351 0.54968 0.51520 0.08096  -0.05887 0.00771  705 ASP A CB  
732  C CG  . ASP A 128 ? 0.62673 0.60824 0.51709 0.08618  -0.05813 0.03691  705 ASP A CG  
733  O OD1 . ASP A 128 ? 0.65979 0.61764 0.53473 0.08938  -0.07370 0.06230  705 ASP A OD1 
734  O OD2 . ASP A 128 ? 0.63694 0.63125 0.48762 0.08768  -0.04121 0.03518  705 ASP A OD2 
735  N N   . TYR A 129 ? 0.45214 0.48673 0.52277 0.05845  -0.01949 -0.03127 706 TYR A N   
736  C CA  . TYR A 129 ? 0.46907 0.52839 0.58905 0.05614  -0.00978 -0.05602 706 TYR A CA  
737  C C   . TYR A 129 ? 0.45942 0.52799 0.56994 0.04237  0.01768  -0.05826 706 TYR A C   
738  O O   . TYR A 129 ? 0.48645 0.54910 0.56207 0.03376  0.02669  -0.04459 706 TYR A O   
739  C CB  . TYR A 129 ? 0.44171 0.52252 0.58518 0.05587  -0.01530 -0.06862 706 TYR A CB  
740  C CG  . TYR A 129 ? 0.46277 0.53383 0.61474 0.07057  -0.05020 -0.07063 706 TYR A CG  
741  C CD1 . TYR A 129 ? 0.46919 0.51957 0.56640 0.07671  -0.06721 -0.05906 706 TYR A CD1 
742  C CD2 . TYR A 129 ? 0.42491 0.50935 0.63887 0.08065  -0.06747 -0.08669 706 TYR A CD2 
743  C CE1 . TYR A 129 ? 0.48947 0.52644 0.58201 0.09214  -0.10465 -0.06204 706 TYR A CE1 
744  C CE2 . TYR A 129 ? 0.43189 0.50417 0.65495 0.09543  -0.10783 -0.08889 706 TYR A CE2 
745  C CZ  . TYR A 129 ? 0.45210 0.49770 0.60787 0.10060  -0.12772 -0.07576 706 TYR A CZ  
746  O OH  . TYR A 129 ? 0.49182 0.52072 0.64198 0.11677  -0.17173 -0.07850 706 TYR A OH  
747  N N   . VAL A 130 ? 0.45818 0.54313 0.59957 0.04272  0.02982  -0.07760 707 VAL A N   
748  C CA  . VAL A 130 ? 0.48624 0.58055 0.61171 0.03183  0.05311  -0.08322 707 VAL A CA  
749  C C   . VAL A 130 ? 0.47702 0.60584 0.62240 0.02424  0.07255  -0.09231 707 VAL A C   
750  O O   . VAL A 130 ? 0.43729 0.59168 0.62950 0.03147  0.07554  -0.10807 707 VAL A O   
751  C CB  . VAL A 130 ? 0.50465 0.58912 0.63805 0.03973  0.05283  -0.09980 707 VAL A CB  
752  C CG1 . VAL A 130 ? 0.52522 0.62160 0.63337 0.03174  0.07490  -0.11117 707 VAL A CG1 
753  C CG2 . VAL A 130 ? 0.50312 0.55068 0.62380 0.04030  0.03266  -0.08281 707 VAL A CG2 
754  N N   . ALA A 131 ? 0.43177 0.56231 0.54945 0.00901  0.08414  -0.07977 708 ALA A N   
755  C CA  . ALA A 131 ? 0.47423 0.63263 0.60918 -0.00405 0.10219  -0.07842 708 ALA A CA  
756  C C   . ALA A 131 ? 0.53657 0.70705 0.64493 -0.01086 0.12786  -0.08247 708 ALA A C   
757  O O   . ALA A 131 ? 0.54589 0.69424 0.60782 -0.01562 0.12578  -0.07454 708 ALA A O   
758  C CB  . ALA A 131 ? 0.49287 0.63839 0.61436 -0.01592 0.09296  -0.06054 708 ALA A CB  
759  N N   . HIS A 132 ? 0.55835 0.76631 0.69599 -0.01001 0.15152  -0.09570 709 HIS A N   
760  C CA  . HIS A 132 ? 0.61316 0.83879 0.71658 -0.01283 0.18046  -0.10316 709 HIS A CA  
761  C C   . HIS A 132 ? 0.66530 0.93956 0.80039 -0.02671 0.21349  -0.09569 709 HIS A C   
762  O O   . HIS A 132 ? 0.59109 0.89253 0.79585 -0.02751 0.21303  -0.09727 709 HIS A O   
763  C CB  . HIS A 132 ? 0.66132 0.88997 0.76674 0.01021  0.18261  -0.13673 709 HIS A CB  
764  C CG  . HIS A 132 ? 0.75978 0.99752 0.81014 0.01214  0.20644  -0.15012 709 HIS A CG  
765  N ND1 . HIS A 132 ? 0.81882 1.08699 0.87969 0.03166  0.22799  -0.18527 709 HIS A ND1 
766  C CD2 . HIS A 132 ? 0.79382 1.01024 0.77303 0.00093  0.20711  -0.13679 709 HIS A CD2 
767  C CE1 . HIS A 132 ? 0.83293 1.09846 0.82269 0.03183  0.24324  -0.19148 709 HIS A CE1 
768  N NE2 . HIS A 132 ? 0.89827 1.13238 0.83708 0.01236  0.22979  -0.16219 709 HIS A NE2 
769  N N   . ASP A 133 ? 0.68397 0.97091 0.76902 -0.03806 0.24180  -0.08638 710 ASP A N   
770  C CA  . ASP A 133 ? 0.71138 1.04861 0.82329 -0.05399 0.27965  -0.07228 710 ASP A CA  
771  C C   . ASP A 133 ? 0.74065 1.11720 0.88384 -0.03153 0.30050  -0.09674 710 ASP A C   
772  O O   . ASP A 133 ? 0.80362 1.22268 0.98367 -0.03950 0.32652  -0.08112 710 ASP A O   
773  C CB  . ASP A 133 ? 0.75413 1.07826 0.78943 -0.07176 0.29394  -0.04105 710 ASP A CB  
774  C CG  . ASP A 133 ? 0.83802 1.12979 0.78589 -0.05758 0.28601  -0.05732 710 ASP A CG  
775  O OD1 . ASP A 133 ? 0.89183 1.19233 0.83064 -0.03244 0.29237  -0.09048 710 ASP A OD1 
776  O OD2 . ASP A 133 ? 0.91923 1.17438 0.81134 -0.07082 0.26904  -0.03829 710 ASP A OD2 
777  N N   . ASP A 134 ? 1.02343 1.02974 0.71087 -0.06304 0.06170  -0.03405 711 ASP A N   
778  C CA  . ASP A 134 ? 1.08528 1.10805 0.74060 -0.05049 0.08076  -0.05924 711 ASP A CA  
779  C C   . ASP A 134 ? 1.14857 1.19893 0.73363 -0.04050 0.08987  -0.04974 711 ASP A C   
780  O O   . ASP A 134 ? 1.20406 1.28468 0.75977 -0.02488 0.11432  -0.06054 711 ASP A O   
781  C CB  . ASP A 134 ? 1.03713 1.07635 0.73469 -0.05174 0.11063  -0.05650 711 ASP A CB  
782  N N   . ILE A 135 ? 1.16517 1.21367 0.72144 -0.04589 0.07155  -0.02786 712 ILE A N   
783  C CA  . ILE A 135 ? 1.20330 1.28704 0.68880 -0.03433 0.07698  -0.01550 712 ILE A CA  
784  C C   . ILE A 135 ? 1.32155 1.38385 0.75161 -0.02018 0.04398  -0.05739 712 ILE A C   
785  O O   . ILE A 135 ? 1.31623 1.34441 0.76237 -0.03217 0.01061  -0.05691 712 ILE A O   
786  C CB  . ILE A 135 ? 1.15697 1.25653 0.65036 -0.05020 0.07509  0.04082  712 ILE A CB  
787  N N   . PRO A 136 ? 1.38506 1.46710 0.75313 0.00696  0.04838  -0.09326 713 PRO A N   
788  C CA  . PRO A 136 ? 1.42926 1.47503 0.76234 0.02154  0.00733  -0.14632 713 PRO A CA  
789  C C   . PRO A 136 ? 1.49303 1.52414 0.79475 0.01329  -0.03064 -0.13490 713 PRO A C   
790  O O   . PRO A 136 ? 1.44599 1.50879 0.72397 0.00648  -0.02077 -0.09172 713 PRO A O   
791  C CB  . PRO A 136 ? 1.47778 1.55879 0.73871 0.06030  0.02253  -0.18466 713 PRO A CB  
792  N N   . TYR A 137 ? 1.54747 1.53091 0.85817 0.01226  -0.07770 -0.16985 714 TYR A N   
793  C CA  . TYR A 137 ? 1.58980 1.55500 0.87408 0.00518  -0.12187 -0.16457 714 TYR A CA  
794  C C   . TYR A 137 ? 1.65086 1.56930 0.93072 0.01613  -0.17576 -0.21974 714 TYR A C   
795  O O   . TYR A 137 ? 1.64380 1.53772 0.96903 0.01981  -0.18027 -0.24953 714 TYR A O   
796  C CB  . TYR A 137 ? 1.50828 1.46061 0.85937 -0.02598 -0.12870 -0.11493 714 TYR A CB  
797  N N   . ASP A 144 ? 1.25341 1.15350 0.79608 0.09692  -0.04369 -0.40251 739 ASP A N   
798  C CA  . ASP A 144 ? 1.19409 1.10572 0.79530 0.05813  -0.02828 -0.34388 739 ASP A CA  
799  C C   . ASP A 144 ? 1.16714 1.04200 0.85161 0.03470  -0.07496 -0.33585 739 ASP A C   
800  O O   . ASP A 144 ? 1.12106 0.99118 0.87889 0.02897  -0.07693 -0.33694 739 ASP A O   
801  C CB  . ASP A 144 ? 1.15363 1.10314 0.79103 0.05180  0.02589  -0.31758 739 ASP A CB  
802  C CG  . ASP A 144 ? 1.14844 1.11193 0.83217 0.01980  0.04067  -0.26403 739 ASP A CG  
803  O OD1 . ASP A 144 ? 1.14915 1.09920 0.83046 0.00525  0.01511  -0.24484 739 ASP A OD1 
804  O OD2 . ASP A 144 ? 1.08202 1.06958 0.80576 0.01162  0.07483  -0.24325 739 ASP A OD2 
805  N N   . ILE A 145 ? 1.14134 0.99802 0.81874 0.02116  -0.11250 -0.32131 740 ILE A N   
806  C CA  . ILE A 145 ? 1.09742 0.93020 0.85684 -0.00002 -0.16021 -0.30433 740 ILE A CA  
807  C C   . ILE A 145 ? 1.00493 0.87091 0.84268 -0.02187 -0.13460 -0.25548 740 ILE A C   
808  O O   . ILE A 145 ? 0.96961 0.83504 0.89041 -0.03591 -0.16466 -0.23464 740 ILE A O   
809  C CB  . ILE A 145 ? 1.12237 0.93694 0.85427 -0.00921 -0.20268 -0.29293 740 ILE A CB  
810  N N   . TYR A 146 ? 0.98910 0.88847 0.80520 -0.02309 -0.08263 -0.23511 741 TYR A N   
811  C CA  . TYR A 146 ? 0.91355 0.84591 0.78886 -0.03672 -0.05741 -0.19712 741 TYR A CA  
812  C C   . TYR A 146 ? 0.83464 0.78370 0.74993 -0.03215 -0.02828 -0.20640 741 TYR A C   
813  O O   . TYR A 146 ? 0.72822 0.70747 0.68866 -0.03998 -0.00793 -0.17989 741 TYR A O   
814  C CB  . TYR A 146 ? 0.92936 0.88006 0.76395 -0.04089 -0.02806 -0.17121 741 TYR A CB  
815  C CG  . TYR A 146 ? 0.94908 0.89189 0.76291 -0.04834 -0.05470 -0.15007 741 TYR A CG  
816  C CD1 . TYR A 146 ? 0.92995 0.88628 0.80025 -0.05772 -0.07566 -0.11903 741 TYR A CD1 
817  C CD2 . TYR A 146 ? 0.99002 0.92043 0.72964 -0.04363 -0.05877 -0.15770 741 TYR A CD2 
818  C CE1 . TYR A 146 ? 0.93729 0.89038 0.79332 -0.06338 -0.09936 -0.09635 741 TYR A CE1 
819  C CE2 . TYR A 146 ? 1.00751 0.93194 0.73171 -0.05150 -0.08398 -0.13578 741 TYR A CE2 
820  C CZ  . TYR A 146 ? 0.98848 0.92160 0.77266 -0.06194 -0.10437 -0.10559 741 TYR A CZ  
821  O OH  . TYR A 146 ? 0.96780 0.89858 0.74098 -0.06850 -0.12886 -0.08097 741 TYR A OH  
822  N N   . ALA A 147 ? 0.88248 0.81469 0.78169 -0.01647 -0.02760 -0.24518 742 ALA A N   
823  C CA  . ALA A 147 ? 0.82803 0.77709 0.77119 -0.01224 -0.00146 -0.25183 742 ALA A CA  
824  C C   . ALA A 147 ? 0.72077 0.68571 0.76055 -0.02696 -0.01894 -0.22566 742 ALA A C   
825  O O   . ALA A 147 ? 0.61669 0.61418 0.69670 -0.03114 0.00944  -0.20872 742 ALA A O   
826  C CB  . ALA A 147 ? 0.87716 0.80305 0.79436 0.01196  -0.00737 -0.30090 742 ALA A CB  
827  N N   . TRP A 148 ? 0.68597 0.63515 0.76805 -0.03484 -0.06744 -0.21704 743 TRP A N   
828  C CA  . TRP A 148 ? 0.61663 0.59705 0.79840 -0.04762 -0.08386 -0.18103 743 TRP A CA  
829  C C   . TRP A 148 ? 0.59203 0.62514 0.78788 -0.05438 -0.05720 -0.13855 743 TRP A C   
830  O O   . TRP A 148 ? 0.54750 0.62538 0.80806 -0.05691 -0.04701 -0.11336 743 TRP A O   
831  C CB  . TRP A 148 ? 0.65737 0.61710 0.89223 -0.05687 -0.14526 -0.16929 743 TRP A CB  
832  C CG  . TRP A 148 ? 0.67346 0.63636 0.88715 -0.06552 -0.16612 -0.14243 743 TRP A CG  
833  C CD1 . TRP A 148 ? 0.77409 0.69547 0.91579 -0.06192 -0.18594 -0.16643 743 TRP A CD1 
834  C CD2 . TRP A 148 ? 0.60596 0.62170 0.87554 -0.07636 -0.17277 -0.08470 743 TRP A CD2 
835  N NE1 . TRP A 148 ? 0.74935 0.68933 0.90059 -0.07307 -0.20362 -0.12653 743 TRP A NE1 
836  C CE2 . TRP A 148 ? 0.67047 0.66959 0.89922 -0.08024 -0.19489 -0.07637 743 TRP A CE2 
837  C CE3 . TRP A 148 ? 0.58428 0.66811 0.93098 -0.07913 -0.16048 -0.03847 743 TRP A CE3 
838  C CZ2 . TRP A 148 ? 0.64207 0.68874 0.90862 -0.08634 -0.20489 -0.02277 743 TRP A CZ2 
839  C CZ3 . TRP A 148 ? 0.55729 0.69465 0.93583 -0.08136 -0.16896 0.01332  743 TRP A CZ3 
840  C CH2 . TRP A 148 ? 0.57654 0.69389 0.91678 -0.08478 -0.19091 0.02092  743 TRP A CH2 
841  N N   . LEU A 149 ? 0.57758 0.60848 0.71420 -0.05419 -0.04761 -0.13149 744 LEU A N   
842  C CA  . LEU A 149 ? 0.55194 0.62676 0.69728 -0.05370 -0.02543 -0.10072 744 LEU A CA  
843  C C   . LEU A 149 ? 0.51392 0.60269 0.64817 -0.04869 0.01634  -0.11171 744 LEU A C   
844  O O   . LEU A 149 ? 0.47175 0.60387 0.64638 -0.04536 0.02848  -0.09324 744 LEU A O   
845  C CB  . LEU A 149 ? 0.56589 0.62815 0.65634 -0.05375 -0.02995 -0.09214 744 LEU A CB  
846  C CG  . LEU A 149 ? 0.57296 0.63809 0.68728 -0.05931 -0.07077 -0.06715 744 LEU A CG  
847  C CD1 . LEU A 149 ? 0.61209 0.65083 0.65890 -0.05992 -0.07494 -0.06891 744 LEU A CD1 
848  C CD2 . LEU A 149 ? 0.50706 0.63632 0.68676 -0.05482 -0.07261 -0.02460 744 LEU A CD2 
849  N N   . LYS A 150 ? 0.54919 0.60808 0.62939 -0.04619 0.03721  -0.13902 745 LYS A N   
850  C CA  . LYS A 150 ? 0.51409 0.58710 0.59348 -0.04411 0.07364  -0.14429 745 LYS A CA  
851  C C   . LYS A 150 ? 0.49468 0.59241 0.63917 -0.04359 0.07846  -0.14477 745 LYS A C   
852  O O   . LYS A 150 ? 0.50195 0.63195 0.67649 -0.04361 0.09605  -0.13303 745 LYS A O   
853  C CB  . LYS A 150 ? 0.55392 0.60332 0.57149 -0.03946 0.09404  -0.16533 745 LYS A CB  
854  C CG  . LYS A 150 ? 0.62480 0.66154 0.58292 -0.04144 0.09512  -0.15537 745 LYS A CG  
855  C CD  . LYS A 150 ? 0.73342 0.76415 0.63127 -0.03306 0.11520  -0.16891 745 LYS A CD  
856  C CE  . LYS A 150 ? 0.73083 0.75436 0.57357 -0.03544 0.11042  -0.15384 745 LYS A CE  
857  N NZ  . LYS A 150 ? 0.86091 0.89222 0.63956 -0.02202 0.12614  -0.16408 745 LYS A NZ  
858  N N   . ARG A 151 ? 0.50957 0.59172 0.68031 -0.04227 0.05827  -0.15858 746 ARG A N   
859  C CA  . ARG A 151 ? 0.47378 0.58030 0.71921 -0.04332 0.05637  -0.15285 746 ARG A CA  
860  C C   . ARG A 151 ? 0.46459 0.62722 0.77117 -0.04754 0.05053  -0.11355 746 ARG A C   
861  O O   . ARG A 151 ? 0.45715 0.65819 0.81300 -0.04713 0.06424  -0.10235 746 ARG A O   
862  C CB  . ARG A 151 ? 0.50453 0.57948 0.78068 -0.04193 0.02000  -0.16922 746 ARG A CB  
863  C CG  . ARG A 151 ? 0.55318 0.62380 0.87008 -0.03571 0.02651  -0.18860 746 ARG A CG  
864  C CD  . ARG A 151 ? 0.61676 0.63827 0.94939 -0.02901 -0.01780 -0.21745 746 ARG A CD  
865  N NE  . ARG A 151 ? 0.71499 0.69250 0.95374 -0.01248 -0.01683 -0.26064 746 ARG A NE  
866  C CZ  . ARG A 151 ? 0.75789 0.69503 0.96765 -0.00910 -0.05809 -0.27873 746 ARG A CZ  
867  N NH1 . ARG A 151 ? 0.71420 0.64501 0.98659 -0.02455 -0.10633 -0.25365 746 ARG A NH1 
868  N NH2 . ARG A 151 ? 0.82149 0.73094 0.93885 0.01096  -0.05168 -0.31873 746 ARG A NH2 
869  N N   . ALA A 152 ? 0.40381 0.61405 0.87720 -0.01539 -0.09891 -0.20015 747 ALA A N   
870  C CA  . ALA A 152 ? 0.38755 0.60682 0.88837 -0.02330 -0.10130 -0.16878 747 ALA A CA  
871  C C   . ALA A 152 ? 0.37485 0.59286 0.84818 -0.03174 -0.07004 -0.15987 747 ALA A C   
872  O O   . ALA A 152 ? 0.42502 0.64812 0.90796 -0.02851 -0.06776 -0.13588 747 ALA A O   
873  C CB  . ALA A 152 ? 0.34364 0.55311 0.86131 -0.01489 -0.12608 -0.14003 747 ALA A CB  
874  N N   . GLY A 153 ? 0.34962 0.55238 0.77843 -0.03744 -0.04654 -0.17313 748 GLY A N   
875  C CA  . GLY A 153 ? 0.32649 0.50536 0.71308 -0.04413 -0.02628 -0.16341 748 GLY A CA  
876  C C   . GLY A 153 ? 0.38965 0.54528 0.73787 -0.03158 -0.01770 -0.14485 748 GLY A C   
877  O O   . GLY A 153 ? 0.39707 0.52464 0.70504 -0.02816 -0.00651 -0.13438 748 GLY A O   
878  N N   . LYS A 154 ? 0.38464 0.54396 0.73938 -0.02203 -0.02642 -0.14039 749 LYS A N   
879  C CA  . LYS A 154 ? 0.41813 0.56269 0.75161 -0.00970 -0.02066 -0.11545 749 LYS A CA  
880  C C   . LYS A 154 ? 0.46610 0.58795 0.75452 -0.00973 -0.01029 -0.12351 749 LYS A C   
881  O O   . LYS A 154 ? 0.44459 0.55550 0.72132 -0.00006 -0.00970 -0.10312 749 LYS A O   
882  C CB  . LYS A 154 ? 0.37717 0.54447 0.76934 0.00020  -0.04730 -0.08896 749 LYS A CB  
883  C CG  . LYS A 154 ? 0.39780 0.59435 0.83946 0.00442  -0.05351 -0.06830 749 LYS A CG  
884  C CD  . LYS A 154 ? 0.40151 0.62610 0.92435 0.00682  -0.09086 -0.04078 749 LYS A CD  
885  C CE  . LYS A 154 ? 0.44491 0.70546 1.01675 0.02342  -0.08327 0.01427  749 LYS A CE  
886  N NZ  . LYS A 154 ? 0.41280 0.68007 0.96531 0.02795  -0.06335 0.00659  749 LYS A NZ  
887  N N   . PHE A 155 ? 0.45346 0.57277 0.72094 -0.01776 -0.00030 -0.14650 750 PHE A N   
888  C CA  . PHE A 155 ? 0.49468 0.59700 0.71786 -0.01408 0.01302  -0.15000 750 PHE A CA  
889  C C   . PHE A 155 ? 0.53131 0.61650 0.72271 -0.02652 0.03776  -0.14305 750 PHE A C   
890  O O   . PHE A 155 ? 0.46878 0.56107 0.67415 -0.04061 0.04311  -0.14720 750 PHE A O   
891  C CB  . PHE A 155 ? 0.49238 0.60562 0.70971 -0.00497 0.01173  -0.17123 750 PHE A CB  
892  C CG  . PHE A 155 ? 0.54020 0.63789 0.70482 0.00689  0.02747  -0.17193 750 PHE A CG  
893  C CD1 . PHE A 155 ? 0.66480 0.73891 0.80003 0.02740  0.00463  -0.17951 750 PHE A CD1 
894  C CD2 . PHE A 155 ? 0.57185 0.67564 0.71852 -0.00213 0.05988  -0.16169 750 PHE A CD2 
895  C CE1 . PHE A 155 ? 0.73219 0.78830 0.80866 0.04287  0.01913  -0.17999 750 PHE A CE1 
896  C CE2 . PHE A 155 ? 0.61748 0.71273 0.71814 0.01121  0.07741  -0.15656 750 PHE A CE2 
897  C CZ  . PHE A 155 ? 0.68859 0.75996 0.74838 0.03567  0.05980  -0.16732 750 PHE A CZ  
898  N N   . LYS A 156 ? 0.47618 0.53538 0.62968 -0.02254 0.04710  -0.13009 751 LYS A N   
899  C CA  . LYS A 156 ? 0.52485 0.55788 0.64614 -0.03430 0.06263  -0.12321 751 LYS A CA  
900  C C   . LYS A 156 ? 0.59470 0.62463 0.68791 -0.03230 0.07711  -0.11860 751 LYS A C   
901  O O   . LYS A 156 ? 0.59021 0.60894 0.66165 -0.01942 0.07507  -0.11300 751 LYS A O   
902  C CB  . LYS A 156 ? 0.51418 0.50855 0.60432 -0.02628 0.06126  -0.11070 751 LYS A CB  
903  C CG  . LYS A 156 ? 0.53784 0.53066 0.64110 -0.01985 0.05022  -0.11150 751 LYS A CG  
904  C CD  . LYS A 156 ? 0.57011 0.55606 0.68574 -0.04102 0.03984  -0.12411 751 LYS A CD  
905  C CE  . LYS A 156 ? 0.59531 0.51806 0.66057 -0.04630 0.03125  -0.12132 751 LYS A CE  
906  N NZ  . LYS A 156 ? 0.56659 0.47787 0.65502 -0.07008 0.00886  -0.12798 751 LYS A NZ  
907  N N   . ALA A 157 ? 0.53551 0.57821 0.63447 -0.04414 0.09131  -0.11461 752 ALA A N   
908  C CA  . ALA A 157 ? 0.63076 0.67831 0.70373 -0.03760 0.11005  -0.10462 752 ALA A CA  
909  C C   . ALA A 157 ? 0.65184 0.66158 0.69325 -0.04606 0.11363  -0.08843 752 ALA A C   
910  O O   . ALA A 157 ? 0.67004 0.65026 0.71322 -0.06202 0.10455  -0.08178 752 ALA A O   
911  C CB  . ALA A 157 ? 0.59295 0.67938 0.69478 -0.04257 0.12999  -0.09226 752 ALA A CB  
912  N N   . THR A 158 ? 0.68675 0.68915 0.69295 -0.03267 0.12190  -0.08353 753 THR A N   
913  C CA  . THR A 158 ? 0.77433 0.74659 0.75053 -0.03863 0.12931  -0.06581 753 THR A CA  
914  C C   . THR A 158 ? 0.82075 0.81481 0.78063 -0.03108 0.15092  -0.05235 753 THR A C   
915  O O   . THR A 158 ? 0.83032 0.85187 0.78306 -0.01094 0.15821  -0.06138 753 THR A O   
916  C CB  . THR A 158 ? 0.74570 0.68719 0.69345 -0.02527 0.11944  -0.06591 753 THR A CB  
917  O OG1 . THR A 158 ? 0.73883 0.69405 0.67783 -0.00758 0.11312  -0.07258 753 THR A OG1 
918  C CG2 . THR A 158 ? 0.66588 0.59456 0.62706 -0.02136 0.10574  -0.07102 753 THR A CG2 
919  N N   . GLN A 159 ? 0.85859 0.83577 0.80573 -0.04204 0.16023  -0.02960 754 GLN A N   
920  C CA  . GLN A 159 ? 0.87429 0.87668 0.80814 -0.03327 0.18533  -0.00734 754 GLN A CA  
921  C C   . GLN A 159 ? 0.90872 0.88135 0.79218 -0.02269 0.18606  -0.00282 754 GLN A C   
922  O O   . GLN A 159 ? 0.92092 0.85370 0.78950 -0.02738 0.16971  -0.00856 754 GLN A O   
923  C CB  . GLN A 159 ? 0.87924 0.90018 0.86031 -0.05831 0.19590  0.02923  754 GLN A CB  
924  C CG  . GLN A 159 ? 0.85170 0.91587 0.89309 -0.06699 0.19980  0.03726  754 GLN A CG  
925  C CD  . GLN A 159 ? 0.83872 0.87122 0.90300 -0.08764 0.16737  0.01605  754 GLN A CD  
926  O OE1 . GLN A 159 ? 0.88081 0.86687 0.95099 -0.11131 0.14268  0.02345  754 GLN A OE1 
927  N NE2 . GLN A 159 ? 0.79193 0.84284 0.86263 -0.07510 0.16401  -0.01070 754 GLN A NE2 
928  N N   . ARG A 160 ? 0.92949 0.92365 0.78469 -0.00344 0.20789  0.01149  755 ARG A N   
929  C CA  . ARG A 160 ? 0.94099 0.91174 0.74723 0.00753  0.21100  0.02106  755 ARG A CA  
930  C C   . ARG A 160 ? 0.98032 0.95616 0.80537 -0.01253 0.22819  0.06034  755 ARG A C   
931  O O   . ARG A 160 ? 0.94794 0.95221 0.82672 -0.03160 0.23803  0.08560  755 ARG A O   
932  C CB  . ARG A 160 ? 1.00408 0.98530 0.75304 0.04775  0.22041  0.01294  755 ARG A CB  
933  C CG  . ARG A 160 ? 1.00791 0.96571 0.73189 0.06770  0.18824  -0.02465 755 ARG A CG  
934  C CD  . ARG A 160 ? 1.07790 1.02237 0.72401 0.11283  0.18717  -0.03498 755 ARG A CD  
935  N NE  . ARG A 160 ? 1.13460 1.04479 0.75896 0.13080  0.14296  -0.07028 755 ARG A NE  
936  C CZ  . ARG A 160 ? 1.21422 1.07425 0.77212 0.15816  0.10768  -0.08558 755 ARG A CZ  
937  N NH1 . ARG A 160 ? 1.21902 1.05872 0.71501 0.17526  0.11650  -0.07180 755 ARG A NH1 
938  N NH2 . ARG A 160 ? 1.23389 1.05922 0.78839 0.16853  0.05678  -0.11341 755 ARG A NH2 
939  N N   . THR A 161 ? 0.99241 0.94053 0.77946 -0.00912 0.22752  0.07002  756 THR A N   
940  C CA  . THR A 161 ? 0.98344 0.93168 0.78457 -0.02629 0.23994  0.10946  756 THR A CA  
941  C C   . THR A 161 ? 1.02566 0.98165 0.77046 0.00161  0.25878  0.12254  756 THR A C   
942  O O   . THR A 161 ? 1.04507 0.96456 0.74106 0.01449  0.24262  0.10301  756 THR A O   
943  C CB  . THR A 161 ? 0.98020 0.87113 0.78458 -0.04964 0.21481  0.10703  756 THR A CB  
944  O OG1 . THR A 161 ? 0.92650 0.80034 0.76800 -0.06900 0.19481  0.09517  756 THR A OG1 
945  C CG2 . THR A 161 ? 0.95556 0.83836 0.77132 -0.06653 0.22064  0.14750  756 THR A CG2 
946  N N   . GLU A 162 ? 1.01827 1.02245 0.77097 0.01386  0.29211  0.16046  757 GLU A N   
947  C CA  . GLU A 162 ? 1.04004 1.04864 0.72247 0.05084  0.31192  0.17162  757 GLU A CA  
948  C C   . GLU A 162 ? 1.04733 1.03709 0.72939 0.03266  0.31260  0.20354  757 GLU A C   
949  O O   . GLU A 162 ? 1.02827 1.00763 0.76935 -0.00634 0.30145  0.22401  757 GLU A O   
950  C CB  . GLU A 162 ? 1.09338 1.16556 0.77065 0.08723  0.35535  0.20268  757 GLU A CB  
951  N N   . GLY A 163 ? 1.11180 1.08777 0.72009 0.06336  0.31983  0.20581  758 GLY A N   
952  C CA  . GLY A 163 ? 1.12342 1.08815 0.72612 0.05209  0.32525  0.24037  758 GLY A CA  
953  C C   . GLY A 163 ? 1.14354 1.04766 0.74636 0.02524  0.29006  0.22092  758 GLY A C   
954  O O   . GLY A 163 ? 1.14859 1.03899 0.75590 0.01107  0.29132  0.24972  758 GLY A O   
955  N N   . VAL A 164 ? 1.12168 0.99241 0.72141 0.02192  0.26091  0.17811  759 VAL A N   
956  C CA  . VAL A 164 ? 1.18141 1.00243 0.78813 0.00417  0.23377  0.16589  759 VAL A CA  
957  C C   . VAL A 164 ? 1.19006 0.98139 0.75133 0.02500  0.21007  0.14346  759 VAL A C   
958  O O   . VAL A 164 ? 1.15989 0.91837 0.73151 0.01691  0.19147  0.14131  759 VAL A O   
959  C CB  . VAL A 164 ? 1.03580 0.84413 0.69035 -0.01638 0.21942  0.14806  759 VAL A CB  
960  C CG1 . VAL A 164 ? 1.07174 0.88451 0.77452 -0.04448 0.22465  0.17501  759 VAL A CG1 
961  C CG2 . VAL A 164 ? 0.97858 0.81119 0.63953 -0.00397 0.21603  0.11869  759 VAL A CG2 
962  N N   . SER A 165 ? 1.23959 1.03715 0.75087 0.05471  0.20645  0.13008  760 SER A N   
963  C CA  . SER A 165 ? 1.25304 1.01414 0.73190 0.07073  0.16803  0.10895  760 SER A CA  
964  C C   . SER A 165 ? 1.33722 1.06747 0.78328 0.07318  0.15695  0.12842  760 SER A C   
965  O O   . SER A 165 ? 1.35569 1.09415 0.77358 0.07690  0.18152  0.15290  760 SER A O   
966  C CB  . SER A 165 ? 1.29991 1.05756 0.72161 0.10612  0.15549  0.08432  760 SER A CB  
967  O OG  . SER A 165 ? 1.41922 1.15226 0.75902 0.13619  0.15154  0.09141  760 SER A OG  
968  N N   . THR A 166 ? 0.89507 1.28757 1.08912 -0.13057 -0.06112 -0.13864 761 THR A N   
969  C CA  . THR A 166 ? 0.91135 1.23965 1.05968 -0.12806 -0.05747 -0.12848 761 THR A CA  
970  C C   . THR A 166 ? 0.92434 1.22128 1.05368 -0.14055 -0.04773 -0.14649 761 THR A C   
971  O O   . THR A 166 ? 0.96145 1.20471 1.03283 -0.15719 -0.03442 -0.15319 761 THR A O   
972  C CB  . THR A 166 ? 0.91377 1.24301 1.08673 -0.10262 -0.07923 -0.09650 761 THR A CB  
973  O OG1 . THR A 166 ? 0.82147 1.19281 1.01166 -0.09469 -0.08732 -0.08006 761 THR A OG1 
974  C CG2 . THR A 166 ? 0.95237 1.22380 1.07966 -0.09639 -0.07663 -0.08650 761 THR A CG2 
975  N N   . THR A 167 ? 0.91804 1.24679 1.09224 -0.13196 -0.05694 -0.15577 762 THR A N   
976  C CA  . THR A 167 ? 0.91430 1.23073 1.07510 -0.14252 -0.04696 -0.17802 762 THR A CA  
977  C C   . THR A 167 ? 0.91387 1.22860 1.02726 -0.18006 -0.02029 -0.20153 762 THR A C   
978  O O   . THR A 167 ? 0.93373 1.20306 0.99868 -0.19877 -0.00865 -0.20726 762 THR A O   
979  C CB  . THR A 167 ? 0.92505 1.29454 1.14337 -0.12471 -0.06173 -0.19475 762 THR A CB  
980  O OG1 . THR A 167 ? 0.96445 1.32315 1.21865 -0.09539 -0.09286 -0.16965 762 THR A OG1 
981  C CG2 . THR A 167 ? 0.95243 1.32129 1.15736 -0.13230 -0.05089 -0.22174 762 THR A CG2 
982  N N   . ASP A 168 ? 0.89882 1.26322 1.02328 -0.19511 -0.01246 -0.21409 763 ASP A N   
983  C CA  . ASP A 168 ? 0.88300 1.25620 0.96462 -0.23792 0.00998  -0.23580 763 ASP A CA  
984  C C   . ASP A 168 ? 0.93355 1.22166 0.93518 -0.26155 0.01675  -0.22410 763 ASP A C   
985  O O   . ASP A 168 ? 0.85222 1.11768 0.79986 -0.30181 0.03089  -0.23645 763 ASP A O   
986  C CB  . ASP A 168 ? 0.88294 1.32881 0.99557 -0.24788 0.01341  -0.24910 763 ASP A CB  
987  C CG  . ASP A 168 ? 0.82102 1.34227 1.01152 -0.21592 -0.00135 -0.25953 763 ASP A CG  
988  O OD1 . ASP A 168 ? 0.86249 1.36517 1.08413 -0.18043 -0.02248 -0.24293 763 ASP A OD1 
989  O OD2 . ASP A 168 ? 0.85288 1.45054 1.07079 -0.22661 0.00505  -0.28430 763 ASP A OD2 
990  N N   . LEU A 169 ? 0.94031 1.18201 0.93000 -0.23723 0.00415  -0.20108 764 LEU A N   
991  C CA  . LEU A 169 ? 0.93693 1.09579 0.84892 -0.25043 0.00448  -0.19403 764 LEU A CA  
992  C C   . LEU A 169 ? 1.00418 1.08961 0.86990 -0.25122 0.00301  -0.18843 764 LEU A C   
993  O O   . LEU A 169 ? 1.06218 1.07450 0.85106 -0.27657 0.00455  -0.19097 764 LEU A O   
994  C CB  . LEU A 169 ? 0.97345 1.12344 0.89020 -0.21873 -0.00897 -0.17651 764 LEU A CB  
995  C CG  . LEU A 169 ? 0.93118 1.15017 0.89246 -0.21359 -0.01064 -0.17775 764 LEU A CG  
996  C CD1 . LEU A 169 ? 0.88438 1.09206 0.83831 -0.18328 -0.02313 -0.16083 764 LEU A CD1 
997  C CD2 . LEU A 169 ? 0.86066 1.09211 0.79417 -0.25442 0.00151  -0.19798 764 LEU A CD2 
998  N N   . ILE A 170 ? 0.95990 1.05573 0.86554 -0.22472 -0.00361 -0.17992 765 ILE A N   
999  C CA  . ILE A 170 ? 1.06214 1.09413 0.92518 -0.22932 -0.00367 -0.17727 765 ILE A CA  
1000 C C   . ILE A 170 ? 1.09559 1.13271 0.92787 -0.27325 0.01318  -0.19854 765 ILE A C   
1001 O O   . ILE A 170 ? 1.12765 1.09579 0.88953 -0.29941 0.01618  -0.19896 765 ILE A O   
1002 C CB  . ILE A 170 ? 0.96661 1.01166 0.88000 -0.19404 -0.01629 -0.16389 765 ILE A CB  
1003 N N   . VAL A 171 ? 1.00919 1.13275 0.89162 -0.28282 0.02283  -0.21696 766 VAL A N   
1004 C CA  . VAL A 171 ? 1.02130 1.17633 0.87890 -0.32780 0.04099  -0.23975 766 VAL A CA  
1005 C C   . VAL A 171 ? 1.07751 1.18417 0.85668 -0.37651 0.04745  -0.23944 766 VAL A C   
1006 O O   . VAL A 171 ? 1.10408 1.17959 0.82150 -0.42105 0.05612  -0.24506 766 VAL A O   
1007 C CB  . VAL A 171 ? 0.96076 1.23037 0.89055 -0.32248 0.04742  -0.26260 766 VAL A CB  
1008 C CG1 . VAL A 171 ? 0.95952 1.28329 0.86427 -0.37240 0.06820  -0.28807 766 VAL A CG1 
1009 C CG2 . VAL A 171 ? 0.94219 1.24242 0.93850 -0.27437 0.03354  -0.26408 766 VAL A CG2 
1010 N N   . ARG A 172 ? 1.06190 1.15845 0.83747 -0.37104 0.04057  -0.23226 767 ARG A N   
1011 C CA  . ARG A 172 ? 1.13513 1.17036 0.82872 -0.41501 0.03987  -0.23160 767 ARG A CA  
1012 C C   . ARG A 172 ? 1.21284 1.12405 0.82333 -0.41579 0.02606  -0.21743 767 ARG A C   
1013 O O   . ARG A 172 ? 1.35753 1.20293 0.88357 -0.46447 0.02409  -0.21844 767 ARG A O   
1014 C CB  . ARG A 172 ? 1.05248 1.10233 0.76005 -0.40318 0.03291  -0.22919 767 ARG A CB  
1015 C CG  . ARG A 172 ? 1.10237 1.07009 0.71685 -0.44337 0.02497  -0.22809 767 ARG A CG  
1016 C CD  . ARG A 172 ? 1.07395 1.04373 0.69628 -0.42280 0.01462  -0.22584 767 ARG A CD  
1017 N NE  . ARG A 172 ? 1.01312 1.09466 0.70764 -0.42676 0.02626  -0.23628 767 ARG A NE  
1018 C CZ  . ARG A 172 ? 0.99523 1.09967 0.70850 -0.41159 0.01992  -0.23577 767 ARG A CZ  
1019 N NH1 . ARG A 172 ? 1.02959 1.06112 0.69878 -0.38778 0.00303  -0.22726 767 ARG A NH1 
1020 N NH2 . ARG A 172 ? 0.94468 1.15051 0.72130 -0.41800 0.02943  -0.24613 767 ARG A NH2 
1021 N N   . ILE A 173 ? 1.20686 1.08454 0.83667 -0.36401 0.01350  -0.20353 768 ILE A N   
1022 C CA  . ILE A 173 ? 1.29034 1.05603 0.84547 -0.35748 -0.00182 -0.19248 768 ILE A CA  
1023 C C   . ILE A 173 ? 1.39577 1.13391 0.91497 -0.38990 0.00546  -0.19521 768 ILE A C   
1024 O O   . ILE A 173 ? 1.51541 1.15771 0.94440 -0.41947 -0.00425 -0.19155 768 ILE A O   
1025 C CB  . ILE A 173 ? 1.28960 1.04766 0.88225 -0.29469 -0.01566 -0.17774 768 ILE A CB  
1026 C CG1 . ILE A 173 ? 1.23076 1.03038 0.86051 -0.26484 -0.02165 -0.17480 768 ILE A CG1 
1027 C CG2 . ILE A 173 ? 1.42449 1.07206 0.94035 -0.28288 -0.03353 -0.16954 768 ILE A CG2 
1028 C CD1 . ILE A 173 ? 1.24661 1.02173 0.87959 -0.21198 -0.03891 -0.16082 768 ILE A CD1 
1029 N N   . LEU A 174 ? 1.31571 1.13392 0.90079 -0.38376 0.01956  -0.20235 769 LEU A N   
1030 C CA  . LEU A 174 ? 1.37446 1.17254 0.93079 -0.40584 0.02588  -0.20549 769 LEU A CA  
1031 C C   . LEU A 174 ? 1.47023 1.27699 0.96950 -0.47608 0.03952  -0.21761 769 LEU A C   
1032 O O   . LEU A 174 ? 1.56001 1.31235 0.99501 -0.50902 0.03946  -0.21500 769 LEU A O   
1033 C CB  . LEU A 174 ? 1.27372 1.15272 0.91533 -0.37272 0.03262  -0.21243 769 LEU A CB  
1034 C CG  . LEU A 174 ? 1.25196 1.10453 0.93119 -0.31499 0.01554  -0.19469 769 LEU A CG  
1035 C CD1 . LEU A 174 ? 1.20155 1.11147 0.94641 -0.29014 0.01645  -0.20112 769 LEU A CD1 
1036 C CD2 . LEU A 174 ? 1.28481 1.02686 0.89024 -0.31177 0.00179  -0.17920 769 LEU A CD2 
1037 N N   . LYS A 175 ? 1.46207 1.33902 0.98090 -0.50322 0.05015  -0.22943 770 LYS A N   
1038 C CA  . LYS A 175 ? 1.52419 1.42425 0.98995 -0.57673 0.06283  -0.23941 770 LYS A CA  
1039 C C   . LYS A 175 ? 1.66405 1.43755 1.01657 -0.61971 0.04451  -0.22456 770 LYS A C   
1040 O O   . LYS A 175 ? 1.74552 1.52766 1.05618 -0.67409 0.04743  -0.22495 770 LYS A O   
1041 C CB  . LYS A 175 ? 1.47475 1.49697 1.00038 -0.59067 0.07807  -0.25726 770 LYS A CB  
1042 N N   . ASN A 176 ? 1.70360 1.35949 1.00804 -0.58975 0.02302  -0.20904 771 ASN A N   
1043 C CA  . ASN A 176 ? 1.81233 1.33801 1.01096 -0.61312 0.00093  -0.18960 771 ASN A CA  
1044 C C   . ASN A 176 ? 1.86757 1.31423 1.01824 -0.60697 -0.00794 -0.17480 771 ASN A C   
1045 O O   . ASN A 176 ? 1.93707 1.27067 1.01015 -0.60477 -0.03109 -0.15434 771 ASN A O   
1046 C CB  . ASN A 176 ? 1.80614 1.25848 0.98630 -0.57121 -0.02416 -0.18593 771 ASN A CB  
1047 N N   . TYR A 177 ? 1.83934 1.34255 1.03312 -0.60231 0.00749  -0.18569 772 TYR A N   
1048 C CA  . TYR A 177 ? 1.89991 1.33283 1.05401 -0.59288 -0.00091 -0.17263 772 TYR A CA  
1049 C C   . TYR A 177 ? 1.89189 1.39431 1.04877 -0.63764 0.02245  -0.17958 772 TYR A C   
1050 O O   . TYR A 177 ? 1.84631 1.46515 1.04956 -0.66594 0.04551  -0.19954 772 TYR A O   
1051 C CB  . TYR A 177 ? 1.83547 1.25333 1.03812 -0.52662 -0.01093 -0.17679 772 TYR A CB  
1052 C CG  . TYR A 177 ? 1.86311 1.20838 1.05137 -0.47828 -0.03587 -0.16794 772 TYR A CG  
1053 C CD1 . TYR A 177 ? 1.90878 1.13449 1.02114 -0.46184 -0.06268 -0.15190 772 TYR A CD1 
1054 C CD2 . TYR A 177 ? 1.79801 1.21249 1.06103 -0.43874 -0.03181 -0.17172 772 TYR A CD2 
1055 C CE1 . TYR A 177 ? 1.92250 1.09077 1.01942 -0.41392 -0.08701 -0.15069 772 TYR A CE1 
1056 C CE2 . TYR A 177 ? 1.84800 1.21085 1.09866 -0.39364 -0.05325 -0.16616 772 TYR A CE2 
1057 C CZ  . TYR A 177 ? 1.91978 1.15790 1.08313 -0.38203 -0.08140 -0.15954 772 TYR A CZ  
1058 O OH  . TYR A 177 ? 1.99282 1.19093 1.14476 -0.33102 -0.10365 -0.15917 772 TYR A OH  
# 
