data_c25519_2n0b



#######################
#  Entry information  #
#######################

save_entry_information
   _Entry.Sf_category                   entry_information
   _Entry.Sf_framecode                  entry_information
   _Entry.ID                            c25519_2n0b
   _Entry.Title                       
;
NMR structure of Neuromedin C in aqueous solution.
;
   _Entry.Type                          macromolecule
   _Entry.Version_type                  original
   _Entry.Submission_date               2015-03-05
   _Entry.Accession_date                2015-03-05
   _Entry.Last_release_date             2015-10-12
   _Entry.Original_release_date         2015-10-12
   _Entry.Origination                   author
   _Entry.NMR_STAR_version              3.1.1.81
   _Entry.Original_NMR_STAR_version     3.1
   _Entry.Experimental_method           NMR
   _Entry.Experimental_method_subtype   SOLUTION
   _Entry.Details                       'This entry describes the solution structure of Neuromedin C in aqueous solution.'
   _Entry.BMRB_internal_directory_name  .

   loop_
      _Entry_author.Ordinal
      _Entry_author.Given_name
      _Entry_author.Family_name
      _Entry_author.First_initial
      _Entry_author.Middle_initials
      _Entry_author.Family_title
      _Entry_author.Entry_ID

     1   Miquel         Adrover     .   .   .   c25519_2n0b    
     2   Pilar          Sanchis     .   .   .   c25519_2n0b    
     3   Bartolome      Vilanova    .   .   .   c25519_2n0b    
     4   Kris           Pauwels     .   .   .   c25519_2n0b    
     5   Gabriel        Martorell   .   .   .   c25519_2n0b    
     6   'Juan Jesus'   Perez       .   .   .   c25519_2n0b    

   stop_

   loop_
      _SG_project.SG_project_ID
      _SG_project.Project_name
      _SG_project.Full_name_of_center
      _SG_project.Initial_of_center
      _SG_project.Entry_ID

     1   'not applicable'   'not applicable'   .   c25519_2n0b    

   stop_

   loop_
      _Struct_keywords.Keywords
      _Struct_keywords.Text
      _Struct_keywords.Entry_ID

     'Feeding regulation'                           .   c25519_2n0b    
     'Growth and differentiation of human tumors'   .   c25519_2n0b    
     Neuropeptide                                   .   c25519_2n0b    

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

     assigned_chemical_shifts   1   c25519_2n0b    
     heteronucl_NOEs            1   c25519_2n0b    
     heteronucl_T1_relaxation   1   c25519_2n0b    
     heteronucl_T2_relaxation   1   c25519_2n0b    

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

     '13C chemical shifts'   34   c25519_2n0b    
     '15N chemical shifts'   12   c25519_2n0b    
     '1H chemical shifts'    69   c25519_2n0b    
     'chemical shifts'       10   c25519_2n0b    

   stop_

   loop_
      _Release.Release_number
      _Release.Format_type
      _Release.Format_version
      _Release.Date
      _Release.Submission_date
      _Release.Type
      _Release.Author
      _Release.Detail
      _Release.Entry_ID

     1   .   .   2015-10-12   .   original   BMRB   .   c25519_2n0b    

   stop_

   loop_
      _Related_entries.Database_name
      _Related_entries.Database_accession_code
      _Related_entries.Relationship
      _Related_entries.Entry_ID

     BMRB   25520   'Neuromedin C in 10% TFE'                    c25519_2n0b    
     BMRB   25521   'Neuromedin C in 25% TFE'                    c25519_2n0b    
     BMRB   25522   'Neuromedin C in 40% TFE'                    c25519_2n0b    
     BMRB   25523   'Neuromedin C in 60% TFE'                    c25519_2n0b    
     BMRB   25524   'Neuromedin C in 90% TFE'                    c25519_2n0b    
     BMRB   25525   'Neuromedin C in presence of SDS micelles'   c25519_2n0b    
     PDB    1C98    'SOLUTION STRUCTURE OF NEUROMEDIN B'         c25519_2n0b    
     PDB    1C9A    'SOLUTION STRUCTURE OF NEUROMEDIN B'         c25519_2n0b    
     PDB    2N0B    'BMRB Entry Tracking System'                 c25519_2n0b    

   stop_

save_

###############
#  Citations  #
###############

save_entry_citation
   _Citation.Sf_category                 citations
   _Citation.Sf_framecode                entry_citation
   _Citation.Entry_ID                    c25519_2n0b
   _Citation.ID                          1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code           .
   _Citation.MEDLINE_UI_code             .
   _Citation.DOI                         .
   _Citation.PubMed_ID                   .
   _Citation.Full_citation               .
   _Citation.Title                     
;
Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism
;
   _Citation.Status                      published
   _Citation.Type                        journal
   _Citation.Journal_abbrev              'RSC ADV'
   _Citation.Journal_name_full           .
   _Citation.Journal_volume              5
   _Citation.Journal_issue               .
   _Citation.Journal_ASTM                .
   _Citation.Journal_ISSN                .
   _Citation.Journal_CSD                 .
   _Citation.Book_title                  .
   _Citation.Book_chapter_title          .
   _Citation.Book_volume                 .
   _Citation.Book_series                 .
   _Citation.Book_publisher              .
   _Citation.Book_publisher_city         .
   _Citation.Book_ISBN                   .
   _Citation.Conference_title            .
   _Citation.Conference_site             .
   _Citation.Conference_state_province   .
   _Citation.Conference_country          .
   _Citation.Conference_start_date       .
   _Citation.Conference_end_date         .
   _Citation.Conference_abstract_number  .
   _Citation.Thesis_institution          .
   _Citation.Thesis_institution_city     .
   _Citation.Thesis_institution_country  .
   _Citation.WWW_URL                     .
   _Citation.Page_first                  83074
   _Citation.Page_last                   83088
   _Citation.Year                        2015
   _Citation.Details                     .

   loop_
      _Citation_author.Ordinal
      _Citation_author.Given_name
      _Citation_author.Family_name
      _Citation_author.First_initial
      _Citation_author.Middle_initials
      _Citation_author.Family_title
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

     1   Miquel      Adrover     .   .   .   c25519_2n0b   1    
     2   Pilar       Sanchis     .   .   .   c25519_2n0b   1    
     3   Bartolome   Vilanova    .   .   .   c25519_2n0b   1    
     4   Kris        Pauwels     .   .   .   c25519_2n0b   1    
     5   Gabriel     Martorell   .   .   .   c25519_2n0b   1    
     6   J.          Perez       .   .   .   c25519_2n0b   1    

   stop_

save_

#############################################
#  Molecular system (assembly) description  #
#############################################

save_assembly
   _Assembly.Sf_category                      assembly
   _Assembly.Sf_framecode                     assembly
   _Assembly.Entry_ID                         c25519_2n0b
   _Assembly.ID                               1
   _Assembly.Name                             'Neuromedin C in water'
   _Assembly.BMRB_code                        .
   _Assembly.Number_of_components             1
   _Assembly.Organic_ligands                  .
   _Assembly.Metal_ions                       .
   _Assembly.Non_standard_bonds               no
   _Assembly.Ambiguous_conformational_states  .
   _Assembly.Ambiguous_chem_comp_sites        .
   _Assembly.Molecules_in_chemical_exchange   .
   _Assembly.Paramagnetic                     no
   _Assembly.Thiol_state                      .
   _Assembly.Molecular_mass                   .
   _Assembly.Enzyme_commission_number         .
   _Assembly.Details                          .
   _Assembly.DB_query_date                    .
   _Assembly.DB_query_revised_last_date       .

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

     1   'Neuromedin C'   1   $Neuromedin_C   A   .   yes   native   no   no   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Assembly_db_link.Author_supplied
      _Assembly_db_link.Database_code
      _Assembly_db_link.Accession_code
      _Assembly_db_link.Entry_mol_code
      _Assembly_db_link.Entry_mol_name
      _Assembly_db_link.Entry_experimental_method
      _Assembly_db_link.Entry_structure_resolution
      _Assembly_db_link.Entry_relation_type
      _Assembly_db_link.Entry_details
      _Assembly_db_link.Entry_ID
      _Assembly_db_link.Assembly_ID

     yes   PDB   2n0b   .   .   'solution NMR'   .   .   .   c25519_2n0b   1    

   stop_

save_

    ####################################
    #  Biological polymers and ligands #
    ####################################

save_Neuromedin_C
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     Neuromedin_C
   _Entity.Entry_ID                         c25519_2n0b
   _Entity.ID                               1
   _Entity.BMRB_code                        .
   _Entity.Name                             Neuromedin_C
   _Entity.Type                             polymer
   _Entity.Polymer_common_type              .
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_type_details             .
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code_can  .
   _Entity.Polymer_seq_one_letter_code    
;
GNHWAVGHLMX
;
   _Entity.Target_identifier                .
   _Entity.Polymer_author_defined_seq       .
   _Entity.Polymer_author_seq_details       .
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     no
   _Entity.Nstd_chirality                   no
   _Entity.Nstd_linkage                     no
   _Entity.Nonpolymer_comp_ID               .
   _Entity.Nonpolymer_comp_label            .
   _Entity.Number_of_monomers               11
   _Entity.Number_of_nonpolymer_components  .
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                       man
   _Entity.Parent_entity_ID                 .
   _Entity.Fragment                         .
   _Entity.Mutation                         .
   _Entity.EC_number                        .
   _Entity.Calc_isoelectric_point           .
   _Entity.Formula_weight                   1123.295
   _Entity.Formula_weight_exptl             .
   _Entity.Formula_weight_exptl_meth        .
   _Entity.Details                          .
   _Entity.DB_query_date                    .
   _Entity.DB_query_revised_last_date       .

   loop_
      _Entity_db_link.Ordinal
      _Entity_db_link.Author_supplied
      _Entity_db_link.Database_code
      _Entity_db_link.Accession_code
      _Entity_db_link.Entry_mol_code
      _Entity_db_link.Entry_mol_name
      _Entity_db_link.Entry_experimental_method
      _Entity_db_link.Entry_structure_resolution
      _Entity_db_link.Entry_relation_type
      _Entity_db_link.Entry_details
      _Entity_db_link.Chimera_segment_ID
      _Entity_db_link.Seq_query_to_submitted_percent
      _Entity_db_link.Seq_subject_length
      _Entity_db_link.Seq_identity
      _Entity_db_link.Seq_positive
      _Entity_db_link.Seq_homology_expectation_val
      _Entity_db_link.Seq_align_begin
      _Entity_db_link.Seq_align_end
      _Entity_db_link.Seq_difference_details
      _Entity_db_link.Seq_alignment_details
      _Entity_db_link.Entry_ID
      _Entity_db_link.Entity_ID

     .   yes   PDB   2n0b   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Entity_biological_function.Biological_function
      _Entity_biological_function.Entry_ID
      _Entity_biological_function.Entity_ID

     'Elicits gastrin release and regulates gastric acid secretion and enteric motor function.'   c25519_2n0b   1    
     'Mediates on neurotransmission and neuromodulation.'                                         c25519_2n0b   1    
     'Plays a central role in regulation of the neuroendocrine and autonomic systems'             c25519_2n0b   1    
     'Regulate growth and/or differentiation of different human tumors.'                          c25519_2n0b   1    

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

     1    1    GLY   .   c25519_2n0b   1    
     2    2    ASN   .   c25519_2n0b   1    
     3    3    HIS   .   c25519_2n0b   1    
     4    4    TRP   .   c25519_2n0b   1    
     5    5    ALA   .   c25519_2n0b   1    
     6    6    VAL   .   c25519_2n0b   1    
     7    7    GLY   .   c25519_2n0b   1    
     8    8    HIS   .   c25519_2n0b   1    
     9    9    LEU   .   c25519_2n0b   1    
     10   10   MET   .   c25519_2n0b   1    
     11   11   NH2   .   c25519_2n0b   1    

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

     .   GLY   1    1    c25519_2n0b   1    
     .   ASN   2    2    c25519_2n0b   1    
     .   HIS   3    3    c25519_2n0b   1    
     .   TRP   4    4    c25519_2n0b   1    
     .   ALA   5    5    c25519_2n0b   1    
     .   VAL   6    6    c25519_2n0b   1    
     .   GLY   7    7    c25519_2n0b   1    
     .   HIS   8    8    c25519_2n0b   1    
     .   LEU   9    9    c25519_2n0b   1    
     .   MET   10   10   c25519_2n0b   1    
     .   NH2   11   11   c25519_2n0b   1    

   stop_

save_

    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Entity_natural_src_list.Sf_category   natural_source
   _Entity_natural_src_list.Sf_framecode  natural_source
   _Entity_natural_src_list.Entry_ID      c25519_2n0b
   _Entity_natural_src_list.ID            1

   loop_
      _Entity_natural_src.ID
      _Entity_natural_src.Entity_ID
      _Entity_natural_src.Entity_label
      _Entity_natural_src.Entity_chimera_segment_ID
      _Entity_natural_src.NCBI_taxonomy_ID
      _Entity_natural_src.Type
      _Entity_natural_src.Common
      _Entity_natural_src.Organism_name_scientific
      _Entity_natural_src.Organism_name_common
      _Entity_natural_src.Organism_acronym
      _Entity_natural_src.ICTVdb_decimal_code
      _Entity_natural_src.Superkingdom
      _Entity_natural_src.Kingdom
      _Entity_natural_src.Genus
      _Entity_natural_src.Species
      _Entity_natural_src.Strain
      _Entity_natural_src.Variant
      _Entity_natural_src.Organ
      _Entity_natural_src.Tissue
      _Entity_natural_src.Tissue_fraction
      _Entity_natural_src.Cell_line
      _Entity_natural_src.Cell_type
      _Entity_natural_src.ATCC_number
      _Entity_natural_src.Organelle
      _Entity_natural_src.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Details
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

     1   1   $Neuromedin_C   .   9606   organism   .   'Homo sapiens'   Human   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    

   stop_

save_

    #########################
    #  Experimental source  #
    #########################

save_experimental_source
   _Entity_experimental_src_list.Sf_category   experimental_source
   _Entity_experimental_src_list.Sf_framecode  experimental_source
   _Entity_experimental_src_list.Entry_ID      c25519_2n0b
   _Entity_experimental_src_list.ID            1

   loop_
      _Entity_experimental_src.ID
      _Entity_experimental_src.Entity_ID
      _Entity_experimental_src.Entity_label
      _Entity_experimental_src.Entity_chimera_segment_ID
      _Entity_experimental_src.Production_method
      _Entity_experimental_src.Host_org_scientific_name
      _Entity_experimental_src.Host_org_name_common
      _Entity_experimental_src.Host_org_details
      _Entity_experimental_src.Host_org_NCBI_taxonomy_ID
      _Entity_experimental_src.Host_org_genus
      _Entity_experimental_src.Host_org_species
      _Entity_experimental_src.Host_org_strain
      _Entity_experimental_src.Host_org_variant
      _Entity_experimental_src.Host_org_ATCC_number
      _Entity_experimental_src.Vector_type
      _Entity_experimental_src.PDBview_host_org_vector_name
      _Entity_experimental_src.PDBview_plasmid_name
      _Entity_experimental_src.Vector_name
      _Entity_experimental_src.Vector_details
      _Entity_experimental_src.Vendor_name
      _Entity_experimental_src.Details
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

     1   1   $Neuromedin_C   .   'obtained from a vendor'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   'Neuromedin C was purchased from Holzel Diagnostika Handels GmbH'   c25519_2n0b   1    

   stop_

save_

    #################################
    #  Polymer residues and ligands #
    #################################

save_chem_comp_NH2
   _Chem_comp.Sf_category                      chem_comp
   _Chem_comp.Sf_framecode                     chem_comp_NH2
   _Chem_comp.Entry_ID                         c25519_2n0b
   _Chem_comp.ID                               NH2
   _Chem_comp.Provenance                       PDB
   _Chem_comp.Name                             'AMINO GROUP'
   _Chem_comp.Type                             NON-POLYMER
   _Chem_comp.BMRB_code                        NH2
   _Chem_comp.PDB_code                         NH2
   _Chem_comp.Ambiguous_flag                   yes
   _Chem_comp.Initial_date                     2012-11-20
   _Chem_comp.Modified_date                    2012-11-20
   _Chem_comp.Release_status                   REL
   _Chem_comp.Replaced_by                      .
   _Chem_comp.Replaces                         .
   _Chem_comp.One_letter_code                  .
   _Chem_comp.Three_letter_code                NH2
   _Chem_comp.Number_atoms_all                 3
   _Chem_comp.Number_atoms_nh                  1
   _Chem_comp.PubChem_code                     .
   _Chem_comp.Subcomponent_list                .
   _Chem_comp.InCHi_code                       InChI=1/H3N/h1H3
   _Chem_comp.Mon_nstd_flag                    .
   _Chem_comp.Mon_nstd_class                   .
   _Chem_comp.Mon_nstd_details                 .
   _Chem_comp.Mon_nstd_parent                  .
   _Chem_comp.Mon_nstd_parent_comp_ID          .
   _Chem_comp.Std_deriv_one_letter_code        .
   _Chem_comp.Std_deriv_three_letter_code      .
   _Chem_comp.Std_deriv_BMRB_code              .
   _Chem_comp.Std_deriv_PDB_code               .
   _Chem_comp.Std_deriv_chem_comp_name         .
   _Chem_comp.Synonyms                         .
   _Chem_comp.Formal_charge                    0
   _Chem_comp.Paramagnetic                     .
   _Chem_comp.Aromatic                         no
   _Chem_comp.Formula                          'H2 N'
   _Chem_comp.Formula_weight                   16.023
   _Chem_comp.Formula_mono_iso_wt_nat          .
   _Chem_comp.Formula_mono_iso_wt_13C          .
   _Chem_comp.Formula_mono_iso_wt_15N          .
   _Chem_comp.Formula_mono_iso_wt_13C_15N      .
   _Chem_comp.Image_file_name                  .
   _Chem_comp.Image_file_format                .
   _Chem_comp.Topo_file_name                   .
   _Chem_comp.Topo_file_format                 .
   _Chem_comp.Struct_file_name                 .
   _Chem_comp.Struct_file_format               .
   _Chem_comp.Stereochem_param_file_name       .
   _Chem_comp.Stereochem_param_file_format     .
   _Chem_comp.Model_details                    .
   _Chem_comp.Model_erf                        .
   _Chem_comp.Model_source                     .
   _Chem_comp.Model_coordinates_details        .
   _Chem_comp.Model_coordinates_missing_flag   no
   _Chem_comp.Ideal_coordinates_details        'OpenEye OEToolkits'
   _Chem_comp.Ideal_coordinates_missing_flag   no
   _Chem_comp.Model_coordinates_db_code        2FLY
   _Chem_comp.Processing_site                  RCSB
   _Chem_comp.Vendor                           .
   _Chem_comp.Vendor_product_code              .
   _Chem_comp.Details                          .
   _Chem_comp.DB_query_date                    .
   _Chem_comp.DB_last_query_revised_last_date  .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

     InChI=1/H3N/h1H3            InChI              InChI                  1.02b   c25519_2n0b   NH2    
     N                           SMILES             ACDLabs                10.04   c25519_2n0b   NH2    
     QGZKDVFQNNGYKY-UHFFFAOYAF   InChIKey           InChI                  1.02b   c25519_2n0b   NH2    
     [NH2]                       SMILES             CACTVS                 3.341   c25519_2n0b   NH2    
     [NH2]                       SMILES             'OpenEye OEToolkits'   1.5.0   c25519_2n0b   NH2    
     [NH2]                       SMILES_CANONICAL   CACTVS                 3.341   c25519_2n0b   NH2    
     [NH2]                       SMILES_CANONICAL   'OpenEye OEToolkits'   1.5.0   c25519_2n0b   NH2    

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

     ammonia       'SYSTEMATIC NAME'   ACDLabs                10.04   c25519_2n0b   NH2    
     l^{2}-azane   'SYSTEMATIC NAME'   'OpenEye OEToolkits'   1.5.0   c25519_2n0b   NH2    

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

     N     N     N     N     .   N   .   .   N   0   .   .   .   1   no   no   .   .   .   .   10.091   .   8.978   .   -7.810   .   0.000    0.000    0.000    1   .   c25519_2n0b   NH2    
     HN1   HN1   HN1   1HN   .   H   .   .   N   0   .   .   .   1   no   no   .   .   .   .   9.517    .   8.769   .   -7.044   .   -0.385   -0.545   -0.771   2   .   c25519_2n0b   NH2    
     HN2   HN2   HN2   2HN   .   H   .   .   N   0   .   .   .   1   no   no   .   .   .   .   10.323   .   9.890   .   -8.082   .   1.020    0.000    0.000    3   .   c25519_2n0b   NH2    

   stop_

   loop_
      _Chem_comp_bond.ID
      _Chem_comp_bond.Type
      _Chem_comp_bond.Value_order
      _Chem_comp_bond.Atom_ID_1
      _Chem_comp_bond.Atom_ID_2
      _Chem_comp_bond.Aromatic_flag
      _Chem_comp_bond.Stereo_config
      _Chem_comp_bond.Ordinal
      _Chem_comp_bond.Details
      _Chem_comp_bond.Entry_ID
      _Chem_comp_bond.Comp_ID

     1   .   SING   N   HN1   no   N   1   .   c25519_2n0b   NH2    
     2   .   SING   N   HN2   no   N   2   .   c25519_2n0b   NH2    

   stop_

save_

#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################

save_sample_1
   _Sample.Sf_category                     sample
   _Sample.Sf_framecode                    sample_1
   _Sample.Entry_ID                        c25519_2n0b
   _Sample.ID                              1
   _Sample.Type                            solution
   _Sample.Sub_type                        .
   _Sample.Details                         'The sample was prepared in 10mM acetate buffer at pH 4.0'
   _Sample.Aggregate_sample_number         .
   _Sample.Solvent_system                  '90% H2O/10% D2O'
   _Sample.Preparation_date                .
   _Sample.Preparation_expiration_date     .
   _Sample.Polycrystallization_protocol    .
   _Sample.Single_crystal_protocol         .
   _Sample.Crystal_grow_apparatus          .
   _Sample.Crystal_grow_atmosphere         .
   _Sample.Crystal_grow_details            .
   _Sample.Crystal_grow_method             .
   _Sample.Crystal_grow_method_cit_ID      .
   _Sample.Crystal_grow_pH                 .
   _Sample.Crystal_grow_pH_range           .
   _Sample.Crystal_grow_pressure           .
   _Sample.Crystal_grow_pressure_esd       .
   _Sample.Crystal_grow_seeding            .
   _Sample.Crystal_grow_seeding_cit_ID     .
   _Sample.Crystal_grow_temp               .
   _Sample.Crystal_grow_temp_details       .
   _Sample.Crystal_grow_temp_esd           .
   _Sample.Crystal_grow_time               .
   _Sample.Oriented_sample_prep_protocol   .
   _Sample.Lyophilization_cryo_protectant  .
   _Sample.Storage_protocol                .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

     1   'Neuromedin C'     'natural abundance'   .   .   1   $Neuromedin_C   .   .   5.0   .   .   mM   0.1   .   .   .   c25519_2n0b   1    
     2   'sodium acetate'   'natural abundance'   .   .   .   .               .   .   10    .   .   mM   0.1   .   .   .   c25519_2n0b   1    
     3   DSS                'natural abundance'   .   .   .   .               .   .   1.6   .   .   mM   0.1   .   .   .   c25519_2n0b   1    
     4   H2O                'natural abundance'   .   .   .   .               .   .   90    .   .   %    .     .   .   .   c25519_2n0b   1    
     5   D2O                'natural abundance'   .   .   .   .               .   .   10    .   .   %    .     .   .   .   c25519_2n0b   1    

   stop_

save_

#######################
#  Sample conditions  #
#######################

save_sample_conditions_1
   _Sample_condition_list.Sf_category   sample_conditions
   _Sample_condition_list.Sf_framecode  sample_conditions_1
   _Sample_condition_list.Entry_ID      c25519_2n0b
   _Sample_condition_list.ID            1
   _Sample_condition_list.Details       .

   loop_
      _Sample_condition_variable.Type
      _Sample_condition_variable.Val
      _Sample_condition_variable.Val_err
      _Sample_condition_variable.Val_units
      _Sample_condition_variable.Entry_ID
      _Sample_condition_variable.Sample_condition_list_ID

     'ionic strength'   0.01   .   M     c25519_2n0b   1    
     pH                 4.0    .   pH    c25519_2n0b   1    
     pressure           1      .   atm   c25519_2n0b   1    
     temperature        273    .   K     c25519_2n0b   1    

   stop_

save_

############################
#  Computer software used  #
############################

save_NMRPipe
   _Software.Sf_category   software
   _Software.Sf_framecode  NMRPipe
   _Software.Entry_ID      c25519_2n0b
   _Software.ID            1
   _Software.Name          NMRPipe
   _Software.Version       .
   _Software.Details       .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

     'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax'   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

     processing   c25519_2n0b   1    

   stop_

save_

save_XEASY
   _Software.Sf_category   software
   _Software.Sf_framecode  XEASY
   _Software.Entry_ID      c25519_2n0b
   _Software.ID            2
   _Software.Name          XEASY
   _Software.Version       .
   _Software.Details       .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

     'Bartels et al.'   .   .   c25519_2n0b   2    

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

     'chemical shift assignment'   c25519_2n0b   2    
     'peak picking'                c25519_2n0b   2    

   stop_

save_

save_CYANA
   _Software.Sf_category   software
   _Software.Sf_framecode  CYANA
   _Software.Entry_ID      c25519_2n0b
   _Software.ID            3
   _Software.Name          CYANA
   _Software.Version       .
   _Software.Details       .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

     'Guntert, Mumenthaler and Wuthrich'   .   .   c25519_2n0b   3    

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

     'geometry optimization'   c25519_2n0b   3    
     refinement                c25519_2n0b   3    
     'structure solution'      c25519_2n0b   3    

   stop_

save_

#########################
#  Experimental detail  #
#########################

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################

save_spectrometer_1
   _NMR_spectrometer.Sf_category     NMR_spectrometer
   _NMR_spectrometer.Sf_framecode    spectrometer_1
   _NMR_spectrometer.Entry_ID        c25519_2n0b
   _NMR_spectrometer.ID              1
   _NMR_spectrometer.Details         'Bruker Avance III spectrometer operating at 14.1T (600MHz) and equipped with a 5-mm 13C, 15N, 1H triple resonance cryoprobe.'
   _NMR_spectrometer.Manufacturer    Bruker
   _NMR_spectrometer.Model           Avance
   _NMR_spectrometer.Serial_number   .
   _NMR_spectrometer.Field_strength  600

save_

save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category   NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode  NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID      c25519_2n0b
   _NMR_spectrometer_list.ID            1

   loop_
      _NMR_spectrometer_view.ID
      _NMR_spectrometer_view.Name
      _NMR_spectrometer_view.Manufacturer
      _NMR_spectrometer_view.Model
      _NMR_spectrometer_view.Serial_number
      _NMR_spectrometer_view.Field_strength
      _NMR_spectrometer_view.Details
      _NMR_spectrometer_view.Citation_ID
      _NMR_spectrometer_view.Citation_label
      _NMR_spectrometer_view.Entry_ID
      _NMR_spectrometer_view.NMR_spectrometer_list_ID

     1   spectrometer_1   Bruker   Avance   .   600   'Bruker Avance III spectrometer operating at 14.1T (600MHz) and equipped with a 5-mm 13C, 15N, 1H triple resonance cryoprobe.'   .   .   c25519_2n0b   1    

   stop_

save_

    #############################
    #  NMR applied experiments  #
    #############################

save_experiment_list
   _Experiment_list.Sf_category   experiment_list
   _Experiment_list.Sf_framecode  experiment_list
   _Experiment_list.Entry_ID      c25519_2n0b
   _Experiment_list.ID            1
   _Experiment_list.Details       .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NMR_spec_expt_ID
      _Experiment.NMR_spec_expt_label
      _Experiment.MS_expt_ID
      _Experiment.MS_expt_label
      _Experiment.SAXS_expt_ID
      _Experiment.SAXS_expt_label
      _Experiment.FRET_expt_ID
      _Experiment.FRET_expt_label
      _Experiment.EMR_expt_ID
      _Experiment.EMR_expt_label
      _Experiment.Sample_ID
      _Experiment.Sample_label
      _Experiment.Sample_state
      _Experiment.Sample_volume
      _Experiment.Sample_volume_units
      _Experiment.Sample_condition_list_ID
      _Experiment.Sample_condition_list_label
      _Experiment.Sample_spinning_rate
      _Experiment.Sample_angle
      _Experiment.NMR_tube_type
      _Experiment.NMR_spectrometer_ID
      _Experiment.NMR_spectrometer_label
      _Experiment.NMR_spectrometer_probe_ID
      _Experiment.NMR_spectrometer_probe_label
      _Experiment.NMR_spectral_processing_ID
      _Experiment.NMR_spectral_processing_label
      _Experiment.Mass_spectrometer_ID
      _Experiment.Mass_spectrometer_label
      _Experiment.Xray_instrument_ID
      _Experiment.Xray_instrument_label
      _Experiment.Fluorescence_instrument_ID
      _Experiment.Fluorescence_instrument_label
      _Experiment.EMR_instrument_ID
      _Experiment.EMR_instrument_label
      _Experiment.Chromatographic_system_ID
      _Experiment.Chromatographic_system_label
      _Experiment.Chromatographic_column_ID
      _Experiment.Chromatographic_column_label
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

     1   '2D 1H-1H TOCSY'            no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     2   '2D 1H-1H NOESY'            no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     3   '2D 1H-15N HSQC'            no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     4   '2D 1H-13C HSQC'            no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     5   '2D 1H-13C HSQC aromatic'   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     6   '2D 15N-T1'                 no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     7   '2D 15N-T2'                 no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     8   '2D 15N-HET-NOE'            no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    

   stop_

save_

####################
#  NMR parameters  #
####################

    ##############################
    #  Assigned chemical shifts  #
    ##############################

	################################
	#  Chemical shift referencing  #
	################################

save_chemical_shift_reference_1
   _Chem_shift_reference.Sf_category   chem_shift_reference
   _Chem_shift_reference.Sf_framecode  chemical_shift_reference_1
   _Chem_shift_reference.Entry_ID      c25519_2n0b
   _Chem_shift_reference.ID            1
   _Chem_shift_reference.Details       .

   loop_
      _Chem_shift_ref.Atom_type
      _Chem_shift_ref.Atom_isotope_number
      _Chem_shift_ref.Mol_common_name
      _Chem_shift_ref.Atom_group
      _Chem_shift_ref.Concentration_val
      _Chem_shift_ref.Concentration_units
      _Chem_shift_ref.Solvent
      _Chem_shift_ref.Rank
      _Chem_shift_ref.Chem_shift_units
      _Chem_shift_ref.Chem_shift_val
      _Chem_shift_ref.Ref_method
      _Chem_shift_ref.Ref_type
      _Chem_shift_ref.Indirect_shift_ratio
      _Chem_shift_ref.External_ref_loc
      _Chem_shift_ref.External_ref_sample_geometry
      _Chem_shift_ref.External_ref_axis
      _Chem_shift_ref.Indirect_shift_ratio_cit_ID
      _Chem_shift_ref.Indirect_shift_ratio_cit_label
      _Chem_shift_ref.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Correction_val_cit_ID
      _Chem_shift_ref.Correction_val_cit_label
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

     C   13   DSS     'methyl carbons'   .   .   .   .   ppm   0   internal   direct     1.0           .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     H   1    DSS     'methyl protons'   .   .   .   .   ppm   0   internal   direct     1.0           .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     N   15   water   protons            .   .   .   .   ppm   0   internal   indirect   0.101329118   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    

   stop_

save_

     ###################################
     #  Assigned chemical shift lists  #
     ###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################

save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                     c25519_2n0b
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err            .
   _Assigned_chem_shift_list.Chem_shift_13C_err           .
   _Assigned_chem_shift_list.Chem_shift_15N_err           .
   _Assigned_chem_shift_list.Chem_shift_31P_err           .
   _Assigned_chem_shift_list.Chem_shift_2H_err            .
   _Assigned_chem_shift_list.Chem_shift_19F_err           .
   _Assigned_chem_shift_list.Error_derivation_method      .
   _Assigned_chem_shift_list.Details                      .
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

     1   '2D 1H-1H TOCSY'            .   .   .   c25519_2n0b   1    
     3   '2D 1H-15N HSQC'            .   .   .   c25519_2n0b   1    
     4   '2D 1H-13C HSQC'            .   .   .   c25519_2n0b   1    
     5   '2D 1H-13C HSQC aromatic'   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

     2   $XEASY   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

     1     .   1   1   1    1    GLY   HA2    H   1    3.804     0.010   .   2   .   .   .   A   1    GLY   HA2    .   c25519_2n0b   1    
     2     .   1   1   1    1    GLY   HA3    H   1    3.804     0.010   .   2   .   .   .   A   1    GLY   HA3    .   c25519_2n0b   1    
     3     .   1   1   1    1    GLY   CA     C   13   43.286    0.100   .   1   .   .   .   A   1    GLY   CA     .   c25519_2n0b   1    
     4     .   1   1   2    2    ASN   H      H   1    8.681     0.010   .   1   .   .   .   A   2    ASN   H      .   c25519_2n0b   1    
     5     .   1   1   2    2    ASN   HA     H   1    4.617     0.010   .   1   .   .   .   A   2    ASN   HA     .   c25519_2n0b   1    
     6     .   1   1   2    2    ASN   HB2    H   1    2.549     0.010   .   2   .   .   .   A   2    ASN   HB2    .   c25519_2n0b   1    
     7     .   1   1   2    2    ASN   HB3    H   1    2.498     0.010   .   2   .   .   .   A   2    ASN   HB3    .   c25519_2n0b   1    
     8     .   1   1   2    2    ASN   HD21   H   1    7.536     0.011   .   2   .   .   .   A   2    ASN   HD21   .   c25519_2n0b   1    
     9     .   1   1   2    2    ASN   HD22   H   1    6.934     0.010   .   2   .   .   .   A   2    ASN   HD22   .   c25519_2n0b   1    
     10    .   1   1   2    2    ASN   CA     C   13   53.095    0.100   .   1   .   .   .   A   2    ASN   CA     .   c25519_2n0b   1    
     11    .   1   1   2    2    ASN   CB     C   13   38.985    0.100   .   1   .   .   .   A   2    ASN   CB     .   c25519_2n0b   1    
     12    .   1   1   2    2    ASN   N      N   15   118.375   0.100   .   1   .   .   .   A   2    ASN   N      .   c25519_2n0b   1    
     13    .   1   1   2    2    ASN   ND2    N   15   113.295   0.100   .   1   .   .   .   A   2    ASN   ND2    .   c25519_2n0b   1    
     14    .   1   1   3    3    HIS   H      H   1    8.584     0.010   .   1   .   .   .   A   3    HIS   H      .   c25519_2n0b   1    
     15    .   1   1   3    3    HIS   HA     H   1    4.607     0.010   .   1   .   .   .   A   3    HIS   HA     .   c25519_2n0b   1    
     16    .   1   1   3    3    HIS   HB2    H   1    3.057     0.010   .   2   .   .   .   A   3    HIS   HB2    .   c25519_2n0b   1    
     17    .   1   1   3    3    HIS   HB3    H   1    3.111     0.010   .   2   .   .   .   A   3    HIS   HB3    .   c25519_2n0b   1    
     18    .   1   1   3    3    HIS   HD2    H   1    7.083     0.010   .   1   .   .   .   A   3    HIS   HD2    .   c25519_2n0b   1    
     19    .   1   1   3    3    HIS   HE1    H   1    8.419     0.010   .   1   .   .   .   A   3    HIS   HE1    .   c25519_2n0b   1    
     20    .   1   1   3    3    HIS   CA     C   13   55.634    0.100   .   1   .   .   .   A   3    HIS   CA     .   c25519_2n0b   1    
     21    .   1   1   3    3    HIS   CB     C   13   28.993    0.100   .   1   .   .   .   A   3    HIS   CB     .   c25519_2n0b   1    
     22    .   1   1   3    3    HIS   CD2    C   13   120.125   0.100   .   1   .   .   .   A   3    HIS   CD2    .   c25519_2n0b   1    
     23    .   1   1   3    3    HIS   CE1    C   13   136.611   0.100   .   1   .   .   .   A   3    HIS   CE1    .   c25519_2n0b   1    
     24    .   1   1   3    3    HIS   N      N   15   119.590   0.100   .   1   .   .   .   A   3    HIS   N      .   c25519_2n0b   1    
     25    .   1   1   4    4    TRP   H      H   1    8.171     0.010   .   1   .   .   .   A   4    TRP   H      .   c25519_2n0b   1    
     26    .   1   1   4    4    TRP   HA     H   1    4.667     0.010   .   1   .   .   .   A   4    TRP   HA     .   c25519_2n0b   1    
     27    .   1   1   4    4    TRP   HB2    H   1    3.250     0.010   .   2   .   .   .   A   4    TRP   HB2    .   c25519_2n0b   1    
     28    .   1   1   4    4    TRP   HB3    H   1    3.166     0.010   .   2   .   .   .   A   4    TRP   HB3    .   c25519_2n0b   1    
     29    .   1   1   4    4    TRP   HD1    H   1    7.206     0.010   .   1   .   .   .   A   4    TRP   HD1    .   c25519_2n0b   1    
     30    .   1   1   4    4    TRP   HE1    H   1    10.145    0.010   .   1   .   .   .   A   4    TRP   HE1    .   c25519_2n0b   1    
     31    .   1   1   4    4    TRP   HE3    H   1    7.555     0.010   .   1   .   .   .   A   4    TRP   HE3    .   c25519_2n0b   1    
     32    .   1   1   4    4    TRP   HZ2    H   1    7.474     0.010   .   1   .   .   .   A   4    TRP   HZ2    .   c25519_2n0b   1    
     33    .   1   1   4    4    TRP   HZ3    H   1    7.128     0.010   .   1   .   .   .   A   4    TRP   HZ3    .   c25519_2n0b   1    
     34    .   1   1   4    4    TRP   HH2    H   1    7.232     0.010   .   1   .   .   .   A   4    TRP   HH2    .   c25519_2n0b   1    
     35    .   1   1   4    4    TRP   CA     C   13   57.176    0.100   .   1   .   .   .   A   4    TRP   CA     .   c25519_2n0b   1    
     36    .   1   1   4    4    TRP   CB     C   13   29.948    0.100   .   1   .   .   .   A   4    TRP   CB     .   c25519_2n0b   1    
     37    .   1   1   4    4    TRP   CD1    C   13   127.286   0.100   .   1   .   .   .   A   4    TRP   CD1    .   c25519_2n0b   1    
     38    .   1   1   4    4    TRP   CE3    C   13   120.972   0.100   .   1   .   .   .   A   4    TRP   CE3    .   c25519_2n0b   1    
     39    .   1   1   4    4    TRP   CZ2    C   13   114.709   0.100   .   1   .   .   .   A   4    TRP   CZ2    .   c25519_2n0b   1    
     40    .   1   1   4    4    TRP   CZ3    C   13   122.148   0.100   .   1   .   .   .   A   4    TRP   CZ3    .   c25519_2n0b   1    
     41    .   1   1   4    4    TRP   CH2    C   13   124.938   0.100   .   1   .   .   .   A   4    TRP   CH2    .   c25519_2n0b   1    
     42    .   1   1   4    4    TRP   N      N   15   122.380   0.100   .   1   .   .   .   A   4    TRP   N      .   c25519_2n0b   1    
     43    .   1   1   4    4    TRP   NE1    N   15   129.249   0.100   .   1   .   .   .   A   4    TRP   NE1    .   c25519_2n0b   1    
     44    .   1   1   5    5    ALA   H      H   1    8.271     0.010   .   1   .   .   .   A   5    ALA   H      .   c25519_2n0b   1    
     45    .   1   1   5    5    ALA   HA     H   1    4.314     0.010   .   1   .   .   .   A   5    ALA   HA     .   c25519_2n0b   1    
     46    .   1   1   5    5    ALA   HB1    H   1    1.321     0.010   .   1   .   .   .   A   5    ALA   HB1    .   c25519_2n0b   1    
     47    .   1   1   5    5    ALA   HB2    H   1    1.321     0.010   .   1   .   .   .   A   5    ALA   HB2    .   c25519_2n0b   1    
     48    .   1   1   5    5    ALA   HB3    H   1    1.321     0.010   .   1   .   .   .   A   5    ALA   HB3    .   c25519_2n0b   1    
     49    .   1   1   5    5    ALA   CA     C   13   52.236    0.100   .   1   .   .   .   A   5    ALA   CA     .   c25519_2n0b   1    
     50    .   1   1   5    5    ALA   CB     C   13   19.605    0.100   .   1   .   .   .   A   5    ALA   CB     .   c25519_2n0b   1    
     51    .   1   1   5    5    ALA   N      N   15   125.787   0.100   .   1   .   .   .   A   5    ALA   N      .   c25519_2n0b   1    
     52    .   1   1   6    6    VAL   H      H   1    8.133     0.010   .   1   .   .   .   A   6    VAL   H      .   c25519_2n0b   1    
     53    .   1   1   6    6    VAL   HA     H   1    3.990     0.010   .   1   .   .   .   A   6    VAL   HA     .   c25519_2n0b   1    
     54    .   1   1   6    6    VAL   HB     H   1    2.047     0.010   .   1   .   .   .   A   6    VAL   HB     .   c25519_2n0b   1    
     55    .   1   1   6    6    VAL   HG11   H   1    0.975     0.010   .   2   .   .   .   A   6    VAL   HG11   .   c25519_2n0b   1    
     56    .   1   1   6    6    VAL   HG12   H   1    0.975     0.010   .   2   .   .   .   A   6    VAL   HG12   .   c25519_2n0b   1    
     57    .   1   1   6    6    VAL   HG13   H   1    0.975     0.010   .   2   .   .   .   A   6    VAL   HG13   .   c25519_2n0b   1    
     58    .   1   1   6    6    VAL   HG21   H   1    0.946     0.010   .   2   .   .   .   A   6    VAL   HG21   .   c25519_2n0b   1    
     59    .   1   1   6    6    VAL   HG22   H   1    0.946     0.010   .   2   .   .   .   A   6    VAL   HG22   .   c25519_2n0b   1    
     60    .   1   1   6    6    VAL   HG23   H   1    0.946     0.010   .   2   .   .   .   A   6    VAL   HG23   .   c25519_2n0b   1    
     61    .   1   1   6    6    VAL   CA     C   13   62.944    0.100   .   1   .   .   .   A   6    VAL   CA     .   c25519_2n0b   1    
     62    .   1   1   6    6    VAL   CB     C   13   32.564    0.100   .   1   .   .   .   A   6    VAL   CB     .   c25519_2n0b   1    
     63    .   1   1   6    6    VAL   CG1    C   13   20.864    0.100   .   1   .   .   .   A   6    VAL   CG1    .   c25519_2n0b   1    
     64    .   1   1   6    6    VAL   CG2    C   13   21.036    0.100   .   1   .   .   .   A   6    VAL   CG2    .   c25519_2n0b   1    
     65    .   1   1   6    6    VAL   N      N   15   119.815   0.100   .   1   .   .   .   A   6    VAL   N      .   c25519_2n0b   1    
     66    .   1   1   7    7    GLY   H      H   1    8.546     0.010   .   1   .   .   .   A   7    GLY   H      .   c25519_2n0b   1    
     67    .   1   1   7    7    GLY   HA2    H   1    3.900     0.010   .   2   .   .   .   A   7    GLY   HA2    .   c25519_2n0b   1    
     68    .   1   1   7    7    GLY   HA3    H   1    3.943     0.010   .   2   .   .   .   A   7    GLY   HA3    .   c25519_2n0b   1    
     69    .   1   1   7    7    GLY   CA     C   13   45.117    0.100   .   1   .   .   .   A   7    GLY   CA     .   c25519_2n0b   1    
     70    .   1   1   7    7    GLY   N      N   15   112.470   0.100   .   1   .   .   .   A   7    GLY   N      .   c25519_2n0b   1    
     71    .   1   1   8    8    HIS   H      H   1    8.316     0.011   .   1   .   .   .   A   8    HIS   H      .   c25519_2n0b   1    
     72    .   1   1   8    8    HIS   HA     H   1    4.617     0.010   .   1   .   .   .   A   8    HIS   HA     .   c25519_2n0b   1    
     73    .   1   1   8    8    HIS   HB2    H   1    3.222     0.010   .   2   .   .   .   A   8    HIS   HB2    .   c25519_2n0b   1    
     74    .   1   1   8    8    HIS   HB3    H   1    3.113     0.010   .   2   .   .   .   A   8    HIS   HB3    .   c25519_2n0b   1    
     75    .   1   1   8    8    HIS   HD2    H   1    7.145     0.010   .   1   .   .   .   A   8    HIS   HD2    .   c25519_2n0b   1    
     76    .   1   1   8    8    HIS   HE1    H   1    8.432     0.010   .   1   .   .   .   A   8    HIS   HE1    .   c25519_2n0b   1    
     77    .   1   1   8    8    HIS   CA     C   13   55.447    0.100   .   1   .   .   .   A   8    HIS   CA     .   c25519_2n0b   1    
     78    .   1   1   8    8    HIS   CB     C   13   29.234    0.100   .   1   .   .   .   A   8    HIS   CB     .   c25519_2n0b   1    
     79    .   1   1   8    8    HIS   CD2    C   13   120.181   0.100   .   1   .   .   .   A   8    HIS   CD2    .   c25519_2n0b   1    
     80    .   1   1   8    8    HIS   CE1    C   13   136.607   0.100   .   1   .   .   .   A   8    HIS   CE1    .   c25519_2n0b   1    
     81    .   1   1   8    8    HIS   N      N   15   118.586   0.100   .   1   .   .   .   A   8    HIS   N      .   c25519_2n0b   1    
     82    .   1   1   9    9    LEU   H      H   1    8.397     0.010   .   1   .   .   .   A   9    LEU   H      .   c25519_2n0b   1    
     83    .   1   1   9    9    LEU   HA     H   1    4.290     0.010   .   1   .   .   .   A   9    LEU   HA     .   c25519_2n0b   1    
     84    .   1   1   9    9    LEU   HB2    H   1    1.609     0.010   .   2   .   .   .   A   9    LEU   HB2    .   c25519_2n0b   1    
     85    .   1   1   9    9    LEU   HB3    H   1    1.532     0.010   .   2   .   .   .   A   9    LEU   HB3    .   c25519_2n0b   1    
     86    .   1   1   9    9    LEU   HG     H   1    1.538     0.010   .   1   .   .   .   A   9    LEU   HG     .   c25519_2n0b   1    
     87    .   1   1   9    9    LEU   HD11   H   1    0.890     0.010   .   2   .   .   .   A   9    LEU   HD11   .   c25519_2n0b   1    
     88    .   1   1   9    9    LEU   HD12   H   1    0.890     0.010   .   2   .   .   .   A   9    LEU   HD12   .   c25519_2n0b   1    
     89    .   1   1   9    9    LEU   HD13   H   1    0.890     0.010   .   2   .   .   .   A   9    LEU   HD13   .   c25519_2n0b   1    
     90    .   1   1   9    9    LEU   HD21   H   1    0.844     0.010   .   2   .   .   .   A   9    LEU   HD21   .   c25519_2n0b   1    
     91    .   1   1   9    9    LEU   HD22   H   1    0.844     0.010   .   2   .   .   .   A   9    LEU   HD22   .   c25519_2n0b   1    
     92    .   1   1   9    9    LEU   HD23   H   1    0.844     0.010   .   2   .   .   .   A   9    LEU   HD23   .   c25519_2n0b   1    
     93    .   1   1   9    9    LEU   CA     C   13   55.396    0.100   .   1   .   .   .   A   9    LEU   CA     .   c25519_2n0b   1    
     94    .   1   1   9    9    LEU   CB     C   13   42.197    0.100   .   1   .   .   .   A   9    LEU   CB     .   c25519_2n0b   1    
     95    .   1   1   9    9    LEU   CG     C   13   26.985    0.100   .   1   .   .   .   A   9    LEU   CG     .   c25519_2n0b   1    
     96    .   1   1   9    9    LEU   CD1    C   13   24.829    0.100   .   1   .   .   .   A   9    LEU   CD1    .   c25519_2n0b   1    
     97    .   1   1   9    9    LEU   CD2    C   13   23.475    0.100   .   1   .   .   .   A   9    LEU   CD2    .   c25519_2n0b   1    
     98    .   1   1   9    9    LEU   N      N   15   123.950   0.100   .   1   .   .   .   A   9    LEU   N      .   c25519_2n0b   1    
     99    .   1   1   10   10   MET   H      H   1    8.428     0.010   .   1   .   .   .   A   10   MET   H      .   c25519_2n0b   1    
     100   .   1   1   10   10   MET   HA     H   1    4.402     0.010   .   1   .   .   .   A   10   MET   HA     .   c25519_2n0b   1    
     101   .   1   1   10   10   MET   HB2    H   1    2.069     0.010   .   2   .   .   .   A   10   MET   HB2    .   c25519_2n0b   1    
     102   .   1   1   10   10   MET   HB3    H   1    1.965     0.010   .   2   .   .   .   A   10   MET   HB3    .   c25519_2n0b   1    
     103   .   1   1   10   10   MET   HG2    H   1    2.496     0.010   .   2   .   .   .   A   10   MET   HG2    .   c25519_2n0b   1    
     104   .   1   1   10   10   MET   HG3    H   1    2.591     0.010   .   2   .   .   .   A   10   MET   HG3    .   c25519_2n0b   1    
     105   .   1   1   10   10   MET   HE1    H   1    2.082     0.010   .   1   .   .   .   A   10   MET   HE1    .   c25519_2n0b   1    
     106   .   1   1   10   10   MET   HE2    H   1    2.082     0.010   .   1   .   .   .   A   10   MET   HE2    .   c25519_2n0b   1    
     107   .   1   1   10   10   MET   HE3    H   1    2.082     0.010   .   1   .   .   .   A   10   MET   HE3    .   c25519_2n0b   1    
     108   .   1   1   10   10   MET   CA     C   13   55.093    0.100   .   1   .   .   .   A   10   MET   CA     .   c25519_2n0b   1    
     109   .   1   1   10   10   MET   CB     C   13   32.799    0.100   .   1   .   .   .   A   10   MET   CB     .   c25519_2n0b   1    
     110   .   1   1   10   10   MET   CG     C   13   32.174    0.100   .   1   .   .   .   A   10   MET   CG     .   c25519_2n0b   1    
     111   .   1   1   10   10   MET   CE     C   13   16.801    0.100   .   1   .   .   .   A   10   MET   CE     .   c25519_2n0b   1    
     112   .   1   1   10   10   MET   N      N   15   121.757   0.100   .   1   .   .   .   A   10   MET   N      .   c25519_2n0b   1    
     113   .   1   1   11   11   NH2   HN1    H   1    7.548     0.010   .   2   .   .   .   .   11   NH2   HN1    .   c25519_2n0b   1    
     114   .   1   1   11   11   NH2   HN2    H   1    7.154     0.012   .   2   .   .   .   .   11   NH2   HN2    .   c25519_2n0b   1    
     115   .   1   1   11   11   NH2   N      N   15   108.266   0.100   .   1   .   .   .   .   11   NH2   N      .   c25519_2n0b   1    

   stop_

save_

    ##############################
    #  Heteronuclear NOE values  #
    ##############################

save_heteronuclear_noe_list_1
   _Heteronucl_NOE_list.Sf_category                  heteronucl_NOEs
   _Heteronucl_NOE_list.Sf_framecode                 heteronuclear_noe_list_1
   _Heteronucl_NOE_list.Entry_ID                     c25519_2n0b
   _Heteronucl_NOE_list.ID                           1
   _Heteronucl_NOE_list.Sample_condition_list_ID     1
   _Heteronucl_NOE_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_NOE_list.Spectrometer_frequency_1H    600
   _Heteronucl_NOE_list.Heteronuclear_NOE_val_type   'peak height'
   _Heteronucl_NOE_list.NOE_ref_val                  1000
   _Heteronucl_NOE_list.NOE_ref_description          .
   _Heteronucl_NOE_list.Details                      .
   _Heteronucl_NOE_list.Text_data_format             .
   _Heteronucl_NOE_list.Text_data                    .

   loop_
      _Heteronucl_NOE_experiment.Experiment_ID
      _Heteronucl_NOE_experiment.Experiment_name
      _Heteronucl_NOE_experiment.Sample_ID
      _Heteronucl_NOE_experiment.Sample_label
      _Heteronucl_NOE_experiment.Sample_state
      _Heteronucl_NOE_experiment.Entry_ID
      _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID

     8   '2D 15N-HET-NOE'   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Heteronucl_NOE_software.Software_ID
      _Heteronucl_NOE_software.Software_label
      _Heteronucl_NOE_software.Method_ID
      _Heteronucl_NOE_software.Method_label
      _Heteronucl_NOE_software.Entry_ID
      _Heteronucl_NOE_software.Heteronucl_NOE_list_ID

     1   $NMRPipe   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Heteronucl_NOE.ID
      _Heteronucl_NOE.Assembly_atom_ID_1
      _Heteronucl_NOE.Entity_assembly_ID_1
      _Heteronucl_NOE.Entity_ID_1
      _Heteronucl_NOE.Comp_index_ID_1
      _Heteronucl_NOE.Seq_ID_1
      _Heteronucl_NOE.Comp_ID_1
      _Heteronucl_NOE.Atom_ID_1
      _Heteronucl_NOE.Atom_type_1
      _Heteronucl_NOE.Atom_isotope_number_1
      _Heteronucl_NOE.Assembly_atom_ID_2
      _Heteronucl_NOE.Entity_assembly_ID_2
      _Heteronucl_NOE.Entity_ID_2
      _Heteronucl_NOE.Comp_index_ID_2
      _Heteronucl_NOE.Seq_ID_2
      _Heteronucl_NOE.Comp_ID_2
      _Heteronucl_NOE.Atom_ID_2
      _Heteronucl_NOE.Atom_type_2
      _Heteronucl_NOE.Atom_isotope_number_2
      _Heteronucl_NOE.Val
      _Heteronucl_NOE.Val_err
      _Heteronucl_NOE.Resonance_ID_1
      _Heteronucl_NOE.Resonance_ID_2
      _Heteronucl_NOE.Auth_entity_assembly_ID_1
      _Heteronucl_NOE.Auth_seq_ID_1
      _Heteronucl_NOE.Auth_comp_ID_1
      _Heteronucl_NOE.Auth_atom_ID_1
      _Heteronucl_NOE.Auth_entity_assembly_ID_2
      _Heteronucl_NOE.Auth_seq_ID_2
      _Heteronucl_NOE.Auth_comp_ID_2
      _Heteronucl_NOE.Auth_atom_ID_2
      _Heteronucl_NOE.Entry_ID
      _Heteronucl_NOE.Heteronucl_NOE_list_ID

     1    .   1   1   2    2    ASN   N     N   .   .   1   1   2    2    ASN   H     H   .   -1.665   0.255   .   .   .   2    ASN   N     .   2    ASN   H     c25519_2n0b   1    
     2    .   1   1   3    3    HIS   N     N   .   .   1   1   3    3    HIS   H     H   .   -1.534   0.130   .   .   .   3    HIS   N     .   3    HIS   H     c25519_2n0b   1    
     3    .   1   1   4    4    TRP   N     N   .   .   1   1   4    4    TRP   H     H   .   -1.210   0.058   .   .   .   4    TRP   N     .   4    TRP   H     c25519_2n0b   1    
     4    .   1   1   4    4    TRP   NE1   N   .   .   1   1   4    4    TRP   HE1   H   .   0.269    0.026   .   .   .   4    TRP   NE1   .   4    TRP   HE1   c25519_2n0b   1    
     5    .   1   1   5    5    ALA   N     N   .   .   1   1   5    5    ALA   H     H   .   -0.536   0.038   .   .   .   5    ALA   N     .   5    ALA   H     c25519_2n0b   1    
     6    .   1   1   6    6    VAL   N     N   .   .   1   1   6    6    VAL   H     H   .   -0.983   0.051   .   .   .   6    VAL   N     .   6    VAL   H     c25519_2n0b   1    
     7    .   1   1   7    7    GLY   N     N   .   .   1   1   7    7    GLY   H     H   .   -0.892   0.049   .   .   .   7    GLY   N     .   7    GLY   H     c25519_2n0b   1    
     8    .   1   1   8    8    HIS   N     N   .   .   1   1   8    8    HIS   H     H   .   -0.754   0.053   .   .   .   8    HIS   N     .   8    HIS   H     c25519_2n0b   1    
     9    .   1   1   9    9    LEU   N     N   .   .   1   1   9    9    LEU   H     H   .   -1.018   0.055   .   .   .   9    LEU   N     .   9    LEU   H     c25519_2n0b   1    
     10   .   1   1   10   10   MET   N     N   .   .   1   1   10   10   MET   H     H   .   -1.469   0.063   .   .   .   10   MET   N     .   10   MET   H     c25519_2n0b   1    

   stop_

save_

    ########################################
    #  Heteronuclear T1 relaxation values  #
    ########################################

save_heteronuclear_T1_list_1
   _Heteronucl_T1_list.Sf_category                  heteronucl_T1_relaxation
   _Heteronucl_T1_list.Sf_framecode                 heteronuclear_T1_list_1
   _Heteronucl_T1_list.Entry_ID                     c25519_2n0b
   _Heteronucl_T1_list.ID                           1
   _Heteronucl_T1_list.Sample_condition_list_ID     1
   _Heteronucl_T1_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T1_list.Spectrometer_frequency_1H    600
   _Heteronucl_T1_list.T1_coherence_type            Iz
   _Heteronucl_T1_list.T1_val_units                 s-1
   _Heteronucl_T1_list.Details                      .
   _Heteronucl_T1_list.Text_data_format             .
   _Heteronucl_T1_list.Text_data                    .

   loop_
      _Heteronucl_T1_experiment.Experiment_ID
      _Heteronucl_T1_experiment.Experiment_name
      _Heteronucl_T1_experiment.Sample_ID
      _Heteronucl_T1_experiment.Sample_label
      _Heteronucl_T1_experiment.Sample_state
      _Heteronucl_T1_experiment.Entry_ID
      _Heteronucl_T1_experiment.Heteronucl_T1_list_ID

     6   '2D 15N-T1'   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Heteronucl_T1_software.Software_ID
      _Heteronucl_T1_software.Software_label
      _Heteronucl_T1_software.Method_ID
      _Heteronucl_T1_software.Method_label
      _Heteronucl_T1_software.Entry_ID
      _Heteronucl_T1_software.Heteronucl_T1_list_ID

     1   $NMRPipe   .   .   c25519_2n0b   1    

   stop_

   loop_
      _T1.ID
      _T1.Assembly_atom_ID
      _T1.Entity_assembly_ID
      _T1.Entity_ID
      _T1.Comp_index_ID
      _T1.Seq_ID
      _T1.Comp_ID
      _T1.Atom_ID
      _T1.Atom_type
      _T1.Atom_isotope_number
      _T1.Val
      _T1.Val_err
      _T1.Resonance_ID
      _T1.Auth_entity_assembly_ID
      _T1.Auth_seq_ID
      _T1.Auth_comp_ID
      _T1.Auth_atom_ID
      _T1.Entry_ID
      _T1.Heteronucl_T1_list_ID

     1    .   1   1   2    2    ASN   N     N   15   1.164   0.342   .   .   2    ASN   N     c25519_2n0b   1    
     2    .   1   1   3    3    HIS   N     N   15   0.877   0.087   .   .   3    HIS   N     c25519_2n0b   1    
     3    .   1   1   4    4    TRP   N     N   15   0.857   0.149   .   .   4    TRP   N     c25519_2n0b   1    
     4    .   1   1   4    4    TRP   NE1   N   15   1.105   0.085   .   .   4    TRP   NE1   c25519_2n0b   1    
     5    .   1   1   5    5    ALA   N     N   15   0.853   0.110   .   .   5    ALA   N     c25519_2n0b   1    
     6    .   1   1   6    6    VAL   N     N   15   0.931   0.126   .   .   6    VAL   N     c25519_2n0b   1    
     7    .   1   1   7    7    GLY   N     N   15   0.855   0.093   .   .   7    GLY   N     c25519_2n0b   1    
     8    .   1   1   8    8    HIS   N     N   15   0.933   0.188   .   .   8    HIS   N     c25519_2n0b   1    
     9    .   1   1   9    9    LEU   N     N   15   1.082   0.131   .   .   9    LEU   N     c25519_2n0b   1    
     10   .   1   1   10   10   MET   N     N   15   0.949   0.100   .   .   10   MET   N     c25519_2n0b   1    

   stop_

save_

    ########################################
    #  Heteronuclear T2 relaxation values  #
    ########################################

save_heteronuclear_T2_list_1
   _Heteronucl_T2_list.Sf_category                  heteronucl_T2_relaxation
   _Heteronucl_T2_list.Sf_framecode                 heteronuclear_T2_list_1
   _Heteronucl_T2_list.Entry_ID                     c25519_2n0b
   _Heteronucl_T2_list.ID                           1
   _Heteronucl_T2_list.Sample_condition_list_ID     1
   _Heteronucl_T2_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T2_list.Temp_calibration_method      methanol
   _Heteronucl_T2_list.Temp_control_method          'temperature compensation block'
   _Heteronucl_T2_list.Spectrometer_frequency_1H    600
   _Heteronucl_T2_list.T2_coherence_type            I(+,-)
   _Heteronucl_T2_list.T2_val_units                 s-1
   _Heteronucl_T2_list.Rex_units                    .
   _Heteronucl_T2_list.Details                      .
   _Heteronucl_T2_list.Text_data_format             .
   _Heteronucl_T2_list.Text_data                    .

   loop_
      _Heteronucl_T2_experiment.Experiment_ID
      _Heteronucl_T2_experiment.Experiment_name
      _Heteronucl_T2_experiment.Sample_ID
      _Heteronucl_T2_experiment.Sample_label
      _Heteronucl_T2_experiment.Sample_state
      _Heteronucl_T2_experiment.Entry_ID
      _Heteronucl_T2_experiment.Heteronucl_T2_list_ID

     7   '2D 15N-T2'   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Heteronucl_T2_software.Software_ID
      _Heteronucl_T2_software.Software_label
      _Heteronucl_T2_software.Method_ID
      _Heteronucl_T2_software.Method_label
      _Heteronucl_T2_software.Entry_ID
      _Heteronucl_T2_software.Heteronucl_T2_list_ID

     1   $NMRPipe   .   .   c25519_2n0b   1    

   stop_

   loop_
      _T2.ID
      _T2.Assembly_atom_ID
      _T2.Entity_assembly_ID
      _T2.Entity_ID
      _T2.Comp_index_ID
      _T2.Seq_ID
      _T2.Comp_ID
      _T2.Atom_ID
      _T2.Atom_type
      _T2.Atom_isotope_number
      _T2.T2_val
      _T2.T2_val_err
      _T2.Rex_val
      _T2.Rex_err
      _T2.Resonance_ID
      _T2.Auth_entity_assembly_ID
      _T2.Auth_seq_ID
      _T2.Auth_comp_ID
      _T2.Auth_atom_ID
      _T2.Entry_ID
      _T2.Heteronucl_T2_list_ID

     1    .   1   1   2    2    ASN   N     N   15   1.251   0.070   .   .   .   .   2    ASN   N     c25519_2n0b   1    
     2    .   1   1   3    3    HIS   N     N   15   0.819   0.180   .   .   .   .   3    HIS   N     c25519_2n0b   1    
     3    .   1   1   4    4    TRP   N     N   15   0.748   0.094   .   .   .   .   4    TRP   N     c25519_2n0b   1    
     4    .   1   1   4    4    TRP   NE1   N   15   0.981   0.072   .   .   .   .   4    TRP   NE1   c25519_2n0b   1    
     5    .   1   1   5    5    ALA   N     N   15   0.725   0.032   .   .   .   .   5    ALA   N     c25519_2n0b   1    
     6    .   1   1   6    6    VAL   N     N   15   0.799   0.085   .   .   .   .   6    VAL   N     c25519_2n0b   1    
     7    .   1   1   7    7    GLY   N     N   15   0.740   0.027   .   .   .   .   7    GLY   N     c25519_2n0b   1    
     8    .   1   1   8    8    HIS   N     N   15   0.785   0.075   .   .   .   .   8    HIS   N     c25519_2n0b   1    
     9    .   1   1   9    9    LEU   N     N   15   0.934   0.106   .   .   .   .   9    LEU   N     c25519_2n0b   1    
     10   .   1   1   10   10   MET   N     N   15   0.793   0.148   .   .   .   .   10   MET   N     c25519_2n0b   1    

   stop_

save_


##############################
#  Structure determinations  #
##############################

    ##########################
    #  Conformer statistics  #
    ##########################

save_conformer_statistics
   _Conformer_stat_list.Sf_category                    conformer_statistics
   _Conformer_stat_list.Sf_framecode                   conformer_statistics
   _Conformer_stat_list.Entry_ID                       c25519_2n0b
   _Conformer_stat_list.ID                             1
   _Conformer_stat_list.Conf_family_coord_set_ID       1
   _Conformer_stat_list.Conf_family_coord_set_label    $Original_constraints_and_structures
   _Conformer_stat_list.Conformer_submitted_total_num  18

save_

    #####################################
    #  Conformer family coordinate set  #
    #####################################

save_ensemble_of_conformers
   _Conformer_family_coord_set.Sf_category   conformer_family_coord_set
   _Conformer_family_coord_set.Sf_framecode  ensemble_of_conformers
   _Conformer_family_coord_set.Entry_ID      c25519_2n0b
   _Conformer_family_coord_set.ID            1

   loop_
      _Conformer_family_refinement.Refine_method
      _Conformer_family_refinement.Refine_details
      _Conformer_family_refinement.Software_ID
      _Conformer_family_refinement.Software_label
      _Conformer_family_refinement.Entry_ID
      _Conformer_family_refinement.Conformer_family_coord_set_ID

     1   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Conformer_family_software.Software_ID
      _Conformer_family_software.Software_label
      _Conformer_family_software.Method_ID
      _Conformer_family_software.Method_label
      _Conformer_family_software.Entry_ID
      _Conformer_family_software.Conformer_family_coord_set_ID

     .   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Atom_site.Assembly_ID
      _Atom_site.Model_ID
      _Atom_site.Model_site_ID
      _Atom_site.ID
      _Atom_site.Assembly_atom_ID
      _Atom_site.Label_entity_assembly_ID
      _Atom_site.Label_entity_ID
      _Atom_site.Label_comp_index_ID
      _Atom_site.Label_comp_ID
      _Atom_site.Label_atom_ID
      _Atom_site.Type_symbol
      _Atom_site.Cartn_x
      _Atom_site.Cartn_y
      _Atom_site.Cartn_z
      _Atom_site.Cartn_x_esd
      _Atom_site.Cartn_y_esd
      _Atom_site.Cartn_z_esd
      _Atom_site.Occupancy
      _Atom_site.Occupancy_esd
      _Atom_site.Uncertainty
      _Atom_site.Ordered_flag
      _Atom_site.Footnote_ID
      _Atom_site.PDBX_label_asym_ID
      _Atom_site.PDBX_label_seq_ID
      _Atom_site.PDBX_label_comp_ID
      _Atom_site.PDBX_label_atom_ID
      _Atom_site.PDBX_formal_charge
      _Atom_site.PDBX_label_entity_ID
      _Atom_site.PDB_record_ID
      _Atom_site.PDB_model_num
      _Atom_site.PDB_strand_ID
      _Atom_site.PDB_ins_code
      _Atom_site.PDB_residue_no
      _Atom_site.PDB_residue_name
      _Atom_site.PDB_atom_name
      _Atom_site.Auth_entity_assembly_ID
      _Atom_site.Auth_asym_ID
      _Atom_site.Auth_chain_ID
      _Atom_site.Auth_seq_ID
      _Atom_site.Auth_comp_ID
      _Atom_site.Auth_atom_ID
      _Atom_site.Auth_alt_ID
      _Atom_site.Auth_atom_name
      _Atom_site.Details
      _Atom_site.Entry_ID
      _Atom_site.Conformer_family_coord_set_ID

     .   1    .   1      .   1   1   1    GLY   C      C   11.136    2.111    6.305    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   2      .   1   1   1    GLY   CA     C   11.920    2.065    7.600    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   3      .   1   1   1    GLY   H1     H   11.807    1.289    9.469    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   4      .   1   1   1    GLY   H2     H   10.346    1.702    8.824    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   5      .   1   1   1    GLY   H3     H   11.122    0.341    8.306    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   6      .   1   1   1    GLY   HA2    H   12.056    3.083    7.962    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   7      .   1   1   1    GLY   HA3    H   12.898    1.624    7.406    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   8      .   1   1   1    GLY   N      N   11.248    1.290    8.628    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   9      .   1   1   1    GLY   O      O   10.666    3.171    5.894    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   10     .   1   1   2    ASN   C      C   8.885     0.253    4.611    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   11     .   1   1   2    ASN   CA     C   10.264    0.872    4.398    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   12     .   1   1   2    ASN   CB     C   11.054    0.048    3.381    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   13     .   1   1   2    ASN   CG     C   10.727    0.426    1.950    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   14     .   1   1   2    ASN   H      H   11.405    0.121    6.047    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   15     .   1   1   2    ASN   HA     H   10.135    1.880    4.002    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   16     .   1   1   2    ASN   HB2    H   12.118    0.210    3.551    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   17     .   1   1   2    ASN   HB3    H   10.828    -1.008   3.529    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   18     .   1   1   2    ASN   HD21   H   12.112    -0.884   1.250    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   19     .   1   1   2    ASN   HD22   H   11.239    0.013    0.028    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   20     .   1   1   2    ASN   N      N   10.995    0.958    5.657    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   21     .   1   1   2    ASN   ND2    N   11.414    -0.198   1.000    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   22     .   1   1   2    ASN   O      O   8.735     -0.714   5.360    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   23     .   1   1   2    ASN   OD1    O   9.866     1.270    1.701    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   24     .   1   1   3    HIS   C      C   6.193     -0.651   2.930    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   25     .   1   1   3    HIS   CA     C   6.514     0.320    4.062    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   26     .   1   1   3    HIS   CB     C   5.523     1.486    4.049    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   27     .   1   1   3    HIS   CD2    C   5.433     3.700    5.403    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   28     .   1   1   3    HIS   CE1    C   5.910     2.868    7.371    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   29     .   1   1   3    HIS   CG     C   5.612     2.357    5.273    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   30     .   1   1   3    HIS   H      H   8.069     1.608    3.348    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   31     .   1   1   3    HIS   HA     H   6.416     -0.209   5.011    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   32     .   1   1   3    HIS   HB2    H   5.713     2.099    3.168    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   33     .   1   1   3    HIS   HB3    H   4.513     1.081    3.985    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   34     .   1   1   3    HIS   HD2    H   5.188     4.394    4.612    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   35     .   1   1   3    HIS   HE1    H   6.110     2.788    8.429    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   36     .   1   1   3    HIS   HE2    H   5.563     4.926    7.155    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   37     .   1   1   3    HIS   N      N   7.881     0.817    3.947    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   38     .   1   1   3    HIS   ND1    N   5.912     1.847    6.525    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   39     .   1   1   3    HIS   NE2    N   5.626     4.009    6.737    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   40     .   1   1   3    HIS   O      O   5.850     -0.236   1.822    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   41     .   1   1   4    TRP   C      C   4.580     -2.890   1.742    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   42     .   1   1   4    TRP   CA     C   6.025     -2.973   2.220    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   43     .   1   1   4    TRP   CB     C   6.307     -4.360   2.800    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   44     .   1   1   4    TRP   CD1    C   8.466     -5.726   2.619    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   45     .   1   1   4    TRP   CD2    C   7.483     -5.295   0.654    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   46     .   1   1   4    TRP   CE2    C   8.650     -6.046   0.416    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   47     .   1   1   4    TRP   CE3    C   6.698     -4.907   -0.435   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   48     .   1   1   4    TRP   CG     C   7.384     -5.101   2.069    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   49     .   1   1   4    TRP   CH2    C   8.263     -6.024   -1.913   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   50     .   1   1   4    TRP   CZ2    C   9.050     -6.416   -0.864   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   51     .   1   1   4    TRP   CZ3    C   7.097     -5.276   -1.707   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   52     .   1   1   4    TRP   H      H   6.589     -2.220   4.143    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   53     .   1   1   4    TRP   HA     H   6.682     -2.815   1.365    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   54     .   1   1   4    TRP   HB2    H   6.612     -4.244   3.840    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   55     .   1   1   4    TRP   HB3    H   5.390     -4.948   2.766    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   56     .   1   1   4    TRP   HD1    H   8.687     -5.767   3.676    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   57     .   1   1   4    TRP   HE1    H   10.087    -6.816   1.778    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   58     .   1   1   4    TRP   HE3    H   5.797     -4.331   -0.287   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   59     .   1   1   4    TRP   HH2    H   8.548     -6.297   -2.918   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   60     .   1   1   4    TRP   HZ2    H   9.949     -6.992   -1.024   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   61     .   1   1   4    TRP   HZ3    H   6.499     -4.981   -2.557   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   62     .   1   1   4    TRP   N      N   6.304     -1.943   3.215    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   63     .   1   1   4    TRP   NE1    N   9.233     -6.297   1.632    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   64     .   1   1   4    TRP   O      O   4.320     -2.645   0.565    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   65     .   1   1   5    ALA   C      C   1.405     -2.549   3.523    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   66     .   1   1   5    ALA   CA     C   2.225     -3.042   2.335    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   67     .   1   1   5    ALA   CB     C   1.736     -4.411   1.885    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   68     .   1   1   5    ALA   H      H   3.922     -3.294   3.614    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   69     .   1   1   5    ALA   HA     H   2.090     -2.342   1.510    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   70     .   1   1   5    ALA   HB1    H   0.674     -4.357   1.643    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   71     .   1   1   5    ALA   HB2    H   2.294     -4.725   1.003    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   72     .   1   1   5    ALA   HB3    H   1.889     -5.133   2.687    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   73     .   1   1   5    ALA   N      N   3.643     -3.096   2.663    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   74     .   1   1   5    ALA   O      O   1.166     -3.291   4.476    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   75     .   1   1   6    VAL   C      C   -1.211    -1.317   4.583    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   76     .   1   1   6    VAL   CA     C   0.181     -0.700   4.529    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   77     .   1   1   6    VAL   CB     C   0.053     0.822    4.352    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   78     .   1   1   6    VAL   CG1    C   -0.778    1.422    5.479    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   79     .   1   1   6    VAL   CG2    C   1.426     1.473    4.291    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   80     .   1   1   6    VAL   H      H   1.206     -0.735   2.649    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   81     .   1   1   6    VAL   HA     H   0.681     -0.895   5.478    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   82     .   1   1   6    VAL   HB     H   -0.460    1.015    3.410    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   83     .   1   1   6    VAL   HG11   H   -1.757    0.942    5.505    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   84     .   1   1   6    VAL   HG12   H   -0.270    1.262    6.430    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   85     .   1   1   6    VAL   HG13   H   -0.903    2.492    5.309    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   86     .   1   1   6    VAL   HG21   H   2.003     1.029    3.479    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   87     .   1   1   6    VAL   HG22   H   1.946     1.313    5.235    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   88     .   1   1   6    VAL   HG23   H   1.314     2.543    4.114    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   89     .   1   1   6    VAL   N      N   0.976     -1.293   3.459    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   90     .   1   1   6    VAL   O      O   -1.552    -2.025   5.531    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   91     .   1   1   7    GLY   C      C   -4.172    -1.008   2.361    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   92     .   1   1   7    GLY   CA     C   -3.364    -1.575   3.513    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   93     .   1   1   7    GLY   H      H   -1.685    -0.453   2.811    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   94     .   1   1   7    GLY   HA2    H   -3.312    -2.659   3.409    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   95     .   1   1   7    GLY   HA3    H   -3.870    -1.333   4.447    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   96     .   1   1   7    GLY   N      N   -2.016    -1.042   3.562    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   97     .   1   1   7    GLY   O      O   -4.591    -1.744   1.466    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   98     .   1   1   8    HIS   C      C   -4.338    2.083    0.691    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   99     .   1   1   8    HIS   CA     C   -5.155    0.967    1.334    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   100    .   1   1   8    HIS   CB     C   -6.457    1.532    1.900    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   101    .   1   1   8    HIS   CD2    C   -7.509    1.519    -0.475   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   102    .   1   1   8    HIS   CE1    C   -9.433    2.426    0.046    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   103    .   1   1   8    HIS   CG     C   -7.517    1.779    0.863    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   104    .   1   1   8    HIS   H      H   -4.022    0.851    3.146    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   105    .   1   1   8    HIS   HA     H   -5.401    0.232    0.567    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   106    .   1   1   8    HIS   HB2    H   -6.849    0.825    2.630    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   107    .   1   1   8    HIS   HB3    H   -6.238    2.472    2.406    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   108    .   1   1   8    HIS   HD2    H   -6.702    1.073    -1.036   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   109    .   1   1   8    HIS   HE1    H   -10.432   2.829    -0.035   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   110    .   1   1   8    HIS   HE2    H   -9.031    1.876    -1.939   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   111    .   1   1   8    HIS   N      N   -4.392    0.302    2.383    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   112    .   1   1   8    HIS   ND1    N   -8.740    2.351    1.174    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   113    .   1   1   8    HIS   NE2    N   -8.729    1.934    -0.977   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   114    .   1   1   8    HIS   O      O   -4.872    3.137    0.346    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   115    .   1   1   9    LEU   C      C   -1.669    2.366    -1.438   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   116    .   1   1   9    LEU   CA     C   -2.149    2.830    -0.067   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   117    .   1   1   9    LEU   CB     C   -0.948    3.084    0.847    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   118    .   1   1   9    LEU   CD1    C   0.487     4.872    1.859    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   119    .   1   1   9    LEU   CD2    C   0.889     4.135    -0.497   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   120    .   1   1   9    LEU   CG     C   -0.162    4.368    0.579    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   121    .   1   1   9    LEU   H      H   -2.662    0.958    0.837    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   122    .   1   1   9    LEU   HA     H   -2.697    3.764    -0.188   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   123    .   1   1   9    LEU   HB2    H   -1.313    3.125    1.873    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   124    .   1   1   9    LEU   HB3    H   -0.266    2.239    0.759    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   125    .   1   1   9    LEU   HD11   H   -0.279    5.033    2.617    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   126    .   1   1   9    LEU   HD12   H   1.003     5.812    1.659    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   127    .   1   1   9    LEU   HD13   H   1.204     4.134    2.218    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   128    .   1   1   9    LEU   HD21   H   0.406     3.775    -1.405   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   129    .   1   1   9    LEU   HD22   H   1.406     5.072    -0.707   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   130    .   1   1   9    LEU   HD23   H   1.608     3.394    -0.148   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   131    .   1   1   9    LEU   HG     H   -0.856    5.129    0.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   132    .   1   1   9    LEU   N      N   -3.040    1.844    0.534    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   133    .   1   1   9    LEU   O      O   -1.298    1.207    -1.617   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   134    .   1   1   10   MET   C      C   -0.001    3.773    -4.131   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   135    .   1   1   10   MET   CA     C   -1.240    2.965    -3.759   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   136    .   1   1   10   MET   CB     C   -2.365    3.242    -4.757   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   137    .   1   1   10   MET   CE     C   -5.031    2.165    -6.250   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   138    .   1   1   10   MET   CG     C   -2.278    2.398    -6.019   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   139    .   1   1   10   MET   H      H   -1.995    4.216    -2.194   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   140    .   1   1   10   MET   HA     H   -0.990    1.905    -3.804   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   141    .   1   1   10   MET   HB2    H   -3.318    3.037    -4.270   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   142    .   1   1   10   MET   HB3    H   -2.334    4.296    -5.037   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   143    .   1   1   10   MET   HE1    H   -5.937    2.313    -6.838   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   144    .   1   1   10   MET   HE2    H   -5.107    2.725    -5.318   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   145    .   1   1   10   MET   HE3    H   -4.910    1.104    -6.028   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   146    .   1   1   10   MET   HG2    H   -1.324    2.592    -6.509   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   147    .   1   1   10   MET   HG3    H   -2.325    1.346    -5.738   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   148    .   1   1   10   MET   N      N   -1.678    3.281    -2.404   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   149    .   1   1   10   MET   O      O   0.121     4.256    -5.258   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   1    .   150    .   1   1   10   MET   SD     S   -3.613    2.745    -7.179   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   151    .   1   1   1    GLY   C      C   11.319    0.326    2.693    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   152    .   1   1   1    GLY   CA     C   11.395    0.793    1.253    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   153    .   1   1   1    GLY   H1     H   12.652    0.765    -0.335   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   154    .   1   1   1    GLY   H2     H   13.415    0.855    1.124    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   155    .   1   1   1    GLY   H3     H   12.754    -0.571   0.626    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   156    .   1   1   1    GLY   HA2    H   11.283    1.877    1.226    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   157    .   1   1   1    GLY   HA3    H   10.578    0.338    0.694    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   158    .   1   1   1    GLY   N      N   12.649    0.433    0.618    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   159    .   1   1   1    GLY   O      O   11.965    -0.652   3.070    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   160    .   1   1   2    ASN   C      C   9.061     -0.060   5.144    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   161    .   1   1   2    ASN   CA     C   10.374    0.679    4.908    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   162    .   1   1   2    ASN   CB     C   10.426    1.940    5.774    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   163    .   1   1   2    ASN   CG     C   10.948    1.661    7.171    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   164    .   1   1   2    ASN   H      H   10.027    1.820    3.131    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   165    .   1   1   2    ASN   HA     H   11.197    0.025    5.198    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   166    .   1   1   2    ASN   HB2    H   11.073    2.674    5.293    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   167    .   1   1   2    ASN   HB3    H   9.420     2.352    5.852    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   168    .   1   1   2    ASN   HD21   H   9.094     1.928    7.954    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   169    .   1   1   2    ASN   HD22   H   10.350    1.535    9.107    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   170    .   1   1   2    ASN   N      N   10.530    1.027    3.501    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   171    .   1   1   2    ASN   ND2    N   10.060    1.712    8.156    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   172    .   1   1   2    ASN   O      O   8.960     -0.897   6.042    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   173    .   1   1   2    ASN   OD1    O   12.137    1.403    7.360    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   174    .   1   1   3    HIS   C      C   6.234     -0.823   3.084    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   175    .   1   1   3    HIS   CA     C   6.750     -0.382   4.451    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   176    .   1   1   3    HIS   CB     C   5.751     0.573    5.100    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   177    .   1   1   3    HIS   CD2    C   6.192     -0.157   7.553    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   178    .   1   1   3    HIS   CE1    C   6.174     1.833    8.467    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   179    .   1   1   3    HIS   CG     C   5.966     0.766    6.577    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   180    .   1   1   3    HIS   H      H   8.203     0.950    3.614    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   181    .   1   1   3    HIS   HA     H   6.849     -1.263   5.085    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   182    .   1   1   3    HIS   HB2    H   5.837     1.544    4.611    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   183    .   1   1   3    HIS   HB3    H   4.744     0.188    4.941    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   184    .   1   1   3    HIS   HD2    H   6.257     -1.227   7.422    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   185    .   1   1   3    HIS   HE1    H   6.224     2.626    9.199    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   186    .   1   1   3    HIS   HE2    H   6.496     0.133    9.655    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   187    .   1   1   3    HIS   N      N   8.058     0.254    4.332    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   188    .   1   1   3    HIS   ND1    N   5.959     2.017    7.173    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   189    .   1   1   3    HIS   NE2    N   6.322     0.535    8.745    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   190    .   1   1   3    HIS   O      O   6.006     0.002    2.199    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   191    .   1   1   4    TRP   C      C   4.141     -2.212   1.376    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   192    .   1   1   4    TRP   CA     C   5.565     -2.680   1.660    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   193    .   1   1   4    TRP   CB     C   5.615     -4.208   1.695    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   194    .   1   1   4    TRP   CD1    C   7.450     -5.722   0.741    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   195    .   1   1   4    TRP   CD2    C   6.361     -4.511   -0.798   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   196    .   1   1   4    TRP   CE2    C   7.335     -5.293   -1.449   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   197    .   1   1   4    TRP   CE3    C   5.551     -3.668   -1.565   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   198    .   1   1   4    TRP   CG     C   6.450     -4.800   0.601    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   199    .   1   1   4    TRP   CH2    C   6.714     -4.422   -3.555   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   200    .   1   1   4    TRP   CZ2    C   7.521     -5.256   -2.829   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   201    .   1   1   4    TRP   CZ3    C   5.737     -3.632   -2.934   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   202    .   1   1   4    TRP   H      H   6.257     -2.755   3.685    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   203    .   1   1   4    TRP   HA     H   6.212     -2.330   0.856    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   204    .   1   1   4    TRP   HB2    H   6.019     -4.525   2.657    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   205    .   1   1   4    TRP   HB3    H   4.598     -4.589   1.599    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   206    .   1   1   4    TRP   HD1    H   7.771     -6.150   1.679    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   207    .   1   1   4    TRP   HE1    H   8.737     -6.676   -0.657   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   208    .   1   1   4    TRP   HE3    H   4.794     -3.057   -1.096   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   209    .   1   1   4    TRP   HH2    H   6.832     -4.372   -4.627   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   210    .   1   1   4    TRP   HZ2    H   8.275     -5.862   -3.309   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   211    .   1   1   4    TRP   HZ3    H   5.118     -2.983   -3.536   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   212    .   1   1   4    TRP   N      N   6.053     -2.129   2.920    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   213    .   1   1   4    TRP   NE1    N   7.986     -6.022   -0.488   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   214    .   1   1   4    TRP   O      O   3.899     -1.481   0.417    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   215    .   1   1   5    ALA   C      C   1.118     -2.116   3.410    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   216    .   1   1   5    ALA   CA     C   1.806     -2.259   2.056    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   217    .   1   1   5    ALA   CB     C   1.077     -3.282   1.198    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   218    .   1   1   5    ALA   H      H   3.468     -3.238   2.986    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   219    .   1   1   5    ALA   HA     H   1.768     -1.296   1.548    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   220    .   1   1   5    ALA   HB1    H   0.034     -2.986   1.086    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   221    .   1   1   5    ALA   HB2    H   1.548     -3.333   0.216    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   222    .   1   1   5    ALA   HB3    H   1.128     -4.260   1.676    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   223    .   1   1   5    ALA   N      N   3.205     -2.638   2.217    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   224    .   1   1   5    ALA   O      O   0.733     -3.108   4.030    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   225    .   1   1   6    VAL   C      C   -1.139    -1.032   5.127    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   226    .   1   1   6    VAL   CA     C   0.323     -0.603   5.145    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   227    .   1   1   6    VAL   CB     C   0.408     0.891    5.505    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   228    .   1   1   6    VAL   CG1    C   -0.264    1.154    6.846    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   229    .   1   1   6    VAL   CG2    C   1.855     1.355    5.525    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   230    .   1   1   6    VAL   H      H   1.306     -0.104   3.310    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   231    .   1   1   6    VAL   HA     H   0.839     -1.173   5.917    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   232    .   1   1   6    VAL   HB     H   -0.123    1.458    4.740    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   233    .   1   1   6    VAL   HG11   H   -1.298    0.814    6.808    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   234    .   1   1   6    VAL   HG12   H   0.267     0.615    7.630    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   235    .   1   1   6    VAL   HG13   H   -0.240    2.223    7.060    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   236    .   1   1   6    VAL   HG21   H   2.314     1.157    4.557    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   237    .   1   1   6    VAL   HG22   H   2.399     0.817    6.302    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   238    .   1   1   6    VAL   HG23   H   1.891     2.425    5.732    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   239    .   1   1   6    VAL   N      N   0.967     -0.877   3.865    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   240    .   1   1   6    VAL   O      O   -1.700    -1.401   6.157    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   241    .   1   1   7    GLY   C      C   -3.683    -1.132   2.420    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   242    .   1   1   7    GLY   CA     C   -3.144    -1.365   3.817    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   243    .   1   1   7    GLY   H      H   -1.243    -0.666   3.135    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   244    .   1   1   7    GLY   HA2    H   -3.237    -2.425   4.055    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   245    .   1   1   7    GLY   HA3    H   -3.740    -0.790   4.526    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   246    .   1   1   7    GLY   N      N   -1.753    -0.979   3.949    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   247    .   1   1   7    GLY   O      O   -3.483    -1.956   1.526    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   248    .   1   1   8    HIS   C      C   -3.918    1.065    0.065    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   249    .   1   1   8    HIS   CA     C   -4.936    0.327    0.929    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   250    .   1   1   8    HIS   CB     C   -6.190    1.183    1.103    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   251    .   1   1   8    HIS   CD2    C   -6.981    0.563    -1.292   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   252    .   1   1   8    HIS   CE1    C   -8.623    2.002    -1.446   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   253    .   1   1   8    HIS   CG     C   -7.043    1.276    -0.132   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   254    .   1   1   8    HIS   H      H   -4.497    0.626    3.003    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   255    .   1   1   8    HIS   HA     H   -5.215    -0.597   0.423    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   256    .   1   1   8    HIS   HB2    H   -6.790    0.765    1.912    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   257    .   1   1   8    HIS   HB3    H   -5.881    2.191    1.383    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   258    .   1   1   8    HIS   HD2    H   -6.278    -0.223   -1.526   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   259    .   1   1   8    HIS   HE1    H   -9.462    2.564    -1.832   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   260    .   1   1   8    HIS   HE2    H   -8.203    0.708    -3.044   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   261    .   1   1   8    HIS   N      N   -4.367    -0.010   2.229    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   262    .   1   1   8    HIS   ND1    N   -8.086    2.180    -0.250   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   263    .   1   1   8    HIS   NE2    N   -7.988    1.035    -2.113   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   264    .   1   1   8    HIS   O      O   -4.196    2.148    -0.451   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   265    .   1   1   9    LEU   C      C   -1.235    2.405    -0.293   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   266    .   1   1   9    LEU   CA     C   -1.679    1.074    -0.890   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   267    .   1   1   9    LEU   CB     C   -2.155    1.279    -2.329   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   268    .   1   1   9    LEU   CD1    C   -0.512    -0.074   -3.652   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   269    .   1   1   9    LEU   CD2    C   -1.598    1.929    -4.686   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   270    .   1   1   9    LEU   CG     C   -1.061    1.321    -3.397   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   271    .   1   1   9    LEU   H      H   -2.573    -0.417   0.361    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   272    .   1   1   9    LEU   HA     H   -0.826    0.396    -0.900   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   273    .   1   1   9    LEU   HB2    H   -2.831    0.461    -2.577   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   274    .   1   1   9    LEU   HB3    H   -2.715    2.213    -2.375   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   275    .   1   1   9    LEU   HD11   H   -0.133    -0.492   -2.720   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   276    .   1   1   9    LEU   HD12   H   -1.307    -0.712   -4.040   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   277    .   1   1   9    LEU   HD13   H   0.297     -0.018   -4.381   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   278    .   1   1   9    LEU   HD21   H   -1.987    2.927    -4.483   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   279    .   1   1   9    LEU   HD22   H   -2.398    1.300    -5.078   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   280    .   1   1   9    LEU   HD23   H   -0.794    1.994    -5.419   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   281    .   1   1   9    LEU   HG     H   -0.249    1.949    -3.033   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   282    .   1   1   9    LEU   N      N   -2.739    0.472    -0.088   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   283    .   1   1   9    LEU   O      O   -0.997    3.372    -1.017   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   284    .   1   1   10   MET   C      C   -1.631    4.826    1.389    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   285    .   1   1   10   MET   CA     C   -0.704    3.661    1.723    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   286    .   1   1   10   MET   CB     C   0.735     4.016    1.348    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   287    .   1   1   10   MET   CE     C   3.968     4.738    2.113    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   288    .   1   1   10   MET   CG     C   1.768     3.064    1.930    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   289    .   1   1   10   MET   H      H   -1.335    1.621    1.569    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   290    .   1   1   10   MET   HA     H   -0.748    3.479    2.797    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   291    .   1   1   10   MET   HB2    H   0.826     4.011    0.262    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   292    .   1   1   10   MET   HB3    H   0.948     5.021    1.713    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   293    .   1   1   10   MET   HE1    H   4.971     5.006    1.781    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   294    .   1   1   10   MET   HE2    H   3.985     4.517    3.180    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   295    .   1   1   10   MET   HE3    H   3.289     5.570    1.925    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   296    .   1   1   10   MET   HG2    H   1.830     3.231    3.005    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   297    .   1   1   10   MET   HG3    H   1.444     2.038    1.749    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   298    .   1   1   10   MET   N      N   -1.124    2.448    1.030    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   299    .   1   1   10   MET   O      O   -1.420    5.951    1.845    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   2    .   300    .   1   1   10   MET   SD     S   3.407     3.295    1.214    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   301    .   1   1   1    GLY   C      C   10.004    2.754    1.604    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   302    .   1   1   1    GLY   CA     C   9.480     3.354    0.314    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   303    .   1   1   1    GLY   H1     H   10.060    3.701    -1.596   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   304    .   1   1   1    GLY   H2     H   11.287    3.778    -0.497   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   305    .   1   1   1    GLY   H3     H   10.675    2.314    -0.948   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   306    .   1   1   1    GLY   HA2    H   9.231     4.400    0.490    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   307    .   1   1   1    GLY   HA3    H   8.578     2.820    0.015    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   308    .   1   1   1    GLY   N      N   10.449    3.281    -0.763   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   309    .   1   1   1    GLY   O      O   11.126    2.252    1.653    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   310    .   1   1   2    ASN   C      C   8.671     1.109    4.351    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   311    .   1   1   2    ASN   CA     C   9.577     2.269    3.951    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   312    .   1   1   2    ASN   CB     C   9.524     3.363    5.019    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   313    .   1   1   2    ASN   CG     C   10.514    4.480    4.750    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   314    .   1   1   2    ASN   H      H   8.280     3.235    2.549    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   315    .   1   1   2    ASN   HA     H   10.601    1.901    3.882    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   316    .   1   1   2    ASN   HB2    H   8.519     3.784    5.039    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   317    .   1   1   2    ASN   HB3    H   9.743     2.921    5.991    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   318    .   1   1   2    ASN   HD21   H   12.065    3.273    5.259    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   319    .   1   1   2    ASN   HD22   H   12.501    4.899    4.784    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   320    .   1   1   2    ASN   N      N   9.190     2.809    2.654    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   321    .   1   1   2    ASN   ND2    N   11.795    4.195    4.947    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   322    .   1   1   2    ASN   O      O   9.096     0.183    5.041    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   323    .   1   1   2    ASN   OD1    O   10.130    5.587    4.371    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   324    .   1   1   3    HIS   C      C   6.049     -0.641   2.962    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   325    .   1   1   3    HIS   CA     C   6.449     0.119    4.222    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   326    .   1   1   3    HIS   CB     C   5.212     0.724    4.885    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   327    .   1   1   3    HIS   CD2    C   4.915     3.151    4.008    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   328    .   1   1   3    HIS   CE1    C   3.184     2.795    2.717    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   329    .   1   1   3    HIS   CG     C   4.580     1.832    4.087    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   330    .   1   1   3    HIS   H      H   7.128     1.951    3.347    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   331    .   1   1   3    HIS   HA     H   6.908     -0.582   4.919    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   332    .   1   1   3    HIS   HB2    H   4.473     -0.067   5.021    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   333    .   1   1   3    HIS   HB3    H   5.493     1.112    5.864    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   334    .   1   1   3    HIS   HD2    H   5.727     3.638    4.529    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   335    .   1   1   3    HIS   HE1    H   2.371     2.955    2.024    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   336    .   1   1   3    HIS   HE2    H   4.006     4.720    2.868    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   337    .   1   1   3    HIS   N      N   7.417     1.165    3.911    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   338    .   1   1   3    HIS   ND1    N   3.484     1.626    3.265    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   339    .   1   1   3    HIS   NE2    N   4.022     3.747    3.137    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   340    .   1   1   3    HIS   O      O   5.703     -0.040   1.945    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   341    .   1   1   4    TRP   C      C   4.271     -2.639   1.537    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   342    .   1   1   4    TRP   CA     C   5.741     -2.810   1.900    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   343    .   1   1   4    TRP   CB     C   6.034     -4.278   2.216    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   344    .   1   1   4    TRP   CD1    C   8.177     -5.604   1.754    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   345    .   1   1   4    TRP   CD2    C   7.193     -4.778   -0.080   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   346    .   1   1   4    TRP   CE2    C   8.350     -5.481   -0.469   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   347    .   1   1   4    TRP   CE3    C   6.410     -4.171   -1.065   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   348    .   1   1   4    TRP   CG     C   7.101     -4.870   1.346    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   349    .   1   1   4    TRP   CH2    C   7.957     -4.987   -2.745   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   350    .   1   1   4    TRP   CZ2    C   8.742     -5.591   -1.800   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   351    .   1   1   4    TRP   CZ3    C   6.799     -4.282   -2.387   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   352    .   1   1   4    TRP   H      H   6.390     -2.402   3.900    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   353    .   1   1   4    TRP   HA     H   6.346     -2.512   1.044    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   354    .   1   1   4    TRP   HB2    H   6.356     -4.350   3.255    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   355    .   1   1   4    TRP   HB3    H   5.118     -4.854   2.091    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   356    .   1   1   4    TRP   HD1    H   8.401     -5.857   2.779    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   357    .   1   1   4    TRP   HE1    H   9.781     -6.523   0.703    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   358    .   1   1   4    TRP   HE3    H   5.517     -3.625   -0.799   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   359    .   1   1   4    TRP   HH2    H   8.235     -5.055   -3.786   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   360    .   1   1   4    TRP   HZ2    H   9.633     -6.134   -2.078   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   361    .   1   1   4    TRP   HZ3    H   6.201     -3.817   -3.158   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   362    .   1   1   4    TRP   N      N   6.098     -1.967   3.036    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   363    .   1   1   4    TRP   NE1    N   8.933     -5.975   0.668    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   364    .   1   1   4    TRP   O      O   3.940     -2.210   0.431    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   365    .   1   1   5    ALA   C      C   1.222     -2.547   3.553    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   366    .   1   1   5    ALA   CA     C   1.955     -2.857   2.252    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   367    .   1   1   5    ALA   CB     C   1.410     -4.133   1.628    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   368    .   1   1   5    ALA   H      H   3.724     -3.322   3.361    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   369    .   1   1   5    ALA   HA     H   1.782     -2.035   1.557    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   370    .   1   1   5    ALA   HB1    H   0.337     -4.030   1.468    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   371    .   1   1   5    ALA   HB2    H   1.904     -4.309   0.673    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   372    .   1   1   5    ALA   HB3    H   1.600     -4.973   2.296    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   373    .   1   1   5    ALA   N      N   3.390     -2.976   2.473    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   374    .   1   1   5    ALA   O      O   1.027     -3.428   4.392    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   375    .   1   1   6    VAL   C      C   -1.357    -1.275   4.859    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   376    .   1   1   6    VAL   CA     C   0.107     -0.865   4.916    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   377    .   1   1   6    VAL   CB     C   0.199     0.660    5.109    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   378    .   1   1   6    VAL   CG1    C   -0.531    1.384    3.987    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   379    .   1   1   6    VAL   CG2    C   -0.365    1.058    6.465    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   380    .   1   1   6    VAL   H      H   1.012     -0.615   2.991    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   381    .   1   1   6    VAL   HA     H   0.566     -1.349   5.778    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   382    .   1   1   6    VAL   HB     H   1.250     0.947    5.077    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   383    .   1   1   6    VAL   HG11   H   -0.111    1.084    3.027    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   384    .   1   1   6    VAL   HG12   H   -1.590    1.126    4.017    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   385    .   1   1   6    VAL   HG13   H   -0.416    2.461    4.114    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   386    .   1   1   6    VAL   HG21   H   0.172     0.528    7.252    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   387    .   1   1   6    VAL   HG22   H   -1.423    0.798    6.509    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   388    .   1   1   6    VAL   HG23   H   -0.249    2.132    6.606    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   389    .   1   1   6    VAL   N      N   0.820     -1.291   3.716    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   390    .   1   1   6    VAL   O      O   -2.005    -1.454   5.890    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   391    .   1   1   7    GLY   C      C   -4.119    -0.686   2.912    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   392    .   1   1   7    GLY   CA     C   -3.269    -1.809   3.474    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   393    .   1   1   7    GLY   H      H   -1.304    -1.259   2.830    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   394    .   1   1   7    GLY   HA2    H   -3.318    -2.663   2.798    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   395    .   1   1   7    GLY   HA3    H   -3.672    -2.100   4.444    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   396    .   1   1   7    GLY   N      N   -1.880    -1.421   3.644    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   397    .   1   1   7    GLY   O      O   -5.318    -0.611   3.184    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   398    .   1   1   8    HIS   C      C   -3.906    1.409    0.032    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   399    .   1   1   8    HIS   CA     C   -4.206    1.313    1.524    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   400    .   1   1   8    HIS   CB     C   -3.818    2.618    2.222    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   401    .   1   1   8    HIS   CD2    C   -3.905    3.210    4.749    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   402    .   1   1   8    HIS   CE1    C   -6.016    2.742    5.093    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   403    .   1   1   8    HIS   CG     C   -4.450    2.782    3.575    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   404    .   1   1   8    HIS   H      H   -2.512    0.071    1.940    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   405    .   1   1   8    HIS   HA     H   -5.277    1.156    1.653    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   406    .   1   1   8    HIS   HB2    H   -2.734    2.636    2.342    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   407    .   1   1   8    HIS   HB3    H   -4.115    3.455    1.591    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   408    .   1   1   8    HIS   HD2    H   -2.882    3.517    4.907    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   409    .   1   1   8    HIS   HE1    H   -6.971    2.611    5.581    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   410    .   1   1   8    HIS   HE2    H   -4.821    3.439    6.671    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   411    .   1   1   8    HIS   N      N   -3.498    0.189    2.125    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   412    .   1   1   8    HIS   ND1    N   -5.784    2.490    3.813    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   413    .   1   1   8    HIS   NE2    N   -4.908    3.179    5.699    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   414    .   1   1   8    HIS   O      O   -3.852    2.503    -0.531   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   415    .   1   1   9    LEU   C      C   -4.398    -0.693   -2.762   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   416    .   1   1   9    LEU   CA     C   -3.414    0.212    -2.030   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   417    .   1   1   9    LEU   CB     C   -1.983    -0.280   -2.258   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   418    .   1   1   9    LEU   CD1    C   0.446     -0.258   -1.640   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   419    .   1   1   9    LEU   CD2    C   -0.782    1.899    -1.951   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   420    .   1   1   9    LEU   CG     C   -0.889    0.455    -1.483   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   421    .   1   1   9    LEU   H      H   -3.767    -0.607   -0.083   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   422    .   1   1   9    LEU   HA     H   -3.503    1.220    -2.435   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   423    .   1   1   9    LEU   HB2    H   -1.943    -1.332   -1.974   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   424    .   1   1   9    LEU   HB3    H   -1.759    -0.204   -3.322   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   425    .   1   1   9    LEU   HD11   H   0.351     -1.289   -1.301   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   426    .   1   1   9    LEU   HD12   H   0.742     -0.247   -2.689   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   427    .   1   1   9    LEU   HD13   H   1.203     0.252    -1.044   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   428    .   1   1   9    LEU   HD21   H   -1.746    2.392    -1.832   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   429    .   1   1   9    LEU   HD22   H   -0.031    2.419    -1.356   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   430    .   1   1   9    LEU   HD23   H   -0.491    1.919    -3.002   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   431    .   1   1   9    LEU   HG     H   -1.157    0.455    -0.427   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   432    .   1   1   9    LEU   N      N   -3.710    0.258    -0.602   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   433    .   1   1   9    LEU   O      O   -4.057    -1.810   -3.152   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   434    .   1   1   10   MET   C      C   -6.872    -0.438   -5.047   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   435    .   1   1   10   MET   CA     C   -6.654    -0.969   -3.635   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   436    .   1   1   10   MET   CB     C   -7.965    -0.916   -2.848   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   437    .   1   1   10   MET   CE     C   -9.953    -3.230   -1.140   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   438    .   1   1   10   MET   CG     C   -7.846    -1.454   -1.431   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   439    .   1   1   10   MET   H      H   -5.838    0.719    -2.599   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   440    .   1   1   10   MET   HA     H   -6.330    -2.008   -3.700   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   441    .   1   1   10   MET   HB2    H   -8.295    0.122    -2.797   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   442    .   1   1   10   MET   HB3    H   -8.718    -1.497   -3.382   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   443    .   1   1   10   MET   HE1    H   -10.928   -3.465   -0.711   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   444    .   1   1   10   MET   HE2    H   -10.020   -3.253   -2.227   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   445    .   1   1   10   MET   HE3    H   -9.222    -3.966   -0.805   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   446    .   1   1   10   MET   HG2    H   -7.376    -2.437   -1.464   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   447    .   1   1   10   MET   HG3    H   -7.215    -0.779   -0.853   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   448    .   1   1   10   MET   N      N   -5.620    -0.204   -2.945   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   449    .   1   1   10   MET   O      O   -6.950    -1.207   -6.006   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   3    .   450    .   1   1   10   MET   SD     S   -9.443    -1.598   -0.607   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   451    .   1   1   1    GLY   C      C   10.488    -0.885   8.464    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   452    .   1   1   1    GLY   CA     C   10.469    -1.064   9.969    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   453    .   1   1   1    GLY   H1     H   9.336     -0.446   11.530   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   454    .   1   1   1    GLY   H2     H   8.550     -1.452   10.487   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   455    .   1   1   1    GLY   H3     H   8.827     0.118    10.066   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   456    .   1   1   1    GLY   HA2    H   11.260    -0.457   10.408   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   457    .   1   1   1    GLY   HA3    H   10.659    -2.113   10.199   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   458    .   1   1   1    GLY   N      N   9.199     -0.682   10.558   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   459    .   1   1   1    GLY   O      O   11.373    -0.225   7.923    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   460    .   1   1   2    ASN   C      C   8.059     -0.844   5.909    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   461    .   1   1   2    ASN   CA     C   9.421     -1.385   6.335    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   462    .   1   1   2    ASN   CB     C   9.660     -2.754   5.697    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   463    .   1   1   2    ASN   CG     C   9.084     -3.886   6.527    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   464    .   1   1   2    ASN   H      H   8.814     -2.008   8.291    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   465    .   1   1   2    ASN   HA     H   10.192    -0.699   5.983    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   466    .   1   1   2    ASN   HB2    H   9.192     -2.769   4.713    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   467    .   1   1   2    ASN   HB3    H   10.732    -2.910   5.582    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   468    .   1   1   2    ASN   HD21   H   10.887    -4.819   6.567    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   469    .   1   1   2    ASN   HD22   H   9.595     -5.639   7.415    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   470    .   1   1   2    ASN   N      N   9.511     -1.479   7.788    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   471    .   1   1   2    ASN   ND2    N   9.922     -4.859   6.863    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   472    .   1   1   2    ASN   O      O   7.104     -0.851   6.687    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   473    .   1   1   2    ASN   OD1    O   7.899     -3.886   6.860    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   474    .   1   1   3    HIS   C      C   6.316     -0.564   2.865    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   475    .   1   1   3    HIS   CA     C   6.731     0.169    4.137    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   476    .   1   1   3    HIS   CB     C   6.883     1.663    3.849    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   477    .   1   1   3    HIS   CD2    C   8.273     2.178    1.716    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   478    .   1   1   3    HIS   CE1    C   10.212    2.469    2.685    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   479    .   1   1   3    HIS   CG     C   8.117     2.001    3.058    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   480    .   1   1   3    HIS   H      H   8.796     -0.396   4.077    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   481    .   1   1   3    HIS   HA     H   5.948     0.037    4.884    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   482    .   1   1   3    HIS   HB2    H   6.011     1.995    3.285    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   483    .   1   1   3    HIS   HB3    H   6.914     2.201    4.796    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   484    .   1   1   3    HIS   HD2    H   7.501     2.101    0.964    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   485    .   1   1   3    HIS   HE1    H   11.263    2.668    2.836    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   486    .   1   1   3    HIS   HE2    H   10.039    2.658    0.605    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   487    .   1   1   3    HIS   N      N   7.976     -0.375   4.667    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   488    .   1   1   3    HIS   ND1    N   9.353     2.188    3.653    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   489    .   1   1   3    HIS   NE2    N   9.605     2.473    1.498    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   490    .   1   1   3    HIS   O      O   6.304     0.016    1.779    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   491    .   1   1   4    TRP   C      C   4.129     -2.335   1.467    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   492    .   1   1   4    TRP   CA     C   5.566     -2.653   1.870    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   493    .   1   1   4    TRP   CB     C   5.696     -4.141   2.203    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   494    .   1   1   4    TRP   CD1    C   7.813     -5.573   2.004    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   495    .   1   1   4    TRP   CD2    C   7.036     -4.802   0.050    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   496    .   1   1   4    TRP   CE2    C   8.193     -5.568   -0.197   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   497    .   1   1   4    TRP   CE3    C   6.373     -4.215   -1.031   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   498    .   1   1   4    TRP   CG     C   6.811     -4.818   1.463    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   499    .   1   1   4    TRP   CH2    C   8.029     -5.174   -2.521   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   500    .   1   1   4    TRP   CZ2    C   8.697     -5.759   -1.480   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   501    .   1   1   4    TRP   CZ3    C   6.876     -4.407   -2.304   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   502    .   1   1   4    TRP   H      H   6.010     -2.259   3.926    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   503    .   1   1   4    TRP   HA     H   6.220     -2.428   1.027    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   504    .   1   1   4    TRP   HB2    H   5.880     -4.241   3.273    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   505    .   1   1   4    TRP   HB3    H   4.758     -4.639   1.959    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   506    .   1   1   4    TRP   HD1    H   7.932     -5.783   3.057    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   507    .   1   1   4    TRP   HE1    H   9.465     -6.603   1.149    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   508    .   1   1   4    TRP   HE3    H   5.484     -3.623   -0.875   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   509    .   1   1   4    TRP   HH2    H   8.397     -5.305   -3.528   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   510    .   1   1   4    TRP   HZ2    H   9.586     -6.350   -1.649   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   511    .   1   1   4    TRP   HZ3    H   6.371     -3.958   -3.147   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   512    .   1   1   4    TRP   N      N   5.979     -1.841   3.008    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   513    .   1   1   4    TRP   NE1    N   8.648     -6.026   1.011    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   514    .   1   1   4    TRP   O      O   3.884     -1.771   0.400    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   515    .   1   1   5    ALA   C      C   1.021     -2.128   3.348    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   516    .   1   1   5    ALA   CA     C   1.773     -2.452   2.061    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   517    .   1   1   5    ALA   CB     C   1.145     -3.654   1.369    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   518    .   1   1   5    ALA   H      H   3.450     -3.164   3.184    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   519    .   1   1   5    ALA   HA     H   1.696     -1.593   1.394    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   520    .   1   1   5    ALA   HB1    H   0.091     -3.454   1.177    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   521    .   1   1   5    ALA   HB2    H   1.238     -4.530   2.010    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   522    .   1   1   5    ALA   HB3    H   1.658     -3.838   0.425    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   523    .   1   1   5    ALA   N      N   3.184     -2.701   2.326    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   524    .   1   1   5    ALA   O      O   0.551     -3.025   4.047    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   525    .   1   1   6    VAL   C      C   -1.188    -0.985   4.929    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   526    .   1   1   6    VAL   CA     C   0.215     -0.395   4.859    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   527    .   1   1   6    VAL   CB     C   0.121     1.139    4.918    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   528    .   1   1   6    VAL   CG1    C   -0.560    1.682    3.671    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   529    .   1   1   6    VAL   CG2    C   -0.620    1.578    6.173    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   530    .   1   1   6    VAL   H      H   1.321     -0.150   3.041    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   531    .   1   1   6    VAL   HA     H   0.776     -0.739   5.727    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   532    .   1   1   6    VAL   HB     H   1.133     1.542    4.959    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   533    .   1   1   6    VAL   HG11   H   -0.013    1.355    2.786    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   534    .   1   1   6    VAL   HG12   H   -1.583    1.309    3.624    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   535    .   1   1   6    VAL   HG13   H   -0.572    2.771    3.709    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   536    .   1   1   6    VAL   HG21   H   -0.116    1.178    7.052    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   537    .   1   1   6    VAL   HG22   H   -0.632    2.667    6.225    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   538    .   1   1   6    VAL   HG23   H   -1.644    1.205    6.140    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   539    .   1   1   6    VAL   N      N   0.912     -0.839   3.656    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   540    .   1   1   6    VAL   O      O   -1.712    -1.240   6.013    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   541    .   1   1   7    GLY   C      C   -3.960    -1.183   2.584    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   542    .   1   1   7    GLY   CA     C   -3.133    -1.758   3.717    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   543    .   1   1   7    GLY   H      H   -1.318    -0.972   2.904    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   544    .   1   1   7    GLY   HA2    H   -3.057    -2.837   3.581    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   545    .   1   1   7    GLY   HA3    H   -3.635    -1.554   4.662    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   546    .   1   1   7    GLY   N      N   -1.794    -1.200   3.764    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   547    .   1   1   7    GLY   O      O   -4.653    -1.915   1.877    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   548    .   1   1   8    HIS   C      C   -3.912    0.705    0.022    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   549    .   1   1   8    HIS   CA     C   -4.641    0.809    1.359    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   550    .   1   1   8    HIS   CB     C   -4.860    2.278    1.718    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   551    .   1   1   8    HIS   CD2    C   -6.005    3.555    -0.230   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   552    .   1   1   8    HIS   CE1    C   -8.042    3.567    0.574    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   553    .   1   1   8    HIS   CG     C   -6.000    2.917    0.973    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   554    .   1   1   8    HIS   H      H   -3.305    0.681    3.027    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   555    .   1   1   8    HIS   HA     H   -5.613    0.326    1.262    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   556    .   1   1   8    HIS   HB2    H   -5.067    2.344    2.786    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   557    .   1   1   8    HIS   HB3    H   -3.946    2.831    1.503    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   558    .   1   1   8    HIS   HD2    H   -5.154    3.715    -0.876   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   559    .   1   1   8    HIS   HE1    H   -9.103    3.740    0.677    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   560    .   1   1   8    HIS   HE2    H   -7.639    4.462    -1.281   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   561    .   1   1   8    HIS   N      N   -3.891    0.134    2.413    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   562    .   1   1   8    HIS   ND1    N   -7.293    2.934    1.466    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   563    .   1   1   8    HIS   NE2    N   -7.307    3.961    -0.469   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   564    .   1   1   8    HIS   O      O   -3.583    1.716    -0.597   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   565    .   1   1   9    LEU   C      C   -3.798    -1.666   -2.591   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   566    .   1   1   9    LEU   CA     C   -2.973    -0.761   -1.680   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   567    .   1   1   9    LEU   CB     C   -1.602    -1.387   -1.425   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   568    .   1   1   9    LEU   CD1    C   0.801     -1.370   -2.138   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   569    .   1   1   9    LEU   CD2    C   -0.888    -2.643   -3.474   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   570    .   1   1   9    LEU   CG     C   -0.642    -1.411   -2.615   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   571    .   1   1   9    LEU   H      H   -3.960    -1.314   0.138    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   572    .   1   1   9    LEU   HA     H   -2.829    0.196    -2.182   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   573    .   1   1   9    LEU   HB2    H   -1.124    -0.825   -0.622   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   574    .   1   1   9    LEU   HB3    H   -1.751    -2.412   -1.084   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   575    .   1   1   9    LEU   HD11   H   0.957     -0.482   -1.526   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   576    .   1   1   9    LEU   HD12   H   1.013     -2.261   -1.547   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   577    .   1   1   9    LEU   HD13   H   1.467     -1.338   -3.000   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   578    .   1   1   9    LEU   HD21   H   -1.926    -2.654   -3.806   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   579    .   1   1   9    LEU   HD22   H   -0.229    -2.617   -4.343   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   580    .   1   1   9    LEU   HD23   H   -0.683    -3.540   -2.890   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   581    .   1   1   9    LEU   HG     H   -0.828    -0.525   -3.223   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   582    .   1   1   9    LEU   N      N   -3.664    -0.524   -0.417   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   583    .   1   1   9    LEU   O      O   -4.285    -2.712   -2.163   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   584    .   1   1   10   MET   C      C   -3.936    -2.176   -6.124   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   585    .   1   1   10   MET   CA     C   -4.708    -2.033   -4.817   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   586    .   1   1   10   MET   CB     C   -6.062    -1.372   -5.081   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   587    .   1   1   10   MET   CE     C   -9.443    -3.420   -4.352   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   588    .   1   1   10   MET   CG     C   -7.151    -2.353   -5.484   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   589    .   1   1   10   MET   H      H   -3.521    -0.388   -4.135   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   590    .   1   1   10   MET   HA     H   -4.882    -3.027   -4.406   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   591    .   1   1   10   MET   HB2    H   -6.378    -0.861   -4.172   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   592    .   1   1   10   MET   HB3    H   -5.943    -0.635   -5.875   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   593    .   1   1   10   MET   HE1    H   -9.908    -4.037   -3.583   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   594    .   1   1   10   MET   HE2    H   -9.822    -2.400   -4.277   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   595    .   1   1   10   MET   HE3    H   -9.682    -3.824   -5.336   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   596    .   1   1   10   MET   HG2    H   -8.014    -1.795   -5.844   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   597    .   1   1   10   MET   HG3    H   -6.773    -2.980   -6.292   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   598    .   1   1   10   MET   N      N   -3.946    -1.257   -3.846   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   599    .   1   1   10   MET   O      O   -3.588    -1.184   -6.764   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   4    .   600    .   1   1   10   MET   SD     S   -7.667    -3.415   -4.123   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   601    .   1   1   1    GLY   C      C   11.223    0.417    5.299    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   602    .   1   1   1    GLY   CA     C   12.107    1.592    5.668    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   603    .   1   1   1    GLY   H1     H   11.998    3.139    6.971    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   604    .   1   1   1    GLY   H2     H   10.998    3.287    5.668    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   605    .   1   1   1    GLY   H3     H   10.620    2.237    6.883    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   606    .   1   1   1    GLY   HA2    H   12.551    2.001    4.760    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   607    .   1   1   1    GLY   HA3    H   12.903    1.239    6.324    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   608    .   1   1   1    GLY   N      N   11.375    2.644    6.349    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   609    .   1   1   1    GLY   O      O   11.189    -0.002   4.143    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   610    .   1   1   2    ASN   C      C   8.193     -0.786   5.806    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   611    .   1   1   2    ASN   CA     C   9.623     -1.254   6.056    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   612    .   1   1   2    ASN   CB     C   9.659     -2.202   7.256    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   613    .   1   1   2    ASN   CG     C   11.052    -2.347   7.837    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   614    .   1   1   2    ASN   H      H   10.581    0.273    7.213    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   615    .   1   1   2    ASN   HA     H   9.971     -1.794   5.176    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   616    .   1   1   2    ASN   HB2    H   8.996     -1.814   8.029    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   617    .   1   1   2    ASN   HB3    H   9.301     -3.183   6.943    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   618    .   1   1   2    ASN   HD21   H   10.331    -2.087   9.717    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   619    .   1   1   2    ASN   HD22   H   12.058    -2.338   9.601    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   620    .   1   1   2    ASN   N      N   10.509    -0.118   6.284    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   621    .   1   1   2    ASN   ND2    N   11.155    -2.250   9.157    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   622    .   1   1   2    ASN   O      O   7.352     -0.817   6.705    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   623    .   1   1   2    ASN   OD1    O   12.024    -2.545   7.107    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   624    .   1   1   3    HIS   C      C   6.144     -0.501   2.888    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   625    .   1   1   3    HIS   CA     C   6.594     0.119    4.208    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   626    .   1   1   3    HIS   CB     C   6.583     1.642    4.101    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   627    .   1   1   3    HIS   CD2    C   7.009     2.081    6.625    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   628    .   1   1   3    HIS   CE1    C   8.341     3.805    6.410    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   629    .   1   1   3    HIS   CG     C   7.168     2.342    5.297    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   630    .   1   1   3    HIS   H      H   8.658     -0.351   3.884    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   631    .   1   1   3    HIS   HA     H   5.891     -0.178   4.987    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   632    .   1   1   3    HIS   HB2    H   7.159     1.928    3.220    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   633    .   1   1   3    HIS   HB3    H   5.554     1.976    3.969    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   634    .   1   1   3    HIS   HD2    H   6.411     1.292    7.057    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   635    .   1   1   3    HIS   HE1    H   8.992     4.633    6.647    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   636    .   1   1   3    HIS   HE2    H   7.850     3.090    8.318    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   637    .   1   1   3    HIS   N      N   7.924     -0.353   4.578    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   638    .   1   1   3    HIS   ND1    N   8.011     3.434    5.181    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   639    .   1   1   3    HIS   NE2    N   7.759     3.017    7.315    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   640    .   1   1   3    HIS   O      O   6.035     0.187    1.874    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   641    .   1   1   4    TRP   C      C   3.993     -2.197   1.392    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   642    .   1   1   4    TRP   CA     C   5.449     -2.516   1.715    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   643    .   1   1   4    TRP   CB     C   5.625     -4.024   1.901    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   644    .   1   1   4    TRP   CD1    C   7.790     -5.350   1.556    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   645    .   1   1   4    TRP   CD2    C   6.950     -4.455   -0.317   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   646    .   1   1   4    TRP   CE2    C   8.130     -5.153   -0.641   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   647    .   1   1   4    TRP   CE3    C   6.246     -3.810   -1.338   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   648    .   1   1   4    TRP   CG     C   6.750     -4.595   1.094    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   649    .   1   1   4    TRP   CH2    C   7.911     -4.580   -2.923   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   650    .   1   1   4    TRP   CZ2    C   8.620     -5.220   -1.944   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   651    .   1   1   4    TRP   CZ3    C   6.734     -3.879   -2.629   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   652    .   1   1   4    TRP   H      H   5.995     -2.313   3.776    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   653    .   1   1   4    TRP   HA     H   6.068     -2.196   0.877    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   654    .   1   1   4    TRP   HB2    H   5.821     -4.221   2.955    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   655    .   1   1   4    TRP   HB3    H   4.699     -4.523   1.616    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   656    .   1   1   4    TRP   HD1    H   7.936     -5.639   2.587    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   657    .   1   1   4    TRP   HE1    H   9.465     -6.243   0.598    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   658    .   1   1   4    TRP   HE3    H   5.338     -3.268   -1.122   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   659    .   1   1   4    TRP   HH2    H   8.265     -4.616   -3.942   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   660    .   1   1   4    TRP   HZ2    H   9.528     -5.758   -2.172   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   661    .   1   1   4    TRP   HZ3    H   6.199     -3.384   -3.426   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   662    .   1   1   4    TRP   N      N   5.886     -1.804   2.910    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   663    .   1   1   4    TRP   NE1    N   8.625     -5.689   0.519    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   664    .   1   1   4    TRP   O      O   3.698     -1.538   0.396    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   665    .   1   1   5    ALA   C      C   0.969     -2.142   3.376    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   666    .   1   1   5    ALA   CA     C   1.663     -2.430   2.050    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   667    .   1   1   5    ALA   CB     C   1.016     -3.624   1.363    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   668    .   1   1   5    ALA   H      H   3.393     -3.204   3.042    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   669    .   1   1   5    ALA   HA     H   1.545     -1.559   1.405    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   670    .   1   1   5    ALA   HB1    H   1.538     -4.536   1.652    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   671    .   1   1   5    ALA   HB2    H   -0.029    -3.694   1.663    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   672    .   1   1   5    ALA   HB3    H   1.076     -3.498   0.282    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   673    .   1   1   5    ALA   N      N   3.086     -2.668   2.242    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   674    .   1   1   5    ALA   O      O   0.535     -3.058   4.074    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   675    .   1   1   6    VAL   C      C   -1.180    -1.034   5.074    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   676    .   1   1   6    VAL   CA     C   0.223     -0.451   4.963    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   677    .   1   1   6    VAL   CB     C   0.143     1.081    5.072    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   678    .   1   1   6    VAL   CG1    C   -0.574    1.668    3.866    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   679    .   1   1   6    VAL   CG2    C   -0.553    1.486    6.364    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   680    .   1   1   6    VAL   H      H   1.241     -0.155   3.102    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   681    .   1   1   6    VAL   HA     H   0.818     -0.824   5.797    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   682    .   1   1   6    VAL   HB     H   1.158     1.476    5.092    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   683    .   1   1   6    VAL   HG11   H   -0.059    1.365    2.954    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   684    .   1   1   6    VAL   HG12   H   -0.575    2.756    3.938    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   685    .   1   1   6    VAL   HG13   H   -1.601    1.304    3.841    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   686    .   1   1   6    VAL   HG21   H   -0.602    2.573    6.426    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   687    .   1   1   6    VAL   HG22   H   -1.563    1.076    6.376    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   688    .   1   1   6    VAL   HG23   H   0.007     1.099    7.215    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   689    .   1   1   6    VAL   N      N   0.865     -0.861   3.719    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   690    .   1   1   6    VAL   O      O   -1.655    -1.332   6.169    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   691    .   1   1   7    GLY   C      C   -4.021    -1.204   2.775    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   692    .   1   1   7    GLY   CA     C   -3.186    -1.740   3.921    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   693    .   1   1   7    GLY   H      H   -1.404    -0.930   3.060    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   694    .   1   1   7    GLY   HA2    H   -3.121    -2.824   3.829    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   695    .   1   1   7    GLY   HA3    H   -3.676    -1.493   4.863    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   696    .   1   1   7    GLY   N      N   -1.842    -1.193   3.931    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   697    .   1   1   7    GLY   O      O   -5.031    -1.801   2.400    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   698    .   1   1   8    HIS   C      C   -3.362    0.912    -0.021   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   699    .   1   1   8    HIS   CA     C   -4.320    0.545    1.109    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   700    .   1   1   8    HIS   CB     C   -5.063    1.794    1.587    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   701    .   1   1   8    HIS   CD2    C   -5.615    3.701    -0.089   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   702    .   1   1   8    HIS   CE1    C   -7.378    2.790    -1.010   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   703    .   1   1   8    HIS   CG     C   -5.832    2.488    0.495    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   704    .   1   1   8    HIS   H      H   -2.766    0.371    2.572    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   705    .   1   1   8    HIS   HA     H   -5.050    -0.169   0.728    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   706    .   1   1   8    HIS   HB2    H   -5.764    1.501    2.369    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   707    .   1   1   8    HIS   HB3    H   -4.341    2.494    2.007    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   708    .   1   1   8    HIS   HD2    H   -4.821    4.395    0.147    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   709    .   1   1   8    HIS   HE1    H   -8.239    2.635    -1.644   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   710    .   1   1   8    HIS   HE2    H   -6.719    4.676    -1.645   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   711    .   1   1   8    HIS   N      N   -3.602    -0.072   2.219    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   712    .   1   1   8    HIS   ND1    N   -6.949    1.927    -0.100   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   713    .   1   1   8    HIS   NE2    N   -6.604    3.875    -1.040   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   714    .   1   1   8    HIS   O      O   -2.978    2.072    -0.170   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   715    .   1   1   9    LEU   C      C   -2.789    -0.033   -3.264   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   716    .   1   1   9    LEU   CA     C   -2.068    0.134    -1.929   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   717    .   1   1   9    LEU   CB     C   -0.892    -0.840   -1.848   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   718    .   1   1   9    LEU   CD1    C   -0.047    -3.082   -2.585   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   719    .   1   1   9    LEU   CD2    C   -1.660    -2.920   -0.680   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   720    .   1   1   9    LEU   CG     C   -1.233    -2.321   -2.013   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   721    .   1   1   9    LEU   H      H   -3.335    -1.014   -0.640   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   722    .   1   1   9    LEU   HA     H   -1.682    1.151    -1.868   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   723    .   1   1   9    LEU   HB2    H   -0.183    -0.572   -2.632   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   724    .   1   1   9    LEU   HB3    H   -0.402    -0.706   -0.883   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   725    .   1   1   9    LEU   HD11   H   0.245     -2.640   -3.537   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   726    .   1   1   9    LEU   HD12   H   -0.325    -4.125   -2.739   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   727    .   1   1   9    LEU   HD13   H   0.790     -3.028   -1.888   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   728    .   1   1   9    LEU   HD21   H   -2.747    -3.002   -0.650   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   729    .   1   1   9    LEU   HD22   H   -1.218    -3.909   -0.568   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   730    .   1   1   9    LEU   HD23   H   -1.322    -2.277   0.132    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   731    .   1   1   9    LEU   HG     H   -2.065    -2.406   -2.711   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   732    .   1   1   9    LEU   N      N   -2.982    -0.084   -0.814   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   733    .   1   1   9    LEU   O      O   -2.389    0.547    -4.273   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   734    .   1   1   10   MET   C      C   -5.881    -0.191   -4.494   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   735    .   1   1   10   MET   CA     C   -4.633    -1.067   -4.469   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   736    .   1   1   10   MET   CB     C   -5.030    -2.542   -4.562   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   737    .   1   1   10   MET   CE     C   -4.058    -4.762   -7.174   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   738    .   1   1   10   MET   CG     C   -5.674    -2.916   -5.887   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   739    .   1   1   10   MET   H      H   -4.132    -1.277   -2.397   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   740    .   1   1   10   MET   HA     H   -4.017    -0.819   -5.333   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   741    .   1   1   10   MET   HB2    H   -4.134    -3.149   -4.431   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   742    .   1   1   10   MET   HB3    H   -5.728    -2.769   -3.756   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   743    .   1   1   10   MET   HE1    H   -3.861    -5.794   -7.461   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   744    .   1   1   10   MET   HE2    H   -4.153    -4.147   -8.069   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   745    .   1   1   10   MET   HE3    H   -3.233    -4.391   -6.565   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   746    .   1   1   10   MET   HG2    H   -6.723    -2.622   -5.861   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   747    .   1   1   10   MET   HG3    H   -5.174    -2.372   -6.689   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   748    .   1   1   10   MET   N      N   -3.855    -0.828   -3.259   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   749    .   1   1   10   MET   O      O   -6.553    -0.078   -5.520   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   5    .   750    .   1   1   10   MET   SD     S   -5.578    -4.682   -6.232   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   751    .   1   1   1    GLY   C      C   9.440     -2.012   5.632    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   752    .   1   1   1    GLY   CA     C   9.598     -3.517   5.717    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   753    .   1   1   1    GLY   H1     H   8.656     -5.149   6.465    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   754    .   1   1   1    GLY   H2     H   8.468     -3.788   7.378    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   755    .   1   1   1    GLY   H3     H   7.634     -3.955   5.965    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   756    .   1   1   1    GLY   HA2    H   10.532    -3.743   6.231    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   757    .   1   1   1    GLY   HA3    H   9.641     -3.926   4.707    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   758    .   1   1   1    GLY   N      N   8.506     -4.151   6.436    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   759    .   1   1   1    GLY   O      O   8.996     -1.372   6.584    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   760    .   1   1   2    ASN   C      C   8.429     0.349    3.523    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   761    .   1   1   2    ASN   CA     C   9.704     -0.004   4.282    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   762    .   1   1   2    ASN   CB     C   10.925    0.509    3.516    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   763    .   1   1   2    ASN   CG     C   12.164    0.586    4.387    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   764    .   1   1   2    ASN   H      H   10.163    -2.025   3.741    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   765    .   1   1   2    ASN   HA     H   9.676     0.484    5.256    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   766    .   1   1   2    ASN   HB2    H   11.125    -0.166   2.683    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   767    .   1   1   2    ASN   HB3    H   10.706    1.501    3.123    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   768    .   1   1   2    ASN   HD21   H   12.810    -1.208   3.684    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   769    .   1   1   2    ASN   HD22   H   13.852    -0.440   4.861    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   770    .   1   1   2    ASN   N      N   9.806     -1.445   4.487    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   771    .   1   1   2    ASN   ND2    N   13.010    -0.436   4.304    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   772    .   1   1   2    ASN   O      O   8.449     0.537    2.306    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   773    .   1   1   2    ASN   OD1    O   12.358    1.551    5.125    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   774    .   1   1   3    HIS   C      C   5.677     -0.227   2.546    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   775    .   1   1   3    HIS   CA     C   6.034     0.769    3.646    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   776    .   1   1   3    HIS   CB     C   6.068     2.188    3.077    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   777    .   1   1   3    HIS   CD2    C   7.230     4.018    4.505    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   778    .   1   1   3    HIS   CE1    C   5.507     4.576    5.737    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   779    .   1   1   3    HIS   CG     C   6.165     3.255    4.132    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   780    .   1   1   3    HIS   H      H   7.369     0.270    5.245    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   781    .   1   1   3    HIS   HA     H   5.266     0.723    4.418    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   782    .   1   1   3    HIS   HB2    H   6.932     2.274    2.418    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   783    .   1   1   3    HIS   HB3    H   5.163     2.353    2.492    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   784    .   1   1   3    HIS   HD2    H   8.225     3.980    4.085    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   785    .   1   1   3    HIS   HE1    H   4.891     5.068    6.475    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   786    .   1   1   3    HIS   HE2    H   7.354     5.536    6.012    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   787    .   1   1   3    HIS   N      N   7.320     0.437    4.250    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   788    .   1   1   3    HIS   ND1    N   5.087     3.621    4.921    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   789    .   1   1   3    HIS   NE2    N   6.798     4.850    5.522    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   790    .   1   1   3    HIS   O      O   5.125     0.149    1.512    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   791    .   1   1   4    TRP   C      C   4.212     -2.660   1.553    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   792    .   1   1   4    TRP   CA     C   5.710     -2.543   1.804    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   793    .   1   1   4    TRP   CB     C   6.265     -3.885   2.291    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   794    .   1   1   4    TRP   CD1    C   8.570     -4.920   1.861    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   795    .   1   1   4    TRP   CD2    C   7.393     -4.489   0.004    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   796    .   1   1   4    TRP   CE2    C   8.630     -5.052   -0.368   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   797    .   1   1   4    TRP   CE3    C   6.485     -4.137   -0.997   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   798    .   1   1   4    TRP   CG     C   7.375     -4.414   1.434    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   799    .   1   1   4    TRP   CH2    C   8.071     -4.914   -2.658   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   800    .   1   1   4    TRP   CZ2    C   8.980     -5.268   -1.697   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   801    .   1   1   4    TRP   CZ3    C   6.833     -4.353   -2.317   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   802    .   1   1   4    TRP   H      H   6.450     -1.739   3.645    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   803    .   1   1   4    TRP   HA     H   6.200     -2.287   0.864    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   804    .   1   1   4    TRP   HB2    H   6.643     -3.755   3.305    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   805    .   1   1   4    TRP   HB3    H   5.455     -4.614   2.308    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   806    .   1   1   4    TRP   HD1    H   8.872     -5.005   2.894    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   807    .   1   1   4    TRP   HE1    H   10.255    -5.709   0.832    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   808    .   1   1   4    TRP   HE3    H   5.528     -3.705   -0.745   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   809    .   1   1   4    TRP   HH2    H   8.313     -5.070   -3.699   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   810    .   1   1   4    TRP   HZ2    H   9.934     -5.699   -1.962   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   811    .   1   1   4    TRP   HZ3    H   6.139     -4.084   -3.099   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   812    .   1   1   4    TRP   N      N   5.997     -1.495   2.776    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   813    .   1   1   4    TRP   NE1    N   9.330     -5.305   0.783    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   814    .   1   1   4    TRP   O      O   3.741     -2.447   0.437    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   815    .   1   1   5    ALA   C      C   1.337     -2.816   3.819    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   816    .   1   1   5    ALA   CA     C   2.019     -3.141   2.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   817    .   1   1   5    ALA   CB     C   1.660     -4.550   2.046    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   818    .   1   1   5    ALA   H      H   3.913     -3.163   3.491    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   819    .   1   1   5    ALA   HA     H   1.659     -2.440   1.741    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   820    .   1   1   5    ALA   HB1    H   0.577     -4.643   1.971    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   821    .   1   1   5    ALA   HB2    H   2.110     -4.747   1.073    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   822    .   1   1   5    ALA   HB3    H   2.037     -5.270   2.772    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   823    .   1   1   5    ALA   N      N   3.466     -2.999   2.600    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   824    .   1   1   5    ALA   O      O   1.384     -3.603   4.762    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   825    .   1   1   6    VAL   C      C   -1.487    -1.467   4.981    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   826    .   1   1   6    VAL   CA     C   0.011     -1.217   5.090    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   827    .   1   1   6    VAL   CB     C   0.254     0.276    5.373    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   828    .   1   1   6    VAL   CG1    C   -0.405    1.137    4.305    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   829    .   1   1   6    VAL   CG2    C   -0.258    0.646    6.757    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   830    .   1   1   6    VAL   H      H   0.705     -1.044   3.072    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   831    .   1   1   6    VAL   HA     H   0.395     -1.793   5.931    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   832    .   1   1   6    VAL   HB     H   1.328     0.459    5.346    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   833    .   1   1   6    VAL   HG11   H   0.030     2.136    4.323    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   834    .   1   1   6    VAL   HG12   H   -0.243    0.688    3.325    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   835    .   1   1   6    VAL   HG13   H   -1.475    1.203    4.501    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   836    .   1   1   6    VAL   HG21   H   0.227     0.018    7.504    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   837    .   1   1   6    VAL   HG22   H   -0.032    1.693    6.961    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   838    .   1   1   6    VAL   HG23   H   -1.337    0.493    6.798    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   839    .   1   1   6    VAL   N      N   0.705     -1.648   3.882    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   840    .   1   1   6    VAL   O      O   -2.166    -1.687   5.986    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   841    .   1   1   7    GLY   C      C   -4.015    -0.678   2.544    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   842    .   1   1   7    GLY   CA     C   -3.419    -1.656   3.539    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   843    .   1   1   7    GLY   H      H   -1.400    -1.245   2.968    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   844    .   1   1   7    GLY   HA2    H   -3.564    -2.670   3.169    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   845    .   1   1   7    GLY   HA3    H   -3.940    -1.548   4.490    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   846    .   1   1   7    GLY   N      N   -2.002    -1.431   3.757    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   847    .   1   1   7    GLY   O      O   -5.077    -0.932   1.976    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   848    .   1   1   8    HIS   C      C   -3.151    1.281    0.032    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   849    .   1   1   8    HIS   CA     C   -3.800    1.460    1.402    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   850    .   1   1   8    HIS   CB     C   -3.498    2.856    1.944    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   851    .   1   1   8    HIS   CD2    C   -5.726    3.195    3.236    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   852    .   1   1   8    HIS   CE1    C   -4.882    4.042    5.071    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   853    .   1   1   8    HIS   CG     C   -4.372    3.262    3.101    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   854    .   1   1   8    HIS   H      H   -2.466    0.590    2.834    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   855    .   1   1   8    HIS   HA     H   -4.879    1.357    1.290    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   856    .   1   1   8    HIS   HB2    H   -2.460    2.879    2.274    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   857    .   1   1   8    HIS   HB3    H   -3.626    3.579    1.139    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   858    .   1   1   8    HIS   HD2    H   -6.427    2.824    2.503    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   859    .   1   1   8    HIS   HE1    H   -4.798    4.465    6.061    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   860    .   1   1   8    HIS   HE2    H   -6.956    3.777    4.892    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   861    .   1   1   8    HIS   N      N   -3.331    0.441    2.335    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   862    .   1   1   8    HIS   ND1    N   -3.855    3.798    4.268    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   863    .   1   1   8    HIS   NE2    N   -6.033    3.693    4.490    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   864    .   1   1   8    HIS   O      O   -2.652    2.240    -0.559   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   865    .   1   1   9    LEU   C      C   -3.587    -0.949   -2.673   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   866    .   1   1   9    LEU   CA     C   -2.574    -0.252   -1.767   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   867    .   1   1   9    LEU   CB     C   -1.336    -1.134   -1.595   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   868    .   1   1   9    LEU   CD1    C   0.312     0.509    -2.526   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   869    .   1   1   9    LEU   CD2    C   -0.084    0.402    -0.059   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   870    .   1   1   9    LEU   CG     C   -0.018    -0.399   -1.352   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   871    .   1   1   9    LEU   H      H   -3.586    -0.693   0.067    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   872    .   1   1   9    LEU   HA     H   -2.272    0.683    -2.238   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   873    .   1   1   9    LEU   HB2    H   -1.512    -1.794   -0.745   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   874    .   1   1   9    LEU   HB3    H   -1.226    -1.748   -2.489   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   875    .   1   1   9    LEU   HD11   H   0.355     -0.081   -3.442   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   876    .   1   1   9    LEU   HD12   H   -0.461    1.273    -2.623   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   877    .   1   1   9    LEU   HD13   H   1.276     0.988    -2.356   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   878    .   1   1   9    LEU   HD21   H   0.900     0.420    0.409    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   879    .   1   1   9    LEU   HD22   H   -0.401    1.421    -0.279   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   880    .   1   1   9    LEU   HD23   H   -0.800    -0.063   0.619    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   881    .   1   1   9    LEU   HG     H   0.777     -1.139   -1.257   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   882    .   1   1   9    LEU   N      N   -3.161    0.051    -0.467   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   883    .   1   1   9    LEU   O      O   -4.593    -1.478   -2.202   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   884    .   1   1   10   MET   C      C   -3.574    -2.861   -5.487   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   885    .   1   1   10   MET   CA     C   -4.195    -1.579   -4.943   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   886    .   1   1   10   MET   CB     C   -4.498    -0.616   -6.092   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   887    .   1   1   10   MET   CE     C   -8.126    -0.304   -7.477   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   888    .   1   1   10   MET   CG     C   -5.517    -1.155   -7.083   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   889    .   1   1   10   MET   H      H   -2.468    -0.490   -4.295   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   890    .   1   1   10   MET   HA     H   -5.132    -1.831   -4.446   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   891    .   1   1   10   MET   HB2    H   -4.874    0.319    -5.677   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   892    .   1   1   10   MET   HB3    H   -3.570    -0.415   -6.627   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   893    .   1   1   10   MET   HE1    H   -8.821    0.413    -7.914   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   894    .   1   1   10   MET   HE2    H   -8.341    -1.300   -7.864   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   895    .   1   1   10   MET   HE3    H   -8.237    -0.304   -6.393   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   896    .   1   1   10   MET   HG2    H   -4.998    -1.747   -7.837   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   897    .   1   1   10   MET   HG3    H   -6.217    -1.798   -6.549   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   898    .   1   1   10   MET   N      N   -3.311    -0.944   -3.972   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   899    .   1   1   10   MET   O      O   -4.284    -3.782   -5.895   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   6    .   900    .   1   1   10   MET   SD     S   -6.447    0.153    -7.905   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   901    .   1   1   1    GLY   C      C   11.173    -1.540   2.885    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   902    .   1   1   1    GLY   CA     C   11.868    -0.660   1.865    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   903    .   1   1   1    GLY   H1     H   11.551    1.016    0.770    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   904    .   1   1   1    GLY   H2     H   10.193    0.117    1.031    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   905    .   1   1   1    GLY   H3     H   10.822    1.032    2.250    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   906    .   1   1   1    GLY   HA2    H   12.118    -1.261   0.991    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   907    .   1   1   1    GLY   HA3    H   12.787    -0.274   2.305    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   908    .   1   1   1    GLY   N      N   11.046    0.462    1.447    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   909    .   1   1   1    GLY   O      O   10.920    -2.716   2.630    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   910    .   1   1   2    ASN   C      C   8.680     -1.660   4.937    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   911    .   1   1   2    ASN   CA     C   10.196    -1.709   5.109    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   912    .   1   1   2    ASN   CB     C   10.585    -1.143   6.475    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   913    .   1   1   2    ASN   CG     C   12.087    -1.087   6.673    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   914    .   1   1   2    ASN   H      H   11.097    0.004    4.194    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   915    .   1   1   2    ASN   HA     H   10.518    -2.749   5.061    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   916    .   1   1   2    ASN   HB2    H   10.177    -0.136   6.571    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   917    .   1   1   2    ASN   HB3    H   10.153    -1.775   7.251    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   918    .   1   1   2    ASN   HD21   H   11.873    0.254    8.183    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   919    .   1   1   2    ASN   HD22   H   13.520    -0.202   7.808    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   920    .   1   1   2    ASN   N      N   10.864    -0.967   4.046    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   921    .   1   1   2    ASN   ND2    N   12.529    -0.281   7.631    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   922    .   1   1   2    ASN   O      O   8.003     -2.686   5.007    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   923    .   1   1   2    ASN   OD1    O   12.842    -1.760   5.971    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   924    .   1   1   3    HIS   C      C   6.280     -0.764   3.153    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   925    .   1   1   3    HIS   CA     C   6.720     -0.276   4.530    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   926    .   1   1   3    HIS   CB     C   6.346     1.195    4.706    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   927    .   1   1   3    HIS   CD2    C   6.497     0.958    7.287    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   928    .   1   1   3    HIS   CE1    C   6.411     3.087    7.788    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   929    .   1   1   3    HIS   CG     C   6.397     1.671    6.130    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   930    .   1   1   3    HIS   H      H   8.766     0.344    4.666    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   931    .   1   1   3    HIS   HA     H   6.197     -0.859   5.288    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   932    .   1   1   3    HIS   HB2    H   7.039     1.797    4.118    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   933    .   1   1   3    HIS   HB3    H   5.338     1.347    4.322    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   934    .   1   1   3    HIS   HD2    H   6.559     -0.117   7.375    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   935    .   1   1   3    HIS   HE1    H   6.393     4.007    8.353    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   936    .   1   1   3    HIS   HE2    H   6.569     1.653    9.312    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   937    .   1   1   3    HIS   N      N   8.156     -0.460   4.712    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   938    .   1   1   3    HIS   ND1    N   6.345     3.014    6.467    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   939    .   1   1   3    HIS   NE2    N   6.505     1.869    8.327    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   940    .   1   1   3    HIS   O      O   6.161     0.023    2.213    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   941    .   1   1   4    TRP   C      C   4.184     -2.264   1.444    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   942    .   1   1   4    TRP   CA     C   5.619     -2.660   1.777    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   943    .   1   1   4    TRP   CB     C   5.738     -4.184   1.840    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   944    .   1   1   4    TRP   CD1    C   7.896     -5.526   1.508    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   945    .   1   1   4    TRP   CD2    C   7.163     -4.491   -0.338   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   946    .   1   1   4    TRP   CE2    C   8.346     -5.188   -0.652   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   947    .   1   1   4    TRP   CE3    C   6.521     -3.765   -1.345   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   948    .   1   1   4    TRP   CG     C   6.893     -4.721   1.050    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   949    .   1   1   4    TRP   CH2    C   8.248     -4.458   -2.897   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   950    .   1   1   4    TRP   CZ2    C   8.899     -5.178   -1.931   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   951    .   1   1   4    TRP   CZ3    C   7.071     -3.756   -2.613   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   952    .   1   1   4    TRP   H      H   6.163     -2.660   3.847    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   953    .   1   1   4    TRP   HA     H   6.271     -2.294   0.984    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   954    .   1   1   4    TRP   HB2    H   5.854     -4.485   2.881    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   955    .   1   1   4    TRP   HB3    H   4.819     -4.619   1.448    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   956    .   1   1   4    TRP   HD1    H   7.985     -5.886   2.522    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   957    .   1   1   4    TRP   HE1    H   9.601     -6.384   0.572    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   958    .   1   1   4    TRP   HE3    H   5.612     -3.221   -1.136   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   959    .   1   1   4    TRP   HH2    H   8.651     -4.432   -3.898   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   960    .   1   1   4    TRP   HZ2    H   9.807     -5.718   -2.153   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   961    .   1   1   4    TRP   HZ3    H   6.583     -3.198   -3.398   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   962    .   1   1   4    TRP   N      N   6.044     -2.066   3.039    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   963    .   1   1   4    TRP   NE1    N   8.775     -5.810   0.490    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   964    .   1   1   4    TRP   O      O   3.942     -1.502   0.510    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   965    .   1   1   5    ALA   C      C   1.162     -2.029   3.301    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   966    .   1   1   5    ALA   CA     C   1.826     -2.483   2.006    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   967    .   1   1   5    ALA   CB     C   1.106     -3.698   1.438    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   968    .   1   1   5    ALA   H      H   3.500     -3.405   2.970    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   969    .   1   1   5    ALA   HA     H   1.755     -1.672   1.281    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   970    .   1   1   5    ALA   HB1    H   0.054     -3.458   1.285    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   971    .   1   1   5    ALA   HB2    H   1.558     -3.975   0.485    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   972    .   1   1   5    ALA   HB3    H   1.192     -4.530   2.136    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   973    .   1   1   5    ALA   N      N   3.236     -2.785   2.217    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   974    .   1   1   5    ALA   O      O   0.672     -2.847   4.079    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   975    .   1   1   6    VAL   C      C   -0.893    -0.637   4.896    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   976    .   1   1   6    VAL   CA     C   0.543     -0.155   4.728    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   977    .   1   1   6    VAL   CB     C   0.559     1.383    4.693    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   978    .   1   1   6    VAL   CG1    C   -0.130    1.898    3.439    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   979    .   1   1   6    VAL   CG2    C   -0.102    1.949    5.942    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   980    .   1   1   6    VAL   H      H   1.568     -0.099   2.848    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   981    .   1   1   6    VAL   HA     H   1.120     -0.486   5.591    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   982    .   1   1   6    VAL   HB     H   1.597     1.714    4.674    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   983    .   1   1   6    VAL   HG11   H   0.280     2.872    3.172    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   984    .   1   1   6    VAL   HG12   H   0.036     1.197    2.620    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   985    .   1   1   6    VAL   HG13   H   -1.200    1.992    3.624    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   986    .   1   1   6    VAL   HG21   H   0.407     1.568    6.828    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   987    .   1   1   6    VAL   HG22   H   -1.149    1.648    5.967    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   988    .   1   1   6    VAL   HG23   H   -0.037    3.037    5.926    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   989    .   1   1   6    VAL   N      N   1.149     -0.719   3.526    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   990    .   1   1   6    VAL   O      O   -1.359    -0.851   6.014    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   991    .   1   1   7    GLY   C      C   -3.648    -1.185   2.468    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   992    .   1   1   7    GLY   CA     C   -2.967    -1.258   3.822    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   993    .   1   1   7    GLY   H      H   -1.159    -0.609   2.886    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   994    .   1   1   7    GLY   HA2    H   -2.982    -2.293   4.165    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   995    .   1   1   7    GLY   HA3    H   -3.522    -0.642   4.531    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   996    .   1   1   7    GLY   N      N   -1.592    -0.803   3.778    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   997    .   1   1   7    GLY   O      O   -3.377    -1.998   1.585    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   998    .   1   1   8    HIS   C      C   -4.746    1.194    0.298    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   999    .   1   1   8    HIS   CA     C   -5.256    -0.032   1.050    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1000   .   1   1   8    HIS   CB     C   -6.757    0.106    1.313    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1001   .   1   1   8    HIS   CD2    C   -7.419    2.575    1.770    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1002   .   1   1   8    HIS   CE1    C   -7.513    2.460    3.954    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1003   .   1   1   8    HIS   CG     C   -7.113    1.303    2.151    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1004   .   1   1   8    HIS   H      H   -4.713    0.428    3.070    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1005   .   1   1   8    HIS   HA     H   -5.092    -0.912   0.430    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1006   .   1   1   8    HIS   HB2    H   -7.268    0.191    0.354    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1007   .   1   1   8    HIS   HB3    H   -7.108    -0.794   1.819    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1008   .   1   1   8    HIS   HD2    H   -7.458    2.951    0.758    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1009   .   1   1   8    HIS   HE1    H   -7.643    2.734    4.991    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1010   .   1   1   8    HIS   HE2    H   -7.924    4.272    2.978    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1011   .   1   1   8    HIS   N      N   -4.535    -0.208   2.306    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1012   .   1   1   8    HIS   ND1    N   -7.177    1.250    3.533    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1013   .   1   1   8    HIS   NE2    N   -7.669    3.296    2.925    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1014   .   1   1   8    HIS   O      O   -5.485    1.819    -0.464   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1015   .   1   1   9    LEU   C      C   -2.350    2.308    -1.524   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1016   .   1   1   9    LEU   CA     C   -2.872    2.683    -0.140   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1017   .   1   1   9    LEU   CB     C   -1.732    3.239    0.713    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1018   .   1   1   9    LEU   CD1    C   -2.357    5.666    0.793    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1019   .   1   1   9    LEU   CD2    C   0.031     4.982    1.088    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1020   .   1   1   9    LEU   CG     C   -1.284    4.665    0.391    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1021   .   1   1   9    LEU   H      H   -2.927    0.978    1.154    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1022   .   1   1   9    LEU   HA     H   -3.629    3.459    -0.254   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1023   .   1   1   9    LEU   HB2    H   -2.054    3.218    1.754    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1024   .   1   1   9    LEU   HB3    H   -0.871    2.577    0.608    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1025   .   1   1   9    LEU   HD11   H   -3.290    5.423    0.285    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1026   .   1   1   9    LEU   HD12   H   -2.041    6.670    0.512    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1027   .   1   1   9    LEU   HD13   H   -2.509    5.622    1.872    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1028   .   1   1   9    LEU   HD21   H   0.787     4.256    0.788    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1029   .   1   1   9    LEU   HD22   H   -0.110    4.935    2.168    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1030   .   1   1   9    LEU   HD23   H   0.358     5.984    0.808    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1031   .   1   1   9    LEU   HG     H   -1.129    4.741    -0.686   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1032   .   1   1   9    LEU   N      N   -3.481    1.532    0.517    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1033   .   1   1   9    LEU   O      O   -1.463    1.465    -1.656   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1034   .   1   1   10   MET   C      C   -1.046    3.104    -4.151   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1035   .   1   1   10   MET   CA     C   -2.492    2.676    -3.926   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1036   .   1   1   10   MET   CB     C   -3.411    3.406    -4.906   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1037   .   1   1   10   MET   CE     C   -2.630    3.105    -8.970   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1038   .   1   1   10   MET   CG     C   -3.374    2.834    -6.315   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1039   .   1   1   10   MET   H      H   -3.630    3.622    -2.378   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1040   .   1   1   10   MET   HA     H   -2.569    1.605    -4.111   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1041   .   1   1   10   MET   HB2    H   -4.434    3.340    -4.534   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1042   .   1   1   10   MET   HB3    H   -3.119    4.456    -4.945   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1043   .   1   1   10   MET   HE1    H   -1.931    3.491    -9.712   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1044   .   1   1   10   MET   HE2    H   -3.621    3.520    -9.155   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1045   .   1   1   10   MET   HE3    H   -2.672    2.018    -9.042   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1046   .   1   1   10   MET   HG2    H   -3.205    1.759    -6.256   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1047   .   1   1   10   MET   HG3    H   -4.338    3.015    -6.791   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1048   .   1   1   10   MET   N      N   -2.905    2.941    -2.552   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1049   .   1   1   10   MET   O      O   -0.741    4.297    -4.196   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   7    .   1050   .   1   1   10   MET   SD     S   -2.082    3.575    -7.331   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1051   .   1   1   1    GLY   C      C   10.040    1.731    2.777    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1052   .   1   1   1    GLY   CA     C   9.931     3.234    2.618    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1053   .   1   1   1    GLY   H1     H   9.823     4.649    1.172    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1054   .   1   1   1    GLY   H2     H   10.752    3.347    0.769    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1055   .   1   1   1    GLY   H3     H   9.107     3.220    0.767    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1056   .   1   1   1    GLY   HA2    H   10.784    3.704    3.107    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1057   .   1   1   1    GLY   HA3    H   9.015     3.571    3.102    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1058   .   1   1   1    GLY   N      N   9.901     3.644    1.226    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1059   .   1   1   1    GLY   O      O   10.105    0.998    1.790    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1060   .   1   1   2    ASN   C      C   8.787     -0.823   4.257    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1061   .   1   1   2    ASN   CA     C   10.160    -0.159   4.308    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1062   .   1   1   2    ASN   CB     C   10.795    -0.380   5.682    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1063   .   1   1   2    ASN   CG     C   9.974     0.226    6.804    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1064   .   1   1   2    ASN   H      H   9.999     1.921    4.792    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1065   .   1   1   2    ASN   HA     H   10.797    -0.619   3.552    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1066   .   1   1   2    ASN   HB2    H   10.896    -1.451   5.857    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1067   .   1   1   2    ASN   HB3    H   11.785    0.075    5.687    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1068   .   1   1   2    ASN   HD21   H   10.956    1.994    6.611    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1069   .   1   1   2    ASN   HD22   H   9.725     1.948    7.853    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1070   .   1   1   2    ASN   N      N   10.058    1.268    4.023    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1071   .   1   1   2    ASN   ND2    N   10.240    1.491    7.114    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1072   .   1   1   2    ASN   O      O   8.659     -1.976   3.843    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1073   .   1   1   2    ASN   OD1    O   9.111     -0.434   7.384    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1074   .   1   1   3    HIS   C      C   5.884     -0.782   3.255    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1075   .   1   1   3    HIS   CA     C   6.400     -0.605   4.680    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1076   .   1   1   3    HIS   CB     C   5.476     0.331    5.456    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1077   .   1   1   3    HIS   CD2    C   6.096     -0.710   7.753    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1078   .   1   1   3    HIS   CE1    C   5.785     1.075    8.983    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1079   .   1   1   3    HIS   CG     C   5.699     0.312    6.944    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1080   .   1   1   3    HIS   H      H   7.935     0.852    5.006    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1081   .   1   1   3    HIS   HA     H   6.400     -1.578   5.172    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1082   .   1   1   3    HIS   HB2    H   5.625     1.349    5.094    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1083   .   1   1   3    HIS   HB3    H   4.445     0.037    5.259    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1084   .   1   1   3    HIS   HD2    H   6.329     -1.719   7.447    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1085   .   1   1   3    HIS   HE1    H   5.728     1.736    9.836    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1086   .   1   1   3    HIS   HE2    H   6.406     -0.721   9.873    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1087   .   1   1   3    HIS   N      N   7.764     -0.088   4.678    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1088   .   1   1   3    HIS   ND1    N   5.507     1.430    7.738    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1089   .   1   1   3    HIS   NE2    N   6.146     -0.210   9.042    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1090   .   1   1   3    HIS   O      O   5.544     0.191    2.582    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1091   .   1   1   4    TRP   C      C   3.907     -1.900   1.277    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1092   .   1   1   4    TRP   CA     C   5.358     -2.333   1.455    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1093   .   1   1   4    TRP   CB     C   5.496     -3.829   1.169    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1094   .   1   1   4    TRP   CD1    C   7.723     -4.966   0.602    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1095   .   1   1   4    TRP   CD2    C   6.894     -3.693   -1.043   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1096   .   1   1   4    TRP   CE2    C   8.109     -4.257   -1.478   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1097   .   1   1   4    TRP   CE3    C   6.191     -2.854   -1.912   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1098   .   1   1   4    TRP   CG     C   6.665     -4.160   0.290    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1099   .   1   1   4    TRP   CH2    C   7.925     -3.181   -3.574   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1100   .   1   1   4    TRP   CZ2    C   8.635     -4.006   -2.743   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1101   .   1   1   4    TRP   CZ3    C   6.715     -2.607   -3.167   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1102   .   1   1   4    TRP   H      H   6.128     -2.785   3.401    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1103   .   1   1   4    TRP   HA     H   5.972     -1.786   0.739    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1104   .   1   1   4    TRP   HB2    H   5.606     -4.359   2.115    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1105   .   1   1   4    TRP   HB3    H   4.585     -4.172   0.677    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1106   .   1   1   4    TRP   HD1    H   7.854     -5.479   1.544    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1107   .   1   1   4    TRP   HE1    H   9.454     -5.559   -0.477   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1108   .   1   1   4    TRP   HE3    H   5.256     -2.408   -1.609   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1109   .   1   1   4    TRP   HH2    H   8.306     -2.969   -4.562   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1110   .   1   1   4    TRP   HZ2    H   9.569     -4.446   -3.058   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1111   .   1   1   4    TRP   HZ3    H   6.181     -1.959   -3.846   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1112   .   1   1   4    TRP   N      N   5.832     -2.029   2.801    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1113   .   1   1   4    TRP   NE1    N   8.595     -5.030   -0.456   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1114   .   1   1   4    TRP   O      O   3.619     -0.948   0.553    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1115   .   1   1   5    ALA   C      C   0.996     -2.010   3.240    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1116   .   1   1   5    ALA   CA     C   1.577     -2.292   1.859    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1117   .   1   1   5    ALA   CB     C   0.824     -3.432   1.189    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1118   .   1   1   5    ALA   H      H   3.299     -3.378   2.517    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1119   .   1   1   5    ALA   HA     H   1.458     -1.397   1.249    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1120   .   1   1   5    ALA   HB1    H   -0.236    -3.185   1.134    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1121   .   1   1   5    ALA   HB2    H   0.955     -4.345   1.770    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1122   .   1   1   5    ALA   HB3    H   1.215     -3.582   0.182    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1123   .   1   1   5    ALA   N      N   2.998     -2.605   1.941    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1124   .   1   1   5    ALA   O      O   0.539     -2.922   3.930    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1125   .   1   1   6    VAL   C      C   -0.929    -0.863   5.140    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1126   .   1   1   6    VAL   CA     C   0.487     -0.339   4.938    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1127   .   1   1   6    VAL   CB     C   0.487     1.191    5.092    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1128   .   1   1   6    VAL   CG1    C   -0.291    1.842    3.958    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1129   .   1   1   6    VAL   CG2    C   -0.091    1.590    6.441    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1130   .   1   1   6    VAL   H      H   1.402     -0.039   3.024    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1131   .   1   1   6    VAL   HA     H   1.124     -0.762   5.714    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1132   .   1   1   6    VAL   HB     H   1.518     1.540    5.044    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1133   .   1   1   6    VAL   HG11   H   0.092     2.848    3.785    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1134   .   1   1   6    VAL   HG12   H   -0.175    1.249    3.051    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1135   .   1   1   6    VAL   HG13   H   -1.346    1.896    4.224    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1136   .   1   1   6    VAL   HG21   H   -0.084    2.676    6.534    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1137   .   1   1   6    VAL   HG22   H   -1.116    1.226    6.520    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1138   .   1   1   6    VAL   HG23   H   0.512     1.154    7.238    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1139   .   1   1   6    VAL   N      N   1.014     -0.742   3.638    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1140   .   1   1   6    VAL   O      O   -1.315    -1.225   6.251    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1141   .   1   1   7    GLY   C      C   -3.864    -1.085   2.883    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1142   .   1   1   7    GLY   CA     C   -3.070    -1.378   4.141    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1143   .   1   1   7    GLY   H      H   -1.333    -0.589   3.172    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1144   .   1   1   7    GLY   HA2    H   -3.058    -2.455   4.309    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1145   .   1   1   7    GLY   HA3    H   -3.561    -0.894   4.985    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1146   .   1   1   7    GLY   N      N   -1.702    -0.899   4.060    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1147   .   1   1   7    GLY   O      O   -4.734    -1.862   2.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1148   .   1   1   8    HIS   C      C   -3.552    -0.123   -0.206   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1149   .   1   1   8    HIS   CA     C   -4.256    0.438    1.024    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1150   .   1   1   8    HIS   CB     C   -4.339    1.961    0.931    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1151   .   1   1   8    HIS   CD2    C   -6.618    2.000    -0.314   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1152   .   1   1   8    HIS   CE1    C   -6.209    3.700    -1.634   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1153   .   1   1   8    HIS   CG     C   -5.359    2.456    -0.058   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1154   .   1   1   8    HIS   H      H   -2.838    0.641    2.617    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1155   .   1   1   8    HIS   HA     H   -5.269    0.037    1.056    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1156   .   1   1   8    HIS   HB2    H   -4.584    2.359    1.915    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1157   .   1   1   8    HIS   HB3    H   -3.361    2.340    0.633    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1158   .   1   1   8    HIS   HD2    H   -7.112    1.172    0.172    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1159   .   1   1   8    HIS   HE1    H   -6.327    4.464    -2.388   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1160   .   1   1   8    HIS   HE2    H   -8.061    2.716    -1.727   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1161   .   1   1   8    HIS   N      N   -3.563    0.043    2.246    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1162   .   1   1   8    HIS   ND1    N   -5.119    3.528    -0.900   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1163   .   1   1   8    HIS   NE2    N   -7.142    2.799    -1.315   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1164   .   1   1   8    HIS   O      O   -3.221    0.614    -1.136   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1165   .   1   1   9    LEU   C      C   -3.384    -1.813   -2.633   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1166   .   1   1   9    LEU   CA     C   -2.656    -2.094   -1.323   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1167   .   1   1   9    LEU   CB     C   -2.584    -3.601   -1.077   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1168   .   1   1   9    LEU   CD1    C   -4.586    -4.772   -2.026   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1169   .   1   1   9    LEU   CD2    C   -3.681    -5.457   0.203    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1170   .   1   1   9    LEU   CG     C   -3.907    -4.294   -0.753   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1171   .   1   1   9    LEU   H      H   -3.616    -1.983   0.588    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1172   .   1   1   9    LEU   HA     H   -1.641    -1.706   -1.400   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1173   .   1   1   9    LEU   HB2    H   -2.159    -4.072   -1.964   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1174   .   1   1   9    LEU   HB3    H   -1.905    -3.770   -0.241   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1175   .   1   1   9    LEU   HD11   H   -4.740    -3.926   -2.696   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1176   .   1   1   9    LEU   HD12   H   -5.549    -5.218   -1.778   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1177   .   1   1   9    LEU   HD13   H   -3.957    -5.515   -2.516   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1178   .   1   1   9    LEU   HD21   H   -3.194    -5.094   1.108    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1179   .   1   1   9    LEU   HD22   H   -4.639    -5.906   0.461    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1180   .   1   1   9    LEU   HD23   H   -3.047    -6.203   -0.277   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1181   .   1   1   9    LEU   HG     H   -4.562    -3.571   -0.265   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1182   .   1   1   9    LEU   N      N   -3.322    -1.432   -0.206   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1183   .   1   1   9    LEU   O      O   -4.596    -1.604   -2.649   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1184   .   1   1   10   MET   C      C   -4.254    -2.621   -5.394   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1185   .   1   1   10   MET   CA     C   -3.210    -1.565   -5.047   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1186   .   1   1   10   MET   CB     C   -2.112    -1.547   -6.113   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1187   .   1   1   10   MET   CE     C   1.530     0.487    -6.288   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1188   .   1   1   10   MET   CG     C   -0.991    -0.565   -5.814   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1189   .   1   1   10   MET   H      H   -1.644    -1.991   -3.651   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1190   .   1   1   10   MET   HA     H   -3.695    -0.589   -5.034   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1191   .   1   1   10   MET   HB2    H   -1.688    -2.548   -6.196   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1192   .   1   1   10   MET   HB3    H   -2.562    -1.276   -7.068   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1193   .   1   1   10   MET   HE1    H   2.487     0.427    -6.805   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1194   .   1   1   10   MET   HE2    H   1.695     0.445    -5.211   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1195   .   1   1   10   MET   HE3    H   1.036     1.424    -6.544   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1196   .   1   1   10   MET   HG2    H   -1.342    0.443    -6.038   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1197   .   1   1   10   MET   HG3    H   -0.741    -0.625   -4.755   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1198   .   1   1   10   MET   N      N   -2.635    -1.814   -3.731   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1199   .   1   1   10   MET   O      O   -4.641    -2.768   -6.556   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   8    .   1200   .   1   1   10   MET   SD     S   0.494     -0.888   -6.785   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1201   .   1   1   1    GLY   C      C   9.110     3.713    6.103    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1202   .   1   1   1    GLY   CA     C   9.236     4.103    7.563    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1203   .   1   1   1    GLY   H1     H   9.324     5.752    8.738    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1204   .   1   1   1    GLY   H2     H   10.018    5.946    7.254    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1205   .   1   1   1    GLY   H3     H   8.376     5.930    7.400    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1206   .   1   1   1    GLY   HA2    H   10.163    3.691    7.961    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1207   .   1   1   1    GLY   HA3    H   8.395     3.679    8.112    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1208   .   1   1   1    GLY   N      N   9.239     5.542    7.753    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1209   .   1   1   1    GLY   O      O   8.636     4.497    5.282    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1210   .   1   1   2    ASN   C      C   8.720     0.676    4.344    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1211   .   1   1   2    ASN   CA     C   9.471     2.002    4.409    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1212   .   1   1   2    ASN   CB     C   10.880    1.832    3.839    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1213   .   1   1   2    ASN   CG     C   11.801    1.088    4.786    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1214   .   1   1   2    ASN   H      H   9.916     1.898    6.500    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1215   .   1   1   2    ASN   HA     H   8.937     2.734    3.802    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1216   .   1   1   2    ASN   HB2    H   10.814    1.275    2.904    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1217   .   1   1   2    ASN   HB3    H   11.301    2.817    3.635    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1218   .   1   1   2    ASN   HD21   H   11.775    -0.548   3.582    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1219   .   1   1   2    ASN   HD22   H   12.744    -0.694   5.031    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1220   .   1   1   2    ASN   N      N   9.537     2.495    5.779    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1221   .   1   1   2    ASN   ND2    N   12.133    -0.150   4.438    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1222   .   1   1   2    ASN   O      O   9.298     -0.362   4.024    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1223   .   1   1   2    ASN   OD1    O   12.209    1.620    5.819    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1224   .   1   1   3    HIS   C      C   6.164     -0.812   3.197    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1225   .   1   1   3    HIS   CA     C   6.595     -0.479   4.623    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1226   .   1   1   3    HIS   CB     C   5.365     -0.290   5.509    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1227   .   1   1   3    HIS   CD2    C   6.644     -1.159   7.596    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1228   .   1   1   3    HIS   CE1    C   5.324     -0.316   9.127    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1229   .   1   1   3    HIS   CG     C   5.633     -0.487   6.976    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1230   .   1   1   3    HIS   H      H   7.009     1.603    4.902    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1231   .   1   1   3    HIS   HA     H   7.178     -1.313   5.013    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1232   .   1   1   3    HIS   HB2    H   4.975     0.716    5.356    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1233   .   1   1   3    HIS   HB3    H   4.606     -1.009   5.200    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1234   .   1   1   3    HIS   HD2    H   7.455     -1.684   7.114    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1235   .   1   1   3    HIS   HE1    H   4.903     -0.053   10.086   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1236   .   1   1   3    HIS   HE2    H   7.012     -1.428   9.690    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1237   .   1   1   3    HIS   N      N   7.426     0.719    4.648    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1238   .   1   1   3    HIS   ND1    N   4.809     0.038    7.958    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1239   .   1   1   3    HIS   NE2    N   6.434     -1.040   8.959    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1240   .   1   1   3    HIS   O      O   5.971     0.082    2.373    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1241   .   1   1   4    TRP   C      C   4.153     -2.193   1.316    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1242   .   1   1   4    TRP   CA     C   5.610     -2.550   1.589    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1243   .   1   1   4    TRP   CB     C   5.812     -4.062   1.456    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1244   .   1   1   4    TRP   CD1    C   8.038     -5.224   0.952    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1245   .   1   1   4    TRP   CD2    C   7.224     -4.018   -0.751   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1246   .   1   1   4    TRP   CE2    C   8.440     -4.601   -1.154   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1247   .   1   1   4    TRP   CE3    C   6.529     -3.214   -1.658   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1248   .   1   1   4    TRP   CG     C   6.985     -4.430   0.599    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1249   .   1   1   4    TRP   CH2    C   8.273     -3.612   -3.293   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1250   .   1   1   4    TRP   CZ2    C   8.975     -4.404   -2.425   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1251   .   1   1   4    TRP   CZ3    C   7.060     -3.020   -2.917   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1252   .   1   1   4    TRP   H      H   6.189     -2.786   3.637    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1253   .   1   1   4    TRP   HA     H   6.234     -2.051   0.848    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1254   .   1   1   4    TRP   HB2    H   5.965     -4.479   2.451    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1255   .   1   1   4    TRP   HB3    H   4.911     -4.500   1.026    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1256   .   1   1   4    TRP   HD1    H   8.162     -5.699   1.914    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1257   .   1   1   4    TRP   HE1    H   9.777     -5.862   -0.092   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1258   .   1   1   4    TRP   HE3    H   5.593     -2.754   -1.380   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1259   .   1   1   4    TRP   HH2    H   8.661     -3.440   -4.286   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1260   .   1   1   4    TRP   HZ2    H   9.910     -4.859   -2.715   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1261   .   1   1   4    TRP   HZ3    H   6.531     -2.400   -3.626   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1262   .   1   1   4    TRP   N      N   6.016     -2.101   2.916    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1263   .   1   1   4    TRP   NE1    N   8.918     -5.331   -0.098   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1264   .   1   1   4    TRP   O      O   3.859     -1.341   0.480    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1265   .   1   1   5    ALA   C      C   1.147     -2.339   3.207    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1266   .   1   1   5    ALA   CA     C   1.817     -2.602   1.863    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1267   .   1   1   5    ALA   CB     C   1.153     -3.778   1.160    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1268   .   1   1   5    ALA   H      H   3.549     -3.544   2.697    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1269   .   1   1   5    ALA   HA     H   1.694     -1.717   1.239    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1270   .   1   1   5    ALA   HB1    H   0.088     -3.578   1.044    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1271   .   1   1   5    ALA   HB2    H   1.290     -4.681   1.755    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1272   .   1   1   5    ALA   HB3    H   1.606     -3.918   0.178    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1273   .   1   1   5    ALA   N      N   3.244     -2.852   2.027    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1274   .   1   1   5    ALA   O      O   0.724     -3.270   3.894    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1275   .   1   1   6    VAL   C      C   -0.977    -1.241   4.954    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1276   .   1   1   6    VAL   CA     C   0.434     -0.681   4.842    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1277   .   1   1   6    VAL   CB     C   0.382     0.849    4.995    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1278   .   1   1   6    VAL   CG1    C   -0.295    1.232    6.303    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1279   .   1   1   6    VAL   CG2    C   1.781     1.442    4.916    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1280   .   1   1   6    VAL   H      H   1.423     -0.349   2.971    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1281   .   1   1   6    VAL   HA     H   1.031     -1.088   5.657    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1282   .   1   1   6    VAL   HB     H   -0.208    1.255    4.173    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1283   .   1   1   6    VAL   HG11   H   -1.294    0.798    6.337    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1284   .   1   1   6    VAL   HG12   H   0.294     0.856    7.140    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1285   .   1   1   6    VAL   HG13   H   -0.368    2.318    6.371    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1286   .   1   1   6    VAL   HG21   H   2.245     1.156    3.973    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1287   .   1   1   6    VAL   HG22   H   2.381     1.067    5.745    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1288   .   1   1   6    VAL   HG23   H   1.719     2.529    4.976    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1289   .   1   1   6    VAL   N      N   1.054     -1.067   3.578    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1290   .   1   1   6    VAL   O      O   -1.245    -2.118   5.774    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1291   .   1   1   7    GLY   C      C   -4.148    -0.403   3.204    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1292   .   1   1   7    GLY   CA     C   -3.256    -1.191   4.145    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1293   .   1   1   7    GLY   H      H   -1.606    -0.011   3.469    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1294   .   1   1   7    GLY   HA2    H   -3.278    -2.240   3.849    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1295   .   1   1   7    GLY   HA3    H   -3.644    -1.101   5.159    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1296   .   1   1   7    GLY   N      N   -1.880    -0.730   4.123    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1297   .   1   1   7    GLY   O      O   -5.316    -0.160   3.504    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1298   .   1   1   8    HIS   C      C   -4.173    0.172    -0.318   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1299   .   1   1   8    HIS   CA     C   -4.346    0.764    1.078    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1300   .   1   1   8    HIS   CB     C   -3.895    2.225    1.082    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1301   .   1   1   8    HIS   CD2    C   -5.177    3.624    -0.693   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1302   .   1   1   8    HIS   CE1    C   -6.638    4.547    0.649    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1303   .   1   1   8    HIS   CG     C   -4.942    3.180    0.573    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1304   .   1   1   8    HIS   H      H   -2.629    -0.236   1.876    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1305   .   1   1   8    HIS   HA     H   -5.403    0.727    1.342    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1306   .   1   1   8    HIS   HB2    H   -3.629    2.507    2.100    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1307   .   1   1   8    HIS   HB3    H   -3.011    2.315    0.451    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1308   .   1   1   8    HIS   HD2    H   -4.625    3.352    -1.581   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1309   .   1   1   8    HIS   HE1    H   -7.460    5.145    1.014    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1310   .   1   1   8    HIS   HE2    H   -6.672    4.983    -1.401   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1311   .   1   1   8    HIS   N      N   -3.594    -0.003   2.064    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1312   .   1   1   8    HIS   ND1    N   -5.874    3.773    1.408    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1313   .   1   1   8    HIS   NE2    N   -6.254    4.488    -0.627   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1314   .   1   1   8    HIS   O      O   -4.222    0.889    -1.318   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1315   .   1   1   9    LEU   C      C   -5.124    -2.033   -2.356   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1316   .   1   1   9    LEU   CA     C   -3.788    -1.828   -1.650   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1317   .   1   1   9    LEU   CB     C   -3.101    -3.178   -1.429   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1318   .   1   1   9    LEU   CD1    C   -1.757    -3.585   -3.505   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1319   .   1   1   9    LEU   CD2    C   -2.759    -5.516   -2.268   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1320   .   1   1   9    LEU   CG     C   -2.937    -4.058   -2.668   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1321   .   1   1   9    LEU   H      H   -3.939    -1.671   0.481    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1322   .   1   1   9    LEU   HA     H   -3.150    -1.215   -2.287   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1323   .   1   1   9    LEU   HB2    H   -2.108    -2.984   -1.023   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1324   .   1   1   9    LEU   HB3    H   -3.672    -3.734   -0.686   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1325   .   1   1   9    LEU   HD11   H   -1.903    -2.541   -3.781   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1326   .   1   1   9    LEU   HD12   H   -0.839    -3.683   -2.926   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1327   .   1   1   9    LEU   HD13   H   -1.685    -4.193   -4.407   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1328   .   1   1   9    LEU   HD21   H   -3.612    -5.836   -1.670   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1329   .   1   1   9    LEU   HD22   H   -2.691    -6.132   -3.165   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1330   .   1   1   9    LEU   HD23   H   -1.845    -5.623   -1.684   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1331   .   1   1   9    LEU   HG     H   -3.841    -3.976   -3.271   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1332   .   1   1   9    LEU   N      N   -3.969    -1.138   -0.377   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1333   .   1   1   9    LEU   O      O   -6.126    -2.364   -1.722   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1334   .   1   1   10   MET   C      C   -6.910    -3.410   -4.298   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1335   .   1   1   10   MET   CA     C   -6.344    -2.002   -4.461   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1336   .   1   1   10   MET   CB     C   -6.060    -1.721   -5.937   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1337   .   1   1   10   MET   CE     C   -2.877    -2.821   -8.092   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1338   .   1   1   10   MET   CG     C   -5.218    -2.795   -6.608   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1339   .   1   1   10   MET   H      H   -4.274    -1.564   -4.131   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1340   .   1   1   10   MET   HA     H   -7.088    -1.287   -4.109   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1341   .   1   1   10   MET   HB2    H   -7.008    -1.636   -6.467   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1342   .   1   1   10   MET   HB3    H   -5.530    -0.771   -6.012   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1343   .   1   1   10   MET   HE1    H   -2.348    -2.570   -9.011   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1344   .   1   1   10   MET   HE2    H   -2.852    -3.901   -7.942   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1345   .   1   1   10   MET   HE3    H   -2.395    -2.327   -7.249   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1346   .   1   1   10   MET   HG2    H   -4.376    -3.035   -5.959   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1347   .   1   1   10   MET   HG3    H   -5.827    -3.689   -6.743   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1348   .   1   1   10   MET   N      N   -5.130    -1.836   -3.669   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1349   .   1   1   10   MET   O      O   -6.264    -4.288   -3.724   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   9    .   1350   .   1   1   10   MET   SD     S   -4.580    -2.274   -8.213   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1351   .   1   1   1    GLY   C      C   10.466    2.268    1.581    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1352   .   1   1   1    GLY   CA     C   10.346    2.481    0.084    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1353   .   1   1   1    GLY   H1     H   11.510    2.653    -1.565   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1354   .   1   1   1    GLY   H2     H   12.262    3.089    -0.163   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1355   .   1   1   1    GLY   H3     H   12.014    1.495    -0.505   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1356   .   1   1   1    GLY   HA2    H   9.899     3.459    -0.095   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1357   .   1   1   1    GLY   HA3    H   9.694     1.712    -0.332   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1358   .   1   1   1    GLY   N      N   11.631    2.425    -0.588   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1359   .   1   1   1    GLY   O      O   11.519    1.871    2.076    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1360   .   1   1   2    ASN   C      C   8.601     1.120    4.153    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1361   .   1   1   2    ASN   CA     C   9.371     2.374    3.752    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1362   .   1   1   2    ASN   CB     C   8.749     3.604    4.419    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1363   .   1   1   2    ASN   CG     C   9.582     4.854    4.217    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1364   .   1   1   2    ASN   H      H   8.547     2.860    1.837    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1365   .   1   1   2    ASN   HA     H   10.400    2.275    4.098    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1366   .   1   1   2    ASN   HB2    H   7.759     3.770    3.992    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1367   .   1   1   2    ASN   HB3    H   8.647     3.414    5.487    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1368   .   1   1   2    ASN   HD21   H   9.214     5.448    6.124    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1369   .   1   1   2    ASN   HD22   H   10.222    6.523    5.182    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1370   .   1   1   2    ASN   N      N   9.383     2.536    2.303    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1371   .   1   1   2    ASN   ND2    N   9.681     5.674    5.257    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1372   .   1   1   2    ASN   O      O   9.190     0.130    4.590    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1373   .   1   1   2    ASN   OD1    O   10.129    5.082    3.138    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1374   .   1   1   3    HIS   C      C   6.159     -0.833   3.123    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1375   .   1   1   3    HIS   CA     C   6.430     0.035    4.347    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1376   .   1   1   3    HIS   CB     C   5.109     0.525    4.944    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1377   .   1   1   3    HIS   CD2    C   5.267     1.274    7.425    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1378   .   1   1   3    HIS   CE1    C   5.615     3.407    7.072    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1379   .   1   1   3    HIS   CG     C   5.285     1.494    6.081    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1380   .   1   1   3    HIS   H      H   6.857     2.011    3.641    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1381   .   1   1   3    HIS   HA     H   6.944     -0.570   5.094    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1382   .   1   1   3    HIS   HB2    H   4.528     1.007    4.158    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1383   .   1   1   3    HIS   HB3    H   4.555     -0.340   5.310    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1384   .   1   1   3    HIS   HD2    H   5.117     0.325    7.919    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1385   .   1   1   3    HIS   HE1    H   5.792     4.458    7.242    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1386   .   1   1   3    HIS   HE2    H   5.519     2.667    9.033    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1387   .   1   1   3    HIS   N      N   7.281     1.169    4.003    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1388   .   1   1   3    HIS   ND1    N   5.505     2.846    5.878    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1389   .   1   1   3    HIS   NE2    N   5.477     2.496    8.038    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1390   .   1   1   3    HIS   O      O   5.907     -0.323   2.032    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1391   .   1   1   4    TRP   C      C   4.542     -2.976   1.712    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1392   .   1   1   4    TRP   CA     C   5.974     -3.087   2.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1393   .   1   1   4    TRP   CB     C   6.255     -4.518   2.685    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1394   .   1   1   4    TRP   CD1    C   8.518     -5.717   2.765    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1395   .   1   1   4    TRP   CD2    C   7.867     -5.116   0.707    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1396   .   1   1   4    TRP   CE2    C   9.115     -5.760   0.612    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1397   .   1   1   4    TRP   CE3    C   7.258     -4.648   -0.461   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1398   .   1   1   4    TRP   CG     C   7.502     -5.098   2.092    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1399   .   1   1   4    TRP   CH2    C   9.146     -5.480   -1.733   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1400   .   1   1   4    TRP   CZ2    C   9.765     -5.948   -0.604   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1401   .   1   1   4    TRP   CZ3    C   7.905     -4.836   -1.668   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1402   .   1   1   4    TRP   H      H   6.422     -2.503   4.234    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1403   .   1   1   4    TRP   HA     H   6.653     -2.848   1.405    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1404   .   1   1   4    TRP   HB2    H   6.356     -4.517   3.770    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1405   .   1   1   4    TRP   HB3    H   5.409     -5.148   2.411    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1406   .   1   1   4    TRP   HD1    H   8.551     -5.870   3.833    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1407   .   1   1   4    TRP   HE1    H   10.345    -6.597   2.125    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1408   .   1   1   4    TRP   HE3    H   6.301     -4.150   -0.421   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1409   .   1   1   4    TRP   HH2    H   9.625     -5.611   -2.692   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1410   .   1   1   4    TRP   HZ2    H   10.723    -6.444   -0.656   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1411   .   1   1   4    TRP   HZ3    H   7.444     -4.478   -2.577   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1412   .   1   1   4    TRP   N      N   6.212     -2.146   3.313    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1413   .   1   1   4    TRP   NE1    N   9.491     -6.117   1.880    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1414   .   1   1   4    TRP   O      O   4.312     -2.707   0.534    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1415   .   1   1   5    ALA   C      C   1.358     -2.443   3.355    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1416   .   1   1   5    ALA   CA     C   2.172     -3.104   2.248    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1417   .   1   1   5    ALA   CB     C   1.624     -4.490   1.947    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1418   .   1   1   5    ALA   H      H   3.834     -3.400   3.561    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1419   .   1   1   5    ALA   HA     H   2.081     -2.496   1.348    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1420   .   1   1   5    ALA   HB1    H   0.570     -4.415   1.679    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1421   .   1   1   5    ALA   HB2    H   2.179     -4.927   1.116    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1422   .   1   1   5    ALA   HB3    H   1.732     -5.123   2.828    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1423   .   1   1   5    ALA   N      N   3.581     -3.182   2.608    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1424   .   1   1   5    ALA   O      O   0.898     -3.107   4.283    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1425   .   1   1   6    VAL   C      C   -0.955    -0.982   4.453    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1426   .   1   1   6    VAL   CA     C   0.428     -0.375   4.246    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1427   .   1   1   6    VAL   CB     C   0.275     1.099    3.835    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1428   .   1   1   6    VAL   CG1    C   -0.520    1.866    4.882    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1429   .   1   1   6    VAL   CG2    C   1.639     1.738    3.619    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1430   .   1   1   6    VAL   H      H   1.589     -0.639   2.467    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1431   .   1   1   6    VAL   HA     H   0.966     -0.415   5.192    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1432   .   1   1   6    VAL   HB     H   -0.273    1.137    2.894    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1433   .   1   1   6    VAL   HG11   H   -1.492    1.392    5.021    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1434   .   1   1   6    VAL   HG12   H   0.024     1.862    5.827    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1435   .   1   1   6    VAL   HG13   H   -0.662    2.895    4.550    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1436   .   1   1   6    VAL   HG21   H   2.190     1.173    2.867    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1437   .   1   1   6    VAL   HG22   H   2.195     1.732    4.557    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1438   .   1   1   6    VAL   HG23   H   1.509     2.765    3.280    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1439   .   1   1   6    VAL   N      N   1.185     -1.128   3.253    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1440   .   1   1   6    VAL   O      O   -1.297    -1.413   5.555    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1441   .   1   1   7    GLY   C      C   -4.014    -1.015   2.407    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1442   .   1   1   7    GLY   CA     C   -3.088    -1.563   3.475    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1443   .   1   1   7    GLY   H      H   -1.419    -0.639   2.510    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1444   .   1   1   7    GLY   HA2    H   -3.026    -2.646   3.362    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1445   .   1   1   7    GLY   HA3    H   -3.505    -1.334   4.456    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1446   .   1   1   7    GLY   N      N   -1.750    -1.009   3.390    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1447   .   1   1   7    GLY   O      O   -4.373    -1.721   1.464    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1448   .   1   1   8    HIS   C      C   -4.535    1.912    0.750    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1449   .   1   1   8    HIS   CA     C   -5.292    0.890    1.593    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1450   .   1   1   8    HIS   CB     C   -6.454    1.573    2.319    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1451   .   1   1   8    HIS   CD2    C   -8.251    2.950    1.047    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1452   .   1   1   8    HIS   CE1    C   -9.365    1.270    0.191    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1453   .   1   1   8    HIS   CG     C   -7.659    1.789    1.446    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1454   .   1   1   8    HIS   H      H   -4.071    0.775    3.349    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1455   .   1   1   8    HIS   HA     H   -5.698    0.125    0.931    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1456   .   1   1   8    HIS   HB2    H   -6.747    0.950    3.164    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1457   .   1   1   8    HIS   HB3    H   -6.115    2.538    2.694    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1458   .   1   1   8    HIS   HD2    H   -7.937    3.951    1.303    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1459   .   1   1   8    HIS   HE1    H   -10.100   0.701    -0.359   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1460   .   1   1   8    HIS   HE2    H   -9.970    3.242    -0.200   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1461   .   1   1   8    HIS   N      N   -4.402    0.248    2.553    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1462   .   1   1   8    HIS   ND1    N   -8.376    0.740    0.895    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1463   .   1   1   8    HIS   NE2    N   -9.329    2.604    0.251    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1464   .   1   1   8    HIS   O      O   -4.798    3.112    0.825    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1465   .   1   1   9    LEU   C      C   -3.693    3.126    -1.827   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1466   .   1   1   9    LEU   CA     C   -2.798    2.298    -0.912   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1467   .   1   1   9    LEU   CB     C   -1.821    1.469    -1.748   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1468   .   1   1   9    LEU   CD1    C   0.021     -0.231   -1.786   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1469   .   1   1   9    LEU   CD2    C   0.418     2.016    -0.760   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1470   .   1   1   9    LEU   CG     C   -0.605    0.915    -1.005   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1471   .   1   1   9    LEU   H      H   -3.425    0.431    -0.069   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1472   .   1   1   9    LEU   HA     H   -2.225    2.977    -0.281   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1473   .   1   1   9    LEU   HB2    H   -2.367    0.632    -2.183   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1474   .   1   1   9    LEU   HB3    H   -1.458    2.100    -2.558   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1475   .   1   1   9    LEU   HD11   H   -0.724    -1.009   -1.951   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1476   .   1   1   9    LEU   HD12   H   0.380     0.138    -2.746   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1477   .   1   1   9    LEU   HD13   H   0.857     -0.643   -1.219   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1478   .   1   1   9    LEU   HD21   H   -0.048    2.827    -0.200   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1479   .   1   1   9    LEU   HD22   H   1.254     1.615    -0.189   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1480   .   1   1   9    LEU   HD23   H   0.779     2.395    -1.716   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1481   .   1   1   9    LEU   HG     H   -0.936    0.532    -0.039   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1482   .   1   1   9    LEU   N      N   -3.594    1.427    -0.053   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1483   .   1   1   9    LEU   O      O   -4.510    2.583    -2.569   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1484   .   1   1   10   MET   C      C   -3.929    5.225    -4.066   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1485   .   1   1   10   MET   CA     C   -4.322    5.347    -2.598   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1486   .   1   1   10   MET   CB     C   -4.143    6.792    -2.129   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1487   .   1   1   10   MET   CE     C   -7.480    9.007    -1.498   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1488   .   1   1   10   MET   CG     C   -5.271    7.716    -2.560   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1489   .   1   1   10   MET   H      H   -2.843    4.829    -1.138   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1490   .   1   1   10   MET   HA     H   -5.374    5.078    -2.497   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1491   .   1   1   10   MET   HB2    H   -4.090    6.797    -1.040   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1492   .   1   1   10   MET   HB3    H   -3.203    7.176    -2.527   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1493   .   1   1   10   MET   HE1    H   -8.443    8.951    -0.990   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1494   .   1   1   10   MET   HE2    H   -7.610    9.481    -2.470   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1495   .   1   1   10   MET   HE3    H   -6.787    9.595    -0.896   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1496   .   1   1   10   MET   HG2    H   -4.985    8.743    -2.337   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1497   .   1   1   10   MET   HG3    H   -5.418    7.615    -3.636   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1498   .   1   1   10   MET   N      N   -3.531    4.444    -1.770   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1499   .   1   1   10   MET   O      O   -4.596    5.772    -4.946   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   10   .   1500   .   1   1   10   MET   SD     S   -6.825    7.355    -1.722   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1501   .   1   1   1    GLY   C      C   10.700    -0.230   3.351    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1502   .   1   1   1    GLY   CA     C   11.083    0.060    1.913    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1503   .   1   1   1    GLY   H1     H   12.636    -0.171   0.632    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1504   .   1   1   1    GLY   H2     H   12.494    -1.383   1.741    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1505   .   1   1   1    GLY   H3     H   13.089    0.086    2.196    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1506   .   1   1   1    GLY   HA2    H   11.023    1.136    1.746    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1507   .   1   1   1    GLY   HA3    H   10.378    -0.441   1.251    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1508   .   1   1   1    GLY   N      N   12.428    -0.386   1.597    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1509   .   1   1   1    GLY   O      O   10.571    -1.388   3.744    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1510   .   1   1   2    ASN   C      C   8.826     -0.062   5.682    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1511   .   1   1   2    ASN   CA     C   10.152    0.679    5.542    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1512   .   1   1   2    ASN   CB     C   10.054    2.052    6.211    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1513   .   1   1   2    ASN   CG     C   8.973     2.920    5.596    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1514   .   1   1   2    ASN   H      H   10.639    1.753    3.755    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1515   .   1   1   2    ASN   HA     H   10.927    0.102    6.045    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1516   .   1   1   2    ASN   HB2    H   9.837     1.916    7.271    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1517   .   1   1   2    ASN   HB3    H   11.012    2.561    6.108    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1518   .   1   1   2    ASN   HD21   H   7.998     3.023    7.373    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1519   .   1   1   2    ASN   HD22   H   7.247     3.887    6.050    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1520   .   1   1   2    ASN   N      N   10.519    0.826    4.138    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1521   .   1   1   2    ASN   ND2    N   7.995     3.308    6.404    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1522   .   1   1   2    ASN   O      O   8.586     -0.744   6.678    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1523   .   1   1   2    ASN   OD1    O   9.019     3.238    4.407    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1524   .   1   1   3    HIS   C      C   6.215     -0.913   3.265    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1525   .   1   1   3    HIS   CA     C   6.666     -0.581   4.685    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1526   .   1   1   3    HIS   CB     C   5.626     0.307    5.369    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1527   .   1   1   3    HIS   CD2    C   5.512     -0.825   7.703    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1528   .   1   1   3    HIS   CE1    C   5.859     0.962    8.920    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1529   .   1   1   3    HIS   CG     C   5.666     0.243    6.871    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1530   .   1   1   3    HIS   H      H   8.222     0.652    3.887    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1531   .   1   1   3    HIS   HA     H   6.752     -1.511   5.248    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1532   .   1   1   3    HIS   HB2    H   5.801     1.338    5.064    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1533   .   1   1   3    HIS   HB3    H   4.634     0.006    5.032    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1534   .   1   1   3    HIS   HD2    H   5.327     -1.847   7.408    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1535   .   1   1   3    HIS   HE1    H   6.000     1.612    9.771    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1536   .   1   1   3    HIS   HE2    H   5.572     -0.901   9.845    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1537   .   1   1   3    HIS   N      N   7.967     0.077    4.676    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1538   .   1   1   3    HIS   ND1    N   5.884     1.362    7.656    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1539   .   1   1   3    HIS   NE2    N   5.637     -0.353   8.998    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1540   .   1   1   3    HIS   O      O   6.054     -0.024   2.431    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1541   .   1   1   4    TRP   C      C   4.146     -2.210   1.400    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1542   .   1   1   4    TRP   CA     C   5.580     -2.648   1.683    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1543   .   1   1   4    TRP   CB     C   5.690     -4.170   1.578    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1544   .   1   1   4    TRP   CD1    C   7.867     -5.463   1.181    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1545   .   1   1   4    TRP   CD2    C   7.171     -4.269   -0.581   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1546   .   1   1   4    TRP   CE2    C   8.368     -4.926   -0.928   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1547   .   1   1   4    TRP   CE3    C   6.547     -3.459   -1.534   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1548   .   1   1   4    TRP   CG     C   6.870     -4.626   0.772    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1549   .   1   1   4    TRP   CH2    C   8.317     -3.996   -3.099   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1550   .   1   1   4    TRP   CZ2    C   8.950     -4.797   -2.186   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1551   .   1   1   4    TRP   CZ3    C   7.126     -3.331   -2.782   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1552   .   1   1   4    TRP   H      H   6.160     -2.882   3.730    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1553   .   1   1   4    TRP   HA     H   6.233     -2.201   0.933    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1554   .   1   1   4    TRP   HB2    H   5.780     -4.580   2.584    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1555   .   1   1   4    TRP   HB3    H   4.780     -4.558   1.120    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1556   .   1   1   4    TRP   HD1    H   7.935     -5.913   2.161    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1557   .   1   1   4    TRP   HE1    H   9.602     -6.224   0.213    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1558   .   1   1   4    TRP   HE3    H   5.628     -2.942   -1.298   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1559   .   1   1   4    TRP   HH2    H   8.745     -3.876   -4.084   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1560   .   1   1   4    TRP   HZ2    H   9.868     -5.310   -2.433   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1561   .   1   1   4    TRP   HZ3    H   6.652     -2.706   -3.525   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1562   .   1   1   4    TRP   N      N   6.012     -2.199   3.001    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1563   .   1   1   4    TRP   NE1    N   8.773     -5.649   0.164    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1564   .   1   1   4    TRP   O      O   3.908     -1.348   0.556    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1565   .   1   1   5    ALA   C      C   1.161     -2.045   3.260    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1566   .   1   1   5    ALA   CA     C   1.789     -2.478   1.940    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1567   .   1   1   5    ALA   CB     C   1.036     -3.666   1.359    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1568   .   1   1   5    ALA   H      H   3.460     -3.512   2.789    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1569   .   1   1   5    ALA   HA     H   1.716     -1.649   1.237    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1570   .   1   1   5    ALA   HB1    H   -0.015    -3.406   1.235    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1571   .   1   1   5    ALA   HB2    H   1.122     -4.517   2.035    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1572   .   1   1   5    ALA   HB3    H   1.462     -3.928   0.390    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1573   .   1   1   5    ALA   N      N   3.198     -2.810   2.112    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1574   .   1   1   5    ALA   O      O   0.666     -2.875   4.025    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1575   .   1   1   6    VAL   C      C   -0.823    -0.661   4.940    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1576   .   1   1   6    VAL   CA     C   0.615     -0.199   4.751    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1577   .   1   1   6    VAL   CB     C   0.656     1.338    4.754    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1578   .   1   1   6    VAL   CG1    C   0.031     1.888    6.029    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1579   .   1   1   6    VAL   CG2    C   2.084     1.836    4.596    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1580   .   1   1   6    VAL   H      H   1.606     -0.113   2.854    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1581   .   1   1   6    VAL   HA     H   1.206     -0.560   5.592    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1582   .   1   1   6    VAL   HB     H   0.074     1.697    3.905    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1583   .   1   1   6    VAL   HG11   H   -0.991    1.519    6.121    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1584   .   1   1   6    VAL   HG12   H   0.021     2.977    5.988    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1585   .   1   1   6    VAL   HG13   H   0.614     1.561    6.890    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1586   .   1   1   6    VAL   HG21   H   2.512     1.431    3.679    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1587   .   1   1   6    VAL   HG22   H   2.086     2.925    4.548    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1588   .   1   1   6    VAL   HG23   H   2.679     1.509    5.449    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1589   .   1   1   6    VAL   N      N   1.184     -0.743   3.522    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1590   .   1   1   6    VAL   O      O   -1.248    -0.963   6.056    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1591   .   1   1   7    GLY   C      C   -3.629    -1.149   2.551    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1592   .   1   1   7    GLY   CA     C   -2.958    -1.140   3.910    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1593   .   1   1   7    GLY   H      H   -1.172    -0.455   2.953    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1594   .   1   1   7    GLY   HA2    H   -2.995    -2.147   4.324    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1595   .   1   1   7    GLY   HA3    H   -3.504    -0.466   4.569    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1596   .   1   1   7    GLY   N      N   -1.572    -0.714   3.843    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1597   .   1   1   7    GLY   O      O   -3.380    -2.035   1.734    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1598   .   1   1   8    HIS   C      C   -4.594    1.043    0.167    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1599   .   1   1   8    HIS   CA     C   -5.193    -0.058   1.037    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1600   .   1   1   8    HIS   CB     C   -6.677    0.219    1.280    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1601   .   1   1   8    HIS   CD2    C   -7.862    -0.361   3.518    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1602   .   1   1   8    HIS   CE1    C   -7.940    -2.533   3.262    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1603   .   1   1   8    HIS   CG     C   -7.289    -0.678   2.323    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1604   .   1   1   8    HIS   H      H   -4.644    0.539    3.019    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1605   .   1   1   8    HIS   HA     H   -5.099    -1.007   0.509    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1606   .   1   1   8    HIS   HB2    H   -6.795    1.255    1.596    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1607   .   1   1   8    HIS   HB3    H   -7.214    0.074    0.343    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1608   .   1   1   8    HIS   HD2    H   -7.977    0.629    3.933    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1609   .   1   1   8    HIS   HE1    H   -8.131    -3.581   3.443    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1610   .   1   1   8    HIS   HE2    H   -8.730    -1.652   4.991    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1611   .   1   1   8    HIS   N      N   -4.483    -0.160   2.308    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1612   .   1   1   8    HIS   ND1    N   -7.347    -2.054   2.178    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1613   .   1   1   8    HIS   NE2    N   -8.269    -1.549   4.098    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1614   .   1   1   8    HIS   O      O   -5.121    2.155    0.105    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1615   .   1   1   9    LEU   C      C   -3.763    2.198    -2.453   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1616   .   1   1   9    LEU   CA     C   -2.820    1.690    -1.368   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1617   .   1   1   9    LEU   CB     C   -1.583    1.055    -2.008   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1618   .   1   1   9    LEU   CD1    C   -0.525    -0.240   -3.874   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1619   .   1   1   9    LEU   CD2    C   -2.648    -1.058   -2.834   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1620   .   1   1   9    LEU   CG     C   -1.838    0.169    -3.228   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1621   .   1   1   9    LEU   H      H   -3.106    -0.201   -0.409   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1622   .   1   1   9    LEU   HA     H   -2.500    2.538    -0.763   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1623   .   1   1   9    LEU   HB2    H   -0.916    1.861    -2.315   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1624   .   1   1   9    LEU   HB3    H   -1.074    0.459    -1.251   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1625   .   1   1   9    LEU   HD11   H   0.039     0.652    -4.148   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1626   .   1   1   9    LEU   HD12   H   -0.728    -0.830   -4.767   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1627   .   1   1   9    LEU   HD13   H   0.057     -0.835   -3.170   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1628   .   1   1   9    LEU   HD21   H   -2.486    -1.851   -3.565   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1629   .   1   1   9    LEU   HD22   H   -2.331    -1.401   -1.850   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1630   .   1   1   9    LEU   HD23   H   -3.707    -0.801   -2.806   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1631   .   1   1   9    LEU   HG     H   -2.415    0.742    -3.955   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1632   .   1   1   9    LEU   N      N   -3.490    0.728    -0.502   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1633   .   1   1   9    LEU   O      O   -4.817    1.609    -2.699   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1634   .   1   1   10   MET   C      C   -4.002    3.115    -5.472   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1635   .   1   1   10   MET   CA     C   -4.190    3.876    -4.164   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1636   .   1   1   10   MET   CB     C   -3.827    5.349    -4.361   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1637   .   1   1   10   MET   CE     C   -4.684    8.563    -6.517   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1638   .   1   1   10   MET   CG     C   -4.803    6.101    -5.250   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1639   .   1   1   10   MET   H      H   -2.503    3.729    -2.853   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1640   .   1   1   10   MET   HA     H   -5.239    3.813    -3.873   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1641   .   1   1   10   MET   HB2    H   -3.807    5.833    -3.384   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1642   .   1   1   10   MET   HB3    H   -2.832    5.409    -4.802   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1643   .   1   1   10   MET   HE1    H   -4.703    9.651    -6.453   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1644   .   1   1   10   MET   HE2    H   -3.735    8.241    -6.947   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1645   .   1   1   10   MET   HE3    H   -5.504    8.222    -7.150   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1646   .   1   1   10   MET   HG2    H   -4.498    5.974    -6.289   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1647   .   1   1   10   MET   HG3    H   -5.799    5.677    -5.120   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1648   .   1   1   10   MET   N      N   -3.378    3.292    -3.102   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1649   .   1   1   10   MET   O      O   -3.130    3.448    -6.276   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   11   .   1650   .   1   1   10   MET   SD     S   -4.864    7.864    -4.878   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1651   .   1   1   1    GLY   C      C   10.657    3.865    4.291    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1652   .   1   1   1    GLY   CA     C   11.088    4.539    5.578    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1653   .   1   1   1    GLY   H1     H   12.611    5.641    6.333    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1654   .   1   1   1    GLY   H2     H   12.309    5.918    4.735    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1655   .   1   1   1    GLY   H3     H   13.078    4.536    5.202    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1656   .   1   1   1    GLY   HA2    H   11.164    3.783    6.360    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1657   .   1   1   1    GLY   HA3    H   10.332    5.270    5.865    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1658   .   1   1   1    GLY   N      N   12.369    5.209    5.453    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1659   .   1   1   1    GLY   O      O   10.378    4.533    3.297    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1660   .   1   1   2    ASN   C      C   9.050     0.835    3.459    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1661   .   1   1   2    ASN   CA     C   10.208    1.773    3.132    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1662   .   1   1   2    ASN   CB     C   11.394    0.969    2.595    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1663   .   1   1   2    ASN   CG     C   11.232    0.606    1.132    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1664   .   1   1   2    ASN   H      H   10.845    2.047    5.158    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1665   .   1   1   2    ASN   HA     H   9.882     2.469    2.359    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1666   .   1   1   2    ASN   HB2    H   12.300    1.564    2.710    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1667   .   1   1   2    ASN   HB3    H   11.495    0.054    3.179    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1668   .   1   1   2    ASN   HD21   H   13.066    1.365    0.705    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1669   .   1   1   2    ASN   HD22   H   12.193    0.694    -0.654   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1670   .   1   1   2    ASN   N      N   10.605    2.538    4.309    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1671   .   1   1   2    ASN   ND2    N   12.244    0.913    0.331    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1672   .   1   1   2    ASN   O      O   9.249     -0.360   3.686    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1673   .   1   1   2    ASN   OD1    O   10.209    0.054    0.729    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1674   .   1   1   3    HIS   C      C   6.444     -0.498   2.734    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1675   .   1   1   3    HIS   CA     C   6.649     0.594    3.780    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1676   .   1   1   3    HIS   CB     C   5.417     1.498    3.839    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1677   .   1   1   3    HIS   CD2    C   5.963     3.822    4.864    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1678   .   1   1   3    HIS   CE1    C   5.254     3.428    6.896    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1679   .   1   1   3    HIS   CG     C   5.490     2.544    4.918    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1680   .   1   1   3    HIS   H      H   7.740     2.369    3.288    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1681   .   1   1   3    HIS   HA     H   6.780     0.122    4.754    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1682   .   1   1   3    HIS   HB2    H   5.312     2.001    2.878    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1683   .   1   1   3    HIS   HB3    H   4.535     0.880    4.009    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1684   .   1   1   3    HIS   HD2    H   6.381     4.315    3.999    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1685   .   1   1   3    HIS   HE1    H   5.009     3.558    7.940    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1686   .   1   1   3    HIS   HE2    H   6.061     5.300    6.411    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1687   .   1   1   3    HIS   N      N   7.839     1.383    3.482    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1688   .   1   1   3    HIS   ND1    N   5.047     2.313    6.209    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1689   .   1   1   3    HIS   NE2    N   5.805     4.366    6.126    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1690   .   1   1   3    HIS   O      O   6.647     -0.273   1.540    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1691   .   1   1   4    TRP   C      C   4.350     -2.861   1.855    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1692   .   1   1   4    TRP   CA     C   5.811     -2.805   2.292    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1693   .   1   1   4    TRP   CB     C   6.203     -4.116   2.974    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1694   .   1   1   4    TRP   CD1    C   8.408     -5.375   2.628    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1695   .   1   1   4    TRP   CD2    C   7.065     -5.359   0.835    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1696   .   1   1   4    TRP   CE2    C   8.234     -6.077   0.515    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1697   .   1   1   4    TRP   CE3    C   6.074     -5.217   -0.138   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1698   .   1   1   4    TRP   CG     C   7.197     -4.919   2.191    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1699   .   1   1   4    TRP   CH2    C   7.448     -6.496   -1.673   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1700   .   1   1   4    TRP   CZ2    C   8.436     -6.650   -0.738   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1701   .   1   1   4    TRP   CZ3    C   6.275     -5.787   -1.383   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1702   .   1   1   4    TRP   H      H   5.893     -1.799   4.180    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1703   .   1   1   4    TRP   HA     H   6.433     -2.676   1.406    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1704   .   1   1   4    TRP   HB2    H   6.636     -3.884   3.947    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1705   .   1   1   4    TRP   HB3    H   5.305     -4.717   3.123    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1706   .   1   1   4    TRP   HD1    H   8.812     -5.211   3.616    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1707   .   1   1   4    TRP   HE1    H   9.945     -6.511   1.694    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1708   .   1   1   4    TRP   HE3    H   5.166     -4.673   0.077    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1709   .   1   1   4    TRP   HH2    H   7.575     -6.929   -2.654   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1710   .   1   1   4    TRP   HZ2    H   9.340     -7.196   -0.964   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1711   .   1   1   4    TRP   HZ3    H   5.516     -5.682   -2.143   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1712   .   1   1   4    TRP   N      N   6.042     -1.678   3.189    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1713   .   1   1   4    TRP   NE1    N   9.038     -6.073   1.625    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1714   .   1   1   4    TRP   O      O   4.038     -2.685   0.677    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1715   .   1   1   5    ALA   C      C   1.206     -2.807   3.746    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1716   .   1   1   5    ALA   CA     C   2.033     -3.188   2.523    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1717   .   1   1   5    ALA   CB     C   1.666     -4.584   2.048    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1718   .   1   1   5    ALA   H      H   3.781     -3.248   3.757    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1719   .   1   1   5    ALA   HA     H   1.806     -2.483   1.723    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1720   .   1   1   5    ALA   HB1    H   0.597     -4.628   1.837    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1721   .   1   1   5    ALA   HB2    H   2.224     -4.818   1.141    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1722   .   1   1   5    ALA   HB3    H   1.913     -5.309   2.824    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1723   .   1   1   5    ALA   N      N   3.461     -3.110   2.810    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1724   .   1   1   5    ALA   O      O   1.112     -3.572   4.706    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1725   .   1   1   6    VAL   C      C   -1.682    -1.479   4.593    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1726   .   1   1   6    VAL   CA     C   -0.214    -1.140   4.811    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1727   .   1   1   6    VAL   CB     C   -0.069    0.382    4.995    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1728   .   1   1   6    VAL   CG1    C   -0.419    1.110    3.706    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1729   .   1   1   6    VAL   CG2    C   -0.944    0.865    6.141    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1730   .   1   1   6    VAL   H      H   0.725     -1.038   2.890    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1731   .   1   1   6    VAL   HA     H   0.120     -1.629   5.726    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1732   .   1   1   6    VAL   HB     H   0.970     0.601    5.242    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1733   .   1   1   6    VAL   HG11   H   0.438     1.698    3.376    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1734   .   1   1   6    VAL   HG12   H   -0.678    0.382    2.937    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1735   .   1   1   6    VAL   HG13   H   -1.267    1.772    3.880    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1736   .   1   1   6    VAL   HG21   H   -0.677    0.332    7.053    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1737   .   1   1   6    VAL   HG22   H   -0.792    1.935    6.289    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1738   .   1   1   6    VAL   HG23   H   -1.991    0.677    5.903    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1739   .   1   1   6    VAL   N      N   0.608     -1.621   3.707    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1740   .   1   1   6    VAL   O      O   -2.444    -1.629   5.547    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1741   .   1   1   7    GLY   C      C   -4.171    -0.775   2.323    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1742   .   1   1   7    GLY   CA     C   -3.453    -1.922   3.006    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1743   .   1   1   7    GLY   H      H   -1.406    -1.467   2.584    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1744   .   1   1   7    GLY   HA2    H   -3.464    -2.786   2.342    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1745   .   1   1   7    GLY   HA3    H   -3.983    -2.174   3.925    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1746   .   1   1   7    GLY   N      N   -2.075    -1.600   3.329    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1747   .   1   1   7    GLY   O      O   -5.184    -0.979   1.653    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1748   .   1   1   8    HIS   C      C   -3.673    1.867    0.496    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1749   .   1   1   8    HIS   CA     C   -4.247    1.618    1.887    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1750   .   1   1   8    HIS   CB     C   -4.014    2.844    2.773    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1751   .   1   1   8    HIS   CD2    C   -4.958    5.218    2.304    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1752   .   1   1   8    HIS   CE1    C   -7.077    4.764    2.603    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1753   .   1   1   8    HIS   CG     C   -5.076    3.900    2.623    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1754   .   1   1   8    HIS   H      H   -2.814    0.536    3.055    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1755   .   1   1   8    HIS   HA     H   -5.321    1.455    1.795    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1756   .   1   1   8    HIS   HB2    H   -3.994    2.520    3.813    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1757   .   1   1   8    HIS   HB3    H   -3.047    3.281    2.522    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1758   .   1   1   8    HIS   HD2    H   -4.040    5.749    2.097    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1759   .   1   1   8    HIS   HE1    H   -8.149    4.874    2.675    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1760   .   1   1   8    HIS   HE2    H   -6.482    6.709    2.095    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1761   .   1   1   8    HIS   N      N   -3.647    0.434    2.493    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1762   .   1   1   8    HIS   ND1    N   -6.422    3.630    2.808    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1763   .   1   1   8    HIS   NE2    N   -6.234    5.750    2.296    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1764   .   1   1   8    HIS   O      O   -3.125    2.936    0.221    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1765   .   1   1   9    LEU   C      C   -4.419    0.835    -2.756   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1766   .   1   1   9    LEU   CA     C   -3.291    0.985    -1.740   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1767   .   1   1   9    LEU   CB     C   -2.219    -0.077   -1.995   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1768   .   1   1   9    LEU   CD1    C   -0.246    1.162    -2.921   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1769   .   1   1   9    LEU   CD2    C   -0.724    -1.173   -3.683   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1770   .   1   1   9    LEU   CG     C   -1.335    0.144    -3.222   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1771   .   1   1   9    LEU   H      H   -4.257    0.022    -0.089   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1772   .   1   1   9    LEU   HA     H   -2.841    1.970    -1.865   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1773   .   1   1   9    LEU   HB2    H   -1.571    -0.112   -1.119   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1774   .   1   1   9    LEU   HB3    H   -2.712    -1.044   -2.097   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1775   .   1   1   9    LEU   HD11   H   -0.701    2.096    -2.593   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1776   .   1   1   9    LEU   HD12   H   0.343     1.341    -3.821   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1777   .   1   1   9    LEU   HD13   H   0.403     0.778    -2.133   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1778   .   1   1   9    LEU   HD21   H   -1.519    -1.888   -3.894   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1779   .   1   1   9    LEU   HD22   H   -0.138    -1.004   -4.586   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1780   .   1   1   9    LEU   HD23   H   -0.078    -1.568   -2.899   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1781   .   1   1   9    LEU   HG     H   -1.957    0.535    -4.028   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1782   .   1   1   9    LEU   N      N   -3.799    0.875    -0.377   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1783   .   1   1   9    LEU   O      O   -5.178    -0.133   -2.717   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1784   .   1   1   10   MET   C      C   -4.960    2.025    -6.071   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1785   .   1   1   10   MET   CA     C   -5.558    1.776    -4.690   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1786   .   1   1   10   MET   CB     C   -6.632    2.823    -4.391   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1787   .   1   1   10   MET   CE     C   -10.598   3.011    -5.668   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1788   .   1   1   10   MET   CG     C   -7.877    2.682    -5.251   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1789   .   1   1   10   MET   H      H   -3.870    2.571    -3.640   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1790   .   1   1   10   MET   HA     H   -6.025    0.791    -4.688   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1791   .   1   1   10   MET   HB2    H   -6.919    2.741    -3.342   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1792   .   1   1   10   MET   HB3    H   -6.206    3.812    -4.561   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1793   .   1   1   10   MET   HE1    H   -11.540   3.477    -5.379   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1794   .   1   1   10   MET   HE2    H   -10.358   3.284    -6.695   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1795   .   1   1   10   MET   HE3    H   -10.691   1.927    -5.593   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1796   .   1   1   10   MET   HG2    H   -7.660    3.071    -6.246   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1797   .   1   1   10   MET   HG3    H   -8.133    1.625    -5.333   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1798   .   1   1   10   MET   N      N   -4.524    1.801    -3.663   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1799   .   1   1   10   MET   O      O   -5.098    1.203    -6.978   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   12   .   1800   .   1   1   10   MET   SD     S   -9.292    3.575    -4.579   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1801   .   1   1   1    GLY   C      C   10.879    0.371    7.555    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1802   .   1   1   1    GLY   CA     C   11.715    -0.118   8.722    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1803   .   1   1   1    GLY   H1     H   13.413    0.340    9.727    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1804   .   1   1   1    GLY   H2     H   13.471    0.690    8.117    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1805   .   1   1   1    GLY   H3     H   12.606    1.653    9.139    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1806   .   1   1   1    GLY   HA2    H   12.031    -1.143   8.527    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1807   .   1   1   1    GLY   HA3    H   11.102    -0.102   9.623    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1808   .   1   1   1    GLY   N      N   12.890    0.704    8.943    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1809   .   1   1   1    GLY   O      O   10.236    1.417    7.639    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1810   .   1   1   2    ASN   C      C   8.924     -0.948   5.094    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1811   .   1   1   2    ASN   CA     C   10.125    -0.024   5.274    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1812   .   1   1   2    ASN   CB     C   11.018    -0.082   4.033    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1813   .   1   1   2    ASN   CG     C   12.124    0.954    4.068    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1814   .   1   1   2    ASN   H      H   11.433    -1.237   6.458    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1815   .   1   1   2    ASN   HA     H   9.762     0.997    5.393    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1816   .   1   1   2    ASN   HB2    H   11.468    -1.073   3.972    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1817   .   1   1   2    ASN   HB3    H   10.405    0.084    3.147    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1818   .   1   1   2    ASN   HD21   H   12.913    0.220    2.347    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1819   .   1   1   2    ASN   HD22   H   13.762    1.581    3.044    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1820   .   1   1   2    ASN   N      N   10.886    -0.388   6.464    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1821   .   1   1   2    ASN   ND2    N   13.003    0.915    3.074    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1822   .   1   1   2    ASN   O      O   9.068     -2.170   5.060    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1823   .   1   1   2    ASN   OD1    O   12.188    1.780    4.978    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1824   .   1   1   3    HIS   C      C   6.033     -1.053   3.354    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1825   .   1   1   3    HIS   CA     C   6.514     -1.124   4.800    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1826   .   1   1   3    HIS   CB     C   5.421     -0.610   5.740    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1827   .   1   1   3    HIS   CD2    C   4.980     -1.838   7.984    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1828   .   1   1   3    HIS   CE1    C   6.598     -0.931   9.147    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1829   .   1   1   3    HIS   CG     C   5.654     -0.968   7.183    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1830   .   1   1   3    HIS   H      H   7.690     0.654    5.014    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1831   .   1   1   3    HIS   HA     H   6.720     -2.166   5.046    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1832   .   1   1   3    HIS   HB2    H   5.377     0.476    5.656    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1833   .   1   1   3    HIS   HB3    H   4.463     -1.025   5.425    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1834   .   1   1   3    HIS   HD2    H   4.129     -2.442   7.703    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1835   .   1   1   3    HIS   HE1    H   7.263     -0.686   9.962    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1836   .   1   1   3    HIS   HE2    H   5.325     -2.339   10.040   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1837   .   1   1   3    HIS   N      N   7.741     -0.354   4.978    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1838   .   1   1   3    HIS   ND1    N   6.673     -0.404   7.932    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1839   .   1   1   3    HIS   NE2    N   5.591     -1.804   9.226    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1840   .   1   1   3    HIS   O      O   5.833     0.033    2.810    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1841   .   1   1   4    TRP   C      C   3.975     -1.739   1.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1842   .   1   1   4    TRP   CA     C   5.394     -2.284   1.356    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1843   .   1   1   4    TRP   CB     C   5.448     -3.726   0.849    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1844   .   1   1   4    TRP   CD1    C   7.588     -4.930   0.113    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1845   .   1   1   4    TRP   CD2    C   6.913     -3.313   -1.284   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1846   .   1   1   4    TRP   CE2    C   8.090     -3.890   -1.799   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1847   .   1   1   4    TRP   CE3    C   6.304     -2.275   -1.994   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1848   .   1   1   4    TRP   CG     C   6.609     -3.992   -0.061   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1849   .   1   1   4    TRP   CH2    C   8.052     -2.444   -3.666   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1850   .   1   1   4    TRP   CZ2    C   8.669     -3.462   -2.991   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1851   .   1   1   4    TRP   CZ3    C   6.881     -1.851   -3.177   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1852   .   1   1   4    TRP   H      H   6.033     -3.072   3.241    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1853   .   1   1   4    TRP   HA     H   6.057     -1.675   0.741    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1854   .   1   1   4    TRP   HB2    H   5.523     -4.392   1.709    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1855   .   1   1   4    TRP   HB3    H   4.524     -3.946   0.314    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1856   .   1   1   4    TRP   HD1    H   7.650     -5.614   0.946    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1857   .   1   1   4    TRP   HE1    H   9.298     -5.460   -1.036   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1858   .   1   1   4    TRP   HE3    H   5.400     -1.812   -1.626   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1859   .   1   1   4    TRP   HH2    H   8.476     -2.091   -4.594   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1860   .   1   1   4    TRP   HZ2    H   9.572     -3.917   -3.370   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1861   .   1   1   4    TRP   HZ3    H   6.421     -1.048   -3.733   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1862   .   1   1   4    TRP   N      N   5.851     -2.215   2.739    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1863   .   1   1   4    TRP   NE1    N   8.483     -4.873   -0.929   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1864   .   1   1   4    TRP   O      O   3.755     -0.702   0.598    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1865   .   1   1   5    ALA   C      C   1.060     -1.815   3.166    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1866   .   1   1   5    ALA   CA     C   1.621     -2.029   1.764    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1867   .   1   1   5    ALA   CB     C   0.790     -3.061   1.015    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1868   .   1   1   5    ALA   H      H   3.263     -3.288   2.313    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1869   .   1   1   5    ALA   HA     H   1.564     -1.085   1.224    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1870   .   1   1   5    ALA   HB1    H   0.861     -4.023   1.522    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1871   .   1   1   5    ALA   HB2    H   -0.251    -2.739   0.989    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1872   .   1   1   5    ALA   HB3    H   1.166     -3.159   -0.004   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1873   .   1   1   5    ALA   N      N   3.017     -2.444   1.815    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1874   .   1   1   5    ALA   O      O   0.533     -2.742   3.783    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1875   .   1   1   6    VAL   C      C   -0.768    -0.683   5.164    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1876   .   1   1   6    VAL   CA     C   0.683     -0.252   4.995    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1877   .   1   1   6    VAL   CB     C   0.797     1.258    5.269    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1878   .   1   1   6    VAL   CG1    C   0.247     1.593    6.648    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1879   .   1   1   6    VAL   CG2    C   2.240     1.717    5.137    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1880   .   1   1   6    VAL   H      H   1.624     0.128    3.108    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1881   .   1   1   6    VAL   HA     H   1.287     -0.782   5.731    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1882   .   1   1   6    VAL   HB     H   0.201     1.787    4.525    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1883   .   1   1   6    VAL   HG11   H   -0.787    1.255    6.719    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1884   .   1   1   6    VAL   HG12   H   0.846     1.092    7.409    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1885   .   1   1   6    VAL   HG13   H   0.289     2.671    6.804    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1886   .   1   1   6    VAL   HG21   H   2.613     1.468    4.144    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1887   .   1   1   6    VAL   HG22   H   2.293     2.796    5.285    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1888   .   1   1   6    VAL   HG23   H   2.851     1.218    5.890    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1889   .   1   1   6    VAL   N      N   1.179     -0.589   3.664    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1890   .   1   1   6    VAL   O      O   -1.144    -1.249   6.190    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1891   .   1   1   7    GLY   C      C   -3.537    -1.177   2.852    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1892   .   1   1   7    GLY   CA     C   -2.987    -0.776   4.206    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1893   .   1   1   7    GLY   H      H   -1.223    0.057    3.330    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1894   .   1   1   7    GLY   HA2    H   -3.108    -1.609   4.898    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1895   .   1   1   7    GLY   HA3    H   -3.556    0.077    4.576    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1896   .   1   1   7    GLY   N      N   -1.584    -0.410   4.150    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1897   .   1   1   7    GLY   O      O   -3.361    -2.314   2.415    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1898   .   1   1   8    HIS   C      C   -3.920    0.097    -0.231   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1899   .   1   1   8    HIS   CA     C   -4.785    -0.503   0.873    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1900   .   1   1   8    HIS   CB     C   -6.202    0.070    0.794    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1901   .   1   1   8    HIS   CD2    C   -7.739    0.425    2.858    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1902   .   1   1   8    HIS   CE1    C   -8.129    -1.681   3.307    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1903   .   1   1   8    HIS   CG     C   -7.077    -0.342   1.947    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1904   .   1   1   8    HIS   H      H   -4.317    0.675    2.599    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1905   .   1   1   8    HIS   HA     H   -4.838    -1.582   0.725    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1906   .   1   1   8    HIS   HB2    H   -6.135    1.158    0.783    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1907   .   1   1   8    HIS   HB3    H   -6.665    -0.263   -0.135   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1908   .   1   1   8    HIS   HD2    H   -7.747    1.504    2.904    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1909   .   1   1   8    HIS   HE1    H   -8.506    -2.575   3.780    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1910   .   1   1   8    HIS   HE2    H   -8.983    -0.179   4.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1911   .   1   1   8    HIS   N      N   -4.206    -0.240   2.186    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1912   .   1   1   8    HIS   ND1    N   -7.334    -1.669   2.247    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1913   .   1   1   8    HIS   NE2    N   -8.401    -0.440   3.711    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1914   .   1   1   8    HIS   O      O   -4.426    0.511    -1.276   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1915   .   1   1   9    LEU   C      C   -1.054    -0.417   -1.811   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1916   .   1   1   9    LEU   CA     C   -1.677    0.692    -0.969   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1917   .   1   1   9    LEU   CB     C   -0.581    1.487    -0.259   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1918   .   1   1   9    LEU   CD1    C   0.050     3.049    1.598    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1919   .   1   1   9    LEU   CD2    C   -1.507    3.816    -0.204   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1920   .   1   1   9    LEU   CG     C   -1.054    2.632    0.638    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1921   .   1   1   9    LEU   H      H   -2.259    -0.214   0.882    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1922   .   1   1   9    LEU   HA     H   -2.221    1.366    -1.631   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1923   .   1   1   9    LEU   HB2    H   -0.013    0.792    0.359    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1924   .   1   1   9    LEU   HB3    H   0.088     1.899    -1.015   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1925   .   1   1   9    LEU   HD11   H   0.361     2.189    2.191    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1926   .   1   1   9    LEU   HD12   H   0.902     3.426    1.031    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1927   .   1   1   9    LEU   HD13   H   -0.321    3.832    2.260    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1928   .   1   1   9    LEU   HD21   H   -2.296    3.498    -0.885   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1929   .   1   1   9    LEU   HD22   H   -0.663    4.197    -0.779   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1930   .   1   1   9    LEU   HD23   H   -1.885    4.602    0.450    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1931   .   1   1   9    LEU   HG     H   -1.904    2.281    1.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1932   .   1   1   9    LEU   N      N   -2.613    0.142    0.006    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1933   .   1   1   9    LEU   O      O   -0.295    -1.242   -1.305   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1934   .   1   1   10   MET   C      C   0.669     -1.322   -4.121   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1935   .   1   1   10   MET   CA     C   -0.849    -1.433   -4.013   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1936   .   1   1   10   MET   CB     C   -1.482    -1.282   -5.397   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1937   .   1   1   10   MET   CE     C   -2.308    -4.864   -7.327   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1938   .   1   1   10   MET   CG     C   -1.302    -2.502   -6.285   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1939   .   1   1   10   MET   H      H   -2.008    0.279    -3.455   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1940   .   1   1   10   MET   HA     H   -1.098    -2.420   -3.624   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1941   .   1   1   10   MET   HB2    H   -2.550    -1.104   -5.269   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1942   .   1   1   10   MET   HB3    H   -1.040    -0.419   -5.893   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1943   .   1   1   10   MET   HE1    H   -2.954    -5.736   -7.219   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1944   .   1   1   10   MET   HE2    H   -2.618    -4.290   -8.200   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1945   .   1   1   10   MET   HE3    H   -1.276    -5.190   -7.454   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1946   .   1   1   10   MET   HG2    H   -1.478    -2.209   -7.320   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1947   .   1   1   10   MET   HG3    H   -0.278    -2.862   -6.188   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1948   .   1   1   10   MET   N      N   -1.379    -0.427   -3.099   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1949   .   1   1   10   MET   O      O   1.190     -0.410   -4.765   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   13   .   1950   .   1   1   10   MET   SD     S   -2.435    -3.841   -5.864   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1951   .   1   1   1    GLY   C      C   9.072     3.102    0.082    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1952   .   1   1   1    GLY   CA     C   8.297     3.526    -1.149   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1953   .   1   1   1    GLY   H1     H   8.608     4.032    -3.087   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1954   .   1   1   1    GLY   H2     H   9.932     4.222    -2.123   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1955   .   1   1   1    GLY   H3     H   9.464     2.712    -2.592   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1956   .   1   1   1    GLY   HA2    H   7.841     4.497    -0.958   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1957   .   1   1   1    GLY   HA3    H   7.510     2.797    -1.340   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1958   .   1   1   1    GLY   N      N   9.139     3.631    -2.328   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1959   .   1   1   1    GLY   O      O   10.186    2.591    -0.023   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1960   .   1   1   2    ASN   C      C   8.643     1.595    3.000    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1961   .   1   1   2    ASN   CA     C   9.128     2.957    2.511    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1962   .   1   1   2    ASN   CB     C   8.850     4.021    3.575    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1963   .   1   1   2    ASN   CG     C   9.467     5.362    3.226    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1964   .   1   1   2    ASN   H      H   7.568     3.743    1.273    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1965   .   1   1   2    ASN   HA     H   10.204    2.904    2.347    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1966   .   1   1   2    ASN   HB2    H   7.772     4.147    3.672    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1967   .   1   1   2    ASN   HB3    H   9.255     3.683    4.529    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1968   .   1   1   2    ASN   HD21   H   11.300    4.507    3.036    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1969   .   1   1   2    ASN   HD22   H   11.239    6.231    2.745    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1970   .   1   1   2    ASN   N      N   8.484     3.318    1.253    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1971   .   1   1   2    ASN   ND2    N   10.773    5.367    2.983    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1972   .   1   1   2    ASN   O      O   9.372     0.605    2.935    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1973   .   1   1   2    ASN   OD1    O   8.777     6.381    3.175    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1974   .   1   1   3    HIS   C      C   6.480     -0.626   2.836    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1975   .   1   1   3    HIS   CA     C   6.824     0.313    3.987    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1976   .   1   1   3    HIS   CB     C   5.569     0.608    4.810    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1977   .   1   1   3    HIS   CD2    C   3.509     0.653    3.231    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1978   .   1   1   3    HIS   CE1    C   3.209     2.822    3.192    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1979   .   1   1   3    HIS   CG     C   4.460     1.237    4.013    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1980   .   1   1   3    HIS   H      H   6.860     2.402    3.516    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1981   .   1   1   3    HIS   HA     H   7.553     -0.179   4.631    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1982   .   1   1   3    HIS   HB2    H   5.204     -0.329   5.229    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1983   .   1   1   3    HIS   HB3    H   5.836     1.278    5.628    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1984   .   1   1   3    HIS   HD2    H   3.390     -0.405   3.046    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1985   .   1   1   3    HIS   HE1    H   2.804     3.797    2.966    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1986   .   1   1   3    HIS   HE2    H   1.932     1.565    2.101    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1987   .   1   1   3    HIS   N      N   7.408     1.554    3.489    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1988   .   1   1   3    HIS   ND1    N   4.255     2.605    3.977    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1989   .   1   1   3    HIS   NE2    N   2.724     1.672    2.718    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1990   .   1   1   3    HIS   O      O   6.577     -0.253   1.668    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1991   .   1   1   4    TRP   C      C   4.274     -2.668   1.724    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1992   .   1   1   4    TRP   CA     C   5.724     -2.840   2.169    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1993   .   1   1   4    TRP   CB     C   5.936     -4.252   2.717    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1994   .   1   1   4    TRP   CD1    C   8.146     -5.546   2.609    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1995   .   1   1   4    TRP   CD2    C   7.142     -5.272   0.627    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1996   .   1   1   4    TRP   CE2    C   8.336     -5.993   0.429    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1997   .   1   1   4    TRP   CE3    C   6.340     -4.982   -0.481   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1998   .   1   1   4    TRP   CG     C   7.039     -4.997   2.028    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   1999   .   1   1   4    TRP   CH2    C   7.942     -6.125   -1.895   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2000   .   1   1   4    TRP   CZ2    C   8.746     -6.424   -0.829   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2001   .   1   1   4    TRP   CZ3    C   6.749     -5.410   -1.729   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2002   .   1   1   4    TRP   H      H   6.021     -2.093   4.152    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2003   .   1   1   4    TRP   HA     H   6.371     -2.703   1.303    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2004   .   1   1   4    TRP   HB2    H   6.169     -4.185   3.780    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2005   .   1   1   4    TRP   HB3    H   5.010     -4.814   2.594    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2006   .   1   1   4    TRP   HD1    H   8.371     -5.513   3.665    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2007   .   1   1   4    TRP   HE1    H   9.804     -6.623   1.828    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2008   .   1   1   4    TRP   HE3    H   5.418     -4.432   -0.363   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2009   .   1   1   4    TRP   HH2    H   8.232     -6.447   -2.884   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2010   .   1   1   4    TRP   HZ2    H   9.666     -6.975   -0.959   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2011   .   1   1   4    TRP   HZ3    H   6.137     -5.190   -2.592   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2012   .   1   1   4    TRP   N      N   6.080     -1.847   3.175    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2013   .   1   1   4    TRP   NE1    N   8.931     -6.146   1.655    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2014   .   1   1   4    TRP   O      O   4.007     -2.225   0.608    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2015   .   1   1   5    ALA   C      C   1.103     -2.734   3.578    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2016   .   1   1   5    ALA   CA     C   1.922     -2.902   2.304    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2017   .   1   1   5    ALA   CB     C   1.446     -4.120   1.524    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2018   .   1   1   5    ALA   H      H   3.629     -3.379   3.505    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2019   .   1   1   5    ALA   HA     H   1.776     -2.018   1.683    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2020   .   1   1   5    ALA   HB1    H   0.383     -4.019   1.305    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2021   .   1   1   5    ALA   HB2    H   2.003     -4.193   0.590    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2022   .   1   1   5    ALA   HB3    H   1.611     -5.019   2.117    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2023   .   1   1   5    ALA   N      N   3.345     -3.020   2.604    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2024   .   1   1   5    ALA   O      O   0.864     -3.697   4.306    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2025   .   1   1   6    VAL   C      C   -1.584    -1.561   4.811    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2026   .   1   1   6    VAL   CA     C   -0.120    -1.208   5.029    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2027   .   1   1   6    VAL   CB     C   -0.012    0.277    5.419    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2028   .   1   1   6    VAL   CG1    C   -0.421    1.167    4.254    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2029   .   1   1   6    VAL   CG2    C   -0.865    0.568    6.645    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2030   .   1   1   6    VAL   H      H   0.905     -0.754   3.205    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2031   .   1   1   6    VAL   HA     H   0.260     -1.808   5.855    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2032   .   1   1   6    VAL   HB     H   1.027     0.491    5.666    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2033   .   1   1   6    VAL   HG11   H   0.202     0.942    3.388    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2034   .   1   1   6    VAL   HG12   H   -1.466    0.984    4.007    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2035   .   1   1   6    VAL   HG13   H   -0.291    2.213    4.533    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2036   .   1   1   6    VAL   HG21   H   -0.556    -0.079   7.466    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2037   .   1   1   6    VAL   HG22   H   -0.737    1.610    6.937    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2038   .   1   1   6    VAL   HG23   H   -1.914    0.383    6.411    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2039   .   1   1   6    VAL   N      N   0.674     -1.503   3.842    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2040   .   1   1   6    VAL   O      O   -2.314    -1.846   5.760    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2041   .   1   1   7    GLY   C      C   -4.164    -0.664   2.725    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2042   .   1   1   7    GLY   CA     C   -3.391    -1.865   3.232    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2043   .   1   1   7    GLY   H      H   -1.370    -1.304   2.811    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2044   .   1   1   7    GLY   HA2    H   -3.405    -2.643   2.468    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2045   .   1   1   7    GLY   HA3    H   -3.880    -2.242   4.130    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2046   .   1   1   7    GLY   N      N   -2.012    -1.544   3.552    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2047   .   1   1   7    GLY   O      O   -5.390    -0.614   2.833    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2048   .   1   1   8    HIS   C      C   -3.761    1.695    0.168    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2049   .   1   1   8    HIS   CA     C   -4.073    1.520    1.651    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2050   .   1   1   8    HIS   CB     C   -3.597    2.747    2.431    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2051   .   1   1   8    HIS   CD2    C   -4.171    5.138    1.602    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2052   .   1   1   8    HIS   CE1    C   -6.234    5.222    2.330    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2053   .   1   1   8    HIS   CG     C   -4.459    3.960    2.222    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2054   .   1   1   8    HIS   H      H   -2.443    0.211    2.117    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2055   .   1   1   8    HIS   HA     H   -5.152    1.430    1.770    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2056   .   1   1   8    HIS   HB2    H   -3.597    2.502    3.493    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2057   .   1   1   8    HIS   HB3    H   -2.578    2.983    2.125    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2058   .   1   1   8    HIS   HD2    H   -3.234    5.407    1.138    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2059   .   1   1   8    HIS   HE1    H   -7.231    5.576    2.546    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2060   .   1   1   8    HIS   HE2    H   -5.413    6.861    1.312    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2061   .   1   1   8    HIS   N      N   -3.447    0.310    2.174    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2062   .   1   1   8    HIS   ND1    N   -5.767    4.031    2.676    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2063   .   1   1   8    HIS   NE2    N   -5.307    5.926    1.680    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2064   .   1   1   8    HIS   O      O   -3.638    2.818    -0.323   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2065   .   1   1   9    LEU   C      C   -4.616    0.581    -2.795   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2066   .   1   1   9    LEU   CA     C   -3.333    0.609    -1.969   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2067   .   1   1   9    LEU   CB     C   -2.442    -0.575   -2.347   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2068   .   1   1   9    LEU   CD1    C   -0.469    0.659    -3.277   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2069   .   1   1   9    LEU   CD2    C   -0.571    0.127    -0.835   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2070   .   1   1   9    LEU   CG     C   -0.935    -0.346   -2.234   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2071   .   1   1   9    LEU   H      H   -3.745    -0.313   -0.080   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2072   .   1   1   9    LEU   HA     H   -2.797    1.531    -2.191   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2073   .   1   1   9    LEU   HB2    H   -2.709    -1.421   -1.714   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2074   .   1   1   9    LEU   HB3    H   -2.662    -0.840   -3.382   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2075   .   1   1   9    LEU   HD11   H   -0.738    0.304    -4.271   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2076   .   1   1   9    LEU   HD12   H   -0.947    1.621    -3.094   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2077   .   1   1   9    LEU   HD13   H   0.613     0.774    -3.213   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2078   .   1   1   9    LEU   HD21   H   0.507     0.056    -0.696   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2079   .   1   1   9    LEU   HD22   H   -1.074    -0.500   -0.098   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2080   .   1   1   9    LEU   HD23   H   -0.888    1.162    -0.707   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2081   .   1   1   9    LEU   HG     H   -0.429    -1.293   -2.420   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2082   .   1   1   9    LEU   N      N   -3.633    0.578    -0.541   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2083   .   1   1   9    LEU   O      O   -5.662    0.141    -2.320   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2084   .   1   1   10   MET   C      C   -5.234    1.060    -6.386   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2085   .   1   1   10   MET   CA     C   -5.677    1.078    -4.927   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2086   .   1   1   10   MET   CB     C   -6.532    2.318    -4.655   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2087   .   1   1   10   MET   CE     C   -7.168    6.028    -5.381   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2088   .   1   1   10   MET   CG     C   -5.841    3.623    -5.015   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2089   .   1   1   10   MET   H      H   -3.637    1.402    -4.364   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2090   .   1   1   10   MET   HA     H   -6.283    0.192    -4.737   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2091   .   1   1   10   MET   HB2    H   -7.448    2.240    -5.241   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2092   .   1   1   10   MET   HB3    H   -6.793    2.339    -3.597   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2093   .   1   1   10   MET   HE1    H   -7.598    6.935    -4.955   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2094   .   1   1   10   MET   HE2    H   -7.948    5.464    -5.894   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2095   .   1   1   10   MET   HE3    H   -6.386    6.296    -6.092   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2096   .   1   1   10   MET   HG2    H   -4.772    3.520    -4.827   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2097   .   1   1   10   MET   HG3    H   -5.995    3.818    -6.076   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2098   .   1   1   10   MET   N      N   -4.525    1.053    -4.033   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2099   .   1   1   10   MET   O      O   -4.042    1.135    -6.685   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   14   .   2100   .   1   1   10   MET   SD     S   -6.469    5.025    -4.072   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2101   .   1   1   1    GLY   C      C   10.976    -1.855   6.511    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2102   .   1   1   1    GLY   CA     C   12.005    -1.135   7.360    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2103   .   1   1   1    GLY   H1     H   12.982    -1.321   9.124    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2104   .   1   1   1    GLY   H2     H   12.655    -2.757   8.383    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2105   .   1   1   1    GLY   H3     H   11.448    -1.925   9.139    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2106   .   1   1   1    GLY   HA2    H   11.633    -0.139   7.598    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2107   .   1   1   1    GLY   HA3    H   12.927    -1.041   6.787    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2108   .   1   1   1    GLY   N      N   12.295    -1.838   8.596    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2109   .   1   1   1    GLY   O      O   11.240    -2.194   5.357    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2110   .   1   1   2    ASN   C      C   7.548     -1.843   6.132    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2111   .   1   1   2    ASN   CA     C   8.728     -2.778   6.371    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2112   .   1   1   2    ASN   CB     C   8.268     -4.006   7.161    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2113   .   1   1   2    ASN   CG     C   9.395     -4.993   7.403    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2114   .   1   1   2    ASN   H      H   9.646     -1.789   8.033    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2115   .   1   1   2    ASN   HA     H   9.109     -3.109   5.406    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2116   .   1   1   2    ASN   HB2    H   7.869     -3.680   8.122    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2117   .   1   1   2    ASN   HB3    H   7.478     -4.506   6.601    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2118   .   1   1   2    ASN   HD21   H   9.199     -5.728   5.520    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2119   .   1   1   2    ASN   HD22   H   10.447    -6.473   6.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2120   .   1   1   2    ASN   N      N   9.800     -2.092   7.082    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2121   .   1   1   2    ASN   ND2    N   9.705     -5.795   6.392    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2122   .   1   1   2    ASN   O      O   6.700     -1.657   7.006    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2123   .   1   1   2    ASN   OD1    O   9.978     -5.031   8.485    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2124   .   1   1   3    HIS   C      C   5.884     -0.646   3.189    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2125   .   1   1   3    HIS   CA     C   6.420     -0.340   4.585    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2126   .   1   1   3    HIS   CB     C   6.908     1.109    4.649    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2127   .   1   1   3    HIS   CD2    C   6.378     2.230    6.931    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2128   .   1   1   3    HIS   CE1    C   8.336     1.940    7.869    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2129   .   1   1   3    HIS   CG     C   7.191     1.586    6.047    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2130   .   1   1   3    HIS   H      H   8.221     -1.449   4.264    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2131   .   1   1   3    HIS   HA     H   5.608     -0.464   5.302    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2132   .   1   1   3    HIS   HB2    H   7.825     1.190    4.065    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2133   .   1   1   3    HIS   HB3    H   6.151     1.755    4.204    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2134   .   1   1   3    HIS   HD2    H   5.350     2.517    6.766    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2135   .   1   1   3    HIS   HE1    H   9.141     1.958    8.589    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2136   .   1   1   3    HIS   HE2    H   6.798     2.905    8.922    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2137   .   1   1   3    HIS   N      N   7.496     -1.255   4.940    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2138   .   1   1   3    HIS   ND1    N   8.423     1.412    6.657    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2139   .   1   1   3    HIS   NE2    N   7.119     2.448    8.080    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2140   .   1   1   3    HIS   O      O   5.427     0.249    2.478    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2141   .   1   1   4    TRP   C      C   4.010     -1.944   1.289    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2142   .   1   1   4    TRP   CA     C   5.469     -2.338   1.491    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2143   .   1   1   4    TRP   CB     C   5.628     -3.851   1.332    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2144   .   1   1   4    TRP   CD1    C   7.850     -4.989   0.752    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2145   .   1   1   4    TRP   CD2    C   6.904     -3.892   -0.956   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2146   .   1   1   4    TRP   CE2    C   8.110     -4.466   -1.404   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2147   .   1   1   4    TRP   CE3    C   6.134     -3.153   -1.859   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2148   .   1   1   4    TRP   CG     C   6.757     -4.237   0.426    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2149   .   1   1   4    TRP   CH2    C   7.787     -3.595   -3.575   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2150   .   1   1   4    TRP   CZ2    C   8.560     -4.324   -2.713   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2151   .   1   1   4    TRP   CZ3    C   6.584     -3.012   -3.158   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2152   .   1   1   4    TRP   H      H   6.335     -2.603   3.431    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2153   .   1   1   4    TRP   HA     H   6.070     -1.845   0.728    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2154   .   1   1   4    TRP   HB2    H   5.798     -4.292   2.314    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2155   .   1   1   4    TRP   HB3    H   4.702     -4.254   0.922    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2156   .   1   1   4    TRP   HD1    H   8.042     -5.410   1.728    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2157   .   1   1   4    TRP   HE1    H   9.540     -5.642   -0.362   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2158   .   1   1   4    TRP   HE3    H   5.205     -2.700   -1.547   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2159   .   1   1   4    TRP   HH2    H   8.111     -3.467   -4.598   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2160   .   1   1   4    TRP   HZ2    H   9.488     -4.772   -3.037   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2161   .   1   1   4    TRP   HZ3    H   5.997     -2.443   -3.863   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2162   .   1   1   4    TRP   N      N   5.947     -1.914   2.802    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2163   .   1   1   4    TRP   NE1    N   8.668     -5.131   -0.342   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2164   .   1   1   4    TRP   O      O   3.701     -1.067   0.485    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2165   .   1   1   5    ALA   C      C   1.121     -1.897   3.280    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2166   .   1   1   5    ALA   CA     C   1.690     -2.314   1.928    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2167   .   1   1   5    ALA   CB     C   0.946     -3.527   1.391    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2168   .   1   1   5    ALA   H      H   3.436     -3.310   2.668    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2169   .   1   1   5    ALA   HA     H   1.552     -1.489   1.229    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2170   .   1   1   5    ALA   HB1    H   -0.118    -3.301   1.324    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2171   .   1   1   5    ALA   HB2    H   1.327     -3.778   0.402    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2172   .   1   1   5    ALA   HB3    H   1.096     -4.372   2.063    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2173   .   1   1   5    ALA   N      N   3.118     -2.598   2.026    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2174   .   1   1   5    ALA   O      O   0.680     -2.736   4.065    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2175   .   1   1   6    VAL   C      C   -0.789    -0.579   5.078    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2176   .   1   1   6    VAL   CA     C   0.617     -0.064   4.803    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2177   .   1   1   6    VAL   CB     C   0.599     1.475    4.798    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2178   .   1   1   6    VAL   CG1    C   -0.198    1.996    3.612    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2179   .   1   1   6    VAL   CG2    C   0.033     2.004    6.107    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2180   .   1   1   6    VAL   H      H   1.510     0.046    2.860    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2181   .   1   1   6    VAL   HA     H   1.269     -0.398   5.611    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2182   .   1   1   6    VAL   HB     H   1.626     1.829    4.702    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2183   .   1   1   6    VAL   HG11   H   0.172     2.981    3.329    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2184   .   1   1   6    VAL   HG12   H   -0.086    1.311    2.771    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2185   .   1   1   6    VAL   HG13   H   -1.251    2.068    3.885    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2186   .   1   1   6    VAL   HG21   H   0.027     3.094    6.087    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2187   .   1   1   6    VAL   HG22   H   -0.985    1.638    6.237    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2188   .   1   1   6    VAL   HG23   H   0.651     1.660    6.936    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2189   .   1   1   6    VAL   N      N   1.134     -0.593   3.546    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2190   .   1   1   6    VAL   O      O   -1.154    -0.836   6.225    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2191   .   1   1   7    GLY   C      C   -3.645    -1.369   2.836    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2192   .   1   1   7    GLY   CA     C   -2.938    -1.210   4.166    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2193   .   1   1   7    GLY   H      H   -1.227    -0.497   3.100    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2194   .   1   1   7    GLY   HA2    H   -2.912    -2.178   4.666    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2195   .   1   1   7    GLY   HA3    H   -3.499    -0.508   4.783    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2196   .   1   1   7    GLY   N      N   -1.578    -0.726   4.019    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2197   .   1   1   7    GLY   O      O   -3.886    -2.489   2.382    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2198   .   1   1   8    HIS   C      C   -4.024    0.713    -0.054   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2199   .   1   1   8    HIS   CA     C   -4.667    -0.268   0.919    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2200   .   1   1   8    HIS   CB     C   -6.147    0.071    1.102    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2201   .   1   1   8    HIS   CD2    C   -6.336    1.554    3.226    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2202   .   1   1   8    HIS   CE1    C   -6.854    3.434    2.234    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2203   .   1   1   8    HIS   CG     C   -6.386    1.334    1.882    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2204   .   1   1   8    HIS   H      H   -3.758    0.641    2.633    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2205   .   1   1   8    HIS   HA     H   -4.591    -1.272   0.501    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2206   .   1   1   8    HIS   HB2    H   -6.599    0.185    0.116    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2207   .   1   1   8    HIS   HB3    H   -6.635    -0.757   1.617    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2208   .   1   1   8    HIS   HD2    H   -6.106    0.822    3.987    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2209   .   1   1   8    HIS   HE1    H   -7.111    4.471    2.070    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2210   .   1   1   8    HIS   HE2    H   -6.679    3.361    4.324    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2211   .   1   1   8    HIS   N      N   -3.982    -0.247   2.208    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2212   .   1   1   8    HIS   ND1    N   -6.714    2.534    1.273    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2213   .   1   1   8    HIS   NE2    N   -6.635    2.888    3.433    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2214   .   1   1   8    HIS   O      O   -4.626    1.723    -0.424   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2215   .   1   1   9    LEU   C      C   -2.823    1.400    -2.717   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2216   .   1   1   9    LEU   CA     C   -2.071    1.269    -1.396   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2217   .   1   1   9    LEU   CB     C   -0.669    0.710    -1.648   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2218   .   1   1   9    LEU   CD1    C   -0.642    -0.657   -3.749   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2219   .   1   1   9    LEU   CD2    C   0.645     -1.422   -1.745   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2220   .   1   1   9    LEU   CG     C   -0.605    -0.702   -2.229   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2221   .   1   1   9    LEU   H      H   -2.356    -0.429   -0.126   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2222   .   1   1   9    LEU   HA     H   -1.974    2.260    -0.952   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2223   .   1   1   9    LEU   HB2    H   -0.164    1.380    -2.343   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2224   .   1   1   9    LEU   HB3    H   -0.122    0.718    -0.705   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2225   .   1   1   9    LEU   HD11   H   -1.543    -0.139   -4.076   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2226   .   1   1   9    LEU   HD12   H   -0.644    -1.673   -4.143   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2227   .   1   1   9    LEU   HD13   H   0.236     -0.127   -4.118   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2228   .   1   1   9    LEU   HD21   H   0.653     -1.444   -0.655   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2229   .   1   1   9    LEU   HD22   H   0.649     -2.442   -2.129   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2230   .   1   1   9    LEU   HD23   H   1.529     -0.895   -2.104   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2231   .   1   1   9    LEU   HG     H   -1.477    -1.257   -1.881   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2232   .   1   1   9    LEU   N      N   -2.797    0.413    -0.466   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2233   .   1   1   9    LEU   O      O   -2.731    2.421    -3.398   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2234   .   1   1   10   MET   C      C   -5.253    1.579    -4.381   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2235   .   1   1   10   MET   CA     C   -4.341    0.358    -4.310   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2236   .   1   1   10   MET   CB     C   -5.171    -0.921   -4.418   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2237   .   1   1   10   MET   CE     C   -8.485    -2.638   -3.652   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2238   .   1   1   10   MET   CG     C   -6.238    -1.046   -3.343   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2239   .   1   1   10   MET   H      H   -3.604    -0.451   -2.470   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2240   .   1   1   10   MET   HA     H   -3.647    0.394    -5.151   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2241   .   1   1   10   MET   HB2    H   -5.661    -0.933   -5.392   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2242   .   1   1   10   MET   HB3    H   -4.503    -1.780   -4.351   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2243   .   1   1   10   MET   HE1    H   -8.960    -3.615   -3.563   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2244   .   1   1   10   MET   HE2    H   -8.510    -2.316   -4.693   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2245   .   1   1   10   MET   HE3    H   -9.021    -1.916   -3.036   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2246   .   1   1   10   MET   HG2    H   -5.838    -0.666   -2.403   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2247   .   1   1   10   MET   HG3    H   -7.097    -0.442   -3.632   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2248   .   1   1   10   MET   N      N   -3.569    0.359    -3.072   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2249   .   1   1   10   MET   O      O   -5.370    2.219    -5.427   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   15   .   2250   .   1   1   10   MET   SD     S   -6.784    -2.748   -3.101   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2251   .   1   1   1    GLY   C      C   9.276     3.431    5.375    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2252   .   1   1   1    GLY   CA     C   8.978     4.226    6.632    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2253   .   1   1   1    GLY   H1     H   9.841     4.559    8.434    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2254   .   1   1   1    GLY   H2     H   9.393     2.991    8.183    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2255   .   1   1   1    GLY   H3     H   10.730    3.597    7.431    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2256   .   1   1   1    GLY   HA2    H   7.929     4.085    6.894    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2257   .   1   1   1    GLY   HA3    H   9.155     5.282    6.433    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2258   .   1   1   1    GLY   N      N   9.798     3.812    7.755    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2259   .   1   1   1    GLY   O      O   9.479     4.005    4.306    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2260   .   1   1   2    ASN   C      C   8.589     0.079    4.317    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2261   .   1   1   2    ASN   CA     C   9.581     1.236    4.370    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2262   .   1   1   2    ASN   CB     C   11.009    0.694    4.455    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2263   .   1   1   2    ASN   CG     C   12.051    1.792    4.355    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2264   .   1   1   2    ASN   H      H   9.126     1.699    6.410    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2265   .   1   1   2    ASN   HA     H   9.484     1.817    3.453    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2266   .   1   1   2    ASN   HB2    H   11.133    0.180    5.408    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2267   .   1   1   2    ASN   HB3    H   11.167    -0.019   3.645    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2268   .   1   1   2    ASN   HD21   H   12.016    2.052    6.369    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2269   .   1   1   2    ASN   HD22   H   13.114    3.095    5.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2270   .   1   1   2    ASN   N      N   9.303     2.110    5.504    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2271   .   1   1   2    ASN   ND2    N   12.423    2.359    5.497    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2272   .   1   1   2    ASN   O      O   8.941     -1.040   3.942    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2273   .   1   1   2    ASN   OD1    O   12.515    2.125    3.265    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2274   .   1   1   3    HIS   C      C   5.755     -0.876   3.285    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2275   .   1   1   3    HIS   CA     C   6.300     -0.663   4.694    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2276   .   1   1   3    HIS   CB     C   5.167     -0.264   5.636    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2277   .   1   1   3    HIS   CD2    C   6.310     -1.453   7.643    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2278   .   1   1   3    HIS   CE1    C   5.263     -0.401   9.251    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2279   .   1   1   3    HIS   CG     C   5.443     -0.561   7.084    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2280   .   1   1   3    HIS   H      H   7.118     1.292    4.999    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2281   .   1   1   3    HIS   HA     H   6.729     -1.601   5.046    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2282   .   1   1   3    HIS   HB2    H   4.981     0.804    5.528    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2283   .   1   1   3    HIS   HB3    H   4.269     -0.807   5.340    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2284   .   1   1   3    HIS   HD2    H   6.971     -2.123   7.113    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2285   .   1   1   3    HIS   HE1    H   4.946     -0.089   10.235   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2286   .   1   1   3    HIS   HE2    H   6.693     -1.865   9.710    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2287   .   1   1   3    HIS   N      N   7.345     0.354    4.699    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2288   .   1   1   3    HIS   ND1    N   4.791     0.094    8.116    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2289   .   1   1   3    HIS   NE2    N   6.183     -1.338   9.015    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2290   .   1   1   3    HIS   O      O   5.235     0.049    2.663    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2291   .   1   1   4    TRP   C      C   3.946     -2.010   1.271    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2292   .   1   1   4    TRP   CA     C   5.399     -2.436   1.452    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2293   .   1   1   4    TRP   CB     C   5.537     -3.939   1.199    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2294   .   1   1   4    TRP   CD1    C   7.719     -5.078   0.484    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2295   .   1   1   4    TRP   CD2    C   6.759     -3.837   -1.116   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2296   .   1   1   4    TRP   CE2    C   7.941     -4.403   -1.632   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2297   .   1   1   4    TRP   CE3    C   5.989     -3.017   -1.942   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2298   .   1   1   4    TRP   CG     C   6.636     -4.281   0.239    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2299   .   1   1   4    TRP   CH2    C   7.591     -3.366   -3.726   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2300   .   1   1   4    TRP   CZ2    C   8.367     -4.174   -2.939   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2301   .   1   1   4    TRP   CZ3    C   6.411     -2.789   -3.238   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2302   .   1   1   4    TRP   H      H   6.313     -2.820   3.350    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2303   .   1   1   4    TRP   HA     H   6.010     -1.905   0.722    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2304   .   1   1   4    TRP   HB2    H   5.742     -4.432   2.150    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2305   .   1   1   4    TRP   HB3    H   4.594     -4.317   0.804    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2306   .   1   1   4    TRP   HD1    H   7.925     -5.574   1.421    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2307   .   1   1   4    TRP   HE1    H   9.365     -5.683   -0.719   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2308   .   1   1   4    TRP   HE3    H   5.078     -2.567   -1.574   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2309   .   1   1   4    TRP   HH2    H   7.894     -3.170   -4.744   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2310   .   1   1   4    TRP   HZ2    H   9.276     -4.617   -3.317   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2311   .   1   1   4    TRP   HZ3    H   5.822     -2.156   -3.886   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2312   .   1   1   4    TRP   N      N   5.878     -2.102   2.788    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2313   .   1   1   4    TRP   NE1    N   8.507     -5.156   -0.639   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2314   .   1   1   4    TRP   O      O   3.655     -1.063   0.542    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2315   .   1   1   5    ALA   C      C   1.044     -2.078   3.232    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2316   .   1   1   5    ALA   CA     C   1.617     -2.404   1.857    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2317   .   1   1   5    ALA   CB     C   0.861     -3.567   1.229    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2318   .   1   1   5    ALA   H      H   3.343     -3.481   2.524    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2319   .   1   1   5    ALA   HA     H   1.494     -1.530   1.218    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2320   .   1   1   5    ALA   HB1    H   0.638     -4.311   1.994    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2321   .   1   1   5    ALA   HB2    H   -0.069    -3.203   0.794    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2322   .   1   1   5    ALA   HB3    H   1.474     -4.020   0.450    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2323   .   1   1   5    ALA   N      N   3.039     -2.713   1.942    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2324   .   1   1   5    ALA   O      O   0.580     -2.966   3.949    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2325   .   1   1   6    VAL   C      C   -0.860    -0.860   5.107    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2326   .   1   1   6    VAL   CA     C   0.559     -0.356   4.884    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2327   .   1   1   6    VAL   CB     C   0.573     1.178    4.995    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2328   .   1   1   6    VAL   CG1    C   -0.203    1.804    3.844    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2329   .   1   1   6    VAL   CG2    C   0.004     1.621    6.334    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2330   .   1   1   6    VAL   H      H   1.474     -0.120   2.961    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2331   .   1   1   6    VAL   HA     H   1.195     -0.763   5.670    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2332   .   1   1   6    VAL   HB     H   1.608     1.517    4.933    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2333   .   1   1   6    VAL   HG11   H   0.193     2.798    3.636    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2334   .   1   1   6    VAL   HG12   H   -0.104    1.179    2.957    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2335   .   1   1   6    VAL   HG13   H   -1.256    1.883    4.117    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2336   .   1   1   6    VAL   HG21   H   0.575     1.161    7.141    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2337   .   1   1   6    VAL   HG22   H   -1.039    1.312    6.405    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2338   .   1   1   6    VAL   HG23   H   0.068     2.706    6.416    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2339   .   1   1   6    VAL   N      N   1.078     -0.801   3.594    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2340   .   1   1   6    VAL   O      O   -1.234    -1.221   6.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2341   .   1   1   7    GLY   C      C   -3.853    -0.966   2.929    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2342   .   1   1   7    GLY   CA     C   -3.023    -1.346   4.139    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2343   .   1   1   7    GLY   H      H   -1.292    -0.577   3.146    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2344   .   1   1   7    GLY   HA2    H   -3.020    -2.432   4.234    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2345   .   1   1   7    GLY   HA3    H   -3.478    -0.913   5.030    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2346   .   1   1   7    GLY   N      N   -1.651    -0.884   4.039    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2347   .   1   1   7    GLY   O      O   -4.839    -1.633   2.610    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2348   .   1   1   8    HIS   C      C   -3.665    -0.129   -0.184   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2349   .   1   1   8    HIS   CA     C   -4.171    0.575    1.072    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2350   .   1   1   8    HIS   CB     C   -4.013    2.087    0.920    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2351   .   1   1   8    HIS   CD2    C   -1.438    1.844    0.702    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2352   .   1   1   8    HIS   CE1    C   -0.910    3.945    1.020    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2353   .   1   1   8    HIS   CG     C   -2.584    2.553    0.900    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2354   .   1   1   8    HIS   H      H   -2.639    0.612    2.567    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2355   .   1   1   8    HIS   HA     H   -5.230    0.348    1.194    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2356   .   1   1   8    HIS   HB2    H   -4.495    2.397    -0.007   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2357   .   1   1   8    HIS   HB3    H   -4.520    2.570    1.755    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2358   .   1   1   8    HIS   HD2    H   -1.364    0.782    0.519    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2359   .   1   1   8    HIS   HE1    H   -0.335    4.852    1.134    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2360   .   1   1   8    HIS   HE2    H   0.595     2.523    0.676    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2361   .   1   1   8    HIS   N      N   -3.456    0.107    2.254    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2362   .   1   1   8    HIS   ND1    N   -2.232    3.878    1.098    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2363   .   1   1   8    HIS   NE2    N   -0.386    2.740    0.780    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2364   .   1   1   8    HIS   O      O   -3.279    0.519    -1.158   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2365   .   1   1   9    LEU   C      C   -4.382    -2.901   -2.009   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2366   .   1   1   9    LEU   CA     C   -3.206    -2.249   -1.289   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2367   .   1   1   9    LEU   CB     C   -2.221    -3.322   -0.821   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2368   .   1   1   9    LEU   CD1    C   -0.181    -3.245   -2.276   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2369   .   1   1   9    LEU   CD2    C   -1.069    -5.447   -1.487   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2370   .   1   1   9    LEU   CG     C   -1.433    -4.033   -1.920   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2371   .   1   1   9    LEU   H      H   -3.996    -1.929   0.676    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2372   .   1   1   9    LEU   HA     H   -2.694    -1.588   -1.988   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2373   .   1   1   9    LEU   HB2    H   -1.504    -2.847   -0.151   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2374   .   1   1   9    LEU   HB3    H   -2.774    -4.072   -0.256   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2375   .   1   1   9    LEU   HD11   H   -0.461    -2.237   -2.584   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2376   .   1   1   9    LEU   HD12   H   0.473     -3.190   -1.406   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2377   .   1   1   9    LEU   HD13   H   0.341     -3.742   -3.093   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2378   .   1   1   9    LEU   HD21   H   -1.977    -5.995   -1.236   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2379   .   1   1   9    LEU   HD22   H   -0.419    -5.403   -0.613   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2380   .   1   1   9    LEU   HD23   H   -0.551    -5.954   -2.300   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2381   .   1   1   9    LEU   HG     H   -2.062    -4.097   -2.808   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2382   .   1   1   9    LEU   N      N   -3.667    -1.457   -0.153   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2383   .   1   1   9    LEU   O      O   -4.766    -4.027   -1.697   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2384   .   1   1   10   MET   C      C   -5.595    -3.514   -4.940   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2385   .   1   1   10   MET   CA     C   -6.077    -2.698   -3.744   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2386   .   1   1   10   MET   CB     C   -6.960    -1.544   -4.222   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2387   .   1   1   10   MET   CE     C   -8.046    1.572    -2.391   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2388   .   1   1   10   MET   CG     C   -7.969    -1.082   -3.185   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2389   .   1   1   10   MET   H      H   -4.585    -1.267   -3.186   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2390   .   1   1   10   MET   HA     H   -6.670    -3.345   -3.098   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2391   .   1   1   10   MET   HB2    H   -6.322    -0.702   -4.491   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2392   .   1   1   10   MET   HB3    H   -7.503    -1.871   -5.109   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2393   .   1   1   10   MET   HE1    H   -7.701    2.360    -1.720   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2394   .   1   1   10   MET   HE2    H   -9.126    1.461    -2.295   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2395   .   1   1   10   MET   HE3    H   -7.797    1.836    -3.419   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2396   .   1   1   10   MET   HG2    H   -8.779    -0.560   -3.694   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2397   .   1   1   10   MET   HG3    H   -8.377    -1.954   -2.674   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2398   .   1   1   10   MET   N      N   -4.947    -2.186   -2.977   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2399   .   1   1   10   MET   O      O   -5.666    -3.061   -6.083   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   16   .   2400   .   1   1   10   MET   SD     S   -7.247    0.029    -1.960   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2401   .   1   1   1    GLY   C      C   10.788    2.747    6.033    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2402   .   1   1   1    GLY   CA     C   12.184    2.530    6.579    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2403   .   1   1   1    GLY   H1     H   13.127    1.830    8.230    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2404   .   1   1   1    GLY   H2     H   11.710    1.059    7.888    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2405   .   1   1   1    GLY   H3     H   11.688    2.573    8.542    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2406   .   1   1   1    GLY   HA2    H   12.698    3.491    6.616    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2407   .   1   1   1    GLY   HA3    H   12.728    1.865    5.908    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2408   .   1   1   1    GLY   N      N   12.177    1.954    7.911    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2409   .   1   1   1    GLY   O      O   10.090    3.672    6.445    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2410   .   1   1   2    ASN   C      C   8.400     0.624    4.384    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2411   .   1   1   2    ASN   CA     C   9.057     1.997    4.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2412   .   1   1   2    ASN   CB     C   9.157     2.640    3.111    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2413   .   1   1   2    ASN   CG     C   9.908     1.769    2.120    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2414   .   1   1   2    ASN   H      H   11.000    1.152    4.803    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2415   .   1   1   2    ASN   HA     H   8.435     2.630    5.127    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2416   .   1   1   2    ASN   HB2    H   8.150     2.811    2.731    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2417   .   1   1   2    ASN   HB3    H   9.670     3.597    3.201    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2418   .   1   1   2    ASN   HD21   H   8.160     1.054    1.374    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2419   .   1   1   2    ASN   HD22   H   9.611     0.422    0.630    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2420   .   1   1   2    ASN   N      N   10.379    1.892    5.100    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2421   .   1   1   2    ASN   ND2    N   9.167     1.022    1.310    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2422   .   1   1   2    ASN   O      O   9.009     -0.331   3.900    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2423   .   1   1   2    ASN   OD1    O   11.138    1.769    2.087    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2424   .   1   1   3    HIS   C      C   5.955     -1.028   3.366    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2425   .   1   1   3    HIS   CA     C   6.413     -0.723   4.789    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2426   .   1   1   3    HIS   CB     C   5.204     -0.663   5.724    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2427   .   1   1   3    HIS   CD2    C   3.482     -2.600   5.909    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2428   .   1   1   3    HIS   CE1    C   4.730     -4.002   7.036    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2429   .   1   1   3    HIS   CG     C   4.695     -2.019   6.131    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2430   .   1   1   3    HIS   H      H   6.709     1.353    5.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2431   .   1   1   3    HIS   HA     H   7.069     -1.527   5.122    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2432   .   1   1   3    HIS   HB2    H   5.490     -0.117   6.623    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2433   .   1   1   3    HIS   HB3    H   4.400     -0.121   5.225    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2434   .   1   1   3    HIS   HD2    H   2.648     -2.162   5.381    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2435   .   1   1   3    HIS   HE1    H   5.060     -4.884   7.564    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2436   .   1   1   3    HIS   HE2    H   2.775     -4.534   6.497    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2437   .   1   1   3    HIS   N      N   7.154     0.532    4.837    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2438   .   1   1   3    HIS   ND1    N   5.469     -2.919   6.845    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2439   .   1   1   3    HIS   NE2    N   3.522     -3.855   6.489    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2440   .   1   1   3    HIS   O      O   5.485     -0.143   2.651    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2441   .   1   1   4    TRP   C      C   4.228     -2.380   1.365    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2442   .   1   1   4    TRP   CA     C   5.695     -2.708   1.623    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2443   .   1   1   4    TRP   CB     C   5.934     -4.208   1.447    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2444   .   1   1   4    TRP   CD1    C   8.244     -5.230   1.012    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2445   .   1   1   4    TRP   CD2    C   7.373     -4.140   -0.741   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2446   .   1   1   4    TRP   CE2    C   8.634     -4.649   -1.110   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2447   .   1   1   4    TRP   CE3    C   6.637     -3.419   -1.684   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2448   .   1   1   4    TRP   CG     C   7.142     -4.522   0.619    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2449   .   1   1   4    TRP   CH2    C   8.429     -3.747   -3.283   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2450   .   1   1   4    TRP   CZ2    C   9.173     -4.458   -2.380   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2451   .   1   1   4    TRP   CZ3    C   7.173     -3.230   -2.944   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2452   .   1   1   4    TRP   H      H   6.484     -2.967   3.597    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2453   .   1   1   4    TRP   HA     H   6.304     -2.172   0.895    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2454   .   1   1   4    TRP   HB2    H   6.052     -4.663   2.430    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2455   .   1   1   4    TRP   HB3    H   5.060     -4.642   0.961    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2456   .   1   1   4    TRP   HD1    H   8.385     -5.662   1.992    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2457   .   1   1   4    TRP   HE1    H   10.039    -5.778   0.012    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2458   .   1   1   4    TRP   HE3    H   5.666     -3.016   -1.433   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2459   .   1   1   4    TRP   HH2    H   8.819     -3.582   -4.277   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2460   .   1   1   4    TRP   HZ2    H   10.141    -4.856   -2.643   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2461   .   1   1   4    TRP   HZ3    H   6.612     -2.673   -3.681   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2462   .   1   1   4    TRP   N      N   6.094     -2.286   2.962    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2463   .   1   1   4    TRP   NE1    N   9.145     -5.309   -0.023   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2464   .   1   1   4    TRP   O      O   3.907     -1.572   0.494    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2465   .   1   1   5    ALA   C      C   1.320     -2.163   3.242    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2466   .   1   1   5    ALA   CA     C   1.909     -2.785   1.980    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2467   .   1   1   5    ALA   CB     C   1.199     -4.090   1.652    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2468   .   1   1   5    ALA   H      H   3.668     -3.663   2.825    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2469   .   1   1   5    ALA   HA     H   1.754     -2.093   1.152    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2470   .   1   1   5    ALA   HB1    H   0.130     -3.905   1.545    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2471   .   1   1   5    ALA   HB2    H   1.593     -4.493   0.720    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2472   .   1   1   5    ALA   HB3    H   1.365     -4.806   2.457    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2473   .   1   1   5    ALA   N      N   3.341     -3.011   2.127    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2474   .   1   1   5    ALA   O      O   0.850     -2.869   4.134    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2475   .   1   1   6    VAL   C      C   -0.604    -0.566   4.782    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2476   .   1   1   6    VAL   CA     C   0.817     -0.117   4.465    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2477   .   1   1   6    VAL   CB     C   0.825     1.404    4.228    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2478   .   1   1   6    VAL   CG1    C   0.235     2.133    5.427    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2479   .   1   1   6    VAL   CG2    C   2.235     1.892    3.938    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2480   .   1   1   6    VAL   H      H   1.751     -0.311   2.547    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2481   .   1   1   6    VAL   HA     H   1.448     -0.335   5.327    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2482   .   1   1   6    VAL   HB     H   0.204     1.618    3.359    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2483   .   1   1   6    VAL   HG11   H   -0.774    1.767    5.615    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2484   .   1   1   6    VAL   HG12   H   0.201     3.202    5.221    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2485   .   1   1   6    VAL   HG13   H   0.857     1.951    6.304    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2486   .   1   1   6    VAL   HG21   H   2.636     1.356    3.077    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2487   .   1   1   6    VAL   HG22   H   2.869     1.709    4.806    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2488   .   1   1   6    VAL   HG23   H   2.213     2.960    3.723    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2489   .   1   1   6    VAL   N      N   1.350     -0.835   3.311    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2490   .   1   1   6    VAL   O      O   -0.908    -0.943   5.912    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2491   .   1   1   7    GLY   C      C   -3.619    -1.013   2.662    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2492   .   1   1   7    GLY   CA     C   -2.853    -0.926   3.968    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2493   .   1   1   7    GLY   H      H   -1.167    -0.204   2.867    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2494   .   1   1   7    GLY   HA2    H   -2.872    -1.900   4.456    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2495   .   1   1   7    GLY   HA3    H   -3.344    -0.197   4.613    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2496   .   1   1   7    GLY   N      N   -1.472    -0.522   3.776    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2497   .   1   1   7    GLY   O      O   -3.436    -1.953   1.889    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2498   .   1   1   8    HIS   C      C   -4.684    0.971    0.183    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2499   .   1   1   8    HIS   CA     C   -5.279    -0.001   1.196    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2500   .   1   1   8    HIS   CB     C   -6.722    0.395    1.514    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2501   .   1   1   8    HIS   CD2    C   -8.498    0.981    -0.286   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2502   .   1   1   8    HIS   CE1    C   -8.754    -1.029   -1.119   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2503   .   1   1   8    HIS   CG     C   -7.677    0.125    0.386    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2504   .   1   1   8    HIS   H      H   -4.585    0.713    3.093    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2505   .   1   1   8    HIS   HA     H   -5.281    -1.000   0.759    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2506   .   1   1   8    HIS   HB2    H   -7.051    -0.168   2.388    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2507   .   1   1   8    HIS   HB3    H   -6.751    1.459    1.751    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2508   .   1   1   8    HIS   HD2    H   -8.601    2.042    -0.111   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2509   .   1   1   8    HIS   HE1    H   -9.103    -1.850   -1.728   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2510   .   1   1   8    HIS   HE2    H   -9.855    0.579    -1.896   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2511   .   1   1   8    HIS   N      N   -4.481    -0.031   2.417    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2512   .   1   1   8    HIS   ND1    N   -7.853    -1.139   -0.154   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2513   .   1   1   8    HIS   NE2    N   -9.173    0.233    -1.237   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2514   .   1   1   8    HIS   O      O   -5.094    2.130    0.106    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2515   .   1   1   9    LEU   C      C   -3.211    0.703    -2.988   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2516   .   1   1   9    LEU   CA     C   -3.066    1.321    -1.602   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2517   .   1   1   9    LEU   CB     C   -1.586    1.502    -1.264   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2518   .   1   1   9    LEU   CD1    C   0.684     0.472    -1.533   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2519   .   1   1   9    LEU   CD2    C   -0.847    -0.336   0.273    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2520   .   1   1   9    LEU   CG     C   -0.763    0.218    -1.142   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2521   .   1   1   9    LEU   H      H   -3.426    -0.467   -0.478   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2522   .   1   1   9    LEU   HA     H   -3.543    2.301    -1.607   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2523   .   1   1   9    LEU   HB2    H   -1.137    2.111    -2.048   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2524   .   1   1   9    LEU   HB3    H   -1.513    2.046    -0.323   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2525   .   1   1   9    LEU   HD11   H   0.723     0.868    -2.548   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2526   .   1   1   9    LEU   HD12   H   1.125     1.194    -0.845   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2527   .   1   1   9    LEU   HD13   H   1.243     -0.462   -1.486   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2528   .   1   1   9    LEU   HD21   H   -1.890    -0.511   0.534    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2529   .   1   1   9    LEU   HD22   H   -0.296    -1.275   0.328    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2530   .   1   1   9    LEU   HD23   H   -0.413    0.381    0.970    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2531   .   1   1   9    LEU   HG     H   -1.179    -0.522   -1.825   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2532   .   1   1   9    LEU   N      N   -3.717    0.493    -0.591   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2533   .   1   1   9    LEU   O      O   -2.339    0.860    -3.842   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2534   .   1   1   10   MET   C      C   -5.770    0.013    -5.189   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2535   .   1   1   10   MET   CA     C   -4.579    -0.636   -4.491   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2536   .   1   1   10   MET   CB     C   -4.839    -2.132   -4.298   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2537   .   1   1   10   MET   CE     C   -2.853    -4.926   -6.134   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2538   .   1   1   10   MET   CG     C   -3.574    -2.974   -4.303   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2539   .   1   1   10   MET   H      H   -4.998    -0.090   -2.463   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2540   .   1   1   10   MET   HA     H   -3.699    -0.515   -5.122   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2541   .   1   1   10   MET   HB2    H   -5.344    -2.274   -3.343   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2542   .   1   1   10   MET   HB3    H   -5.495    -2.479   -5.096   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2543   .   1   1   10   MET   HE1    H   -2.438    -5.189   -7.107   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2544   .   1   1   10   MET   HE2    H   -2.245    -5.370   -5.347   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2545   .   1   1   10   MET   HE3    H   -3.874    -5.302   -6.061   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2546   .   1   1   10   MET   HG2    H   -2.839    -2.503   -3.651   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2547   .   1   1   10   MET   HG3    H   -3.807    -3.965   -3.915   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2548   .   1   1   10   MET   N      N   -4.319    0.002    -3.206   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2549   .   1   1   10   MET   O      O   -6.141    -0.377   -6.297   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   17   .   2550   .   1   1   10   MET   SD     S   -2.859    -3.144   -5.950   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2551   .   1   1   1    GLY   C      C   8.624     2.933    6.287    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2552   .   1   1   1    GLY   CA     C   8.207     3.829    7.437    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2553   .   1   1   1    GLY   H1     H   8.439     4.008    9.442    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H1     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2554   .   1   1   1    GLY   H2     H   9.731     3.330    8.675    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H2     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2555   .   1   1   1    GLY   H3     H   8.357     2.448    8.912    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   H3     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2556   .   1   1   1    GLY   HA2    H   7.119     3.861    7.485    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2557   .   1   1   1    GLY   HA3    H   8.583     4.835    7.250    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2558   .   1   1   1    GLY   N      N   8.723     3.369    8.713    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2559   .   1   1   1    GLY   O      O   9.274     1.910    6.493    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   1    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2560   .   1   1   2    ASN   C      C   8.086     1.106    4.014    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2561   .   1   1   2    ASN   CA     C   8.584     2.543    3.884    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2562   .   1   1   2    ASN   CB     C   10.096    2.552    3.656    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2563   .   1   1   2    ASN   CG     C   10.584    3.858    3.061    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2564   .   1   1   2    ASN   H      H   7.714     4.172    4.969    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2565   .   1   1   2    ASN   HA     H   8.100     3.001    3.021    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2566   .   1   1   2    ASN   HB2    H   10.595    2.395    4.612    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2567   .   1   1   2    ASN   HB3    H   10.358    1.736    2.982    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2568   .   1   1   2    ASN   HD21   H   12.030    2.883    2.019    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2569   .   1   1   2    ASN   HD22   H   11.983    4.618    1.798    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2570   .   1   1   2    ASN   N      N   8.246     3.320    5.072    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2571   .   1   1   2    ASN   ND2    N   11.615    3.780    2.226    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   ND2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2572   .   1   1   2    ASN   O      O   8.799     0.159    3.684    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2573   .   1   1   2    ASN   OD1    O   10.041    4.926    3.347    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   2    ASN   OD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2574   .   1   1   3    HIS   C      C   5.859     -0.962   3.326    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2575   .   1   1   3    HIS   CA     C   6.263     -0.368   4.671    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2576   .   1   1   3    HIS   CB     C   5.047     -0.286   5.593    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2577   .   1   1   3    HIS   CD2    C   5.260     -2.666   6.611    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2578   .   1   1   3    HIS   CE1    C   3.144     -3.217   6.532    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2579   .   1   1   3    HIS   CG     C   4.562     -1.625   6.078    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2580   .   1   1   3    HIS   H      H   6.323     1.771    4.753    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2581   .   1   1   3    HIS   HA     H   7.003     -1.023   5.130    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2582   .   1   1   3    HIS   HB2    H   5.304     0.328    6.456    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2583   .   1   1   3    HIS   HB3    H   4.235     0.197    5.049    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2584   .   1   1   3    HIS   HD2    H   6.326     -2.702   6.782    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2585   .   1   1   3    HIS   HE1    H   2.226     -3.777   6.631    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2586   .   1   1   3    HIS   HE2    H   4.555     -4.569   7.298    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2587   .   1   1   3    HIS   N      N   6.857     0.953    4.498    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2588   .   1   1   3    HIS   ND1    N   3.227     -1.992   6.036    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2589   .   1   1   3    HIS   NE2    N   4.349     -3.667   6.894    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2590   .   1   1   3    HIS   O      O   5.258     -0.283   2.492    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   3    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2591   .   1   1   4    TRP   C      C   4.379     -2.790   1.559    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2592   .   1   1   4    TRP   CA     C   5.866     -2.915   1.874    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2593   .   1   1   4    TRP   CB     C   6.259     -4.391   1.960    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2594   .   1   1   4    TRP   CD1    C   8.648     -5.241   1.588    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2595   .   1   1   4    TRP   CD2    C   7.598     -4.595   -0.283   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2596   .   1   1   4    TRP   CE2    C   8.891     -5.037   -0.623   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2597   .   1   1   4    TRP   CE3    C   6.752     -4.140   -1.298   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2598   .   1   1   4    TRP   CG     C   7.463     -4.734   1.136    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2599   .   1   1   4    TRP   CH2    C   8.507     -4.586   -2.909   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2600   .   1   1   4    TRP   CZ2    C   9.356     -5.037   -1.935   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2601   .   1   1   4    TRP   CZ3    C   7.214     -4.140   -2.600   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   CZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2602   .   1   1   4    TRP   H      H   6.688     -2.732   3.844    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2603   .   1   1   4    TRP   HA     H   6.432     -2.453   1.065    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2604   .   1   1   4    TRP   HB2    H   6.473     -4.631   3.002    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2605   .   1   1   4    TRP   HB3    H   5.418     -4.998   1.625    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2606   .   1   1   4    TRP   HD1    H   8.872     -5.464   2.620    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2607   .   1   1   4    TRP   HE1    H   10.451    -5.788   0.605    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2608   .   1   1   4    TRP   HE3    H   5.754     -3.795   -1.069   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2609   .   1   1   4    TRP   HH2    H   8.839     -4.573   -3.936   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HH2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2610   .   1   1   4    TRP   HZ2    H   10.352    -5.380   -2.175   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2611   .   1   1   4    TRP   HZ3    H   6.569     -3.791   -3.393   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   HZ3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2612   .   1   1   4    TRP   N      N   6.194     -2.229   3.120    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2613   .   1   1   4    TRP   NE1    N   9.511     -5.425   0.536    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   NE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2614   .   1   1   4    TRP   O      O   4.001     -2.265   0.512    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   4    TRP   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2615   .   1   1   5    ALA   C      C   1.449     -2.326   3.347    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2616   .   1   1   5    ALA   CA     C   2.097     -3.212   2.290    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2617   .   1   1   5    ALA   CB     C   1.501     -4.612   2.334    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2618   .   1   1   5    ALA   H      H   3.916     -3.692   3.310    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2619   .   1   1   5    ALA   HA     H   1.892     -2.782   1.309    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2620   .   1   1   5    ALA   HB1    H   0.421     -4.552   2.197    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2621   .   1   1   5    ALA   HB2    H   1.935     -5.216   1.537    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2622   .   1   1   5    ALA   HB3    H   1.721     -5.070   3.298    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2623   .   1   1   5    ALA   N      N   3.542     -3.273   2.471    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2624   .   1   1   5    ALA   O      O   1.029     -2.804   4.400    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   5    ALA   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2625   .   1   1   6    VAL   C      C   -0.611    -0.534   4.429    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2626   .   1   1   6    VAL   CA     C   0.772     -0.075   3.986    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2627   .   1   1   6    VAL   CB     C   0.661     1.324    3.354    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2628   .   1   1   6    VAL   CG1    C   0.003     2.296    4.321    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2629   .   1   1   6    VAL   CG2    C   2.030     1.828    2.927    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   CG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2630   .   1   1   6    VAL   H      H   1.737     -0.699   2.178    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2631   .   1   1   6    VAL   HA     H   1.410     -0.004   4.868    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2632   .   1   1   6    VAL   HB     H   0.033     1.248    2.466    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2633   .   1   1   6    VAL   HG11   H   -0.976    1.914    4.612    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2634   .   1   1   6    VAL   HG12   H   0.628     2.406    5.207    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2635   .   1   1   6    VAL   HG13   H   -0.116    3.266    3.838    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2636   .   1   1   6    VAL   HG21   H   2.481     1.116    2.235    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2637   .   1   1   6    VAL   HG22   H   1.924     2.795    2.434    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2638   .   1   1   6    VAL   HG23   H   2.668     1.936    3.804    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   HG23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2639   .   1   1   6    VAL   N      N   1.372     -1.030   3.059    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2640   .   1   1   6    VAL   O      O   -0.883    -0.659   5.622    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   6    VAL   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2641   .   1   1   7    GLY   C      C   -3.781    -1.065   2.599    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2642   .   1   1   7    GLY   CA     C   -2.832    -1.228   3.770    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2643   .   1   1   7    GLY   H      H   -1.209    -0.663   2.496    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2644   .   1   1   7    GLY   HA2    H   -2.798    -2.281   4.048    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2645   .   1   1   7    GLY   HA3    H   -3.210    -0.651   4.614    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   HA3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2646   .   1   1   7    GLY   N      N   -1.485    -0.784   3.461    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2647   .   1   1   7    GLY   O      O   -3.978    -1.995   1.816    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   7    GLY   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2648   .   1   1   8    HIS   C      C   -4.977    1.730    0.723    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2649   .   1   1   8    HIS   CA     C   -5.308    0.400    1.394    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2650   .   1   1   8    HIS   CB     C   -6.742    0.426    1.922    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2651   .   1   1   8    HIS   CD2    C   -6.707    2.631    3.294    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2652   .   1   1   8    HIS   CE1    C   -7.425    1.813    5.193    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2653   .   1   1   8    HIS   CG     C   -6.925    1.295    3.136    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2654   .   1   1   8    HIS   H      H   -4.172    0.842    3.154    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2655   .   1   1   8    HIS   HA     H   -5.226    -0.393   0.651    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2656   .   1   1   8    HIS   HB2    H   -7.399    0.786    1.131    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2657   .   1   1   8    HIS   HB3    H   -7.031    -0.592   2.181    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2658   .   1   1   8    HIS   HD2    H   -6.350    3.317    2.539    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2659   .   1   1   8    HIS   HE1    H   -7.741    1.738    6.223    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2660   .   1   1   8    HIS   HE2    H   -6.975    3.856    5.031    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2661   .   1   1   8    HIS   N      N   -4.374    0.119    2.478    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2662   .   1   1   8    HIS   ND1    N   -7.378    0.796    4.346    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   ND1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2663   .   1   1   8    HIS   NE2    N   -7.029    2.943    4.602    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   NE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2664   .   1   1   8    HIS   O      O   -5.869    2.526    0.426    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   8    HIS   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2665   .   1   1   9    LEU   C      C   -3.167    3.035    -1.663   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2666   .   1   1   9    LEU   CA     C   -3.244    3.199    -0.148   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2667   .   1   1   9    LEU   CB     C   -1.876    3.612    0.401    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2668   .   1   1   9    LEU   CD1    C   -0.612    5.482    1.492    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2669   .   1   1   9    LEU   CD2    C   -0.974    5.498    -0.982   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CD2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2670   .   1   1   9    LEU   CG     C   -1.563    5.108    0.367    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2671   .   1   1   9    LEU   H      H   -3.006    1.272    0.755    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2672   .   1   1   9    LEU   HA     H   -3.961    3.987    0.080    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2673   .   1   1   9    LEU   HB2    H   -1.821    3.284    1.440    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2674   .   1   1   9    LEU   HB3    H   -1.106    3.088    -0.165   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2675   .   1   1   9    LEU   HD11   H   -1.049    5.195    2.449    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD11   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2676   .   1   1   9    LEU   HD12   H   0.335     4.960    1.355    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD12   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2677   .   1   1   9    LEU   HD13   H   -0.439    6.558    1.479    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD13   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2678   .   1   1   9    LEU   HD21   H   -1.669    5.223    -1.775   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD21   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2679   .   1   1   9    LEU   HD22   H   -0.803    6.574    -1.005   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD22   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2680   .   1   1   9    LEU   HD23   H   -0.028    4.977    -1.129   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HD23   .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2681   .   1   1   9    LEU   HG     H   -2.494    5.657    0.507    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   HG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2682   .   1   1   9    LEU   N      N   -3.691    1.965    0.488    .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2683   .   1   1   9    LEU   O      O   -3.757    3.814    -2.412   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   9    LEU   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2684   .   1   1   10   MET   C      C   -3.602    1.268    -4.136   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   C      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2685   .   1   1   10   MET   CA     C   -2.287    1.749    -3.531   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2686   .   1   1   10   MET   CB     C   -1.192    0.705    -3.764   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CB     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2687   .   1   1   10   MET   CE     C   -0.974    0.829    -7.860   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CE     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2688   .   1   1   10   MET   CG     C   -0.525    0.816    -5.125   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   CG     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2689   .   1   1   10   MET   H      H   -1.977    1.414    -1.439   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   H      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2690   .   1   1   10   MET   HA     H   -1.994    2.674    -4.029   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HA     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2691   .   1   1   10   MET   HB2    H   -0.429    0.829    -2.996   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2692   .   1   1   10   MET   HB3    H   -1.629    -0.288   -3.668   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HB3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2693   .   1   1   10   MET   HE1    H   -1.437    0.374    -8.735   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE1    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2694   .   1   1   10   MET   HE2    H   0.108     0.844    -7.987   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2695   .   1   1   10   MET   HE3    H   -1.340    1.850    -7.745   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HE3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2696   .   1   1   10   MET   HG2    H   -0.503    1.866    -5.419   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG2    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2697   .   1   1   10   MET   HG3    H   0.498     0.448    -5.049   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   HG3    .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2698   .   1   1   10   MET   N      N   -2.438    2.017    -2.106   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   N      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2699   .   1   1   10   MET   O      O   -3.864    1.473    -5.322   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   O      .   .   .   .   .   .   .   .   .   c25519_2n0b   1    
     .   18   .   2700   .   1   1   10   MET   SD     S   -1.390    -0.121   -6.400   .   .   .   1.0   .   .   .   .   .   .   .   .   .   .   .   .   A   .   10   MET   SD     .   .   .   .   .   .   .   .   .   c25519_2n0b   1    

   stop_

save_

###########################
#  Constraint Statistics  #
###########################

save_constraint_statistics
   _Constraint_stat_list.Sf_framecode  constraint_statistics
   _Constraint_stat_list.Sf_category   constraint_statistics
   _Constraint_stat_list.Entry_ID      c25519_2n0b
   _Constraint_stat_list.ID            1

   loop_
      _Constraint_file.ID
      _Constraint_file.Constraint_filename
      _Constraint_file.Software_ID
      _Constraint_file.Software_label
      _Constraint_file.Software_name
      _Constraint_file.Block_ID
      _Constraint_file.Constraint_type
      _Constraint_file.Constraint_subtype
      _Constraint_file.Constraint_subsubtype
      _Constraint_file.Constraint_number
      _Constraint_file.Entry_ID
      _Constraint_file.Constraint_stat_list_ID

     1   2n0b.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0    c25519_2n0b   1    
     1   2n0b.mr   .   .   DYANA/DIANA   2   distance                 NOE                simple             50   c25519_2n0b   1    
     1   2n0b.mr   .   .   'MR format'   3   'nomenclature mapping'   'Not applicable'   'Not applicable'   0    c25519_2n0b   1    

   stop_

save_

save_DYANA/DIANA_distance_constraints_2
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        DYANA/DIANA_distance_constraints_2
   _Gen_dist_constraint_list.Entry_ID            c25519_2n0b
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            2

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   c25519_2n0b   1    

   stop_

   loop_
      _Gen_dist_constraint.ID
      _Gen_dist_constraint.Member_ID
      _Gen_dist_constraint.Member_logic_code
      _Gen_dist_constraint.Assembly_atom_ID_1
      _Gen_dist_constraint.Entity_assembly_ID_1
      _Gen_dist_constraint.Entity_ID_1
      _Gen_dist_constraint.Comp_index_ID_1
      _Gen_dist_constraint.Seq_ID_1
      _Gen_dist_constraint.Comp_ID_1
      _Gen_dist_constraint.Atom_ID_1
      _Gen_dist_constraint.Atom_type_1
      _Gen_dist_constraint.Atom_isotope_number_1
      _Gen_dist_constraint.Resonance_ID_1
      _Gen_dist_constraint.Assembly_atom_ID_2
      _Gen_dist_constraint.Entity_assembly_ID_2
      _Gen_dist_constraint.Entity_ID_2
      _Gen_dist_constraint.Comp_index_ID_2
      _Gen_dist_constraint.Seq_ID_2
      _Gen_dist_constraint.Comp_ID_2
      _Gen_dist_constraint.Atom_ID_2
      _Gen_dist_constraint.Atom_type_2
      _Gen_dist_constraint.Atom_isotope_number_2
      _Gen_dist_constraint.Resonance_ID_2
      _Gen_dist_constraint.Intensity_val
      _Gen_dist_constraint.Intensity_lower_val_err
      _Gen_dist_constraint.Intensity_upper_val_err
      _Gen_dist_constraint.Distance_val
      _Gen_dist_constraint.Distance_lower_bound_val
      _Gen_dist_constraint.Distance_upper_bound_val
      _Gen_dist_constraint.Contribution_fractional_val
      _Gen_dist_constraint.Spectral_peak_ID
      _Gen_dist_constraint.Spectral_peak_list_ID
      _Gen_dist_constraint.PDB_record_ID_1
      _Gen_dist_constraint.PDB_model_num_1
      _Gen_dist_constraint.PDB_strand_ID_1
      _Gen_dist_constraint.PDB_ins_code_1
      _Gen_dist_constraint.PDB_residue_no_1
      _Gen_dist_constraint.PDB_residue_name_1
      _Gen_dist_constraint.PDB_atom_name_1
      _Gen_dist_constraint.PDB_record_ID_2
      _Gen_dist_constraint.PDB_model_num_2
      _Gen_dist_constraint.PDB_strand_ID_2
      _Gen_dist_constraint.PDB_ins_code_2
      _Gen_dist_constraint.PDB_residue_no_2
      _Gen_dist_constraint.PDB_residue_name_2
      _Gen_dist_constraint.PDB_atom_name_2
      _Gen_dist_constraint.Auth_entity_assembly_ID_1
      _Gen_dist_constraint.Auth_asym_ID_1
      _Gen_dist_constraint.Auth_chain_ID_1
      _Gen_dist_constraint.Auth_seq_ID_1
      _Gen_dist_constraint.Auth_comp_ID_1
      _Gen_dist_constraint.Auth_atom_ID_1
      _Gen_dist_constraint.Auth_alt_ID_1
      _Gen_dist_constraint.Auth_atom_name_1
      _Gen_dist_constraint.Auth_entity_assembly_ID_2
      _Gen_dist_constraint.Auth_asym_ID_2
      _Gen_dist_constraint.Auth_chain_ID_2
      _Gen_dist_constraint.Auth_seq_ID_2
      _Gen_dist_constraint.Auth_comp_ID_2
      _Gen_dist_constraint.Auth_atom_ID_2
      _Gen_dist_constraint.Auth_alt_ID_2
      _Gen_dist_constraint.Auth_atom_name_2
      _Gen_dist_constraint.Entry_ID
      _Gen_dist_constraint.Gen_dist_constraint_list_ID

     1    1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   5   5   ALA   MB    H   .   .   .   .   .   .   .   3.62   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   5   ALA   MB    .   .   .   5   ALA   H     .   .   .   .   .   5   ALA   QB    .   .   c25519_2n0b   1    
     2    1   .    .   1   1   6   6   VAL   H     H   .   .   .   1   1   6   6   VAL   HB    H   .   .   .   .   .   .   .   3.45   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   6   VAL   HB    .   .   .   6   VAL   H     .   .   .   .   .   6   VAL   HB    .   .   c25519_2n0b   1    
     3    1   .    .   1   1   6   6   VAL   H     H   .   .   .   1   1   6   6   VAL   MG1   H   .   .   .   .   .   .   .   4.68   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   6   VAL   MG1   .   .   .   6   VAL   H     .   .   .   .   .   6   VAL   QG1   .   .   c25519_2n0b   1    
     4    1   .    .   1   1   6   6   VAL   H     H   .   .   .   1   1   6   6   VAL   MG2   H   .   .   .   .   .   .   .   4.68   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   6   VAL   MG2   .   .   .   6   VAL   H     .   .   .   .   .   6   VAL   QG2   .   .   c25519_2n0b   1    
     5    1   .    .   1   1   4   4   TRP   H     H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   3.79   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   4   TRP   HB2   .   .   .   4   TRP   H     .   .   .   .   .   4   TRP   HB2   .   .   c25519_2n0b   1    
     6    1   .    .   1   1   4   4   TRP   H     H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   3.79   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   4   TRP   HB3   .   .   .   4   TRP   H     .   .   .   .   .   4   TRP   HB3   .   .   c25519_2n0b   1    
     7    1   .    .   1   1   8   8   HIS   H     H   .   .   .   1   1   8   8   HIS   HB2   H   .   .   .   .   .   .   .   4.13   .   .   .   .   .   A   .   8   HIS   H     .   .   A   .   8   HIS   HB2   .   .   .   8   HIS   H     .   .   .   .   .   8   HIS   HB2   .   .   c25519_2n0b   1    
     8    1   .    .   1   1   8   8   HIS   H     H   .   .   .   1   1   8   8   HIS   HB3   H   .   .   .   .   .   .   .   4.13   .   .   .   .   .   A   .   8   HIS   H     .   .   A   .   8   HIS   HB3   .   .   .   8   HIS   H     .   .   .   .   .   8   HIS   HB3   .   .   c25519_2n0b   1    
     9    1   .    .   1   1   8   8   HIS   H     H   .   .   .   1   1   7   7   GLY   H     H   .   .   .   .   .   .   .   4.19   .   .   .   .   .   A   .   8   HIS   H     .   .   A   .   7   GLY   H     .   .   .   8   HIS   H     .   .   .   .   .   7   GLY   H     .   .   c25519_2n0b   1    
     10   1   .    .   1   1   6   6   VAL   H     H   .   .   .   1   1   7   7   GLY   H     H   .   .   .   .   .   .   .   3.95   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   7   GLY   H     .   .   .   6   VAL   H     .   .   .   .   .   7   GLY   H     .   .   c25519_2n0b   1    
     11   1   .    .   1   1   7   7   GLY   H     H   .   .   .   1   1   9   9   LEU   H     H   .   .   .   .   .   .   .   4.20   .   .   .   .   .   A   .   7   GLY   H     .   .   A   .   9   LEU   H     .   .   .   7   GLY   H     .   .   .   .   .   9   LEU   H     .   .   c25519_2n0b   1    
     12   1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   6   6   VAL   H     H   .   .   .   .   .   .   .   3.84   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   6   VAL   H     .   .   .   5   ALA   H     .   .   .   .   .   6   VAL   H     .   .   c25519_2n0b   1    
     13   1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   H     H   .   .   .   .   .   .   .   3.45   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   H     .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   H     .   .   c25519_2n0b   1    
     14   1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   HE3   H   .   .   .   .   .   .   .   4.74   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   HE3   .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   HE3   .   .   c25519_2n0b   1    
     15   1   .    .   1   1   4   4   TRP   H     H   .   .   .   1   1   4   4   TRP   HE3   H   .   .   .   .   .   .   .   5.13   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   4   TRP   HE3   .   .   .   4   TRP   H     .   .   .   .   .   4   TRP   HE3   .   .   c25519_2n0b   1    
     16   1   .    .   1   1   4   4   TRP   H     H   .   .   .   1   1   4   4   TRP   HD1   H   .   .   .   .   .   .   .   4.55   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   4   TRP   HD1   .   .   .   4   TRP   H     .   .   .   .   .   4   TRP   HD1   .   .   c25519_2n0b   1    
     17   1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   HD1   H   .   .   .   .   .   .   .   5.40   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   HD1   .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   HD1   .   .   c25519_2n0b   1    
     18   1   .    .   1   1   7   7   GLY   H     H   .   .   .   1   1   5   5   ALA   HA    H   .   .   .   .   .   .   .   5.32   .   .   .   .   .   A   .   7   GLY   H     .   .   A   .   5   ALA   HA    .   .   .   7   GLY   H     .   .   .   .   .   5   ALA   HA    .   .   c25519_2n0b   1    
     19   1   .    .   1   1   7   7   GLY   H     H   .   .   .   1   1   8   8   HIS   HA    H   .   .   .   .   .   .   .   5.50   .   .   .   .   .   A   .   7   GLY   H     .   .   A   .   8   HIS   HA    .   .   .   7   GLY   H     .   .   .   .   .   8   HIS   HA    .   .   c25519_2n0b   1    
     20   1   .    .   1   1   6   6   VAL   HB    H   .   .   .   1   1   7   7   GLY   H     H   .   .   .   .   .   .   .   4.22   .   .   .   .   .   A   .   6   VAL   HB    .   .   A   .   7   GLY   H     .   .   .   6   VAL   HB    .   .   .   .   .   7   GLY   H     .   .   c25519_2n0b   1    
     21   1   .    .   1   1   5   5   ALA   MB    H   .   .   .   1   1   7   7   GLY   H     H   .   .   .   .   .   .   .   5.11   .   .   .   .   .   A   .   5   ALA   MB    .   .   A   .   7   GLY   H     .   .   .   5   ALA   QB    .   .   .   .   .   7   GLY   H     .   .   c25519_2n0b   1    
     22   1   .    .   1   1   9   9   LEU   H     H   .   .   .   1   1   8   8   HIS   HA    H   .   .   .   .   .   .   .   3.12   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   8   HIS   HA    .   .   .   9   LEU   H     .   .   .   .   .   8   HIS   HA    .   .   c25519_2n0b   1    
     23   1   .    .   1   1   9   9   LEU   H     H   .   .   .   1   1   8   8   HIS   HB2   H   .   .   .   .   .   .   .   4.79   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   8   HIS   HB2   .   .   .   9   LEU   H     .   .   .   .   .   8   HIS   HB2   .   .   c25519_2n0b   1    
     24   1   .    .   1   1   9   9   LEU   H     H   .   .   .   1   1   8   8   HIS   HB3   H   .   .   .   .   .   .   .   4.79   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   8   HIS   HB3   .   .   .   9   LEU   H     .   .   .   .   .   8   HIS   HB3   .   .   c25519_2n0b   1    
     25   1   .    .   1   1   6   6   VAL   H     H   .   .   .   1   1   5   5   ALA   HA    H   .   .   .   .   .   .   .   2.87   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   5   ALA   HA    .   .   .   6   VAL   H     .   .   .   .   .   5   ALA   HA    .   .   c25519_2n0b   1    
     26   1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   4.18   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   HB2   .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   HB2   .   .   c25519_2n0b   1    
     27   1   .    .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   4.18   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   HB3   .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   HB3   .   .   c25519_2n0b   1    
     28   1   .    .   1   1   4   4   TRP   H     H   .   .   .   1   1   3   3   HIS   HA    H   .   .   .   .   .   .   .   3.08   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   3   HIS   HA    .   .   .   4   TRP   H     .   .   .   .   .   3   HIS   HA    .   .   c25519_2n0b   1    
     29   1   .    .   1   1   5   5   ALA   MB    H   .   .   .   1   1   6   6   VAL   H     H   .   .   .   .   .   .   .   4.14   .   .   .   .   .   A   .   5   ALA   MB    .   .   A   .   6   VAL   H     .   .   .   5   ALA   QB    .   .   .   .   .   6   VAL   H     .   .   c25519_2n0b   1    
     30   1   .    .   1   1   4   4   TRP   HE3   H   .   .   .   1   1   4   4   TRP   HA    H   .   .   .   .   .   .   .   3.97   .   .   .   .   .   A   .   4   TRP   HE3   .   .   A   .   4   TRP   HA    .   .   .   4   TRP   HE3   .   .   .   .   .   4   TRP   HA    .   .   c25519_2n0b   1    
     31   1   .    .   1   1   4   4   TRP   HE3   H   .   .   .   1   1   5   5   ALA   HA    H   .   .   .   .   .   .   .   4.86   .   .   .   .   .   A   .   4   TRP   HE3   .   .   A   .   5   ALA   HA    .   .   .   4   TRP   HE3   .   .   .   .   .   5   ALA   HA    .   .   c25519_2n0b   1    
     32   1   .    .   1   1   4   4   TRP   HD1   H   .   .   .   1   1   4   4   TRP   HA    H   .   .   .   .   .   .   .   4.31   .   .   .   .   .   A   .   4   TRP   HD1   .   .   A   .   4   TRP   HA    .   .   .   4   TRP   HD1   .   .   .   .   .   4   TRP   HA    .   .   c25519_2n0b   1    
     33   1   .    .   1   1   4   4   TRP   HD1   H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   3.74   .   .   .   .   .   A   .   4   TRP   HD1   .   .   A   .   4   TRP   HB2   .   .   .   4   TRP   HD1   .   .   .   .   .   4   TRP   HB2   .   .   c25519_2n0b   1    
     34   1   .    .   1   1   4   4   TRP   HD1   H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   3.74   .   .   .   .   .   A   .   4   TRP   HD1   .   .   A   .   4   TRP   HB3   .   .   .   4   TRP   HD1   .   .   .   .   .   4   TRP   HB3   .   .   c25519_2n0b   1    
     35   1   .    .   1   1   5   5   ALA   HA    H   .   .   .   1   1   6   6   VAL   HA    H   .   .   .   .   .   .   .   5.09   .   .   .   .   .   A   .   5   ALA   HA    .   .   A   .   6   VAL   HA    .   .   .   5   ALA   HA    .   .   .   .   .   6   VAL   HA    .   .   c25519_2n0b   1    
     36   1   .    .   1   1   5   5   ALA   HA    H   .   .   .   1   1   4   4   TRP   HA    H   .   .   .   .   .   .   .   4.96   .   .   .   .   .   A   .   5   ALA   HA    .   .   A   .   4   TRP   HA    .   .   .   5   ALA   HA    .   .   .   .   .   4   TRP   HA    .   .   c25519_2n0b   1    
     37   1   .    .   1   1   5   5   ALA   MB    H   .   .   .   1   1   6   6   VAL   HA    H   .   .   .   .   .   .   .   5.29   .   .   .   .   .   A   .   5   ALA   MB    .   .   A   .   6   VAL   HA    .   .   .   5   ALA   QB    .   .   .   .   .   6   VAL   HA    .   .   c25519_2n0b   1    
     38   1   .    .   1   1   6   6   VAL   HB    H   .   .   .   1   1   5   5   ALA   HA    H   .   .   .   .   .   .   .   5.03   .   .   .   .   .   A   .   6   VAL   HB    .   .   A   .   5   ALA   HA    .   .   .   6   VAL   HB    .   .   .   .   .   5   ALA   HA    .   .   c25519_2n0b   1    
     39   1   .    .   1   1   5   5   ALA   HA    H   .   .   .   1   1   6   6   VAL   MG1   H   .   .   .   .   .   .   .   5.50   .   .   .   .   .   A   .   5   ALA   HA    .   .   A   .   6   VAL   MG1   .   .   .   5   ALA   HA    .   .   .   .   .   6   VAL   QG1   .   .   c25519_2n0b   1    
     40   1   .    .   1   1   5   5   ALA   HA    H   .   .   .   1   1   6   6   VAL   MG2   H   .   .   .   .   .   .   .   5.50   .   .   .   .   .   A   .   5   ALA   HA    .   .   A   .   6   VAL   MG2   .   .   .   5   ALA   HA    .   .   .   .   .   6   VAL   QG2   .   .   c25519_2n0b   1    
     41   1   OR   .   1   1   4   4   TRP   H     H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   3.24   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   4   TRP   HB3   .   .   .   4   TRP   H     .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     41   2   OR   .   1   1   4   4   TRP   H     H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   3.24   .   .   .   .   .   A   .   4   TRP   H     .   .   A   .   4   TRP   HB2   .   .   .   4   TRP   H     .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     42   1   OR   .   1   1   4   4   TRP   HD1   H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   3.22   .   .   .   .   .   A   .   4   TRP   HD1   .   .   A   .   4   TRP   HB3   .   .   .   4   TRP   HD1   .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     42   2   OR   .   1   1   4   4   TRP   HD1   H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   3.22   .   .   .   .   .   A   .   4   TRP   HD1   .   .   A   .   4   TRP   HB2   .   .   .   4   TRP   HD1   .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     43   1   OR   .   1   1   4   4   TRP   HE3   H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   3.58   .   .   .   .   .   A   .   4   TRP   HE3   .   .   A   .   4   TRP   HB3   .   .   .   4   TRP   HE3   .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     43   2   OR   .   1   1   4   4   TRP   HE3   H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   3.58   .   .   .   .   .   A   .   4   TRP   HE3   .   .   A   .   4   TRP   HB2   .   .   .   4   TRP   HE3   .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     44   1   OR   .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   HB3   H   .   .   .   .   .   .   .   3.64   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   HB3   .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     44   2   OR   .   1   1   5   5   ALA   H     H   .   .   .   1   1   4   4   TRP   HB2   H   .   .   .   .   .   .   .   3.64   .   .   .   .   .   A   .   5   ALA   H     .   .   A   .   4   TRP   HB2   .   .   .   5   ALA   H     .   .   .   .   .   4   TRP   QB    .   .   c25519_2n0b   1    
     45   1   OR   .   1   1   6   6   VAL   H     H   .   .   .   1   1   6   6   VAL   MG1   H   .   .   .   .   .   .   .   4.00   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   6   VAL   MG1   .   .   .   6   VAL   H     .   .   .   .   .   6   VAL   QQG   .   .   c25519_2n0b   1    
     45   2   OR   .   1   1   6   6   VAL   H     H   .   .   .   1   1   6   6   VAL   MG2   H   .   .   .   .   .   .   .   4.00   .   .   .   .   .   A   .   6   VAL   H     .   .   A   .   6   VAL   MG2   .   .   .   6   VAL   H     .   .   .   .   .   6   VAL   QQG   .   .   c25519_2n0b   1    
     46   1   OR   .   1   1   7   7   GLY   H     H   .   .   .   1   1   6   6   VAL   MG1   H   .   .   .   .   .   .   .   4.46   .   .   .   .   .   A   .   7   GLY   H     .   .   A   .   6   VAL   MG1   .   .   .   7   GLY   H     .   .   .   .   .   6   VAL   QQG   .   .   c25519_2n0b   1    
     46   2   OR   .   1   1   7   7   GLY   H     H   .   .   .   1   1   6   6   VAL   MG2   H   .   .   .   .   .   .   .   4.46   .   .   .   .   .   A   .   7   GLY   H     .   .   A   .   6   VAL   MG2   .   .   .   7   GLY   H     .   .   .   .   .   6   VAL   QQG   .   .   c25519_2n0b   1    
     47   1   OR   .   1   1   6   6   VAL   MG1   H   .   .   .   1   1   7   7   GLY   HA2   H   .   .   .   .   .   .   .   4.87   .   .   .   .   .   A   .   6   VAL   MG1   .   .   A   .   7   GLY   HA2   .   .   .   6   VAL   QQG   .   .   .   .   .   7   GLY   QA    .   .   c25519_2n0b   1    
     47   2   OR   .   1   1   7   7   GLY   HA3   H   .   .   .   1   1   6   6   VAL   MG1   H   .   .   .   .   .   .   .   4.87   .   .   .   .   .   A   .   7   GLY   HA3   .   .   A   .   6   VAL   MG1   .   .   .   7   GLY   QA    .   .   .   .   .   6   VAL   QQG   .   .   c25519_2n0b   1    
     47   3   OR   .   1   1   6   6   VAL   MG2   H   .   .   .   1   1   7   7   GLY   HA3   H   .   .   .   .   .   .   .   4.87   .   .   .   .   .   A   .   6   VAL   MG2   .   .   A   .   7   GLY   HA3   .   .   .   6   VAL   QQG   .   .   .   .   .   7   GLY   QA    .   .   c25519_2n0b   1    
     47   4   OR   .   1   1   6   6   VAL   MG2   H   .   .   .   1   1   7   7   GLY   HA2   H   .   .   .   .   .   .   .   4.87   .   .   .   .   .   A   .   6   VAL   MG2   .   .   A   .   7   GLY   HA2   .   .   .   6   VAL   QQG   .   .   .   .   .   7   GLY   QA    .   .   c25519_2n0b   1    
     48   1   OR   .   1   1   8   8   HIS   H     H   .   .   .   1   1   8   8   HIS   HB3   H   .   .   .   .   .   .   .   3.60   .   .   .   .   .   A   .   8   HIS   H     .   .   A   .   8   HIS   HB3   .   .   .   8   HIS   H     .   .   .   .   .   8   HIS   QB    .   .   c25519_2n0b   1    
     48   2   OR   .   1   1   8   8   HIS   H     H   .   .   .   1   1   8   8   HIS   HB2   H   .   .   .   .   .   .   .   3.60   .   .   .   .   .   A   .   8   HIS   H     .   .   A   .   8   HIS   HB2   .   .   .   8   HIS   H     .   .   .   .   .   8   HIS   QB    .   .   c25519_2n0b   1    
     49   1   OR   .   1   1   9   9   LEU   H     H   .   .   .   1   1   8   8   HIS   HB3   H   .   .   .   .   .   .   .   4.20   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   8   HIS   HB3   .   .   .   9   LEU   H     .   .   .   .   .   8   HIS   QB    .   .   c25519_2n0b   1    
     49   2   OR   .   1   1   9   9   LEU   H     H   .   .   .   1   1   8   8   HIS   HB2   H   .   .   .   .   .   .   .   4.20   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   8   HIS   HB2   .   .   .   9   LEU   H     .   .   .   .   .   8   HIS   QB    .   .   c25519_2n0b   1    
     50   1   OR   .   1   1   9   9   LEU   H     H   .   .   .   1   1   9   9   LEU   HB2   H   .   .   .   .   .   .   .   3.60   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   9   LEU   HB2   .   .   .   9   LEU   H     .   .   .   .   .   9   LEU   QB    .   .   c25519_2n0b   1    
     50   2   OR   .   1   1   9   9   LEU   H     H   .   .   .   1   1   9   9   LEU   HB3   H   .   .   .   .   .   .   .   3.60   .   .   .   .   .   A   .   9   LEU   H     .   .   A   .   9   LEU   HB3   .   .   .   9   LEU   H     .   .   .   .   .   9   LEU   QB    .   .   c25519_2n0b   1    

   stop_

save_

save_MR_file_comment_1
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_1
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            c25519_2n0b
   _Org_constr_file_comment.ID                  1
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            1
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             '*HEADER HORMONE 05-MAR-15 2N0B *TITLE NMR STRUCTURE OF NEUROMEDIN C IN AQUEOUS SOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GASTRIN-RELEASING PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 41-50; *COMPND 5 SYNONYM: GRP, NEUROMEDIN-C, GRP-10; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS NEUROPEPTIDE, FEEDING REGULATION, HORMONE *EXPDTA SOLUTION NMR *NUMMDL 18 *AUTHOR M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ *REVDAT 1 14-OCT-15 2N0B 0'

save_