NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype
306682 1pdc 1474 cing 3-converted-DOCR STAR entry full


data_DOCR_restraints_with_modified_coordinates_PDB_code_1pdc

# This DOCR archive file contains, for PDB entry <1pdc>:
# 
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
# 
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
# 
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
# 
# This file is generated at the BioMagResBank (BMRB) in collaboration with the 
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and 
# the CMBI/IMM group at the Radboud University of Nijmegen.
# 
# Several software packages were used to produce this file:
# 
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
# 
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
# 
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
# 
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696. 
# 
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)




save_entry_information
    _Entry.Sf_category                  entry_information
    _Entry.Sf_framecode                 entry_information
    _Entry.ID                           rr_1pdc
    _Entry.Title                        "wwPDB remediated NMR restraints for PDB entry 1pdc"
    _Entry.NMR_STAR_version             3.1
    _Entry.Experimental_method          NMR
    _Entry.Experimental_method_subtype  solution
    _Entry.Details                      "Contains the remediated restraint lists and coordinates for PDB entry 1pdc"

save_


save_assembly
    _Assembly.Sf_category           assembly
    _Assembly.Sf_framecode          assembly
    _Assembly.Entry_ID              rr_1pdc
    _Assembly.ID                    1
    _Assembly.Name                  1pdc
    _Assembly.Number_of_components  1
    _Assembly.Organic_ligands       0
    _Assembly.Metal_ions            0
    _Assembly.Non_standard_bonds    no
    _Assembly.Paramagnetic          no
    _Assembly.Thiol_state           "all free"
    _Assembly.Molecular_mass        5371.2037

    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 "SEMINAL FLUID PROTEIN PDC 109" 1 $SEMINAL_FLUID_PROTEIN_PDC_109 A . no . . . . . . rr_1pdc 1 
    stop_

save_


save_SEMINAL_FLUID_PROTEIN_PDC_109
    _Entity.Sf_category                      entity
    _Entity.Sf_framecode                     SEMINAL_FLUID_PROTEIN_PDC_109
    _Entity.Entry_ID                         rr_1pdc
    _Entity.ID                               1
    _Entity.Name                             SEMINAL_FLUID_PROTEIN_PDC_109
    _Entity.Type                             polymer
    _Entity.Polymer_type                     polypeptide(L)
    _Entity.Polymer_strand_ID                A
    _Entity.Polymer_seq_one_letter_code      
;DYAKCVFPFIYGGKKYETCT
KIGSMWMSWCSLSPNYDKDR
AWKYC
;

    _Entity.Ambiguous_conformational_states  no
    _Entity.Ambiguous_chem_comp_sites        no
    _Entity.Nstd_monomer                     no
    _Entity.Nstd_chirality                   no
    _Entity.Nstd_linkage                     no
    _Entity.Number_of_monomers               45
    _Entity.Paramagnetic                     no
    _Entity.Thiol_state                      "all free"
    _Entity.Parent_entity_ID                 1
    _Entity.Formula_weight                   5371.2037

    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 . ASP . rr_1pdc 1 
        2 . TYR . rr_1pdc 1 
        3 . ALA . rr_1pdc 1 
        4 . LYS . rr_1pdc 1 
        5 . CYS . rr_1pdc 1 
        6 . VAL . rr_1pdc 1 
        7 . PHE . rr_1pdc 1 
        8 . PRO . rr_1pdc 1 
        9 . PHE . rr_1pdc 1 
       10 . ILE . rr_1pdc 1 
       11 . TYR . rr_1pdc 1 
       12 . GLY . rr_1pdc 1 
       13 . GLY . rr_1pdc 1 
       14 . LYS . rr_1pdc 1 
       15 . LYS . rr_1pdc 1 
       16 . TYR . rr_1pdc 1 
       17 . GLU . rr_1pdc 1 
       18 . THR . rr_1pdc 1 
       19 . CYS . rr_1pdc 1 
       20 . THR . rr_1pdc 1 
       21 . LYS . rr_1pdc 1 
       22 . ILE . rr_1pdc 1 
       23 . GLY . rr_1pdc 1 
       24 . SER . rr_1pdc 1 
       25 . MET . rr_1pdc 1 
       26 . TRP . rr_1pdc 1 
       27 . MET . rr_1pdc 1 
       28 . SER . rr_1pdc 1 
       29 . TRP . rr_1pdc 1 
       30 . CYS . rr_1pdc 1 
       31 . SER . rr_1pdc 1 
       32 . LEU . rr_1pdc 1 
       33 . SER . rr_1pdc 1 
       34 . PRO . rr_1pdc 1 
       35 . ASN . rr_1pdc 1 
       36 . TYR . rr_1pdc 1 
       37 . ASP . rr_1pdc 1 
       38 . LYS . rr_1pdc 1 
       39 . ASP . rr_1pdc 1 
       40 . ARG . rr_1pdc 1 
       41 . ALA . rr_1pdc 1 
       42 . TRP . rr_1pdc 1 
       43 . LYS . rr_1pdc 1 
       44 . TYR . rr_1pdc 1 
       45 . CYS . rr_1pdc 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

       . ASP  1  1 rr_1pdc 1 
       . TYR  2  2 rr_1pdc 1 
       . ALA  3  3 rr_1pdc 1 
       . LYS  4  4 rr_1pdc 1 
       . CYS  5  5 rr_1pdc 1 
       . VAL  6  6 rr_1pdc 1 
       . PHE  7  7 rr_1pdc 1 
       . PRO  8  8 rr_1pdc 1 
       . PHE  9  9 rr_1pdc 1 
       . ILE 10 10 rr_1pdc 1 
       . TYR 11 11 rr_1pdc 1 
       . GLY 12 12 rr_1pdc 1 
       . GLY 13 13 rr_1pdc 1 
       . LYS 14 14 rr_1pdc 1 
       . LYS 15 15 rr_1pdc 1 
       . TYR 16 16 rr_1pdc 1 
       . GLU 17 17 rr_1pdc 1 
       . THR 18 18 rr_1pdc 1 
       . CYS 19 19 rr_1pdc 1 
       . THR 20 20 rr_1pdc 1 
       . LYS 21 21 rr_1pdc 1 
       . ILE 22 22 rr_1pdc 1 
       . GLY 23 23 rr_1pdc 1 
       . SER 24 24 rr_1pdc 1 
       . MET 25 25 rr_1pdc 1 
       . TRP 26 26 rr_1pdc 1 
       . MET 27 27 rr_1pdc 1 
       . SER 28 28 rr_1pdc 1 
       . TRP 29 29 rr_1pdc 1 
       . CYS 30 30 rr_1pdc 1 
       . SER 31 31 rr_1pdc 1 
       . LEU 32 32 rr_1pdc 1 
       . SER 33 33 rr_1pdc 1 
       . PRO 34 34 rr_1pdc 1 
       . ASN 35 35 rr_1pdc 1 
       . TYR 36 36 rr_1pdc 1 
       . ASP 37 37 rr_1pdc 1 
       . LYS 38 38 rr_1pdc 1 
       . ASP 39 39 rr_1pdc 1 
       . ARG 40 40 rr_1pdc 1 
       . ALA 41 41 rr_1pdc 1 
       . TRP 42 42 rr_1pdc 1 
       . LYS 43 43 rr_1pdc 1 
       . TYR 44 44 rr_1pdc 1 
       . CYS 45 45 rr_1pdc 1 
    stop_

save_


save_conformer_statistics
    _Conformer_stat_list.Sf_category                    conformer_statistics
    _Conformer_stat_list.Sf_framecode                   conformer_statistics
    _Conformer_stat_list.Entry_ID                       rr_1pdc
    _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  1

save_


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      rr_1pdc
    _Conformer_family_coord_set.ID            1

    loop_
       _Conformer_family_refinement.Refine_method
       _Conformer_family_refinement.Refine_details
       _Conformer_family_refinement.Entry_ID
       _Conformer_family_refinement.Conformer_family_coord_set_ID

       1 . rr_1pdc 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

       . . . . rr_1pdc 1 
    stop_

    loop_
       _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_atom_name
       _Atom_site.PDB_ins_code
       _Atom_site.PDB_model_num
       _Atom_site.PDB_residue_name
       _Atom_site.PDB_residue_no
       _Atom_site.PDB_strand_id
       _Atom_site.Auth_asym_ID
       _Atom_site.Auth_chain_ID
       _Atom_site.Auth_entity_assembly_ID
       _Atom_site.Auth_seq_ID
       _Atom_site.Auth_comp_ID
       _Atom_site.Auth_atom_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 ASP C    C  2.116   1.266  -3.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP C    . . rr_1pdc 1 
       1 .   2 . 1 1  1 ASP CA   C  3.029   0.885  -2.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP CA   . . rr_1pdc 1 
       1 .   3 . 1 1  1 ASP CB   C  4.501   1.020  -2.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP CB   . . rr_1pdc 1 
       1 .   4 . 1 1  1 ASP CG   C  4.975   2.445  -2.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP CG   . . rr_1pdc 1 
       1 .   5 . 1 1  1 ASP H1   H  2.595  -1.094  -2.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP H1   . . rr_1pdc 1 
       1 .   6 . 1 1  1 ASP H2   H  3.581  -0.889  -1.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP H2   . . rr_1pdc 1 
       1 .   7 . 1 1  1 ASP H3   H  1.921  -0.546  -1.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP H3   . . rr_1pdc 1 
       1 .   8 . 1 1  1 ASP HA   H  2.810   1.544  -1.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP HA   . . rr_1pdc 1 
       1 .   9 . 1 1  1 ASP HB2  H  5.117   0.339  -1.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP HB2  . . rr_1pdc 1 
       1 .  10 . 1 1  1 ASP HB3  H  4.594   0.791  -3.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP HB3  . . rr_1pdc 1 
       1 .  11 . 1 1  1 ASP N    N  2.761  -0.515  -1.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP N    . . rr_1pdc 1 
       1 .  12 . 1 1  1 ASP O    O  1.650   0.408  -4.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP O    . . rr_1pdc 1 
       1 .  13 . 1 1  1 ASP OD1  O  4.436   3.313  -2.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP OD1  . . rr_1pdc 1 
       1 .  14 . 1 1  1 ASP OD2  O  5.853   2.585  -1.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP OD2  . . rr_1pdc 1 
       1 .  15 . 1 1  2 TYR C    C  1.566   4.252  -5.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR C    . . rr_1pdc 1 
       1 .  16 . 1 1  2 TYR CA   C  0.991   2.998  -4.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CA   . . rr_1pdc 1 
       1 .  17 . 1 1  2 TYR CB   C -0.402   3.330  -3.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CB   . . rr_1pdc 1 
       1 .  18 . 1 1  2 TYR CD1  C -1.587   3.116  -6.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CD1  . . rr_1pdc 1 
       1 .  19 . 1 1  2 TYR CD2  C -2.411   1.843  -4.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CD2  . . rr_1pdc 1 
       1 .  20 . 1 1  2 TYR CE1  C -2.577   2.591  -7.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CE1  . . rr_1pdc 1 
       1 .  21 . 1 1  2 TYR CE2  C -3.401   1.320  -5.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CE2  . . rr_1pdc 1 
       1 .  22 . 1 1  2 TYR CG   C -1.496   2.745  -4.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CG   . . rr_1pdc 1 
       1 .  23 . 1 1  2 TYR CZ   C -3.489   1.690  -6.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CZ   . . rr_1pdc 1 
       1 .  24 . 1 1  2 TYR H    H  2.278   3.197  -2.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR H    . . rr_1pdc 1 
       1 .  25 . 1 1  2 TYR HA   H  0.925   2.208  -5.306 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HA   . . rr_1pdc 1 
       1 .  26 . 1 1  2 TYR HB2  H -0.496   2.905  -2.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HB2  . . rr_1pdc 1 
       1 .  27 . 1 1  2 TYR HB3  H -0.528   4.402  -3.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HB3  . . rr_1pdc 1 
       1 .  28 . 1 1  2 TYR HD1  H -0.881   3.822  -6.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HD1  . . rr_1pdc 1 
       1 .  29 . 1 1  2 TYR HD2  H -2.354   1.544  -3.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HD2  . . rr_1pdc 1 
       1 .  30 . 1 1  2 TYR HE1  H -2.642   2.891  -8.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HE1  . . rr_1pdc 1 
       1 .  31 . 1 1  2 TYR HE2  H -4.113   0.619  -4.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HE2  . . rr_1pdc 1 
       1 .  32 . 1 1  2 TYR HH   H -4.575   0.238  -7.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HH   . . rr_1pdc 1 
       1 .  33 . 1 1  2 TYR N    N  1.873   2.541  -3.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR N    . . rr_1pdc 1 
       1 .  34 . 1 1  2 TYR O    O  0.961   4.831  -6.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR O    . . rr_1pdc 1 
       1 .  35 . 1 1  2 TYR OH   O -4.470   1.162  -7.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR OH   . . rr_1pdc 1 
       1 .  36 . 1 1  3 ALA C    C  4.874   5.607  -5.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA C    . . rr_1pdc 1 
       1 .  37 . 1 1  3 ALA CA   C  3.376   5.857  -5.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA CA   . . rr_1pdc 1 
       1 .  38 . 1 1  3 ALA CB   C  3.182   7.022  -4.338 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA CB   . . rr_1pdc 1 
       1 .  39 . 1 1  3 ALA H    H  3.161   4.150  -4.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA H    . . rr_1pdc 1 
       1 .  40 . 1 1  3 ALA HA   H  2.926   6.088  -6.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HA   . . rr_1pdc 1 
       1 .  41 . 1 1  3 ALA HB1  H  2.127   7.179  -4.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HB1  . . rr_1pdc 1 
       1 .  42 . 1 1  3 ALA HB2  H  3.666   6.788  -3.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HB2  . . rr_1pdc 1 
       1 .  43 . 1 1  3 ALA HB3  H  3.613   7.925  -4.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HB3  . . rr_1pdc 1 
       1 .  44 . 1 1  3 ALA N    N  2.723   4.649  -4.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA N    . . rr_1pdc 1 
       1 .  45 . 1 1  3 ALA O    O  5.640   6.525  -5.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA O    . . rr_1pdc 1 
       1 .  46 . 1 1  4 LYS C    C  6.851   2.757  -6.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS C    . . rr_1pdc 1 
       1 .  47 . 1 1  4 LYS CA   C  6.692   4.012  -5.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CA   . . rr_1pdc 1 
       1 .  48 . 1 1  4 LYS CB   C  7.266   3.731  -4.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CB   . . rr_1pdc 1 
       1 .  49 . 1 1  4 LYS CD   C  9.364   3.297  -2.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CD   . . rr_1pdc 1 
       1 .  50 . 1 1  4 LYS CE   C  8.749   4.080  -1.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CE   . . rr_1pdc 1 
       1 .  51 . 1 1  4 LYS CG   C  8.795   3.824  -4.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CG   . . rr_1pdc 1 
       1 .  52 . 1 1  4 LYS H    H  4.601   3.661  -5.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS H    . . rr_1pdc 1 
       1 .  53 . 1 1  4 LYS HA   H  7.209   4.842  -6.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HA   . . rr_1pdc 1 
       1 .  54 . 1 1  4 LYS HB2  H  6.875   4.455  -3.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HB2  . . rr_1pdc 1 
       1 .  55 . 1 1  4 LYS HB3  H  6.972   2.741  -3.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HB3  . . rr_1pdc 1 
       1 .  56 . 1 1  4 LYS HD2  H  9.126   2.248  -2.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HD2  . . rr_1pdc 1 
       1 .  57 . 1 1  4 LYS HD3  H 10.437   3.416  -2.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HD3  . . rr_1pdc 1 
       1 .  58 . 1 1  4 LYS HE2  H  8.423   5.054  -2.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HE2  . . rr_1pdc 1 
       1 .  59 . 1 1  4 LYS HE3  H  7.897   3.542  -1.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HE3  . . rr_1pdc 1 
       1 .  60 . 1 1  4 LYS HG2  H  9.175   3.229  -5.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HG2  . . rr_1pdc 1 
       1 .  61 . 1 1  4 LYS HG3  H  9.092   4.854  -4.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HG3  . . rr_1pdc 1 
       1 .  62 . 1 1  4 LYS HZ1  H 10.138   3.330  -0.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HZ1  . . rr_1pdc 1 
       1 .  63 . 1 1  4 LYS HZ2  H 10.522   4.870  -1.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HZ2  . . rr_1pdc 1 
       1 .  64 . 1 1  4 LYS HZ3  H  9.294   4.695   0.155 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HZ3  . . rr_1pdc 1 
       1 .  65 . 1 1  4 LYS N    N  5.257   4.361  -5.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS N    . . rr_1pdc 1 
       1 .  66 . 1 1  4 LYS NZ   N  9.752   4.257  -0.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS NZ   . . rr_1pdc 1 
       1 .  67 . 1 1  4 LYS O    O  7.612   2.743  -7.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS O    . . rr_1pdc 1 
       1 .  68 . 1 1  5 CYS C    C  5.062  -0.490  -6.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS C    . . rr_1pdc 1 
       1 .  69 . 1 1  5 CYS CA   C  6.186   0.449  -6.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS CA   . . rr_1pdc 1 
       1 .  70 . 1 1  5 CYS CB   C  7.535  -0.234  -6.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS CB   . . rr_1pdc 1 
       1 .  71 . 1 1  5 CYS H    H  5.511   1.814  -5.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS H    . . rr_1pdc 1 
       1 .  72 . 1 1  5 CYS HA   H  6.084   0.653  -7.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS HA   . . rr_1pdc 1 
       1 .  73 . 1 1  5 CYS HB2  H  7.691  -0.188  -5.517 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS HB2  . . rr_1pdc 1 
       1 .  74 . 1 1  5 CYS HB3  H  7.454  -1.275  -6.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS HB3  . . rr_1pdc 1 
       1 .  75 . 1 1  5 CYS N    N  6.117   1.734  -6.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS N    . . rr_1pdc 1 
       1 .  76 . 1 1  5 CYS O    O  5.039  -0.913  -5.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS O    . . rr_1pdc 1 
       1 .  77 . 1 1  5 CYS SG   S  9.030   0.420  -7.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  1 CYS SG   . . rr_1pdc 1 
       1 .  78 . 1 1  6 VAL C    C  3.348  -3.182  -7.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL C    . . rr_1pdc 1 
       1 .  79 . 1 1  6 VAL CA   C  3.030  -1.719  -6.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL CA   . . rr_1pdc 1 
       1 .  80 . 1 1  6 VAL CB   C  1.736  -1.267  -7.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL CB   . . rr_1pdc 1 
       1 .  81 . 1 1  6 VAL CG1  C  1.997  -1.098  -9.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL CG1  . . rr_1pdc 1 
       1 .  82 . 1 1  6 VAL CG2  C  0.634  -2.318  -7.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL CG2  . . rr_1pdc 1 
       1 .  83 . 1 1  6 VAL H    H  4.211  -0.445  -8.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL H    . . rr_1pdc 1 
       1 .  84 . 1 1  6 VAL HA   H  2.893  -1.650  -5.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HA   . . rr_1pdc 1 
       1 .  85 . 1 1  6 VAL HB   H  1.407  -0.323  -7.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HB   . . rr_1pdc 1 
       1 .  86 . 1 1  6 VAL HG11 H  3.059  -1.074  -9.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HG11 . . rr_1pdc 1 
       1 .  87 . 1 1  6 VAL HG12 H  1.554  -1.918  -9.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HG12 . . rr_1pdc 1 
       1 .  88 . 1 1  6 VAL HG13 H  1.558  -0.173  -9.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HG13 . . rr_1pdc 1 
       1 .  89 . 1 1  6 VAL HG21 H  0.615  -2.628  -6.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HG21 . . rr_1pdc 1 
       1 .  90 . 1 1  6 VAL HG22 H -0.326  -1.896  -7.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HG22 . . rr_1pdc 1 
       1 .  91 . 1 1  6 VAL HG23 H  0.824  -3.179  -8.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL HG23 . . rr_1pdc 1 
       1 .  92 . 1 1  6 VAL N    N  4.154  -0.803  -7.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL N    . . rr_1pdc 1 
       1 .  93 . 1 1  6 VAL O    O  3.721  -3.949  -6.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  2 VAL O    . . rr_1pdc 1 
       1 .  94 . 1 1  7 PHE C    C  2.396  -5.912  -8.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE C    . . rr_1pdc 1 
       1 .  95 . 1 1  7 PHE CA   C  3.463  -4.924  -8.994 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CA   . . rr_1pdc 1 
       1 .  96 . 1 1  7 PHE CB   C  4.832  -5.384  -8.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CB   . . rr_1pdc 1 
       1 .  97 . 1 1  7 PHE CD1  C  5.690  -3.449  -9.806 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CD1  . . rr_1pdc 1 
       1 .  98 . 1 1  7 PHE CD2  C  6.999  -4.193  -7.964 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CD2  . . rr_1pdc 1 
       1 .  99 . 1 1  7 PHE CE1  C  6.625  -2.480 -10.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CE1  . . rr_1pdc 1 
       1 . 100 . 1 1  7 PHE CE2  C  7.940  -3.224  -8.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CE2  . . rr_1pdc 1 
       1 . 101 . 1 1  7 PHE CG   C  5.869  -4.311  -8.746 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CG   . . rr_1pdc 1 
       1 . 102 . 1 1  7 PHE CZ   C  7.752  -2.367  -9.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE CZ   . . rr_1pdc 1 
       1 . 103 . 1 1  7 PHE H    H  2.887  -2.862  -9.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE H    . . rr_1pdc 1 
       1 . 104 . 1 1  7 PHE HA   H  3.474  -4.918 -10.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HA   . . rr_1pdc 1 
       1 . 105 . 1 1  7 PHE HB2  H  4.775  -5.549  -7.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HB2  . . rr_1pdc 1 
       1 . 106 . 1 1  7 PHE HB3  H  5.127  -6.302  -8.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HB3  . . rr_1pdc 1 
       1 . 107 . 1 1  7 PHE HD1  H  4.811  -3.550 -10.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HD1  . . rr_1pdc 1 
       1 . 108 . 1 1  7 PHE HD2  H  7.144  -4.864  -7.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HD2  . . rr_1pdc 1 
       1 . 109 . 1 1  7 PHE HE1  H  6.471  -1.810 -10.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HE1  . . rr_1pdc 1 
       1 . 110 . 1 1  7 PHE HE2  H  8.826  -3.140  -7.628 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HE2  . . rr_1pdc 1 
       1 . 111 . 1 1  7 PHE HZ   H  8.490  -1.615  -9.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE HZ   . . rr_1pdc 1 
       1 . 112 . 1 1  7 PHE N    N  3.186  -3.525  -8.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE N    . . rr_1pdc 1 
       1 . 113 . 1 1  7 PHE O    O  1.900  -5.839  -7.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  3 PHE O    . . rr_1pdc 1 
       1 . 114 . 1 1  8 PRO C    C  2.080  -5.747 -11.654 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO C    . . rr_1pdc 1 
       1 . 115 . 1 1  8 PRO CA   C  2.632  -6.876 -10.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO CA   . . rr_1pdc 1 
       1 . 116 . 1 1  8 PRO CB   C  2.192  -8.239 -11.322 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO CB   . . rr_1pdc 1 
       1 . 117 . 1 1  8 PRO CD   C  1.135  -7.904  -9.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO CD   . . rr_1pdc 1 
       1 . 118 . 1 1  8 PRO CG   C  1.214  -8.870 -10.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO CG   . . rr_1pdc 1 
       1 . 119 . 1 1  8 PRO HA   H  3.714  -6.809 -10.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HA   . . rr_1pdc 1 
       1 . 120 . 1 1  8 PRO HB2  H  1.695  -8.114 -12.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HB2  . . rr_1pdc 1 
       1 . 121 . 1 1  8 PRO HB3  H  3.058  -8.870 -11.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HB3  . . rr_1pdc 1 
       1 . 122 . 1 1  8 PRO HD2  H  0.137  -7.512  -8.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HD2  . . rr_1pdc 1 
       1 . 123 . 1 1  8 PRO HD3  H  1.450  -8.393  -8.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HD3  . . rr_1pdc 1 
       1 . 124 . 1 1  8 PRO HG2  H  0.235  -8.996 -10.721 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HG2  . . rr_1pdc 1 
       1 . 125 . 1 1  8 PRO HG3  H  1.590  -9.831  -9.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO HG3  . . rr_1pdc 1 
       1 . 126 . 1 1  8 PRO N    N  2.058  -6.826  -9.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO N    . . rr_1pdc 1 
       1 . 127 . 1 1  8 PRO O    O  0.942  -5.329 -11.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  4 PRO O    . . rr_1pdc 1 
       1 . 128 . 1 1  9 PHE C    C  2.473  -4.611 -14.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE C    . . rr_1pdc 1 
       1 . 129 . 1 1  9 PHE CA   C  2.427  -4.188 -13.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CA   . . rr_1pdc 1 
       1 . 130 . 1 1  9 PHE CB   C  3.320  -2.961 -13.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CB   . . rr_1pdc 1 
       1 . 131 . 1 1  9 PHE CD1  C  5.723  -3.758 -13.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CD1  . . rr_1pdc 1 
       1 . 132 . 1 1  9 PHE CD2  C  4.969  -2.583 -15.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CD2  . . rr_1pdc 1 
       1 . 133 . 1 1  9 PHE CE1  C  6.993  -3.814 -13.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CE1  . . rr_1pdc 1 
       1 . 134 . 1 1  9 PHE CE2  C  6.237  -2.642 -15.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CE2  . . rr_1pdc 1 
       1 . 135 . 1 1  9 PHE CG   C  4.699  -3.135 -13.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CG   . . rr_1pdc 1 
       1 . 136 . 1 1  9 PHE CZ   C  7.249  -3.255 -14.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE CZ   . . rr_1pdc 1 
       1 . 137 . 1 1  9 PHE H    H  3.789  -5.658 -12.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE H    . . rr_1pdc 1 
       1 . 138 . 1 1  9 PHE HA   H  1.392  -3.959 -13.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HA   . . rr_1pdc 1 
       1 . 139 . 1 1  9 PHE HB2  H  2.854  -2.080 -13.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HB2  . . rr_1pdc 1 
       1 . 140 . 1 1  9 PHE HB3  H  3.443  -2.827 -12.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HB3  . . rr_1pdc 1 
       1 . 141 . 1 1  9 PHE HD1  H  5.524  -4.213 -12.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HD1  . . rr_1pdc 1 
       1 . 142 . 1 1  9 PHE HD2  H  4.180  -2.095 -15.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HD2  . . rr_1pdc 1 
       1 . 143 . 1 1  9 PHE HE1  H  7.790  -4.296 -13.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HE1  . . rr_1pdc 1 
       1 . 144 . 1 1  9 PHE HE2  H  6.437  -2.201 -16.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HE2  . . rr_1pdc 1 
       1 . 145 . 1 1  9 PHE HZ   H  8.245  -3.295 -15.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE HZ   . . rr_1pdc 1 
       1 . 146 . 1 1  9 PHE N    N  2.890  -5.280 -12.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE N    . . rr_1pdc 1 
       1 . 147 . 1 1  9 PHE O    O  2.968  -5.673 -15.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  5 PHE O    . . rr_1pdc 1 
       1 . 148 . 1 1 10 ILE C    C  2.743  -3.121 -18.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE C    . . rr_1pdc 1 
       1 . 149 . 1 1 10 ILE CA   C  1.957  -4.119 -17.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE CA   . . rr_1pdc 1 
       1 . 150 . 1 1 10 ILE CB   C  0.495  -4.106 -17.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE CB   . . rr_1pdc 1 
       1 . 151 . 1 1 10 ILE CD1  C -1.717  -5.237 -17.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE CD1  . . rr_1pdc 1 
       1 . 152 . 1 1 10 ILE CG1  C -0.398  -4.803 -16.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE CG1  . . rr_1pdc 1 
       1 . 153 . 1 1 10 ILE CG2  C  0.411  -4.857 -19.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE CG2  . . rr_1pdc 1 
       1 . 154 . 1 1 10 ILE H    H  1.566  -2.920 -15.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE H    . . rr_1pdc 1 
       1 . 155 . 1 1 10 ILE HA   H  2.390  -5.106 -17.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HA   . . rr_1pdc 1 
       1 . 156 . 1 1 10 ILE HB   H  0.167  -3.071 -17.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HB   . . rr_1pdc 1 
       1 . 157 . 1 1 10 ILE HD11 H -2.038  -4.491 -18.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HD11 . . rr_1pdc 1 
       1 . 158 . 1 1 10 ILE HD12 H -1.580  -6.180 -17.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HD12 . . rr_1pdc 1 
       1 . 159 . 1 1 10 ILE HD13 H -2.477  -5.353 -16.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HD13 . . rr_1pdc 1 
       1 . 160 . 1 1 10 ILE HG12 H  0.113  -5.668 -16.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HG12 . . rr_1pdc 1 
       1 . 161 . 1 1 10 ILE HG13 H -0.608  -4.117 -15.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HG13 . . rr_1pdc 1 
       1 . 162 . 1 1 10 ILE HG21 H  1.298  -4.662 -19.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HG21 . . rr_1pdc 1 
       1 . 163 . 1 1 10 ILE HG22 H  0.331  -5.918 -18.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HG22 . . rr_1pdc 1 
       1 . 164 . 1 1 10 ILE HG23 H -0.456  -4.523 -19.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE HG23 . . rr_1pdc 1 
       1 . 165 . 1 1 10 ILE N    N  1.954  -3.769 -15.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE N    . . rr_1pdc 1 
       1 . 166 . 1 1 10 ILE O    O  2.163  -2.224 -18.698 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  6 ILE O    . . rr_1pdc 1 
       1 . 167 . 1 1 11 TYR C    C  4.426  -2.380 -20.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR C    . . rr_1pdc 1 
       1 . 168 . 1 1 11 TYR CA   C  4.882  -2.404 -19.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CA   . . rr_1pdc 1 
       1 . 169 . 1 1 11 TYR CB   C  6.334  -2.913 -19.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CB   . . rr_1pdc 1 
       1 . 170 . 1 1 11 TYR CD1  C  7.114  -0.481 -19.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CD1  . . rr_1pdc 1 
       1 . 171 . 1 1 11 TYR CD2  C  8.484  -2.182 -20.155 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CD2  . . rr_1pdc 1 
       1 . 172 . 1 1 11 TYR CE1  C  8.053   0.464 -19.590 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CE1  . . rr_1pdc 1 
       1 . 173 . 1 1 11 TYR CE2  C  9.417  -1.231 -20.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CE2  . . rr_1pdc 1 
       1 . 174 . 1 1 11 TYR CG   C  7.323  -1.822 -19.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CG   . . rr_1pdc 1 
       1 . 175 . 1 1 11 TYR CZ   C  9.209   0.094 -20.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR CZ   . . rr_1pdc 1 
       1 . 176 . 1 1 11 TYR H    H  4.453  -4.117 -17.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR H    . . rr_1pdc 1 
       1 . 177 . 1 1 11 TYR HA   H  4.809  -1.407 -18.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HA   . . rr_1pdc 1 
       1 . 178 . 1 1 11 TYR HB2  H  6.584  -3.211 -18.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HB2  . . rr_1pdc 1 
       1 . 179 . 1 1 11 TYR HB3  H  6.432  -3.767 -19.687 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HB3  . . rr_1pdc 1 
       1 . 180 . 1 1 11 TYR HD1  H  6.229  -0.172 -18.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HD1  . . rr_1pdc 1 
       1 . 181 . 1 1 11 TYR HD2  H  8.662  -3.215 -20.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HD2  . . rr_1pdc 1 
       1 . 182 . 1 1 11 TYR HE1  H  7.884   1.496 -19.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HE1  . . rr_1pdc 1 
       1 . 183 . 1 1 11 TYR HE2  H 10.325  -1.533 -21.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HE2  . . rr_1pdc 1 
       1 . 184 . 1 1 11 TYR HH   H 10.296   1.614 -19.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR HH   . . rr_1pdc 1 
       1 . 185 . 1 1 11 TYR N    N  4.041  -3.338 -18.257 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR N    . . rr_1pdc 1 
       1 . 186 . 1 1 11 TYR O    O  4.656  -3.318 -21.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR O    . . rr_1pdc 1 
       1 . 187 . 1 1 11 TYR OH   O 10.153   1.040 -20.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  7 TYR OH   . . rr_1pdc 1 
       1 . 188 . 1 1 12 GLY C    C  2.635  -2.510 -22.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY C    . . rr_1pdc 1 
       1 . 189 . 1 1 12 GLY CA   C  3.304  -1.208 -22.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY CA   . . rr_1pdc 1 
       1 . 190 . 1 1 12 GLY H    H  3.610  -0.579 -20.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY H    . . rr_1pdc 1 
       1 . 191 . 1 1 12 GLY HA2  H  2.595  -0.402 -22.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY HA2  . . rr_1pdc 1 
       1 . 192 . 1 1 12 GLY HA3  H  4.144  -1.012 -23.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY HA3  . . rr_1pdc 1 
       1 . 193 . 1 1 12 GLY N    N  3.782  -1.306 -20.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY N    . . rr_1pdc 1 
       1 . 194 . 1 1 12 GLY O    O  2.649  -2.860 -23.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  8 GLY O    . . rr_1pdc 1 
       1 . 195 . 1 1 13 GLY C    C  2.393  -5.660 -22.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY C    . . rr_1pdc 1 
       1 . 196 . 1 1 13 GLY CA   C  1.380  -4.503 -22.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY CA   . . rr_1pdc 1 
       1 . 197 . 1 1 13 GLY H    H  2.062  -2.871 -20.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY H    . . rr_1pdc 1 
       1 . 198 . 1 1 13 GLY HA2  H  0.613  -4.723 -21.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY HA2  . . rr_1pdc 1 
       1 . 199 . 1 1 13 GLY HA3  H  0.928  -4.404 -23.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY HA3  . . rr_1pdc 1 
       1 . 200 . 1 1 13 GLY N    N  2.058  -3.206 -21.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY N    . . rr_1pdc 1 
       1 . 201 . 1 1 13 GLY O    O  2.212  -6.619 -22.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . .  9 GLY O    . . rr_1pdc 1 
       1 . 202 . 1 1 14 LYS C    C  4.431  -7.428 -20.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS C    . . rr_1pdc 1 
       1 . 203 . 1 1 14 LYS CA   C  4.473  -6.626 -21.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CA   . . rr_1pdc 1 
       1 . 204 . 1 1 14 LYS CB   C  5.846  -5.942 -21.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CB   . . rr_1pdc 1 
       1 . 205 . 1 1 14 LYS CD   C  8.161  -6.490 -22.315 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CD   . . rr_1pdc 1 
       1 . 206 . 1 1 14 LYS CE   C  9.296  -7.521 -22.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CE   . . rr_1pdc 1 
       1 . 207 . 1 1 14 LYS CG   C  6.962  -6.989 -21.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CG   . . rr_1pdc 1 
       1 . 208 . 1 1 14 LYS H    H  3.544  -4.747 -20.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS H    . . rr_1pdc 1 
       1 . 209 . 1 1 14 LYS HA   H  4.303  -7.303 -22.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HA   . . rr_1pdc 1 
       1 . 210 . 1 1 14 LYS HB2  H  5.899  -5.410 -22.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HB2  . . rr_1pdc 1 
       1 . 211 . 1 1 14 LYS HB3  H  5.967  -5.241 -20.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HB3  . . rr_1pdc 1 
       1 . 212 . 1 1 14 LYS HD2  H  7.857  -6.343 -23.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HD2  . . rr_1pdc 1 
       1 . 213 . 1 1 14 LYS HD3  H  8.508  -5.548 -21.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HD3  . . rr_1pdc 1 
       1 . 214 . 1 1 14 LYS HE2  H 10.191  -7.052 -21.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HE2  . . rr_1pdc 1 
       1 . 215 . 1 1 14 LYS HE3  H  9.015  -8.335 -21.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HE3  . . rr_1pdc 1 
       1 . 216 . 1 1 14 LYS HG2  H  7.261  -7.135 -20.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HG2  . . rr_1pdc 1 
       1 . 217 . 1 1 14 LYS HG3  H  6.606  -7.928 -21.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HG3  . . rr_1pdc 1 
       1 . 218 . 1 1 14 LYS HZ1  H  9.736  -7.270 -24.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HZ1  . . rr_1pdc 1 
       1 . 219 . 1 1 14 LYS HZ2  H 10.413  -8.672 -23.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HZ2  . . rr_1pdc 1 
       1 . 220 . 1 1 14 LYS HZ3  H  8.750  -8.612 -23.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HZ3  . . rr_1pdc 1 
       1 . 221 . 1 1 14 LYS N    N  3.435  -5.546 -21.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS N    . . rr_1pdc 1 
       1 . 222 . 1 1 14 LYS NZ   N  9.571  -8.060 -23.623 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS NZ   . . rr_1pdc 1 
       1 . 223 . 1 1 14 LYS O    O  4.861  -8.562 -20.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS O    . . rr_1pdc 1 
       1 . 224 . 1 1 15 LYS C    C  5.199  -7.649 -17.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS C    . . rr_1pdc 1 
       1 . 225 . 1 1 15 LYS CA   C  3.823  -7.492 -17.746 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CA   . . rr_1pdc 1 
       1 . 226 . 1 1 15 LYS CB   C  3.194  -8.892 -17.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CB   . . rr_1pdc 1 
       1 . 227 . 1 1 15 LYS CD   C  1.125 -10.125 -18.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CD   . . rr_1pdc 1 
       1 . 228 . 1 1 15 LYS CE   C -0.194 -10.037 -19.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CE   . . rr_1pdc 1 
       1 . 229 . 1 1 15 LYS CG   C  1.821  -8.759 -18.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CG   . . rr_1pdc 1 
       1 . 230 . 1 1 15 LYS H    H  3.601  -5.888 -19.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS H    . . rr_1pdc 1 
       1 . 231 . 1 1 15 LYS HA   H  3.204  -6.883 -17.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HA   . . rr_1pdc 1 
       1 . 232 . 1 1 15 LYS HB2  H  3.835  -9.507 -18.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HB2  . . rr_1pdc 1 
       1 . 233 . 1 1 15 LYS HB3  H  3.081  -9.357 -16.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HB3  . . rr_1pdc 1 
       1 . 234 . 1 1 15 LYS HD2  H  1.765 -10.865 -19.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HD2  . . rr_1pdc 1 
       1 . 235 . 1 1 15 LYS HD3  H  0.926 -10.417 -17.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HD3  . . rr_1pdc 1 
       1 . 236 . 1 1 15 LYS HE2  H -0.877 -10.798 -18.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HE2  . . rr_1pdc 1 
       1 . 237 . 1 1 15 LYS HE3  H -0.640  -9.063 -19.188 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HE3  . . rr_1pdc 1 
       1 . 238 . 1 1 15 LYS HG2  H  1.224  -8.038 -18.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HG2  . . rr_1pdc 1 
       1 . 239 . 1 1 15 LYS HG3  H  1.944  -8.424 -19.607 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HG3  . . rr_1pdc 1 
       1 . 240 . 1 1 15 LYS HZ1  H  1.071 -10.274 -20.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HZ1  . . rr_1pdc 1 
       1 . 241 . 1 1 15 LYS HZ2  H -0.384 -11.140 -21.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HZ2  . . rr_1pdc 1 
       1 . 242 . 1 1 15 LYS HZ3  H -0.374  -9.459 -21.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HZ3  . . rr_1pdc 1 
       1 . 243 . 1 1 15 LYS N    N  3.918  -6.807 -19.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS N    . . rr_1pdc 1 
       1 . 244 . 1 1 15 LYS NZ   N  0.047 -10.244 -20.802 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS NZ   . . rr_1pdc 1 
       1 . 245 . 1 1 15 LYS O    O  6.130  -8.165 -17.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS O    . . rr_1pdc 1 
       1 . 246 . 1 1 16 TYR C    C  6.290  -7.153 -13.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR C    . . rr_1pdc 1 
       1 . 247 . 1 1 16 TYR CA   C  6.572  -7.283 -15.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CA   . . rr_1pdc 1 
       1 . 248 . 1 1 16 TYR CB   C  7.480  -6.097 -15.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CB   . . rr_1pdc 1 
       1 . 249 . 1 1 16 TYR CD1  C  9.213  -7.626 -16.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CD1  . . rr_1pdc 1 
       1 . 250 . 1 1 16 TYR CD2  C  8.543  -5.692 -17.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CD2  . . rr_1pdc 1 
       1 . 251 . 1 1 16 TYR CE1  C 10.076  -7.961 -17.610 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CE1  . . rr_1pdc 1 
       1 . 252 . 1 1 16 TYR CE2  C  9.405  -6.028 -18.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CE2  . . rr_1pdc 1 
       1 . 253 . 1 1 16 TYR CG   C  8.437  -6.490 -16.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CG   . . rr_1pdc 1 
       1 . 254 . 1 1 16 TYR CZ   C 10.177  -7.162 -18.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CZ   . . rr_1pdc 1 
       1 . 255 . 1 1 16 TYR H    H  4.500  -6.783 -15.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR H    . . rr_1pdc 1 
       1 . 256 . 1 1 16 TYR HA   H  7.048  -8.242 -15.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HA   . . rr_1pdc 1 
       1 . 257 . 1 1 16 TYR HB2  H  6.862  -5.279 -15.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HB2  . . rr_1pdc 1 
       1 . 258 . 1 1 16 TYR HB3  H  8.065  -5.775 -14.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HB3  . . rr_1pdc 1 
       1 . 259 . 1 1 16 TYR HD1  H  9.164  -8.246 -15.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HD1  . . rr_1pdc 1 
       1 . 260 . 1 1 16 TYR HD2  H  7.968  -4.781 -17.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HD2  . . rr_1pdc 1 
       1 . 261 . 1 1 16 TYR HE1  H 10.677  -8.854 -17.535 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HE1  . . rr_1pdc 1 
       1 . 262 . 1 1 16 TYR HE2  H  9.471  -5.397 -19.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HE2  . . rr_1pdc 1 
       1 . 263 . 1 1 16 TYR HH   H 11.934  -7.268 -19.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HH   . . rr_1pdc 1 
       1 . 264 . 1 1 16 TYR N    N  5.286  -7.191 -15.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR N    . . rr_1pdc 1 
       1 . 265 . 1 1 16 TYR O    O  5.206  -6.756 -13.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR O    . . rr_1pdc 1 
       1 . 266 . 1 1 16 TYR OH   O 11.041  -7.491 -19.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR OH   . . rr_1pdc 1 
       1 . 267 . 1 1 17 GLU C    C  8.045  -6.389 -10.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU C    . . rr_1pdc 1 
       1 . 268 . 1 1 17 GLU CA   C  7.043  -7.376 -11.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CA   . . rr_1pdc 1 
       1 . 269 . 1 1 17 GLU CB   C  7.254  -8.769 -10.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CB   . . rr_1pdc 1 
       1 . 270 . 1 1 17 GLU CD   C  5.209  -9.703  -9.574 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CD   . . rr_1pdc 1 
       1 . 271 . 1 1 17 GLU CG   C  5.980  -9.609 -10.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CG   . . rr_1pdc 1 
       1 . 272 . 1 1 17 GLU H    H  8.112  -7.802 -13.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU H    . . rr_1pdc 1 
       1 . 273 . 1 1 17 GLU HA   H  6.031  -7.002 -11.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HA   . . rr_1pdc 1 
       1 . 274 . 1 1 17 GLU HB2  H  8.091  -9.261 -11.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HB2  . . rr_1pdc 1 
       1 . 275 . 1 1 17 GLU HB3  H  7.456  -8.663  -9.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HB3  . . rr_1pdc 1 
       1 . 276 . 1 1 17 GLU HG2  H  5.349  -9.147 -11.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HG2  . . rr_1pdc 1 
       1 . 277 . 1 1 17 GLU HG3  H  6.245 -10.603 -11.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HG3  . . rr_1pdc 1 
       1 . 278 . 1 1 17 GLU N    N  7.255  -7.483 -12.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU N    . . rr_1pdc 1 
       1 . 279 . 1 1 17 GLU O    O  7.745  -5.229 -10.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU O    . . rr_1pdc 1 
       1 . 280 . 1 1 17 GLU OE1  O  4.696  -8.673  -9.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU OE1  . . rr_1pdc 1 
       1 . 281 . 1 1 17 GLU OE2  O  5.174 -10.802  -9.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU OE2  . . rr_1pdc 1 
       1 . 282 . 1 1 18 THR C    C 10.747  -5.001 -10.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR C    . . rr_1pdc 1 
       1 . 283 . 1 1 18 THR CA   C 10.256  -5.948  -9.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CA   . . rr_1pdc 1 
       1 . 284 . 1 1 18 THR CB   C 11.440  -6.789  -9.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CB   . . rr_1pdc 1 
       1 . 285 . 1 1 18 THR CG2  C 11.022  -7.652  -8.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CG2  . . rr_1pdc 1 
       1 . 286 . 1 1 18 THR H    H  9.441  -7.797 -10.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR H    . . rr_1pdc 1 
       1 . 287 . 1 1 18 THR HA   H  9.812  -5.364  -9.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HA   . . rr_1pdc 1 
       1 . 288 . 1 1 18 THR HB   H 12.314  -6.177  -9.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HB   . . rr_1pdc 1 
       1 . 289 . 1 1 18 THR HG1  H 12.075  -7.245 -11.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG1  . . rr_1pdc 1 
       1 . 290 . 1 1 18 THR HG21 H 10.164  -8.252  -8.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG21 . . rr_1pdc 1 
       1 . 291 . 1 1 18 THR HG22 H 11.836  -8.303  -7.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG22 . . rr_1pdc 1 
       1 . 292 . 1 1 18 THR HG23 H 10.768  -7.020  -7.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG23 . . rr_1pdc 1 
       1 . 293 . 1 1 18 THR N    N  9.227  -6.860 -10.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR N    . . rr_1pdc 1 
       1 . 294 . 1 1 18 THR O    O 10.174  -4.951 -12.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR O    . . rr_1pdc 1 
       1 . 295 . 1 1 18 THR OG1  O 11.715  -7.724 -10.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR OG1  . . rr_1pdc 1 
       1 . 296 . 1 1 19 CYS C    C 12.698  -4.091 -13.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS C    . . rr_1pdc 1 
       1 . 297 . 1 1 19 CYS CA   C 12.296  -3.316 -11.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS CA   . . rr_1pdc 1 
       1 . 298 . 1 1 19 CYS CB   C 13.531  -2.565 -11.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS CB   . . rr_1pdc 1 
       1 . 299 . 1 1 19 CYS H    H 12.220  -4.311  -9.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS H    . . rr_1pdc 1 
       1 . 300 . 1 1 19 CYS HA   H 11.501  -2.622 -12.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS HA   . . rr_1pdc 1 
       1 . 301 . 1 1 19 CYS HB2  H 14.342  -3.273 -11.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS HB2  . . rr_1pdc 1 
       1 . 302 . 1 1 19 CYS HB3  H 13.824  -1.830 -11.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS HB3  . . rr_1pdc 1 
       1 . 303 . 1 1 19 CYS N    N 11.787  -4.256 -10.716 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS N    . . rr_1pdc 1 
       1 . 304 . 1 1 19 CYS O    O 12.636  -5.306 -13.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS O    . . rr_1pdc 1 
       1 . 305 . 1 1 19 CYS SG   S 13.366  -1.709  -9.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS SG   . . rr_1pdc 1 
       1 . 306 . 1 1 20 THR C    C 14.340  -3.213 -16.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR C    . . rr_1pdc 1 
       1 . 307 . 1 1 20 THR CA   C 13.521  -4.106 -15.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CA   . . rr_1pdc 1 
       1 . 308 . 1 1 20 THR CB   C 12.248  -4.575 -16.076 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CB   . . rr_1pdc 1 
       1 . 309 . 1 1 20 THR CG2  C 11.356  -3.392 -16.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CG2  . . rr_1pdc 1 
       1 . 310 . 1 1 20 THR H    H 13.181  -2.395 -13.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR H    . . rr_1pdc 1 
       1 . 311 . 1 1 20 THR HA   H 14.133  -4.965 -15.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HA   . . rr_1pdc 1 
       1 . 312 . 1 1 20 THR HB   H 11.705  -5.350 -15.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HB   . . rr_1pdc 1 
       1 . 313 . 1 1 20 THR HG1  H 11.994  -5.012 -17.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG1  . . rr_1pdc 1 
       1 . 314 . 1 1 20 THR HG21 H 11.247  -2.717 -15.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG21 . . rr_1pdc 1 
       1 . 315 . 1 1 20 THR HG22 H 11.805  -2.864 -17.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG22 . . rr_1pdc 1 
       1 . 316 . 1 1 20 THR HG23 H 10.383  -3.753 -16.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG23 . . rr_1pdc 1 
       1 . 317 . 1 1 20 THR N    N 13.114  -3.383 -14.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR N    . . rr_1pdc 1 
       1 . 318 . 1 1 20 THR O    O 13.932  -2.124 -16.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR O    . . rr_1pdc 1 
       1 . 319 . 1 1 20 THR OG1  O 12.716  -5.079 -17.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR OG1  . . rr_1pdc 1 
       1 . 320 . 1 1 21 LYS C    C 15.730  -2.767 -18.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS C    . . rr_1pdc 1 
       1 . 321 . 1 1 21 LYS CA   C 16.359  -2.887 -17.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CA   . . rr_1pdc 1 
       1 . 322 . 1 1 21 LYS CB   C 17.716  -3.601 -17.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CB   . . rr_1pdc 1 
       1 . 323 . 1 1 21 LYS CD   C 20.186  -3.215 -17.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CD   . . rr_1pdc 1 
       1 . 324 . 1 1 21 LYS CE   C 20.413  -4.267 -18.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CE   . . rr_1pdc 1 
       1 . 325 . 1 1 21 LYS CG   C 18.805  -2.566 -18.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CG   . . rr_1pdc 1 
       1 . 326 . 1 1 21 LYS H    H 15.830  -4.538 -16.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS H    . . rr_1pdc 1 
       1 . 327 . 1 1 21 LYS HA   H 16.483  -1.892 -17.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HA   . . rr_1pdc 1 
       1 . 328 . 1 1 21 LYS HB2  H 17.945  -4.108 -16.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HB2  . . rr_1pdc 1 
       1 . 329 . 1 1 21 LYS HB3  H 17.670  -4.326 -18.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HB3  . . rr_1pdc 1 
       1 . 330 . 1 1 21 LYS HD2  H 20.953  -2.458 -17.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HD2  . . rr_1pdc 1 
       1 . 331 . 1 1 21 LYS HD3  H 20.237  -3.685 -16.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HD3  . . rr_1pdc 1 
       1 . 332 . 1 1 21 LYS HE2  H 19.810  -4.027 -19.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HE2  . . rr_1pdc 1 
       1 . 333 . 1 1 21 LYS HE3  H 21.457  -4.270 -19.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HE3  . . rr_1pdc 1 
       1 . 334 . 1 1 21 LYS HG2  H 18.704  -2.212 -19.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HG2  . . rr_1pdc 1 
       1 . 335 . 1 1 21 LYS HG3  H 18.701  -1.728 -17.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HG3  . . rr_1pdc 1 
       1 . 336 . 1 1 21 LYS HZ1  H 19.345  -5.529 -17.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HZ1  . . rr_1pdc 1 
       1 . 337 . 1 1 21 LYS HZ2  H 19.614  -6.184 -19.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HZ2  . . rr_1pdc 1 
       1 . 338 . 1 1 21 LYS HZ3  H 20.887  -6.116 -18.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HZ3  . . rr_1pdc 1 
       1 . 339 . 1 1 21 LYS N    N 15.507  -3.683 -16.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS N    . . rr_1pdc 1 
       1 . 340 . 1 1 21 LYS NZ   N 20.036  -5.627 -18.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS NZ   . . rr_1pdc 1 
       1 . 341 . 1 1 21 LYS O    O 15.880  -1.765 -19.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS O    . . rr_1pdc 1 
       1 . 342 . 1 1 22 ILE C    C 15.284  -3.071 -21.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE C    . . rr_1pdc 1 
       1 . 343 . 1 1 22 ILE CA   C 14.396  -3.765 -20.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CA   . . rr_1pdc 1 
       1 . 344 . 1 1 22 ILE CB   C 13.052  -3.035 -20.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CB   . . rr_1pdc 1 
       1 . 345 . 1 1 22 ILE CD1  C 10.946  -3.954 -21.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CD1  . . rr_1pdc 1 
       1 . 346 . 1 1 22 ILE CG1  C 12.243  -3.200 -21.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CG1  . . rr_1pdc 1 
       1 . 347 . 1 1 22 ILE CG2  C 13.295  -1.522 -20.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CG2  . . rr_1pdc 1 
       1 . 348 . 1 1 22 ILE H    H 14.936  -4.573 -18.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE H    . . rr_1pdc 1 
       1 . 349 . 1 1 22 ILE HA   H 14.235  -4.791 -21.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HA   . . rr_1pdc 1 
       1 . 350 . 1 1 22 ILE HB   H 12.505  -3.485 -19.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HB   . . rr_1pdc 1 
       1 . 351 . 1 1 22 ILE HD11 H 10.643  -3.752 -20.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HD11 . . rr_1pdc 1 
       1 . 352 . 1 1 22 ILE HD12 H 10.165  -3.633 -22.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HD12 . . rr_1pdc 1 
       1 . 353 . 1 1 22 ILE HD13 H 11.104  -5.016 -21.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HD13 . . rr_1pdc 1 
       1 . 354 . 1 1 22 ILE HG12 H 12.012  -2.230 -22.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG12 . . rr_1pdc 1 
       1 . 355 . 1 1 22 ILE HG13 H 12.821  -3.761 -22.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG13 . . rr_1pdc 1 
       1 . 356 . 1 1 22 ILE HG21 H 14.060  -1.151 -20.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG21 . . rr_1pdc 1 
       1 . 357 . 1 1 22 ILE HG22 H 12.381  -0.972 -20.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG22 . . rr_1pdc 1 
       1 . 358 . 1 1 22 ILE HG23 H 13.608  -1.372 -19.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG23 . . rr_1pdc 1 
       1 . 359 . 1 1 22 ILE N    N 15.043  -3.797 -19.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE N    . . rr_1pdc 1 
       1 . 360 . 1 1 22 ILE O    O 14.815  -2.335 -22.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE O    . . rr_1pdc 1 
       1 . 361 . 1 1 23 GLY C    C 17.938  -1.329 -22.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY C    . . rr_1pdc 1 
       1 . 362 . 1 1 23 GLY CA   C 17.512  -2.734 -22.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY CA   . . rr_1pdc 1 
       1 . 363 . 1 1 23 GLY H    H 16.876  -3.980 -21.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY H    . . rr_1pdc 1 
       1 . 364 . 1 1 23 GLY HA2  H 18.388  -3.359 -22.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY HA2  . . rr_1pdc 1 
       1 . 365 . 1 1 23 GLY HA3  H 17.039  -2.665 -23.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY HA3  . . rr_1pdc 1 
       1 . 366 . 1 1 23 GLY N    N 16.556  -3.353 -21.689 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY N    . . rr_1pdc 1 
       1 . 367 . 1 1 23 GLY O    O 18.325  -0.512 -23.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY O    . . rr_1pdc 1 
       1 . 368 . 1 1 24 SER C    C 19.773   0.362 -20.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER C    . . rr_1pdc 1 
       1 . 369 . 1 1 24 SER CA   C 18.245   0.259 -20.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER CA   . . rr_1pdc 1 
       1 . 370 . 1 1 24 SER CB   C 17.574   0.473 -19.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER CB   . . rr_1pdc 1 
       1 . 371 . 1 1 24 SER H    H 17.514  -1.767 -20.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER H    . . rr_1pdc 1 
       1 . 372 . 1 1 24 SER HA   H 17.918   1.014 -21.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HA   . . rr_1pdc 1 
       1 . 373 . 1 1 24 SER HB2  H 16.509   0.269 -19.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HB2  . . rr_1pdc 1 
       1 . 374 . 1 1 24 SER HB3  H 18.037  -0.138 -18.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HB3  . . rr_1pdc 1 
       1 . 375 . 1 1 24 SER HG   H 17.302   2.369 -19.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HG   . . rr_1pdc 1 
       1 . 376 . 1 1 24 SER N    N 17.851  -1.083 -20.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER N    . . rr_1pdc 1 
       1 . 377 . 1 1 24 SER O    O 20.499  -0.074 -21.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER O    . . rr_1pdc 1 
       1 . 378 . 1 1 24 SER OG   O 17.796   1.849 -18.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER OG   . . rr_1pdc 1 
       1 . 379 . 1 1 25 MET C    C 22.204   0.506 -17.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET C    . . rr_1pdc 1 
       1 . 380 . 1 1 25 MET CA   C 21.728   1.028 -18.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CA   . . rr_1pdc 1 
       1 . 381 . 1 1 25 MET CB   C 22.105   2.516 -19.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CB   . . rr_1pdc 1 
       1 . 382 . 1 1 25 MET CE   C 25.503   1.080 -20.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CE   . . rr_1pdc 1 
       1 . 383 . 1 1 25 MET CG   C 23.526   2.632 -19.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CG   . . rr_1pdc 1 
       1 . 384 . 1 1 25 MET H    H 19.634   1.241 -18.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET H    . . rr_1pdc 1 
       1 . 385 . 1 1 25 MET HA   H 22.215   0.452 -19.780 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HA   . . rr_1pdc 1 
       1 . 386 . 1 1 25 MET HB2  H 21.411   3.016 -19.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HB2  . . rr_1pdc 1 
       1 . 387 . 1 1 25 MET HB3  H 22.060   2.981 -18.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HB3  . . rr_1pdc 1 
       1 . 388 . 1 1 25 MET HE1  H 25.422   0.581 -19.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE1  . . rr_1pdc 1 
       1 . 389 . 1 1 25 MET HE2  H 25.842   0.378 -21.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE2  . . rr_1pdc 1 
       1 . 390 . 1 1 25 MET HE3  H 26.212   1.892 -20.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE3  . . rr_1pdc 1 
       1 . 391 . 1 1 25 MET HG2  H 23.734   3.677 -19.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HG2  . . rr_1pdc 1 
       1 . 392 . 1 1 25 MET HG3  H 24.216   2.283 -18.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HG3  . . rr_1pdc 1 
       1 . 393 . 1 1 25 MET N    N 20.245   0.913 -19.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET N    . . rr_1pdc 1 
       1 . 394 . 1 1 25 MET O    O 22.046   1.165 -16.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET O    . . rr_1pdc 1 
       1 . 395 . 1 1 25 MET SD   S 23.884   1.735 -21.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET SD   . . rr_1pdc 1 
       1 . 396 . 1 1 26 TRP C    C 22.387  -0.958 -15.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP C    . . rr_1pdc 1 
       1 . 397 . 1 1 26 TRP CA   C 23.295  -1.285 -16.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CA   . . rr_1pdc 1 
       1 . 398 . 1 1 26 TRP CB   C 24.697  -0.693 -16.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CB   . . rr_1pdc 1 
       1 . 399 . 1 1 26 TRP CD1  C 26.111  -2.720 -15.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CD1  . . rr_1pdc 1 
       1 . 400 . 1 1 26 TRP CD2  C 25.667  -1.371 -13.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CD2  . . rr_1pdc 1 
       1 . 401 . 1 1 26 TRP CE2  C 26.457  -2.351 -13.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CE2  . . rr_1pdc 1 
       1 . 402 . 1 1 26 TRP CE3  C 25.192  -0.330 -13.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CE3  . . rr_1pdc 1 
       1 . 403 . 1 1 26 TRP CG   C 25.485  -1.605 -15.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CG   . . rr_1pdc 1 
       1 . 404 . 1 1 26 TRP CH2  C 26.300  -1.249 -11.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CH2  . . rr_1pdc 1 
       1 . 405 . 1 1 26 TRP CZ2  C 26.773  -2.290 -11.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CZ2  . . rr_1pdc 1 
       1 . 406 . 1 1 26 TRP CZ3  C 25.510  -0.270 -11.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CZ3  . . rr_1pdc 1 
       1 . 407 . 1 1 26 TRP H    H 22.897  -1.159 -18.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP H    . . rr_1pdc 1 
       1 . 408 . 1 1 26 TRP HA   H 23.351  -2.363 -16.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HA   . . rr_1pdc 1 
       1 . 409 . 1 1 26 TRP HB2  H 25.237  -0.607 -17.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HB2  . . rr_1pdc 1 
       1 . 410 . 1 1 26 TRP HB3  H 24.601   0.287 -15.665 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HB3  . . rr_1pdc 1 
       1 . 411 . 1 1 26 TRP HD1  H 26.146  -3.172 -16.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HD1  . . rr_1pdc 1 
       1 . 412 . 1 1 26 TRP HE1  H 27.230  -3.966 -14.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HE1  . . rr_1pdc 1 
       1 . 413 . 1 1 26 TRP HE3  H 24.548   0.424 -13.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HE3  . . rr_1pdc 1 
       1 . 414 . 1 1 26 TRP HH2  H 26.548  -1.202 -10.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HH2  . . rr_1pdc 1 
       1 . 415 . 1 1 26 TRP HZ2  H 27.392  -3.055 -11.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HZ2  . . rr_1pdc 1 
       1 . 416 . 1 1 26 TRP HZ3  H 25.140   0.545 -11.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HZ3  . . rr_1pdc 1 
       1 . 417 . 1 1 26 TRP N    N 22.787  -0.678 -17.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP N    . . rr_1pdc 1 
       1 . 418 . 1 1 26 TRP NE1  N 26.689  -3.151 -14.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP NE1  . . rr_1pdc 1 
       1 . 419 . 1 1 26 TRP O    O 22.852  -0.761 -14.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP O    . . rr_1pdc 1 
       1 . 420 . 1 1 27 MET C    C 18.793  -1.110 -14.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET C    . . rr_1pdc 1 
       1 . 421 . 1 1 27 MET CA   C 20.196  -0.615 -14.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CA   . . rr_1pdc 1 
       1 . 422 . 1 1 27 MET CB   C 20.216   0.919 -14.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CB   . . rr_1pdc 1 
       1 . 423 . 1 1 27 MET CE   C 18.070  -0.379 -11.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CE   . . rr_1pdc 1 
       1 . 424 . 1 1 27 MET CG   C 19.613   1.340 -12.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CG   . . rr_1pdc 1 
       1 . 425 . 1 1 27 MET H    H 20.749  -1.109 -16.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET H    . . rr_1pdc 1 
       1 . 426 . 1 1 27 MET HA   H 20.542  -1.110 -13.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HA   . . rr_1pdc 1 
       1 . 427 . 1 1 27 MET HB2  H 21.221   1.265 -14.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HB2  . . rr_1pdc 1 
       1 . 428 . 1 1 27 MET HB3  H 19.666   1.362 -14.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HB3  . . rr_1pdc 1 
       1 . 429 . 1 1 27 MET HE1  H 17.451   0.314 -11.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HE1  . . rr_1pdc 1 
       1 . 430 . 1 1 27 MET HE2  H 18.014  -1.357 -11.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HE2  . . rr_1pdc 1 
       1 . 431 . 1 1 27 MET HE3  H 17.726  -0.435 -10.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HE3  . . rr_1pdc 1 
       1 . 432 . 1 1 27 MET HG2  H 20.079   2.268 -12.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HG2  . . rr_1pdc 1 
       1 . 433 . 1 1 27 MET HG3  H 18.568   1.540 -12.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HG3  . . rr_1pdc 1 
       1 . 434 . 1 1 27 MET N    N 21.106  -0.927 -15.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET N    . . rr_1pdc 1 
       1 . 435 . 1 1 27 MET O    O 18.645  -2.198 -15.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET O    . . rr_1pdc 1 
       1 . 436 . 1 1 27 MET SD   S 19.780   0.194 -11.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET SD   . . rr_1pdc 1 
       1 . 437 . 1 1 28 SER C    C 15.400   0.281 -14.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER C    . . rr_1pdc 1 
       1 . 438 . 1 1 28 SER CA   C 16.392  -0.723 -14.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER CA   . . rr_1pdc 1 
       1 . 439 . 1 1 28 SER CB   C 16.115  -2.093 -14.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER CB   . . rr_1pdc 1 
       1 . 440 . 1 1 28 SER H    H 17.974   0.571 -13.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER H    . . rr_1pdc 1 
       1 . 441 . 1 1 28 SER HA   H 16.272  -0.771 -15.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HA   . . rr_1pdc 1 
       1 . 442 . 1 1 28 SER HB2  H 15.216  -2.516 -14.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HB2  . . rr_1pdc 1 
       1 . 443 . 1 1 28 SER HB3  H 16.939  -2.768 -14.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HB3  . . rr_1pdc 1 
       1 . 444 . 1 1 28 SER HG   H 16.390  -0.960 -12.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HG   . . rr_1pdc 1 
       1 . 445 . 1 1 28 SER N    N 17.799  -0.308 -14.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER N    . . rr_1pdc 1 
       1 . 446 . 1 1 28 SER O    O 15.795   1.255 -13.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER O    . . rr_1pdc 1 
       1 . 447 . 1 1 28 SER OG   O 15.957  -1.803 -12.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER OG   . . rr_1pdc 1 
       1 . 448 . 1 1 29 TRP C    C 11.909   0.203 -13.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP C    . . rr_1pdc 1 
       1 . 449 . 1 1 29 TRP CA   C 13.081   0.959 -13.766 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CA   . . rr_1pdc 1 
       1 . 450 . 1 1 29 TRP CB   C 12.558   1.791 -14.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CB   . . rr_1pdc 1 
       1 . 451 . 1 1 29 TRP CD1  C 12.571   0.192 -16.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CD1  . . rr_1pdc 1 
       1 . 452 . 1 1 29 TRP CD2  C 10.648   0.603 -15.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CD2  . . rr_1pdc 1 
       1 . 453 . 1 1 29 TRP CE2  C 10.332  -0.277 -16.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CE2  . . rr_1pdc 1 
       1 . 454 . 1 1 29 TRP CE3  C  9.667   1.100 -15.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CE3  . . rr_1pdc 1 
       1 . 455 . 1 1 29 TRP CG   C 11.922   0.862 -15.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CG   . . rr_1pdc 1 
       1 . 456 . 1 1 29 TRP CH2  C  8.045  -0.162 -16.284 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CH2  . . rr_1pdc 1 
       1 . 457 . 1 1 29 TRP CZ2  C  9.029  -0.661 -17.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CZ2  . . rr_1pdc 1 
       1 . 458 . 1 1 29 TRP CZ3  C  8.367   0.715 -15.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CZ3  . . rr_1pdc 1 
       1 . 459 . 1 1 29 TRP H    H 13.853  -0.790 -14.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP H    . . rr_1pdc 1 
       1 . 460 . 1 1 29 TRP HA   H 13.514   1.589 -13.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HA   . . rr_1pdc 1 
       1 . 461 . 1 1 29 TRP HB2  H 11.817   2.485 -14.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HB2  . . rr_1pdc 1 
       1 . 462 . 1 1 29 TRP HB3  H 13.359   2.335 -15.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HB3  . . rr_1pdc 1 
       1 . 463 . 1 1 29 TRP HD1  H 13.654   0.102 -17.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HD1  . . rr_1pdc 1 
       1 . 464 . 1 1 29 TRP HE1  H 11.739  -1.095 -18.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HE1  . . rr_1pdc 1 
       1 . 465 . 1 1 29 TRP HE3  H  9.926   1.789 -14.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HE3  . . rr_1pdc 1 
       1 . 466 . 1 1 29 TRP HH2  H  7.020  -0.451 -16.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HH2  . . rr_1pdc 1 
       1 . 467 . 1 1 29 TRP HZ2  H  8.776  -1.350 -17.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HZ2  . . rr_1pdc 1 
       1 . 468 . 1 1 29 TRP HZ3  H  7.600   1.102 -14.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HZ3  . . rr_1pdc 1 
       1 . 469 . 1 1 29 TRP N    N 14.124   0.015 -14.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP N    . . rr_1pdc 1 
       1 . 470 . 1 1 29 TRP NE1  N 11.582  -0.492 -17.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP NE1  . . rr_1pdc 1 
       1 . 471 . 1 1 29 TRP O    O 11.778  -0.996 -13.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP O    . . rr_1pdc 1 
       1 . 472 . 1 1 30 CYS C    C  8.584   0.960 -12.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS C    . . rr_1pdc 1 
       1 . 473 . 1 1 30 CYS CA   C  9.887   0.297 -11.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS CA   . . rr_1pdc 1 
       1 . 474 . 1 1 30 CYS CB   C 10.019   0.483 -10.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS CB   . . rr_1pdc 1 
       1 . 475 . 1 1 30 CYS H    H 11.220   1.902 -12.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS H    . . rr_1pdc 1 
       1 . 476 . 1 1 30 CYS HA   H  9.855  -0.760 -12.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS HA   . . rr_1pdc 1 
       1 . 477 . 1 1 30 CYS HB2  H 10.518  -0.386  -9.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS HB2  . . rr_1pdc 1 
       1 . 478 . 1 1 30 CYS HB3  H 10.655   1.338 -10.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS HB3  . . rr_1pdc 1 
       1 . 479 . 1 1 30 CYS N    N 11.073   0.933 -12.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS N    . . rr_1pdc 1 
       1 . 480 . 1 1 30 CYS O    O  8.581   2.106 -12.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS O    . . rr_1pdc 1 
       1 . 481 . 1 1 30 CYS SG   S  8.490   0.728  -9.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS SG   . . rr_1pdc 1 
       1 . 482 . 1 1 31 SER C    C  5.370   1.309 -11.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER C    . . rr_1pdc 1 
       1 . 483 . 1 1 31 SER CA   C  6.187   0.799 -12.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER CA   . . rr_1pdc 1 
       1 . 484 . 1 1 31 SER CB   C  5.396  -0.316 -13.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER CB   . . rr_1pdc 1 
       1 . 485 . 1 1 31 SER H    H  7.560  -0.680 -11.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER H    . . rr_1pdc 1 
       1 . 486 . 1 1 31 SER HA   H  6.363   1.624 -13.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HA   . . rr_1pdc 1 
       1 . 487 . 1 1 31 SER HB2  H  6.057  -1.109 -13.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HB2  . . rr_1pdc 1 
       1 . 488 . 1 1 31 SER HB3  H  4.625  -0.701 -12.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HB3  . . rr_1pdc 1 
       1 . 489 . 1 1 31 SER HG   H  4.444   1.160 -14.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HG   . . rr_1pdc 1 
       1 . 490 . 1 1 31 SER N    N  7.505   0.232 -12.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER N    . . rr_1pdc 1 
       1 . 491 . 1 1 31 SER O    O  5.110   0.581 -10.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER O    . . rr_1pdc 1 
       1 . 492 . 1 1 31 SER OG   O  4.813   0.310 -14.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER OG   . . rr_1pdc 1 
       1 . 493 . 1 1 32 LEU C    C  2.730   2.610 -10.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU C    . . rr_1pdc 1 
       1 . 494 . 1 1 32 LEU CA   C  4.158   3.154 -10.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CA   . . rr_1pdc 1 
       1 . 495 . 1 1 32 LEU CB   C  4.137   4.677 -10.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CB   . . rr_1pdc 1 
       1 . 496 . 1 1 32 LEU CD1  C  5.684   6.603 -10.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CD1  . . rr_1pdc 1 
       1 . 497 . 1 1 32 LEU CD2  C  5.676   5.417  -8.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CD2  . . rr_1pdc 1 
       1 . 498 . 1 1 32 LEU CG   C  5.529   5.241 -10.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CG   . . rr_1pdc 1 
       1 . 499 . 1 1 32 LEU H    H  5.182   3.086 -12.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU H    . . rr_1pdc 1 
       1 . 500 . 1 1 32 LEU HA   H  4.613   2.889  -9.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HA   . . rr_1pdc 1 
       1 . 501 . 1 1 32 LEU HB2  H  3.873   4.910 -11.558 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HB2  . . rr_1pdc 1 
       1 . 502 . 1 1 32 LEU HB3  H  3.408   5.119  -9.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HB3  . . rr_1pdc 1 
       1 . 503 . 1 1 32 LEU HD11 H  4.828   7.222 -10.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD11 . . rr_1pdc 1 
       1 . 504 . 1 1 32 LEU HD12 H  6.579   7.089 -10.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD12 . . rr_1pdc 1 
       1 . 505 . 1 1 32 LEU HD13 H  5.754   6.475 -11.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD13 . . rr_1pdc 1 
       1 . 506 . 1 1 32 LEU HD21 H  4.878   6.043  -8.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD21 . . rr_1pdc 1 
       1 . 507 . 1 1 32 LEU HD22 H  5.629   4.454  -8.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD22 . . rr_1pdc 1 
       1 . 508 . 1 1 32 LEU HD23 H  6.625   5.881  -8.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD23 . . rr_1pdc 1 
       1 . 509 . 1 1 32 LEU HG   H  6.290   4.564 -10.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HG   . . rr_1pdc 1 
       1 . 510 . 1 1 32 LEU N    N  4.964   2.555 -11.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU N    . . rr_1pdc 1 
       1 . 511 . 1 1 32 LEU O    O  2.318   1.914  -9.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU O    . . rr_1pdc 1 
       1 . 512 . 1 1 33 SER C    C  0.616   0.983 -11.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER C    . . rr_1pdc 1 
       1 . 513 . 1 1 33 SER CA   C  0.591   2.427 -11.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER CA   . . rr_1pdc 1 
       1 . 514 . 1 1 33 SER CB   C -0.199   3.300 -12.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER CB   . . rr_1pdc 1 
       1 . 515 . 1 1 33 SER H    H  2.347   3.523 -12.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER H    . . rr_1pdc 1 
       1 . 516 . 1 1 33 SER HA   H  0.142   2.452 -10.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HA   . . rr_1pdc 1 
       1 . 517 . 1 1 33 SER HB2  H -1.201   2.927 -12.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HB2  . . rr_1pdc 1 
       1 . 518 . 1 1 33 SER HB3  H -0.221   4.327 -12.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HB3  . . rr_1pdc 1 
       1 . 519 . 1 1 33 SER HG   H  0.136   2.472 -14.231 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HG   . . rr_1pdc 1 
       1 . 520 . 1 1 33 SER N    N  1.989   2.939 -11.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER N    . . rr_1pdc 1 
       1 . 521 . 1 1 33 SER O    O  1.592   0.546 -12.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER O    . . rr_1pdc 1 
       1 . 522 . 1 1 33 SER OG   O  0.527   3.190 -13.700 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER OG   . . rr_1pdc 1 
       1 . 523 . 1 1 34 PRO C    C -0.290  -1.286 -13.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO C    . . rr_1pdc 1 
       1 . 524 . 1 1 34 PRO CA   C -0.541  -1.154 -12.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CA   . . rr_1pdc 1 
       1 . 525 . 1 1 34 PRO CB   C -1.980  -1.583 -11.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CB   . . rr_1pdc 1 
       1 . 526 . 1 1 34 PRO CD   C -1.632   0.761 -11.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CD   . . rr_1pdc 1 
       1 . 527 . 1 1 34 PRO CG   C -2.675  -0.365 -11.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CG   . . rr_1pdc 1 
       1 . 528 . 1 1 34 PRO HA   H  0.192  -1.748 -11.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HA   . . rr_1pdc 1 
       1 . 529 . 1 1 34 PRO HB2  H -2.519  -1.866 -12.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HB2  . . rr_1pdc 1 
       1 . 530 . 1 1 34 PRO HB3  H -1.951  -2.416 -11.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HB3  . . rr_1pdc 1 
       1 . 531 . 1 1 34 PRO HD2  H -1.997   1.661 -11.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HD2  . . rr_1pdc 1 
       1 . 532 . 1 1 34 PRO HD3  H -1.384   0.948  -9.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HD3  . . rr_1pdc 1 
       1 . 533 . 1 1 34 PRO HG2  H -3.513  -0.035 -11.722 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HG2  . . rr_1pdc 1 
       1 . 534 . 1 1 34 PRO HG3  H -3.022  -0.643 -10.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HG3  . . rr_1pdc 1 
       1 . 535 . 1 1 34 PRO N    N -0.452   0.250 -11.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO N    . . rr_1pdc 1 
       1 . 536 . 1 1 34 PRO O    O  0.716  -1.826 -14.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO O    . . rr_1pdc 1 
       1 . 537 . 1 1 35 ASN C    C -0.071   0.212 -16.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN C    . . rr_1pdc 1 
       1 . 538 . 1 1 35 ASN CA   C -1.011  -0.897 -15.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN CA   . . rr_1pdc 1 
       1 . 539 . 1 1 35 ASN CB   C -2.377  -0.728 -16.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN CB   . . rr_1pdc 1 
       1 . 540 . 1 1 35 ASN CG   C -2.176  -0.503 -18.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN CG   . . rr_1pdc 1 
       1 . 541 . 1 1 35 ASN H    H -2.004  -0.375 -14.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN H    . . rr_1pdc 1 
       1 . 542 . 1 1 35 ASN HA   H -0.554  -1.854 -16.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HA   . . rr_1pdc 1 
       1 . 543 . 1 1 35 ASN HB2  H -2.971  -1.617 -16.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HB2  . . rr_1pdc 1 
       1 . 544 . 1 1 35 ASN HB3  H -2.896   0.112 -16.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HB3  . . rr_1pdc 1 
       1 . 545 . 1 1 35 ASN HD21 H -3.544  -1.833 -18.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HD21 . . rr_1pdc 1 
       1 . 546 . 1 1 35 ASN HD22 H -2.769  -1.048 -19.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HD22 . . rr_1pdc 1 
       1 . 547 . 1 1 35 ASN N    N -1.206  -0.801 -14.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN N    . . rr_1pdc 1 
       1 . 548 . 1 1 35 ASN ND2  N -2.889  -1.185 -18.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN ND2  . . rr_1pdc 1 
       1 . 549 . 1 1 35 ASN O    O -0.132   1.312 -15.837 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN O    . . rr_1pdc 1 
       1 . 550 . 1 1 35 ASN OD1  O -1.368   0.289 -18.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN OD1  . . rr_1pdc 1 
       1 . 551 . 1 1 36 TYR C    C  1.241   1.633 -18.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR C    . . rr_1pdc 1 
       1 . 552 . 1 1 36 TYR CA   C  1.751   0.926 -17.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CA   . . rr_1pdc 1 
       1 . 553 . 1 1 36 TYR CB   C  3.059   0.204 -18.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CB   . . rr_1pdc 1 
       1 . 554 . 1 1 36 TYR CD1  C  4.254   1.561 -19.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CD1  . . rr_1pdc 1 
       1 . 555 . 1 1 36 TYR CD2  C  5.010   1.702 -17.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CD2  . . rr_1pdc 1 
       1 . 556 . 1 1 36 TYR CE1  C  5.245   2.415 -20.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CE1  . . rr_1pdc 1 
       1 . 557 . 1 1 36 TYR CE2  C  6.005   2.558 -17.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CE2  . . rr_1pdc 1 
       1 . 558 . 1 1 36 TYR CG   C  4.128   1.196 -18.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CG   . . rr_1pdc 1 
       1 . 559 . 1 1 36 TYR CZ   C  6.129   2.922 -19.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CZ   . . rr_1pdc 1 
       1 . 560 . 1 1 36 TYR H    H  0.812  -0.998 -17.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR H    . . rr_1pdc 1 
       1 . 561 . 1 1 36 TYR HA   H  1.902   1.658 -16.948 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HA   . . rr_1pdc 1 
       1 . 562 . 1 1 36 TYR HB2  H  3.396  -0.372 -17.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HB2  . . rr_1pdc 1 
       1 . 563 . 1 1 36 TYR HB3  H  2.894  -0.448 -18.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HB3  . . rr_1pdc 1 
       1 . 564 . 1 1 36 TYR HD1  H  3.564   1.170 -20.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HD1  . . rr_1pdc 1 
       1 . 565 . 1 1 36 TYR HD2  H  4.925   1.422 -16.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HD2  . . rr_1pdc 1 
       1 . 566 . 1 1 36 TYR HE1  H  5.332   2.685 -21.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HE1  . . rr_1pdc 1 
       1 . 567 . 1 1 36 TYR HE2  H  6.698   2.931 -17.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HE2  . . rr_1pdc 1 
       1 . 568 . 1 1 36 TYR HH   H  7.649   4.002 -18.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HH   . . rr_1pdc 1 
       1 . 569 . 1 1 36 TYR N    N  0.797  -0.096 -17.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR N    . . rr_1pdc 1 
       1 . 570 . 1 1 36 TYR O    O  0.842   2.772 -18.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR O    . . rr_1pdc 1 
       1 . 571 . 1 1 36 TYR OH   O  7.132   3.764 -19.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR OH   . . rr_1pdc 1 
       1 . 572 . 1 1 37 ASP C    C  1.391   2.935 -21.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP C    . . rr_1pdc 1 
       1 . 573 . 1 1 37 ASP CA   C  0.796   1.521 -21.356 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP CA   . . rr_1pdc 1 
       1 . 574 . 1 1 37 ASP CB   C -0.730   1.602 -21.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP CB   . . rr_1pdc 1 
       1 . 575 . 1 1 37 ASP CG   C -1.281   1.841 -22.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP CG   . . rr_1pdc 1 
       1 . 576 . 1 1 37 ASP H    H  1.557  -0.005 -20.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP H    . . rr_1pdc 1 
       1 . 577 . 1 1 37 ASP HA   H  1.114   0.872 -22.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP HA   . . rr_1pdc 1 
       1 . 578 . 1 1 37 ASP HB2  H -1.132   0.678 -20.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP HB2  . . rr_1pdc 1 
       1 . 579 . 1 1 37 ASP HB3  H -1.026   2.410 -20.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP HB3  . . rr_1pdc 1 
       1 . 580 . 1 1 37 ASP N    N  1.268   0.931 -20.068 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP N    . . rr_1pdc 1 
       1 . 581 . 1 1 37 ASP O    O  1.005   3.607 -22.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP O    . . rr_1pdc 1 
       1 . 582 . 1 1 37 ASP OD1  O -0.728   1.239 -23.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP OD1  . . rr_1pdc 1 
       1 . 583 . 1 1 37 ASP OD2  O -2.228   2.597 -22.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP OD2  . . rr_1pdc 1 
       1 . 584 . 1 1 38 LYS C    C  2.287   5.753 -20.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS C    . . rr_1pdc 1 
       1 . 585 . 1 1 38 LYS CA   C  3.004   4.678 -20.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CA   . . rr_1pdc 1 
       1 . 586 . 1 1 38 LYS CB   C  3.083   5.112 -22.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CB   . . rr_1pdc 1 
       1 . 587 . 1 1 38 LYS CD   C  5.164   4.065 -23.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CD   . . rr_1pdc 1 
       1 . 588 . 1 1 38 LYS CE   C  5.730   2.758 -23.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CE   . . rr_1pdc 1 
       1 . 589 . 1 1 38 LYS CG   C  3.639   3.952 -23.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CG   . . rr_1pdc 1 
       1 . 590 . 1 1 38 LYS H    H  2.570   2.754 -20.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS H    . . rr_1pdc 1 
       1 . 591 . 1 1 38 LYS HA   H  4.005   4.585 -20.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HA   . . rr_1pdc 1 
       1 . 592 . 1 1 38 LYS HB2  H  2.099   5.384 -22.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HB2  . . rr_1pdc 1 
       1 . 593 . 1 1 38 LYS HB3  H  3.733   5.970 -22.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HB3  . . rr_1pdc 1 
       1 . 594 . 1 1 38 LYS HD2  H  5.427   4.884 -23.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HD2  . . rr_1pdc 1 
       1 . 595 . 1 1 38 LYS HD3  H  5.575   4.249 -22.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HD3  . . rr_1pdc 1 
       1 . 596 . 1 1 38 LYS HE2  H  5.292   1.917 -23.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HE2  . . rr_1pdc 1 
       1 . 597 . 1 1 38 LYS HE3  H  5.486   2.682 -24.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HE3  . . rr_1pdc 1 
       1 . 598 . 1 1 38 LYS HG2  H  3.376   3.008 -22.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HG2  . . rr_1pdc 1 
       1 . 599 . 1 1 38 LYS HG3  H  3.212   4.000 -24.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HG3  . . rr_1pdc 1 
       1 . 600 . 1 1 38 LYS HZ1  H  7.518   3.518 -23.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HZ1  . . rr_1pdc 1 
       1 . 601 . 1 1 38 LYS HZ2  H  7.497   1.822 -23.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HZ2  . . rr_1pdc 1 
       1 . 602 . 1 1 38 LYS HZ3  H  7.672   2.800 -24.643 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HZ3  . . rr_1pdc 1 
       1 . 603 . 1 1 38 LYS N    N  2.332   3.333 -20.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS N    . . rr_1pdc 1 
       1 . 604 . 1 1 38 LYS NZ   N  7.216   2.721 -23.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS NZ   . . rr_1pdc 1 
       1 . 605 . 1 1 38 LYS O    O  2.682   6.900 -20.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS O    . . rr_1pdc 1 
       1 . 606 . 1 1 39 ASP C    C  1.367   6.774 -17.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP C    . . rr_1pdc 1 
       1 . 607 . 1 1 39 ASP CA   C  0.513   6.369 -18.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP CA   . . rr_1pdc 1 
       1 . 608 . 1 1 39 ASP CB   C -0.786   5.695 -18.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP CB   . . rr_1pdc 1 
       1 . 609 . 1 1 39 ASP CG   C -1.631   6.698 -17.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP CG   . . rr_1pdc 1 
       1 . 610 . 1 1 39 ASP H    H  0.961   4.440 -19.398 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP H    . . rr_1pdc 1 
       1 . 611 . 1 1 39 ASP HA   H  0.298   7.247 -19.165 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP HA   . . rr_1pdc 1 
       1 . 612 . 1 1 39 ASP HB2  H -1.357   5.334 -18.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP HB2  . . rr_1pdc 1 
       1 . 613 . 1 1 39 ASP HB3  H -0.538   4.861 -17.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP HB3  . . rr_1pdc 1 
       1 . 614 . 1 1 39 ASP N    N  1.255   5.372 -19.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP N    . . rr_1pdc 1 
       1 . 615 . 1 1 39 ASP O    O  1.025   6.462 -16.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP O    . . rr_1pdc 1 
       1 . 616 . 1 1 39 ASP OD1  O -1.347   7.876 -17.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP OD1  . . rr_1pdc 1 
       1 . 617 . 1 1 39 ASP OD2  O -2.501   6.228 -16.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP OD2  . . rr_1pdc 1 
       1 . 618 . 1 1 40 ARG C    C  3.373   6.882 -15.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG C    . . rr_1pdc 1 
       1 . 619 . 1 1 40 ARG CA   C  3.377   7.922 -16.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CA   . . rr_1pdc 1 
       1 . 620 . 1 1 40 ARG CB   C  2.903   9.305 -15.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CB   . . rr_1pdc 1 
       1 . 621 . 1 1 40 ARG CD   C  1.446   8.883 -13.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CD   . . rr_1pdc 1 
       1 . 622 . 1 1 40 ARG CG   C  1.449   9.235 -15.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CG   . . rr_1pdc 1 
       1 . 623 . 1 1 40 ARG CZ   C -0.259   7.181 -13.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CZ   . . rr_1pdc 1 
       1 . 624 . 1 1 40 ARG H    H  2.681   7.716 -18.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG H    . . rr_1pdc 1 
       1 . 625 . 1 1 40 ARG HA   H  4.391   7.995 -16.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HA   . . rr_1pdc 1 
       1 . 626 . 1 1 40 ARG HB2  H  3.560   9.612 -15.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HB2  . . rr_1pdc 1 
       1 . 627 . 1 1 40 ARG HB3  H  2.958  10.039 -16.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HB3  . . rr_1pdc 1 
       1 . 628 . 1 1 40 ARG HD2  H  2.441   9.003 -13.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HD2  . . rr_1pdc 1 
       1 . 629 . 1 1 40 ARG HD3  H  0.766   9.538 -13.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HD3  . . rr_1pdc 1 
       1 . 630 . 1 1 40 ARG HE   H  1.668   6.730 -13.669 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HE   . . rr_1pdc 1 
       1 . 631 . 1 1 40 ARG HG2  H  0.974  10.196 -15.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HG2  . . rr_1pdc 1 
       1 . 632 . 1 1 40 ARG HG3  H  0.899   8.501 -15.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HG3  . . rr_1pdc 1 
       1 . 633 . 1 1 40 ARG HH11 H -0.483   7.462 -15.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH11 . . rr_1pdc 1 
       1 . 634 . 1 1 40 ARG HH12 H -1.913   7.015 -14.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH12 . . rr_1pdc 1 
       1 . 635 . 1 1 40 ARG HH21 H -0.215   6.850 -11.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH21 . . rr_1pdc 1 
       1 . 636 . 1 1 40 ARG HH22 H -1.752   6.655 -12.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH22 . . rr_1pdc 1 
       1 . 637 . 1 1 40 ARG N    N  2.467   7.480 -17.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG N    . . rr_1pdc 1 
       1 . 638 . 1 1 40 ARG NE   N  1.001   7.457 -13.737 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG NE   . . rr_1pdc 1 
       1 . 639 . 1 1 40 ARG NH1  N -0.936   7.222 -14.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG NH1  . . rr_1pdc 1 
       1 . 640 . 1 1 40 ARG NH2  N -0.783   6.873 -12.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG NH2  . . rr_1pdc 1 
       1 . 641 . 1 1 40 ARG O    O  3.516   7.195 -14.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG O    . . rr_1pdc 1 
       1 . 642 . 1 1 41 ALA C    C  4.618   4.085 -14.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA C    . . rr_1pdc 1 
       1 . 643 . 1 1 41 ALA CA   C  3.244   4.554 -14.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA CA   . . rr_1pdc 1 
       1 . 644 . 1 1 41 ALA CB   C  2.514   3.371 -15.422 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA CB   . . rr_1pdc 1 
       1 . 645 . 1 1 41 ALA H    H  3.202   5.434 -16.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA H    . . rr_1pdc 1 
       1 . 646 . 1 1 41 ALA HA   H  2.711   4.899 -13.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HA   . . rr_1pdc 1 
       1 . 647 . 1 1 41 ALA HB1  H  1.532   3.681 -15.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HB1  . . rr_1pdc 1 
       1 . 648 . 1 1 41 ALA HB2  H  3.077   3.014 -16.270 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HB2  . . rr_1pdc 1 
       1 . 649 . 1 1 41 ALA HB3  H  2.413   2.573 -14.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HB3  . . rr_1pdc 1 
       1 . 650 . 1 1 41 ALA N    N  3.268   5.643 -15.785 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA N    . . rr_1pdc 1 
       1 . 651 . 1 1 41 ALA O    O  4.779   2.929 -14.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA O    . . rr_1pdc 1 
       1 . 652 . 1 1 42 TRP C    C  7.904   5.530 -13.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP C    . . rr_1pdc 1 
       1 . 653 . 1 1 42 TRP CA   C  6.919   4.452 -13.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CA   . . rr_1pdc 1 
       1 . 654 . 1 1 42 TRP CB   C  7.544   3.652 -15.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CB   . . rr_1pdc 1 
       1 . 655 . 1 1 42 TRP CD1  C  6.899   5.415 -16.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CD1  . . rr_1pdc 1 
       1 . 656 . 1 1 42 TRP CD2  C  8.872   4.528 -16.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CD2  . . rr_1pdc 1 
       1 . 657 . 1 1 42 TRP CE2  C  8.783   5.400 -18.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CE2  . . rr_1pdc 1 
       1 . 658 . 1 1 42 TRP CE3  C  9.985   3.727 -16.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CE3  . . rr_1pdc 1 
       1 . 659 . 1 1 42 TRP CG   C  7.785   4.554 -16.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CG   . . rr_1pdc 1 
       1 . 660 . 1 1 42 TRP CH2  C 10.923   4.655 -18.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CH2  . . rr_1pdc 1 
       1 . 661 . 1 1 42 TRP CZ2  C  9.811   5.465 -18.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CZ2  . . rr_1pdc 1 
       1 . 662 . 1 1 42 TRP CZ3  C 11.002   3.784 -17.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CZ3  . . rr_1pdc 1 
       1 . 663 . 1 1 42 TRP H    H  5.452   5.879 -14.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP H    . . rr_1pdc 1 
       1 . 664 . 1 1 42 TRP HA   H  6.759   3.795 -13.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HA   . . rr_1pdc 1 
       1 . 665 . 1 1 42 TRP HB2  H  8.482   3.235 -14.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HB2  . . rr_1pdc 1 
       1 . 666 . 1 1 42 TRP HB3  H  6.879   2.850 -15.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HB3  . . rr_1pdc 1 
       1 . 667 . 1 1 42 TRP HD1  H  5.865   5.547 -16.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HD1  . . rr_1pdc 1 
       1 . 668 . 1 1 42 TRP HE1  H  7.129   6.608 -18.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HE1  . . rr_1pdc 1 
       1 . 669 . 1 1 42 TRP HE3  H 10.078   3.082 -15.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HE3  . . rr_1pdc 1 
       1 . 670 . 1 1 42 TRP HH2  H 11.732   4.706 -19.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HH2  . . rr_1pdc 1 
       1 . 671 . 1 1 42 TRP HZ2  H  9.746   6.147 -19.795 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HZ2  . . rr_1pdc 1 
       1 . 672 . 1 1 42 TRP HZ3  H 11.841   3.116 -17.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HZ3  . . rr_1pdc 1 
       1 . 673 . 1 1 42 TRP N    N  5.594   4.945 -14.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP N    . . rr_1pdc 1 
       1 . 674 . 1 1 42 TRP NE1  N  7.527   5.920 -17.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP NE1  . . rr_1pdc 1 
       1 . 675 . 1 1 42 TRP O    O  7.633   6.718 -13.441 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP O    . . rr_1pdc 1 
       1 . 676 . 1 1 43 LYS C    C 11.403   4.991 -12.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS C    . . rr_1pdc 1 
       1 . 677 . 1 1 43 LYS CA   C 10.181   5.838 -12.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CA   . . rr_1pdc 1 
       1 . 678 . 1 1 43 LYS CB   C 10.029   6.112 -11.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CB   . . rr_1pdc 1 
       1 . 679 . 1 1 43 LYS CD   C  9.935   5.046  -8.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CD   . . rr_1pdc 1 
       1 . 680 . 1 1 43 LYS CE   C 11.266   5.265  -8.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CE   . . rr_1pdc 1 
       1 . 681 . 1 1 43 LYS CG   C 10.198   4.797 -10.350 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CG   . . rr_1pdc 1 
       1 . 682 . 1 1 43 LYS H    H  9.158   4.049 -13.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS H    . . rr_1pdc 1 
       1 . 683 . 1 1 43 LYS HA   H 10.246   6.748 -13.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HA   . . rr_1pdc 1 
       1 . 684 . 1 1 43 LYS HB2  H 10.779   6.821 -10.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HB2  . . rr_1pdc 1 
       1 . 685 . 1 1 43 LYS HB3  H  9.050   6.525 -10.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HB3  . . rr_1pdc 1 
       1 . 686 . 1 1 43 LYS HD2  H  9.310   5.919  -8.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HD2  . . rr_1pdc 1 
       1 . 687 . 1 1 43 LYS HD3  H  9.428   4.190  -8.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HD3  . . rr_1pdc 1 
       1 . 688 . 1 1 43 LYS HE2  H 11.887   4.384  -8.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HE2  . . rr_1pdc 1 
       1 . 689 . 1 1 43 LYS HE3  H 11.780   6.114  -8.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HE3  . . rr_1pdc 1 
       1 . 690 . 1 1 43 LYS HG2  H  9.498   4.063 -10.725 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HG2  . . rr_1pdc 1 
       1 . 691 . 1 1 43 LYS HG3  H 11.204   4.423 -10.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HG3  . . rr_1pdc 1 
       1 . 692 . 1 1 43 LYS HZ1  H 10.251   4.913  -6.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HZ1  . . rr_1pdc 1 
       1 . 693 . 1 1 43 LYS HZ2  H 11.893   5.319  -6.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HZ2  . . rr_1pdc 1 
       1 . 694 . 1 1 43 LYS HZ3  H 10.760   6.523  -6.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HZ3  . . rr_1pdc 1 
       1 . 695 . 1 1 43 LYS N    N  9.043   5.025 -13.101 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS N    . . rr_1pdc 1 
       1 . 696 . 1 1 43 LYS NZ   N 11.024   5.524  -6.686 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS NZ   . . rr_1pdc 1 
       1 . 697 . 1 1 43 LYS O    O 11.285   3.774 -12.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS O    . . rr_1pdc 1 
       1 . 698 . 1 1 44 TYR C    C 14.059   4.037 -11.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR C    . . rr_1pdc 1 
       1 . 699 . 1 1 44 TYR CA   C 13.680   4.664 -13.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CA   . . rr_1pdc 1 
       1 . 700 . 1 1 44 TYR CB   C 14.869   5.427 -13.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CB   . . rr_1pdc 1 
       1 . 701 . 1 1 44 TYR CD1  C 15.375   3.613 -15.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CD1  . . rr_1pdc 1 
       1 . 702 . 1 1 44 TYR CD2  C 17.108   4.168 -14.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CD2  . . rr_1pdc 1 
       1 . 703 . 1 1 44 TYR CE1  C 16.173   2.662 -16.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CE1  . . rr_1pdc 1 
       1 . 704 . 1 1 44 TYR CE2  C 17.910   3.210 -14.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CE2  . . rr_1pdc 1 
       1 . 705 . 1 1 44 TYR CG   C 15.827   4.377 -14.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CG   . . rr_1pdc 1 
       1 . 706 . 1 1 44 TYR CZ   C 17.442   2.452 -15.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CZ   . . rr_1pdc 1 
       1 . 707 . 1 1 44 TYR H    H 12.656   6.543 -13.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR H    . . rr_1pdc 1 
       1 . 708 . 1 1 44 TYR HA   H 13.344   3.866 -13.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HA   . . rr_1pdc 1 
       1 . 709 . 1 1 44 TYR HB2  H 14.527   6.087 -14.725 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HB2  . . rr_1pdc 1 
       1 . 710 . 1 1 44 TYR HB3  H 15.379   5.999 -13.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HB3  . . rr_1pdc 1 
       1 . 711 . 1 1 44 TYR HD1  H 14.383   3.784 -15.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HD1  . . rr_1pdc 1 
       1 . 712 . 1 1 44 TYR HD2  H 17.486   4.736 -13.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HD2  . . rr_1pdc 1 
       1 . 713 . 1 1 44 TYR HE1  H 15.787   2.057 -16.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HE1  . . rr_1pdc 1 
       1 . 714 . 1 1 44 TYR HE2  H 18.910   3.059 -14.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HE2  . . rr_1pdc 1 
       1 . 715 . 1 1 44 TYR HH   H 18.417   1.801 -17.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HH   . . rr_1pdc 1 
       1 . 716 . 1 1 44 TYR N    N 12.552   5.569 -13.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR N    . . rr_1pdc 1 
       1 . 717 . 1 1 44 TYR O    O 13.742   4.583 -10.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR O    . . rr_1pdc 1 
       1 . 718 . 1 1 44 TYR OH   O 18.235   1.506 -16.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR OH   . . rr_1pdc 1 
       1 . 719 . 1 1 45 CYS C    C 16.606   2.389 -10.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS C    . . rr_1pdc 1 
       1 . 720 . 1 1 45 CYS CA   C 15.113   2.260 -10.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS CA   . . rr_1pdc 1 
       1 . 721 . 1 1 45 CYS CB   C 14.736   0.746 -10.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS CB   . . rr_1pdc 1 
       1 . 722 . 1 1 45 CYS H    H 15.004   2.560 -12.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS H    . . rr_1pdc 1 
       1 . 723 . 1 1 45 CYS HA   H 14.572   2.737  -9.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS HA   . . rr_1pdc 1 
       1 . 724 . 1 1 45 CYS HB2  H 14.741   0.436 -11.851 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS HB2  . . rr_1pdc 1 
       1 . 725 . 1 1 45 CYS HB3  H 15.502   0.181 -10.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS HB3  . . rr_1pdc 1 
       1 . 726 . 1 1 45 CYS N    N 14.721   2.926 -12.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS N    . . rr_1pdc 1 
       1 . 727 . 1 1 45 CYS O    O 16.990   1.965  -9.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS O    . . rr_1pdc 1 
       1 . 728 . 1 1 45 CYS OXT  O 17.280   2.906 -11.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS OXT  . . rr_1pdc 1 
       1 . 729 . 1 1 45 CYS SG   S 13.134   0.247 -10.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS SG   . . rr_1pdc 1 
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_framecode  global_Org_file_characteristics
    _Constraint_stat_list.Sf_category   constraint_statistics
    _Constraint_stat_list.Entry_ID      rr_1pdc
    _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 1pdc.mr . . "MR format" 1  comment               "Not applicable" "Not applicable" 0 rr_1pdc 1 
       1 1pdc.mr . .  n/a        2  comment               "Not applicable" "Not applicable" 0 rr_1pdc 1 
       1 1pdc.mr . .  unknown    3 "dihedral angle"       "Not applicable" "Not applicable" 0 rr_1pdc 1 
       1 1pdc.mr . .  n/a        4  comment               "Not applicable" "Not applicable" 0 rr_1pdc 1 
       1 1pdc.mr . .  unknown    5  distance               NOE              simple          0 rr_1pdc 1 
       1 1pdc.mr . .  n/a        6  comment               "Not applicable" "Not applicable" 0 rr_1pdc 1 
       1 1pdc.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1pdc 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            rr_1pdc
    _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 COLLAGEN-BINDING TYPE II DOMAIN 10-OCT-91 1PDC *COMPND SEMINAL FLUID PROTEIN PDC-109 (DOMAIN B) *COMPND 2 (NMR, BEST STRUCTURE) *SOURCE BOVINE (BOS TAURUS) SEMINAL FLUID *AUTHOR M.LLINAS,K.L.CONSTANTINE,L.PATTHY *REVDAT 1 31-JAN-94 1PDC 0 Refined Solution Structure and Ligand-Binding Properties of PDC-109 Domain b, a Collagen-Binding Type II Domain Supplementary Material "

save_


save_MR_file_comment_4
    _Org_constr_file_comment.Sf_framecode        MR_file_comment_4
    _Org_constr_file_comment.Sf_category         org_constr_file_comment
    _Org_constr_file_comment.Entry_ID            rr_1pdc
    _Org_constr_file_comment.ID                  3
    _Org_constr_file_comment.Constraint_file_ID  1
    _Org_constr_file_comment.Block_ID            4
    _Org_constr_file_comment.Details             "Generated by Wattos"
    _Org_constr_file_comment.Comment             
; Table S2 Distance Constraints Used in PDC-109/b XPLOR Computations __________________________________________________________________ upper bounds (A) ___________________ refined estimated
residue 1 atom 1 residue 2 atom 2 set set 
;


save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_framecode        MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment
    _Org_constr_file_comment.Entry_ID            rr_1pdc
    _Org_constr_file_comment.ID                  2
    _Org_constr_file_comment.Constraint_file_ID  1
    _Org_constr_file_comment.Block_ID            2
    _Org_constr_file_comment.Details             "Generated by Wattos"
    _Org_constr_file_comment.Comment             
; Table S1 PDC-109/b Dihedral Angle Constraints __________________________________________________________________ dihedral angle (deg) residue PHI CHI1
__________________________________________________________________
;


save_


save_MR_file_comment_6
    _Org_constr_file_comment.Sf_framecode        MR_file_comment_6
    _Org_constr_file_comment.Sf_category         org_constr_file_comment
    _Org_constr_file_comment.Entry_ID            rr_1pdc
    _Org_constr_file_comment.ID                  4
    _Org_constr_file_comment.Constraint_file_ID  1
    _Org_constr_file_comment.Block_ID            6
    _Org_constr_file_comment.Details             "Generated by Wattos"
    _Org_constr_file_comment.Comment             
; Atom names refer to XPLOR [Brunger, A. T. (1990). X-PLOR (Version 2.1) Manual, Yale University Press] notation. An asterisk (*) following an atom name indicates that r to the -6 averaging was used for the equivalent or non-stereospecifically assigned proton pair.
The third set of constraints consists of max(refined,estimated) distances.
Distances were refined using the MIDGE program [Madrid, M., Llinas, E. & Llinas, M. (1990). J. Mag. Reson., in press.] 
;


save_



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