global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
DLY      DLY 'D-LYSINE                            ' peptide            23  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DLY
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 DLY           N      N    NH2       0.000      0.000    0.000    0.000
 DLY           HN1    H    H         0.000      0.659   -0.605   -0.476
 DLY           HN2    H    H         0.000      0.226    0.352    0.923
 DLY           CA     C    CH1       0.000     -1.270    0.363   -0.641
 DLY           HA     H    H         0.000     -1.364    1.457   -0.676
 DLY           CB     C    CH2       0.000     -2.431   -0.223    0.164
 DLY           HB2    H    H         0.000     -2.338   -1.310    0.197
 DLY           HB3    H    H         0.000     -3.376    0.046   -0.313
 DLY           CG     C    CH2       0.000     -2.400    0.337    1.587
 DLY           HG2    H    H         0.000     -2.492    1.424    1.551
 DLY           HG3    H    H         0.000     -1.455    0.068    2.062
 DLY           CD     C    CH2       0.000     -3.561   -0.248    2.392
 DLY           HD2    H    H         0.000     -3.468   -1.335    2.425
 DLY           HD3    H    H         0.000     -4.506    0.022    1.914
 DLY           CE     C    CH2       0.000     -3.530    0.312    3.815
 DLY           HE2    H    H         0.000     -3.622    1.399    3.779
 DLY           HE3    H    H         0.000     -2.584    0.043    4.289
 DLY           NZ     N    NH2       0.000     -4.645   -0.250    4.588
 DLY           HNZ2   H    H         0.000     -5.331   -0.844    4.138
 DLY           HNZ1   H    H         0.000     -4.735   -0.047    5.576
 DLY           C      C    C         0.000     -1.301   -0.189   -2.042
 DLY           O      O    OC       -0.500     -0.684   -1.242   -2.314
 DLY           OXT    O    OC       -0.500     -1.945    0.406   -2.935
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 DLY      N      n/a    CA     START
 DLY      HN1    N      .      .
 DLY      HN2    N      .      .
 DLY      CA     N      C      .
 DLY      HA     CA     .      .
 DLY      CB     CA     CG     .
 DLY      HB2    CB     .      .
 DLY      HB3    CB     .      .
 DLY      CG     CB     CD     .
 DLY      HG2    CG     .      .
 DLY      HG3    CG     .      .
 DLY      CD     CG     CE     .
 DLY      HD2    CD     .      .
 DLY      HD3    CD     .      .
 DLY      CE     CD     NZ     .
 DLY      HE2    CE     .      .
 DLY      HE3    CE     .      .
 DLY      NZ     CE     HNZ1   .
 DLY      HNZ2   NZ     .      .
 DLY      HNZ1   NZ     .      .
 DLY      C      CA     .      END
 DLY      O      C      .      .
 DLY      OXT    C      .      .
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 DLY      CA     N         single      1.450    0.020
 DLY      C      CA        single      1.500    0.020
 DLY      CB     CA        single      1.524    0.020
 DLY      HA     CA        single      1.099    0.020
 DLY      O      C         deloc       1.250    0.020
 DLY      OXT    C         deloc       1.250    0.020
 DLY      CG     CB        single      1.524    0.020
 DLY      HB2    CB        single      1.092    0.020
 DLY      HB3    CB        single      1.092    0.020
 DLY      CD     CG        single      1.524    0.020
 DLY      HG2    CG        single      1.092    0.020
 DLY      HG3    CG        single      1.092    0.020
 DLY      CE     CD        single      1.524    0.020
 DLY      HD2    CD        single      1.092    0.020
 DLY      HD3    CD        single      1.092    0.020
 DLY      NZ     CE        single      1.450    0.020
 DLY      HE2    CE        single      1.092    0.020
 DLY      HE3    CE        single      1.092    0.020
 DLY      HN1    N         single      1.010    0.020
 DLY      HN2    N         single      1.010    0.020
 DLY      HNZ1   NZ        single      1.010    0.020
 DLY      HNZ2   NZ        single      1.010    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 DLY      HN1    N      HN2     120.000    3.000
 DLY      HN1    N      CA      120.000    3.000
 DLY      HN2    N      CA      120.000    3.000
 DLY      N      CA     HA      109.470    3.000
 DLY      N      CA     CB      109.470    3.000
 DLY      N      CA     C       109.470    3.000
 DLY      HA     CA     CB      108.340    3.000
 DLY      HA     CA     C       108.810    3.000
 DLY      CB     CA     C       109.470    3.000
 DLY      CA     CB     HB2     109.470    3.000
 DLY      CA     CB     HB3     109.470    3.000
 DLY      CA     CB     CG      111.000    3.000
 DLY      HB2    CB     HB3     107.900    3.000
 DLY      HB2    CB     CG      109.470    3.000
 DLY      HB3    CB     CG      109.470    3.000
 DLY      CB     CG     HG2     109.470    3.000
 DLY      CB     CG     HG3     109.470    3.000
 DLY      CB     CG     CD      111.000    3.000
 DLY      HG2    CG     HG3     107.900    3.000
 DLY      HG2    CG     CD      109.470    3.000
 DLY      HG3    CG     CD      109.470    3.000
 DLY      CG     CD     HD2     109.470    3.000
 DLY      CG     CD     HD3     109.470    3.000
 DLY      CG     CD     CE      111.000    3.000
 DLY      HD2    CD     HD3     107.900    3.000
 DLY      HD2    CD     CE      109.470    3.000
 DLY      HD3    CD     CE      109.470    3.000
 DLY      CD     CE     HE2     109.470    3.000
 DLY      CD     CE     HE3     109.470    3.000
 DLY      CD     CE     NZ      109.470    3.000
 DLY      HE2    CE     HE3     107.900    3.000
 DLY      HE2    CE     NZ      109.470    3.000
 DLY      HE3    CE     NZ      109.470    3.000
 DLY      CE     NZ     HNZ2    120.000    3.000
 DLY      CE     NZ     HNZ1    120.000    3.000
 DLY      HNZ2   NZ     HNZ1    120.000    3.000
 DLY      CA     C      O       118.500    3.000
 DLY      CA     C      OXT     118.500    3.000
 DLY      O      C      OXT     123.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 DLY      var_1    HN2    N      CA     C        175.000   20.000   1
 DLY      var_2    N      CA     CB     CG        59.995   20.000   3
 DLY      var_3    CA     CB     CG     CD       179.972   20.000   3
 DLY      var_4    CB     CG     CD     CE       180.000   20.000   3
 DLY      var_5    CG     CD     CE     NZ      -179.982   20.000   3
 DLY      var_6    CD     CE     NZ     HNZ1     175.000   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 DLY      chir_01  CA     N      C      CB        negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 DLY      plan-1    N         0.020
 DLY      plan-1    CA        0.020
 DLY      plan-1    HN1       0.020
 DLY      plan-1    HN2       0.020
 DLY      plan-2    C         0.020
 DLY      plan-2    CA        0.020
 DLY      plan-2    O         0.020
 DLY      plan-2    OXT       0.020
 DLY      plan-3    NZ        0.020
 DLY      plan-3    CE        0.020
 DLY      plan-3    HNZ1      0.020
 DLY      plan-3    HNZ2      0.020
# ------------------------------------------------------
