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
LYZ      LYZ '5-HYDROXYLYSINE                     ' peptide            24  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LYZ
#
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
 LYZ           N      N    NH2       0.000      0.000    0.000    0.000
 LYZ           HN1    H    H         0.000      0.858   -0.539    0.005
 LYZ           HN2    H    H         0.000     -0.391    0.303   -0.884
 LYZ           CA     C    CH1       0.000     -0.670    0.339    1.263
 LYZ           HA     H    H         0.000     -0.650    1.428    1.407
 LYZ           CB     C    CH2       0.000     -2.121   -0.142    1.214
 LYZ           HB2    H    H         0.000     -2.618    0.110    2.154
 LYZ           HB3    H    H         0.000     -2.140   -1.224    1.072
 LYZ           CG     C    CH2       0.000     -2.846    0.539    0.054
 LYZ           HG2    H    H         0.000     -2.347    0.287   -0.884
 LYZ           HG3    H    H         0.000     -2.825    1.621    0.198
 LYZ           CD     C    CH1       0.000     -4.297    0.057    0.006
 LYZ           HD     H    H         0.000     -4.317   -1.032   -0.139
 LYZ           OH     O    OH1       0.000     -4.949    0.387    1.234
 LYZ           HH     H    H         0.000     -4.931    1.346    1.361
 LYZ           CE     C    CH2       0.000     -5.024    0.739   -1.154
 LYZ           HE2    H    H         0.000     -4.524    0.489   -2.092
 LYZ           HE3    H    H         0.000     -5.003    1.821   -1.009
 LYZ           NZ     N    NH2       0.000     -6.416    0.277   -1.201
 LYZ           HNZ2   H    H         0.000     -6.735   -0.451   -0.573
 LYZ           HNZ1   H    H         0.000     -7.068    0.682   -1.863
 LYZ           C      C    C         0.000      0.046   -0.331    2.405
 LYZ           O      O    OC       -0.500      0.633   -1.421    2.223
 LYZ           OXT    O    OC       -0.500      0.052    0.199    3.538
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
 LYZ      N      n/a    CA     START
 LYZ      HN1    N      .      .
 LYZ      HN2    N      .      .
 LYZ      CA     N      C      .
 LYZ      HA     CA     .      .
 LYZ      CB     CA     CG     .
 LYZ      HB2    CB     .      .
 LYZ      HB3    CB     .      .
 LYZ      CG     CB     CD     .
 LYZ      HG2    CG     .      .
 LYZ      HG3    CG     .      .
 LYZ      CD     CG     CE     .
 LYZ      HD     CD     .      .
 LYZ      OH     CD     HH     .
 LYZ      HH     OH     .      .
 LYZ      CE     CD     NZ     .
 LYZ      HE2    CE     .      .
 LYZ      HE3    CE     .      .
 LYZ      NZ     CE     HNZ1   .
 LYZ      HNZ2   NZ     .      .
 LYZ      HNZ1   NZ     .      .
 LYZ      C      CA     .      END
 LYZ      O      C      .      .
 LYZ      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
 LYZ      CA     N         single      1.450    0.020
 LYZ      C      CA        single      1.500    0.020
 LYZ      CB     CA        single      1.524    0.020
 LYZ      HA     CA        single      1.099    0.020
 LYZ      O      C         deloc       1.250    0.020
 LYZ      OXT    C         deloc       1.250    0.020
 LYZ      CG     CB        single      1.524    0.020
 LYZ      HB2    CB        single      1.092    0.020
 LYZ      HB3    CB        single      1.092    0.020
 LYZ      CD     CG        single      1.524    0.020
 LYZ      HG2    CG        single      1.092    0.020
 LYZ      HG3    CG        single      1.092    0.020
 LYZ      CE     CD        single      1.524    0.020
 LYZ      OH     CD        single      1.432    0.020
 LYZ      HD     CD        single      1.099    0.020
 LYZ      NZ     CE        single      1.450    0.020
 LYZ      HE2    CE        single      1.092    0.020
 LYZ      HE3    CE        single      1.092    0.020
 LYZ      HH     OH        single      0.967    0.020
 LYZ      HN1    N         single      1.010    0.020
 LYZ      HN2    N         single      1.010    0.020
 LYZ      HNZ1   NZ        single      1.010    0.020
 LYZ      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
 LYZ      HN1    N      HN2     120.000    3.000
 LYZ      HN1    N      CA      120.000    3.000
 LYZ      HN2    N      CA      120.000    3.000
 LYZ      N      CA     HA      109.470    3.000
 LYZ      N      CA     CB      109.470    3.000
 LYZ      N      CA     C       109.470    3.000
 LYZ      HA     CA     CB      108.340    3.000
 LYZ      HA     CA     C       108.810    3.000
 LYZ      CB     CA     C       109.470    3.000
 LYZ      CA     CB     HB2     109.470    3.000
 LYZ      CA     CB     HB3     109.470    3.000
 LYZ      CA     CB     CG      111.000    3.000
 LYZ      HB2    CB     HB3     107.900    3.000
 LYZ      HB2    CB     CG      109.470    3.000
 LYZ      HB3    CB     CG      109.470    3.000
 LYZ      CB     CG     HG2     109.470    3.000
 LYZ      CB     CG     HG3     109.470    3.000
 LYZ      CB     CG     CD      111.000    3.000
 LYZ      HG2    CG     HG3     107.900    3.000
 LYZ      HG2    CG     CD      109.470    3.000
 LYZ      HG3    CG     CD      109.470    3.000
 LYZ      CG     CD     HD      108.340    3.000
 LYZ      CG     CD     OH      109.470    3.000
 LYZ      CG     CD     CE      109.470    3.000
 LYZ      HD     CD     OH      109.470    3.000
 LYZ      HD     CD     CE      108.340    3.000
 LYZ      OH     CD     CE      109.470    3.000
 LYZ      CD     OH     HH      109.470    3.000
 LYZ      CD     CE     HE2     109.470    3.000
 LYZ      CD     CE     HE3     109.470    3.000
 LYZ      CD     CE     NZ      109.470    3.000
 LYZ      HE2    CE     HE3     107.900    3.000
 LYZ      HE2    CE     NZ      109.470    3.000
 LYZ      HE3    CE     NZ      109.470    3.000
 LYZ      CE     NZ     HNZ2    120.000    3.000
 LYZ      CE     NZ     HNZ1    120.000    3.000
 LYZ      HNZ2   NZ     HNZ1    120.000    3.000
 LYZ      CA     C      O       118.500    3.000
 LYZ      CA     C      OXT     118.500    3.000
 LYZ      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
 LYZ      var_1    HN2    N      CA     C        175.000   20.000   1
 LYZ      var_2    N      CA     CB     CG       -59.969   20.000   3
 LYZ      var_3    CA     CB     CG     CD       179.972   20.000   3
 LYZ      var_4    CB     CG     CD     CE       179.942   20.000   3
 LYZ      var_5    CG     CD     OH     HH        59.943   20.000   1
 LYZ      var_6    CG     CD     CE     NZ       179.981   20.000   3
 LYZ      var_7    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
 LYZ      chir_01  CA     N      C      CB        positiv
 LYZ      chir_02  CD     CG     CE     OH        positiv
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
 LYZ      plan-1    N         0.020
 LYZ      plan-1    CA        0.020
 LYZ      plan-1    HN1       0.020
 LYZ      plan-1    HN2       0.020
 LYZ      plan-2    C         0.020
 LYZ      plan-2    CA        0.020
 LYZ      plan-2    O         0.020
 LYZ      plan-2    OXT       0.020
 LYZ      plan-3    NZ        0.020
 LYZ      plan-3    CE        0.020
 LYZ      plan-3    HNZ1      0.020
 LYZ      plan-3    HNZ2      0.020
# ------------------------------------------------------
