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
KCX      KCX 'LYSINE NZ-CARBOXYLIC ACID           ' peptide            26  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_KCX
#
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
 KCX           N      N    NH2       0.000      0.000    0.000    0.000
 KCX           HN1    H    H         0.000      0.911   -0.063   -0.440
 KCX           HN2    H    H         0.000     -0.483    0.891    0.015
 KCX           CA     C    CH1       0.000     -0.615   -1.188    0.609
 KCX           HA     H    H         0.000     -0.708   -1.037    1.694
 KCX           CB     C    CH2       0.000     -2.002   -1.410    0.004
 KCX           HB2    H    H         0.000     -2.422   -2.342    0.389
 KCX           HB3    H    H         0.000     -1.919   -1.472   -1.083
 KCX           CG     C    CH2       0.000     -2.917   -0.243    0.382
 KCX           HG2    H    H         0.000     -2.495    0.688   -0.004
 KCX           HG3    H    H         0.000     -2.997   -0.182    1.469
 KCX           CD     C    CH2       0.000     -4.304   -0.465   -0.223
 KCX           HD2    H    H         0.000     -4.723   -1.397    0.163
 KCX           HD3    H    H         0.000     -4.220   -0.528   -1.310
 KCX           CE     C    CH2       0.000     -5.218    0.702    0.154
 KCX           HE2    H    H         0.000     -4.796    1.633   -0.232
 KCX           HE3    H    H         0.000     -5.298    0.764    1.242
 KCX           NZ     N    NH1       0.000     -6.547    0.489   -0.424
 KCX           HNZ    H    H         0.000     -6.732   -0.338   -0.974
 KCX           CX     C    C         0.000     -7.523    1.396   -0.222
 KCX           OQ2    O    OH1       0.000     -8.745    1.200   -0.754
 KCX           HQ2    H    H         0.000     -9.326    1.937   -0.517
 KCX           OQ1    O    O         0.000     -7.301    2.390    0.440
 KCX           C      C    C         0.000      0.249   -2.394    0.342
 KCX           O      O    OC       -0.500      1.079   -2.374   -0.594
 KCX           OXT    O    OC       -0.500      0.136   -3.415    1.055
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
 KCX      N      n/a    CA     START
 KCX      HN1    N      .      .
 KCX      HN2    N      .      .
 KCX      CA     N      C      .
 KCX      HA     CA     .      .
 KCX      CB     CA     CG     .
 KCX      HB2    CB     .      .
 KCX      HB3    CB     .      .
 KCX      CG     CB     CD     .
 KCX      HG2    CG     .      .
 KCX      HG3    CG     .      .
 KCX      CD     CG     CE     .
 KCX      HD2    CD     .      .
 KCX      HD3    CD     .      .
 KCX      CE     CD     NZ     .
 KCX      HE2    CE     .      .
 KCX      HE3    CE     .      .
 KCX      NZ     CE     CX     .
 KCX      HNZ    NZ     .      .
 KCX      CX     NZ     OQ1    .
 KCX      OQ2    CX     HQ2    .
 KCX      HQ2    OQ2    .      .
 KCX      OQ1    CX     .      .
 KCX      C      CA     .      END
 KCX      O      C      .      .
 KCX      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
 KCX      CA     N         single      1.450    0.020
 KCX      CB     CA        single      1.524    0.020
 KCX      C      CA        single      1.500    0.020
 KCX      HA     CA        single      1.099    0.020
 KCX      CG     CB        single      1.524    0.020
 KCX      HB2    CB        single      1.092    0.020
 KCX      HB3    CB        single      1.092    0.020
 KCX      CD     CG        single      1.524    0.020
 KCX      HG2    CG        single      1.092    0.020
 KCX      HG3    CG        single      1.092    0.020
 KCX      CE     CD        single      1.524    0.020
 KCX      HD2    CD        single      1.092    0.020
 KCX      HD3    CD        single      1.092    0.020
 KCX      NZ     CE        single      1.450    0.020
 KCX      HE2    CE        single      1.092    0.020
 KCX      HE3    CE        single      1.092    0.020
 KCX      CX     NZ        single      1.330    0.020
 KCX      O      C         deloc       1.250    0.020
 KCX      OXT    C         deloc       1.250    0.020
 KCX      OQ1    CX        double      1.220    0.020
 KCX      OQ2    CX        single      1.330    0.020
 KCX      HQ2    OQ2       single      0.967    0.020
 KCX      HN1    N         single      1.010    0.020
 KCX      HN2    N         single      1.010    0.020
 KCX      HNZ    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
 KCX      HN1    N      HN2     120.000    3.000
 KCX      HN1    N      CA      120.000    3.000
 KCX      HN2    N      CA      120.000    3.000
 KCX      N      CA     HA      109.470    3.000
 KCX      N      CA     CB      109.470    3.000
 KCX      N      CA     C       109.470    3.000
 KCX      HA     CA     CB      108.340    3.000
 KCX      HA     CA     C       108.810    3.000
 KCX      CB     CA     C       109.470    3.000
 KCX      CA     CB     HB2     109.470    3.000
 KCX      CA     CB     HB3     109.470    3.000
 KCX      CA     CB     CG      111.000    3.000
 KCX      HB2    CB     HB3     107.900    3.000
 KCX      HB2    CB     CG      109.470    3.000
 KCX      HB3    CB     CG      109.470    3.000
 KCX      CB     CG     HG2     109.470    3.000
 KCX      CB     CG     HG3     109.470    3.000
 KCX      CB     CG     CD      111.000    3.000
 KCX      HG2    CG     HG3     107.900    3.000
 KCX      HG2    CG     CD      109.470    3.000
 KCX      HG3    CG     CD      109.470    3.000
 KCX      CG     CD     HD2     109.470    3.000
 KCX      CG     CD     HD3     109.470    3.000
 KCX      CG     CD     CE      111.000    3.000
 KCX      HD2    CD     HD3     107.900    3.000
 KCX      HD2    CD     CE      109.470    3.000
 KCX      HD3    CD     CE      109.470    3.000
 KCX      CD     CE     HE2     109.470    3.000
 KCX      CD     CE     HE3     109.470    3.000
 KCX      CD     CE     NZ      112.000    3.000
 KCX      HE2    CE     HE3     107.900    3.000
 KCX      HE2    CE     NZ      109.470    3.000
 KCX      HE3    CE     NZ      109.470    3.000
 KCX      CE     NZ     HNZ     118.500    3.000
 KCX      CE     NZ     CX      121.500    3.000
 KCX      HNZ    NZ     CX      120.000    3.000
 KCX      NZ     CX     OQ2     120.000    3.000
 KCX      NZ     CX     OQ1     123.000    3.000
 KCX      OQ2    CX     OQ1     119.000    3.000
 KCX      CX     OQ2    HQ2     109.470    3.000
 KCX      CA     C      O       118.500    3.000
 KCX      CA     C      OXT     118.500    3.000
 KCX      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
 KCX      var_1    HN2    N      CA     C        175.000   20.000   1
 KCX      var_2    N      CA     CB     CG       -65.014   20.000   3
 KCX      var_3    CA     CB     CG     CD      -179.967   20.000   3
 KCX      var_4    CB     CG     CD     CE      -179.967   20.000   3
 KCX      var_5    CG     CD     CE     NZ      -179.965   20.000   3
 KCX      var_6    CD     CE     NZ     CX      -179.980   20.000   3
 KCX      CONST_1  CE     NZ     CX     OQ1        0.000    0.000   0
 KCX      var_7    NZ     CX     OQ2    HQ2      179.935   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
 KCX      chir_01  CA     N      CB     C         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
 KCX      plan-1    N         0.020
 KCX      plan-1    CA        0.020
 KCX      plan-1    HN1       0.020
 KCX      plan-1    HN2       0.020
 KCX      plan-2    NZ        0.020
 KCX      plan-2    CE        0.020
 KCX      plan-2    CX        0.020
 KCX      plan-2    HNZ       0.020
 KCX      plan-3    C         0.020
 KCX      plan-3    CA        0.020
 KCX      plan-3    O         0.020
 KCX      plan-3    OXT       0.020
 KCX      plan-4    CX        0.020
 KCX      plan-4    NZ        0.020
 KCX      plan-4    OQ1       0.020
 KCX      plan-4    OQ2       0.020
 KCX      plan-4    HNZ       0.020
# ------------------------------------------------------
