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
HZP      HZP '(4S)-4-hydroxy-L-proline            ' P-peptide          17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HZP
#
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
 HZP           O      O    OC       -0.500      0.000    0.000    0.000
 HZP           C      C    C         0.000     -0.707    0.537   -0.881
 HZP           OXT    O    OC       -0.500     -0.219    1.414   -1.628
 HZP           CA     C    CH1       0.000     -2.149    0.128   -1.044
 HZP           HA     H    H         0.000     -2.425    0.095   -2.107
 HZP           CB     C    CH2       0.000     -3.085    1.087   -0.265
 HZP           HB     H    H         0.000     -3.361    1.969   -0.847
 HZP           HBA    H    H         0.000     -2.662    1.402    0.691
 HZP           CG     C    CH1       0.000     -4.339    0.218   -0.016
 HZP           HG     H    H         0.000     -5.104    0.425   -0.777
 HZP           OD1    O    OH1       0.000     -4.860    0.464    1.293
 HZP           HOD1   H    H         0.000     -5.643   -0.085    1.435
 HZP           CD     C    CH2       0.000     -3.850   -1.238   -0.130
 HZP           HD     H    H         0.000     -4.355   -1.750   -0.951
 HZP           HDA    H    H         0.000     -4.031   -1.779    0.801
 HZP           N      N    NH1       0.000     -2.396   -1.187   -0.398
 HZP           HN     H    H         0.000     -1.712   -1.900   -0.185
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
 HZP      O      n/a    C      START
 HZP      C      O      CA     .
 HZP      OXT    C      .      .
 HZP      CA     C      CB     .
 HZP      HA     CA     .      .
 HZP      CB     CA     CG     .
 HZP      HB     CB     .      .
 HZP      HBA    CB     .      .
 HZP      CG     CB     CD     .
 HZP      HG     CG     .      .
 HZP      OD1    CG     HOD1   .
 HZP      HOD1   OD1    .      .
 HZP      CD     CG     N      .
 HZP      HD     CD     .      .
 HZP      HDA    CD     .      .
 HZP      N      CD     HN     .
 HZP      HN     N      .      END
 HZP      N      CA     .    ADD
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
 HZP      OXT    C         deloc       1.250    0.020
 HZP      N      CA        single      1.450    0.020
 HZP      N      CD        single      1.450    0.020
 HZP      HN     N         single      1.010    0.020
 HZP      CA     C         single      1.500    0.020
 HZP      CB     CA        single      1.524    0.020
 HZP      HA     CA        single      1.099    0.020
 HZP      C      O         deloc       1.250    0.020
 HZP      CG     CB        single      1.524    0.020
 HZP      HB     CB        single      1.092    0.020
 HZP      HBA    CB        single      1.092    0.020
 HZP      OD1    CG        single      1.432    0.020
 HZP      CD     CG        single      1.524    0.020
 HZP      HG     CG        single      1.099    0.020
 HZP      HD     CD        single      1.092    0.020
 HZP      HDA    CD        single      1.092    0.020
 HZP      HOD1   OD1       single      0.967    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
 HZP      O      C      OXT     123.000    3.000
 HZP      O      C      CA      118.500    3.000
 HZP      OXT    C      CA      118.500    3.000
 HZP      C      CA     HA      108.810    3.000
 HZP      C      CA     CB      109.470    3.000
 HZP      C      CA     N       111.600    3.000
 HZP      HA     CA     CB      108.340    3.000
 HZP      HA     CA     N       108.550    3.000
 HZP      CB     CA     N       110.000    3.000
 HZP      CA     CB     HB      109.470    3.000
 HZP      CA     CB     HBA     109.470    3.000
 HZP      CA     CB     CG      111.000    3.000
 HZP      HB     CB     HBA     107.900    3.000
 HZP      HB     CB     CG      109.470    3.000
 HZP      HBA    CB     CG      109.470    3.000
 HZP      CB     CG     HG      108.340    3.000
 HZP      CB     CG     OD1     109.470    3.000
 HZP      CB     CG     CD      109.470    3.000
 HZP      HG     CG     OD1     109.470    3.000
 HZP      HG     CG     CD      108.340    3.000
 HZP      OD1    CG     CD      109.470    3.000
 HZP      CG     OD1    HOD1    109.470    3.000
 HZP      CG     CD     HD      109.470    3.000
 HZP      CG     CD     HDA     109.470    3.000
 HZP      CG     CD     N       110.000    3.000
 HZP      HD     CD     HDA     107.900    3.000
 HZP      HD     CD     N       109.470    3.000
 HZP      HDA    CD     N       109.470    3.000
 HZP      CD     N      HN      118.500    3.000
 HZP      CD     N      CA      120.000    3.000
 HZP      HN     N      CA      118.500    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
 HZP      var_1    O      C      CA     CB        95.386   20.000   3
 HZP      var_2    C      CA     CB     CG      -150.000   20.000   3
 HZP      var_3    CA     CB     CG     CD        30.000   20.000   3
 HZP      var_4    CB     CG     OD1    HOD1    -179.994   20.000   1
 HZP      var_5    CB     CG     CD     N          0.000   20.000   3
 HZP      var_6    CG     CD     N      CA       -30.000   20.000   3
 HZP      var_7    CD     N      CA     C        150.000   20.000   3
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
 HZP      chir_01  CA     N      C      CB        positiv
 HZP      chir_02  CG     CB     CD     OD1       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
 HZP      plan-1    N         0.020
 HZP      plan-1    CA        0.020
 HZP      plan-1    CD        0.020
 HZP      plan-1    HN        0.020
 HZP      plan-2    C         0.020
 HZP      plan-2    OXT       0.020
 HZP      plan-2    CA        0.020
 HZP      plan-2    O         0.020
# ------------------------------------------------------
