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
HYP      HYP '4-HYDROXYPROLINE                    ' P-peptide          17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HYP
#
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
 HYP           OXT    O    OC       -0.500      0.000    0.000    0.000
 HYP           C      C    C         0.000     -1.185    0.353   -0.191
 HYP           O      O    OC       -0.500     -1.449    1.208   -1.066
 HYP           CA     C    CH1       0.000     -2.294   -0.251    0.632
 HYP           HA     H    H         0.000     -1.971   -0.379    1.675
 HYP           CB     C    CH2       0.000     -2.732   -1.604    0.033
 HYP           HB2    H    H         0.000     -2.272   -2.444    0.558
 HYP           HB3    H    H         0.000     -2.496   -1.668   -1.031
 HYP           CG     C    CH1       0.000     -4.262   -1.650    0.226
 HYP           HG     H    H         0.000     -4.768   -1.718   -0.747
 HYP           OD1    O    OH1       0.000     -4.625   -2.759    1.052
 HYP           HD1    H    H         0.000     -5.585   -2.775    1.165
 HYP           CD     C    CH2       0.000     -4.619   -0.322    0.925
 HYP           HD22   H    H         0.000     -4.664   -0.433    2.010
 HYP           HD23   H    H         0.000     -5.564    0.087    0.563
 HYP           N      N    NH1       0.000     -3.510    0.600    0.566
 HYP           H      H    H         0.000     -3.569    1.580    0.331
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
 HYP      OXT    n/a    C      START
 HYP      C      OXT    CA     .
 HYP      O      C      .      .
 HYP      CA     C      CB     .
 HYP      HA     CA     .      .
 HYP      CB     CA     CG     .
 HYP      HB2    CB     .      .
 HYP      HB3    CB     .      .
 HYP      CG     CB     CD     .
 HYP      HG     CG     .      .
 HYP      OD1    CG     HD1    .
 HYP      HD1    OD1    .      .
 HYP      CD     CG     N      .
 HYP      HD22   CD     .      .
 HYP      HD23   CD     .      .
 HYP      N      CD     H      .
 HYP      H      N      .      END
 HYP      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
 HYP      N      CA        single      1.450    0.020
 HYP      N      CD        single      1.450    0.020
 HYP      H      N         single      1.010    0.020
 HYP      CA     C         single      1.500    0.020
 HYP      CB     CA        single      1.524    0.020
 HYP      HA     CA        single      1.099    0.020
 HYP      O      C         deloc       1.250    0.020
 HYP      C      OXT       deloc       1.250    0.020
 HYP      CG     CB        single      1.524    0.020
 HYP      HB2    CB        single      1.092    0.020
 HYP      HB3    CB        single      1.092    0.020
 HYP      CD     CG        single      1.524    0.020
 HYP      OD1    CG        single      1.432    0.020
 HYP      HG     CG        single      1.099    0.020
 HYP      HD22   CD        single      1.092    0.020
 HYP      HD23   CD        single      1.092    0.020
 HYP      HD1    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
 HYP      OXT    C      O       123.000    3.000
 HYP      OXT    C      CA      118.500    3.000
 HYP      O      C      CA      118.500    3.000
 HYP      C      CA     HA      108.810    3.000
 HYP      C      CA     CB      109.470    3.000
 HYP      C      CA     N       111.600    3.000
 HYP      HA     CA     CB      108.340    3.000
 HYP      HA     CA     N       108.550    3.000
 HYP      CB     CA     N       110.000    3.000
 HYP      CA     CB     HB2     109.470    3.000
 HYP      CA     CB     HB3     109.470    3.000
 HYP      CA     CB     CG      111.000    3.000
 HYP      HB2    CB     HB3     107.900    3.000
 HYP      HB2    CB     CG      109.470    3.000
 HYP      HB3    CB     CG      109.470    3.000
 HYP      CB     CG     HG      108.340    3.000
 HYP      CB     CG     OD1     109.470    3.000
 HYP      CB     CG     CD      109.470    3.000
 HYP      HG     CG     OD1     109.470    3.000
 HYP      HG     CG     CD      108.340    3.000
 HYP      OD1    CG     CD      109.470    3.000
 HYP      CG     OD1    HD1     109.470    3.000
 HYP      CG     CD     HD22    109.470    3.000
 HYP      CG     CD     HD23    109.470    3.000
 HYP      CG     CD     N       110.000    3.000
 HYP      HD22   CD     HD23    107.900    3.000
 HYP      HD22   CD     N       109.470    3.000
 HYP      HD23   CD     N       109.470    3.000
 HYP      CD     N      H       118.500    3.000
 HYP      CD     N      CA      120.000    3.000
 HYP      H      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
 HYP      var_1    OXT    C      CA     CB       -83.371   20.000   3
 HYP      var_2    C      CA     CB     CG      -150.000   20.000   3
 HYP      var_3    CA     CB     CG     CD         0.000   20.000   3
 HYP      var_4    CB     CG     OD1    HD1      179.983   20.000   1
 HYP      var_5    CB     CG     CD     N         30.000   20.000   3
 HYP      var_6    CG     CD     N      CA       -30.000   20.000   3
 HYP      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
 HYP      chir_01  CA     N      C      CB        positiv
 HYP      chir_02  CG     CB     CD     OD1       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
 HYP      plan-1    N         0.020
 HYP      plan-1    CA        0.020
 HYP      plan-1    CD        0.020
 HYP      plan-1    H         0.020
 HYP      plan-2    C         0.020
 HYP      plan-2    CA        0.020
 HYP      plan-2    O         0.020
 HYP      plan-2    OXT       0.020
# ------------------------------------------------------
