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
H5M      H5M 'TRANS-3-HYDROXY-5-METHYLPROLINE     ' P-peptide          20  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_H5M
#
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
 H5M           OXT    O    OC       -0.500      0.000    0.000    0.000
 H5M           C      C    C         0.000     -0.859    0.247    0.875
 H5M           O      O    OC       -0.500     -0.604    1.063    1.789
 H5M           CA     C    CH1       0.000     -2.201   -0.435    0.828
 H5M           HA     H    H         0.000     -2.104   -1.450    0.419
 H5M           CB     C    CH1       0.000     -3.208    0.394   -0.004
 H5M           HB     H    H         0.000     -3.061    1.469    0.167
 H5M           OB     O    OH1       0.000     -3.096    0.085   -1.395
 H5M           HOB    H    H         0.000     -3.784    0.555   -1.885
 H5M           CG     C    CH2       0.000     -4.576   -0.066    0.549
 H5M           HG2    H    H         0.000     -5.018   -0.846   -0.074
 H5M           HG3    H    H         0.000     -5.274    0.769    0.635
 H5M           CD     C    CH1       0.000     -4.274   -0.632    1.947
 H5M           HD     H    H         0.000     -4.545   -1.696    1.987
 H5M           CD1    C    CH3       0.000     -5.059    0.144    3.006
 H5M           HD13   H    H         0.000     -4.785    1.167    2.971
 H5M           HD12   H    H         0.000     -6.097    0.051    2.816
 H5M           HD11   H    H         0.000     -4.840   -0.247    3.966
 H5M           N      N    NH1       0.000     -2.822   -0.474    2.179
 H5M           H      H    H         0.000     -2.351   -0.406    3.070
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
 H5M      OXT    n/a    C      START
 H5M      C      OXT    CA     .
 H5M      O      C      .      .
 H5M      CA     C      CB     .
 H5M      HA     CA     .      .
 H5M      CB     CA     CG     .
 H5M      HB     CB     .      .
 H5M      OB     CB     HOB    .
 H5M      HOB    OB     .      .
 H5M      CG     CB     CD     .
 H5M      HG2    CG     .      .
 H5M      HG3    CG     .      .
 H5M      CD     CG     N      .
 H5M      HD     CD     .      .
 H5M      CD1    CD     HD11   .
 H5M      HD13   CD1    .      .
 H5M      HD12   CD1    .      .
 H5M      HD11   CD1    .      .
 H5M      N      CD     H      .
 H5M      H      N      .      END
 H5M      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
 H5M      N      CA        single      1.450    0.020
 H5M      N      CD        single      1.450    0.020
 H5M      H      N         single      1.010    0.020
 H5M      CA     C         single      1.500    0.020
 H5M      CB     CA        single      1.524    0.020
 H5M      HA     CA        single      1.099    0.020
 H5M      O      C         deloc       1.250    0.020
 H5M      C      OXT       deloc       1.250    0.020
 H5M      CG     CB        single      1.524    0.020
 H5M      OB     CB        single      1.432    0.020
 H5M      HB     CB        single      1.099    0.020
 H5M      CD     CG        single      1.524    0.020
 H5M      HG2    CG        single      1.092    0.020
 H5M      HG3    CG        single      1.092    0.020
 H5M      CD1    CD        single      1.524    0.020
 H5M      HD     CD        single      1.099    0.020
 H5M      HOB    OB        single      0.967    0.020
 H5M      HD11   CD1       single      1.059    0.020
 H5M      HD12   CD1       single      1.059    0.020
 H5M      HD13   CD1       single      1.059    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
 H5M      OXT    C      O       123.000    3.000
 H5M      OXT    C      CA      118.500    3.000
 H5M      O      C      CA      118.500    3.000
 H5M      C      CA     HA      108.810    3.000
 H5M      C      CA     CB      109.470    3.000
 H5M      C      CA     N       111.600    3.000
 H5M      HA     CA     CB      108.340    3.000
 H5M      HA     CA     N       108.550    3.000
 H5M      CB     CA     N       110.000    3.000
 H5M      CA     CB     HB      108.340    3.000
 H5M      CA     CB     OB      109.470    3.000
 H5M      CA     CB     CG      111.000    3.000
 H5M      HB     CB     OB      109.470    3.000
 H5M      HB     CB     CG      108.340    3.000
 H5M      OB     CB     CG      109.470    3.000
 H5M      CB     OB     HOB     109.470    3.000
 H5M      CB     CG     HG2     109.470    3.000
 H5M      CB     CG     HG3     109.470    3.000
 H5M      CB     CG     CD      111.000    3.000
 H5M      HG2    CG     HG3     107.900    3.000
 H5M      HG2    CG     CD      109.470    3.000
 H5M      HG3    CG     CD      109.470    3.000
 H5M      CG     CD     HD      108.340    3.000
 H5M      CG     CD     CD1     111.000    3.000
 H5M      CG     CD     N       110.000    3.000
 H5M      HD     CD     CD1     108.340    3.000
 H5M      HD     CD     N       108.550    3.000
 H5M      CD1    CD     N       110.000    3.000
 H5M      CD     CD1    HD13    109.470    3.000
 H5M      CD     CD1    HD12    109.470    3.000
 H5M      CD     CD1    HD11    109.470    3.000
 H5M      HD13   CD1    HD12    109.470    3.000
 H5M      HD13   CD1    HD11    109.470    3.000
 H5M      HD12   CD1    HD11    109.470    3.000
 H5M      CD     N      H       118.500    3.000
 H5M      CD     N      CA      120.000    3.000
 H5M      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
 H5M      var_1    OXT    C      CA     CB       -89.906   20.000   3
 H5M      var_2    C      CA     CB     CG      -150.000   20.000   3
 H5M      var_3    CA     CB     OB     HOB      175.077   20.000   1
 H5M      var_4    CA     CB     CG     CD        30.000   20.000   3
 H5M      var_5    CB     CG     CD     N          0.000   20.000   3
 H5M      var_6    CG     CD     CD1    HD11    -179.562   20.000   3
 H5M      var_7    CG     CD     N      CA       -30.000   20.000   3
 H5M      var_8    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
 H5M      chir_01  CA     N      C      CB        positiv
 H5M      chir_02  CB     CA     CG     OB        positiv
 H5M      chir_03  CD     N      CG     CD1       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
 H5M      plan-1    N         0.020
 H5M      plan-1    CA        0.020
 H5M      plan-1    CD        0.020
 H5M      plan-1    H         0.020
 H5M      plan-2    C         0.020
 H5M      plan-2    CA        0.020
 H5M      plan-2    O         0.020
 H5M      plan-2    OXT       0.020
# ------------------------------------------------------
