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
AGM      AGM '5-METHYL-ARGININE                   ' peptide            29  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AGM
#
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
 AGM           N      N    NH2       0.000      0.000    0.000    0.000
 AGM           HN1    H    H         0.000      0.815   -0.362   -0.481
 AGM           HN2    H    H         0.000     -0.114    1.002    0.098
 AGM           CA     C    CH1       0.000     -1.006   -0.918    0.550
 AGM           HA     H    H         0.000     -1.021   -0.832    1.645
 AGM           CB     C    CH2       0.000     -2.384   -0.560   -0.009
 AGM           HB2    H    H         0.000     -3.116   -1.297    0.327
 AGM           HB3    H    H         0.000     -2.345   -0.560   -1.101
 AGM           CG     C    CH2       0.000     -2.790    0.829    0.488
 AGM           HG2    H    H         0.000     -2.057    1.565    0.152
 AGM           HG3    H    H         0.000     -2.828    0.827    1.580
 AGM           CD     C    CH1       0.000     -4.168    1.187   -0.071
 AGM           HD     H    H         0.000     -4.153    1.101   -1.166
 AGM           CE2    C    CH3       0.000     -4.520    2.624    0.323
 AGM           HE23   H    H         0.000     -4.535    2.708    1.379
 AGM           HE22   H    H         0.000     -3.796    3.288   -0.073
 AGM           HE21   H    H         0.000     -5.475    2.873   -0.063
 AGM           NE1    N    NH1       0.000     -5.171    0.271    0.477
 AGM           HNE1   H    H         0.000     -5.006   -0.188    1.362
 AGM           CZ     C    C         0.000     -6.330    0.037   -0.210
 AGM           NH2    N    NH2       1.000     -7.243   -0.798    0.288
 AGM           HH22   H    H         0.000     -7.078   -1.257    1.172
 AGM           HH21   H    H         0.000     -8.099   -0.971   -0.220
 AGM           NH1    N    NH2       0.000     -6.548    0.641   -1.376
 AGM           HH12   H    H         0.000     -5.857    1.273   -1.754
 AGM           HH11   H    H         0.000     -7.404    0.467   -1.883
 AGM           C      C    C         0.000     -0.658   -2.333    0.161
 AGM           O      O    OC       -0.500      0.106   -2.547   -0.806
 AGM           OXT    O    OC       -0.500     -1.136   -3.293    0.806
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
 AGM      N      n/a    CA     START
 AGM      HN1    N      .      .
 AGM      HN2    N      .      .
 AGM      CA     N      C      .
 AGM      HA     CA     .      .
 AGM      CB     CA     CG     .
 AGM      HB2    CB     .      .
 AGM      HB3    CB     .      .
 AGM      CG     CB     CD     .
 AGM      HG2    CG     .      .
 AGM      HG3    CG     .      .
 AGM      CD     CG     NE1    .
 AGM      HD     CD     .      .
 AGM      CE2    CD     HE21   .
 AGM      HE23   CE2    .      .
 AGM      HE22   CE2    .      .
 AGM      HE21   CE2    .      .
 AGM      NE1    CD     CZ     .
 AGM      HNE1   NE1    .      .
 AGM      CZ     NE1    NH1    .
 AGM      NH2    CZ     HH21   .
 AGM      HH22   NH2    .      .
 AGM      HH21   NH2    .      .
 AGM      NH1    CZ     HH11   .
 AGM      HH12   NH1    .      .
 AGM      HH11   NH1    .      .
 AGM      C      CA     .      END
 AGM      O      C      .      .
 AGM      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
 AGM      CA     N         single      1.450    0.020
 AGM      CB     CA        single      1.524    0.020
 AGM      C      CA        single      1.500    0.020
 AGM      HA     CA        single      1.099    0.020
 AGM      CG     CB        single      1.524    0.020
 AGM      HB2    CB        single      1.092    0.020
 AGM      HB3    CB        single      1.092    0.020
 AGM      CD     CG        single      1.524    0.020
 AGM      HG2    CG        single      1.092    0.020
 AGM      HG3    CG        single      1.092    0.020
 AGM      CE2    CD        single      1.524    0.020
 AGM      NE1    CD        single      1.450    0.020
 AGM      HD     CD        single      1.099    0.020
 AGM      HE21   CE2       single      1.059    0.020
 AGM      HE22   CE2       single      1.059    0.020
 AGM      HE23   CE2       single      1.059    0.020
 AGM      CZ     NE1       single      1.330    0.020
 AGM      NH1    CZ        single      1.332    0.020
 AGM      NH2    CZ        double      1.332    0.020
 AGM      O      C         deloc       1.250    0.020
 AGM      OXT    C         deloc       1.250    0.020
 AGM      HN1    N         single      1.010    0.020
 AGM      HN2    N         single      1.010    0.020
 AGM      HNE1   NE1       single      1.010    0.020
 AGM      HH11   NH1       single      1.010    0.020
 AGM      HH12   NH1       single      1.010    0.020
 AGM      HH21   NH2       single      1.010    0.020
 AGM      HH22   NH2       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
 AGM      HN1    N      HN2     120.000    3.000
 AGM      HN1    N      CA      120.000    3.000
 AGM      HN2    N      CA      120.000    3.000
 AGM      N      CA     HA      109.470    3.000
 AGM      N      CA     CB      109.470    3.000
 AGM      N      CA     C       109.470    3.000
 AGM      HA     CA     CB      108.340    3.000
 AGM      HA     CA     C       108.810    3.000
 AGM      CB     CA     C       109.470    3.000
 AGM      CA     CB     HB2     109.470    3.000
 AGM      CA     CB     HB3     109.470    3.000
 AGM      CA     CB     CG      111.000    3.000
 AGM      HB2    CB     HB3     107.900    3.000
 AGM      HB2    CB     CG      109.470    3.000
 AGM      HB3    CB     CG      109.470    3.000
 AGM      CB     CG     HG2     109.470    3.000
 AGM      CB     CG     HG3     109.470    3.000
 AGM      CB     CG     CD      111.000    3.000
 AGM      HG2    CG     HG3     107.900    3.000
 AGM      HG2    CG     CD      109.470    3.000
 AGM      HG3    CG     CD      109.470    3.000
 AGM      CG     CD     HD      108.340    3.000
 AGM      CG     CD     CE2     111.000    3.000
 AGM      CG     CD     NE1     110.000    3.000
 AGM      HD     CD     CE2     108.340    3.000
 AGM      HD     CD     NE1     108.550    3.000
 AGM      CE2    CD     NE1     110.000    3.000
 AGM      CD     CE2    HE23    109.470    3.000
 AGM      CD     CE2    HE22    109.470    3.000
 AGM      CD     CE2    HE21    109.470    3.000
 AGM      HE23   CE2    HE22    109.470    3.000
 AGM      HE23   CE2    HE21    109.470    3.000
 AGM      HE22   CE2    HE21    109.470    3.000
 AGM      CD     NE1    HNE1    118.500    3.000
 AGM      CD     NE1    CZ      121.500    3.000
 AGM      HNE1   NE1    CZ      120.000    3.000
 AGM      NE1    CZ     NH2     120.000    3.000
 AGM      NE1    CZ     NH1     120.000    3.000
 AGM      NH2    CZ     NH1     120.000    3.000
 AGM      CZ     NH2    HH22    120.000    3.000
 AGM      CZ     NH2    HH21    120.000    3.000
 AGM      HH22   NH2    HH21    120.000    3.000
 AGM      CZ     NH1    HH12    120.000    3.000
 AGM      CZ     NH1    HH11    120.000    3.000
 AGM      HH12   NH1    HH11    120.000    3.000
 AGM      CA     C      O       118.500    3.000
 AGM      CA     C      OXT     118.500    3.000
 AGM      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
 AGM      var_1    HN2    N      CA     C        175.000   20.000   1
 AGM      var_2    N      CA     CB     CG       -65.041   20.000   3
 AGM      var_3    CA     CB     CG     CD       180.000   20.000   3
 AGM      var_4    CB     CG     CD     NE1       65.009   20.000   3
 AGM      var_5    CG     CD     CE2    HE21    -179.973   20.000   3
 AGM      var_6    CG     CD     NE1    CZ      -155.026   20.000   3
 AGM      CONST_1  CD     NE1    CZ     NH1        0.000    0.000   0
 AGM      CONST_2  NE1    CZ     NH2    HH21     180.000    0.000   0
 AGM      CONST_3  NE1    CZ     NH1    HH11     180.000    0.000   0
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
 AGM      chir_01  CA     N      CB     C         negativ
 AGM      chir_02  CD     CG     CE2    NE1       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
 AGM      plan-1    N         0.020
 AGM      plan-1    CA        0.020
 AGM      plan-1    HN1       0.020
 AGM      plan-1    HN2       0.020
 AGM      plan-2    NE1       0.020
 AGM      plan-2    CD        0.020
 AGM      plan-2    CZ        0.020
 AGM      plan-2    HNE1      0.020
 AGM      plan-3    CZ        0.020
 AGM      plan-3    NE1       0.020
 AGM      plan-3    NH1       0.020
 AGM      plan-3    NH2       0.020
 AGM      plan-3    HH21      0.020
 AGM      plan-3    HH22      0.020
 AGM      plan-3    HNE1      0.020
 AGM      plan-3    HH12      0.020
 AGM      plan-3    HH11      0.020
 AGM      plan-4    NH1       0.020
 AGM      plan-4    CZ        0.020
 AGM      plan-4    HH11      0.020
 AGM      plan-4    HH12      0.020
 AGM      plan-5    C         0.020
 AGM      plan-5    CA        0.020
 AGM      plan-5    O         0.020
 AGM      plan-5    OXT       0.020
# ------------------------------------------------------
