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
GAM      GAM 'ALPHA-METHYL-L-GLUTAMIC ACID        ' non-polymer        20  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GAM
#
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
 GAM           OXT    O    OC       -0.500      0.000    0.000    0.000
 GAM           C      C    C         0.000     -0.963    0.348    0.719
 GAM           O      O    OC       -0.500     -0.756    0.776    1.876
 GAM           CA     C    CT        0.000     -2.370    0.247    0.193
 GAM           CB2    C    CH3       0.000     -2.748    1.558   -0.502
 GAM           H23    H    H         0.000     -2.687    2.357    0.191
 GAM           H22    H    H         0.000     -2.082    1.738   -1.306
 GAM           H21    H    H         0.000     -3.738    1.490   -0.873
 GAM           N      N    NH2       0.000     -2.457   -0.858   -0.769
 GAM           HN2    H    H         0.000     -2.735   -0.678   -1.724
 GAM           HN1    H    H         0.000     -2.239   -1.801   -0.478
 GAM           CB1    C    CH2       0.000     -3.332   -0.009    1.353
 GAM           H11    H    H         0.000     -3.267    0.815    2.067
 GAM           H12    H    H         0.000     -3.061   -0.942    1.850
 GAM           CG     C    CH2       0.000     -4.762   -0.110    0.818
 GAM           HG1    H    H         0.000     -4.824   -0.933    0.103
 GAM           HG2    H    H         0.000     -5.031    0.824    0.321
 GAM           CD     C    C         0.000     -5.710   -0.363    1.961
 GAM           OE1    O    OC       -0.500     -6.936   -0.479    1.744
 GAM           OE2    O    OC       -0.500     -5.270   -0.457    3.128
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
 GAM      OXT    n/a    C      START
 GAM      C      OXT    CA     .
 GAM      O      C      .      .
 GAM      CA     C      CB1    .
 GAM      CB2    CA     H21    .
 GAM      H23    CB2    .      .
 GAM      H22    CB2    .      .
 GAM      H21    CB2    .      .
 GAM      N      CA     HN1    .
 GAM      HN2    N      .      .
 GAM      HN1    N      .      .
 GAM      CB1    CA     CG     .
 GAM      H11    CB1    .      .
 GAM      H12    CB1    .      .
 GAM      CG     CB1    CD     .
 GAM      HG1    CG     .      .
 GAM      HG2    CG     .      .
 GAM      CD     CG     OE2    .
 GAM      OE1    CD     .      .
 GAM      OE2    CD     .      END
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
 GAM      CB2    CA        single      1.524    0.020
 GAM      H21    CB2       single      1.059    0.020
 GAM      H22    CB2       single      1.059    0.020
 GAM      H23    CB2       single      1.059    0.020
 GAM      CG     CB1       single      1.524    0.020
 GAM      CB1    CA        single      1.524    0.020
 GAM      H11    CB1       single      1.092    0.020
 GAM      H12    CB1       single      1.092    0.020
 GAM      CD     CG        single      1.510    0.020
 GAM      HG1    CG        single      1.092    0.020
 GAM      HG2    CG        single      1.092    0.020
 GAM      OE1    CD        deloc       1.250    0.020
 GAM      OE2    CD        deloc       1.250    0.020
 GAM      O      C         deloc       1.250    0.020
 GAM      C      OXT       deloc       1.250    0.020
 GAM      CA     C         single      1.507    0.020
 GAM      N      CA        single      1.462    0.020
 GAM      HN1    N         single      1.010    0.020
 GAM      HN2    N         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
 GAM      OXT    C      O       123.000    3.000
 GAM      OXT    C      CA      118.500    3.000
 GAM      O      C      CA      118.500    3.000
 GAM      C      CA     CB2     109.470    3.000
 GAM      C      CA     N       109.500    3.000
 GAM      C      CA     CB1     109.470    3.000
 GAM      CB2    CA     N       109.500    3.000
 GAM      CB2    CA     CB1     111.000    3.000
 GAM      N      CA     CB1     109.500    3.000
 GAM      CA     CB2    H23     109.470    3.000
 GAM      CA     CB2    H22     109.470    3.000
 GAM      CA     CB2    H21     109.470    3.000
 GAM      H23    CB2    H22     109.470    3.000
 GAM      H23    CB2    H21     109.470    3.000
 GAM      H22    CB2    H21     109.470    3.000
 GAM      CA     N      HN2     120.000    3.000
 GAM      CA     N      HN1     120.000    3.000
 GAM      HN2    N      HN1     120.000    3.000
 GAM      CA     CB1    H11     109.470    3.000
 GAM      CA     CB1    H12     109.470    3.000
 GAM      CA     CB1    CG      111.000    3.000
 GAM      H11    CB1    H12     107.900    3.000
 GAM      H11    CB1    CG      109.470    3.000
 GAM      H12    CB1    CG      109.470    3.000
 GAM      CB1    CG     HG1     109.470    3.000
 GAM      CB1    CG     HG2     109.470    3.000
 GAM      CB1    CG     CD      109.470    3.000
 GAM      HG1    CG     HG2     107.900    3.000
 GAM      HG1    CG     CD      109.470    3.000
 GAM      HG2    CG     CD      109.470    3.000
 GAM      CG     CD     OE1     118.500    3.000
 GAM      CG     CD     OE2     118.500    3.000
 GAM      OE1    CD     OE2     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
 GAM      var_1    OXT    C      CA     CB1      150.008   20.000   1
 GAM      var_2    C      CA     CB2    H21      179.969   20.000   1
 GAM      var_3    C      CA     N      HN1       60.022   20.000   1
 GAM      var_4    C      CA     CB1    CG       179.980   20.000   1
 GAM      var_5    CA     CB1    CG     CD       179.967   20.000   3
 GAM      var_6    CB1    CG     CD     OE2       -0.036   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
 GAM      chir_01  CA     CB2    CB1    C         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
 GAM      plan-1    CD        0.020
 GAM      plan-1    CG        0.020
 GAM      plan-1    OE1       0.020
 GAM      plan-1    OE2       0.020
 GAM      plan-2    C         0.020
 GAM      plan-2    O         0.020
 GAM      plan-2    OXT       0.020
 GAM      plan-2    CA        0.020
 GAM      plan-3    N         0.020
 GAM      plan-3    CA        0.020
 GAM      plan-3    HN1       0.020
 GAM      plan-3    HN2       0.020
# ------------------------------------------------------
