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
PL5      PL5 '"(2S,6S)-2-amino-6-{[(1E)-{3-hydroxy' non-polymer        46  28 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PL5
#
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
 PL5           O      O    OC       -0.500      0.000    0.000    0.000
 PL5           C      C    C         0.000     -0.528   -0.692    0.899
 PL5           OXT    O    OC       -0.500      0.188   -1.372    1.667
 PL5           CA     C    CH1       0.000     -2.027   -0.707    1.055
 PL5           HA     H    H         0.000     -2.499   -0.725    0.063
 PL5           N      N    NH2       0.000     -2.428   -1.903    1.809
 PL5           HNA    H    H         0.000     -3.050   -2.586    1.392
 PL5           HN     H    H         0.000     -2.085   -2.053    2.751
 PL5           CB     C    CH2       0.000     -2.474    0.545    1.811
 PL5           HB     H    H         0.000     -2.097    1.433    1.298
 PL5           HBB    H    H         0.000     -2.075    0.517    2.827
 PL5           CAM    C    CH2       0.000     -4.001    0.593    1.862
 PL5           HAM    H    H         0.000     -4.376   -0.295    2.374
 PL5           HAMA   H    H         0.000     -4.398    0.620    0.844
 PL5           CAO    C    CH2       0.000     -4.448    1.846    2.617
 PL5           HAO    H    H         0.000     -4.071    2.733    2.104
 PL5           HAOA   H    H         0.000     -4.050    1.818    3.634
 PL5           CBA    C    CH1       0.000     -5.976    1.894    2.667
 PL5           HBA    H    H         0.000     -6.358    0.960    3.104
 PL5           CAU    C    C         0.000     -6.415    3.061    3.515
 PL5           OAD    O    OC       -0.500     -6.071    3.125    4.716
 PL5           OAG    O    OC       -0.500     -7.124    3.964    3.018
 PL5           NAQ    N    N         0.000     -6.505    2.051    1.311
 PL5           CAK    C    C1        0.000     -7.294    1.154    0.815
 PL5           HAK    H    H         0.000     -7.561    0.291    1.401
 PL5           CAY    C    CR6       0.000     -7.827    1.311   -0.552
 PL5           CAX    C    CR6       0.000     -7.487    2.426   -1.335
 PL5           OAH    O    OH1       0.000     -6.658    3.386   -0.848
 PL5           HOAH   H    H         0.000     -7.180    4.063   -0.398
 PL5           CAV    C    CR6       0.000     -8.016    2.533   -2.614
 PL5           CAA    C    CH3       0.000     -7.667    3.724   -3.467
 PL5           HAAB   H    H         0.000     -6.698    4.069   -3.213
 PL5           HAAA   H    H         0.000     -7.685    3.445   -4.489
 PL5           HAA    H    H         0.000     -8.371    4.498   -3.300
 PL5           NAR    N    NRD6      0.000     -8.821    1.605   -3.090
 PL5           CAL    C    CR16      0.000     -9.160    0.542   -2.387
 PL5           HAL    H    H         0.000     -9.826   -0.193   -2.821
 PL5           CAW    C    CR6       0.000     -8.681    0.352   -1.107
 PL5           CAP    C    CH2       0.000     -9.078   -0.868   -0.316
 PL5           HAP    H    H         0.000     -9.592   -0.557    0.597
 PL5           HAPA   H    H         0.000     -8.184   -1.437   -0.053
 PL5           OAS    O    O2        0.000     -9.950   -1.683   -1.102
 PL5           PBB    P    P         0.000    -10.571   -3.070   -0.570
 PL5           OAI    O    OP       -0.666    -11.345   -3.737   -1.686
 PL5           OAJ    O    OP       -0.666    -11.498   -2.794    0.593
 PL5           OAE    O    OP       -0.666     -9.451   -3.982   -0.116
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
 PL5      O      n/a    C      START
 PL5      C      O      CA     .
 PL5      OXT    C      .      .
 PL5      CA     C      CB     .
 PL5      HA     CA     .      .
 PL5      N      CA     HN     .
 PL5      HNA    N      .      .
 PL5      HN     N      .      .
 PL5      CB     CA     CAM    .
 PL5      HB     CB     .      .
 PL5      HBB    CB     .      .
 PL5      CAM    CB     CAO    .
 PL5      HAM    CAM    .      .
 PL5      HAMA   CAM    .      .
 PL5      CAO    CAM    CBA    .
 PL5      HAO    CAO    .      .
 PL5      HAOA   CAO    .      .
 PL5      CBA    CAO    NAQ    .
 PL5      HBA    CBA    .      .
 PL5      CAU    CBA    OAG    .
 PL5      OAD    CAU    .      .
 PL5      OAG    CAU    .      .
 PL5      NAQ    CBA    CAK    .
 PL5      CAK    NAQ    CAY    .
 PL5      HAK    CAK    .      .
 PL5      CAY    CAK    CAW    .
 PL5      CAX    CAY    CAV    .
 PL5      OAH    CAX    HOAH   .
 PL5      HOAH   OAH    .      .
 PL5      CAV    CAX    NAR    .
 PL5      CAA    CAV    HAA    .
 PL5      HAAB   CAA    .      .
 PL5      HAAA   CAA    .      .
 PL5      HAA    CAA    .      .
 PL5      NAR    CAV    CAL    .
 PL5      CAL    NAR    HAL    .
 PL5      HAL    CAL    .      .
 PL5      CAW    CAY    CAP    .
 PL5      CAP    CAW    OAS    .
 PL5      HAP    CAP    .      .
 PL5      HAPA   CAP    .      .
 PL5      OAS    CAP    PBB    .
 PL5      PBB    OAS    OAE    .
 PL5      OAI    PBB    .      .
 PL5      OAJ    PBB    .      .
 PL5      OAE    PBB    .      END
 PL5      CAW    CAL    .    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
 PL5      OAI    PBB       deloc       1.510    0.020
 PL5      OAE    PBB       deloc       1.510    0.020
 PL5      PBB    OAS       single      1.610    0.020
 PL5      OAJ    PBB       deloc       1.510    0.020
 PL5      OAS    CAP       single      1.426    0.020
 PL5      CAP    CAW       single      1.511    0.020
 PL5      HAP    CAP       single      1.092    0.020
 PL5      HAPA   CAP       single      1.092    0.020
 PL5      CAW    CAL       double      1.390    0.020
 PL5      CAW    CAY       single      1.487    0.020
 PL5      CAL    NAR       single      1.337    0.020
 PL5      HAL    CAL       single      1.083    0.020
 PL5      NAR    CAV       double      1.350    0.020
 PL5      CAA    CAV       single      1.506    0.020
 PL5      CAV    CAX       single      1.487    0.020
 PL5      HAA    CAA       single      1.059    0.020
 PL5      HAAA   CAA       single      1.059    0.020
 PL5      HAAB   CAA       single      1.059    0.020
 PL5      CAX    CAY       double      1.487    0.020
 PL5      OAH    CAX       single      1.362    0.020
 PL5      HOAH   OAH       single      0.967    0.020
 PL5      CAY    CAK       single      1.480    0.020
 PL5      CAK    NAQ       double      1.260    0.020
 PL5      HAK    CAK       single      1.077    0.020
 PL5      NAQ    CBA       single      1.455    0.020
 PL5      CBA    CAO       single      1.524    0.020
 PL5      CAU    CBA       single      1.500    0.020
 PL5      HBA    CBA       single      1.099    0.020
 PL5      OAG    CAU       deloc       1.250    0.020
 PL5      OAD    CAU       deloc       1.250    0.020
 PL5      CAO    CAM       single      1.524    0.020
 PL5      HAO    CAO       single      1.092    0.020
 PL5      HAOA   CAO       single      1.092    0.020
 PL5      CAM    CB        single      1.524    0.020
 PL5      HAM    CAM       single      1.092    0.020
 PL5      HAMA   CAM       single      1.092    0.020
 PL5      CB     CA        single      1.524    0.020
 PL5      HB     CB        single      1.092    0.020
 PL5      HBB    CB        single      1.092    0.020
 PL5      CA     C         single      1.500    0.020
 PL5      N      CA        single      1.450    0.020
 PL5      HA     CA        single      1.099    0.020
 PL5      OXT    C         deloc       1.250    0.020
 PL5      C      O         deloc       1.250    0.020
 PL5      HN     N         single      1.010    0.020
 PL5      HNA    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
 PL5      O      C      OXT     123.000    3.000
 PL5      O      C      CA      118.500    3.000
 PL5      OXT    C      CA      118.500    3.000
 PL5      C      CA     HA      108.810    3.000
 PL5      C      CA     N       109.470    3.000
 PL5      C      CA     CB      109.470    3.000
 PL5      HA     CA     N       109.470    3.000
 PL5      HA     CA     CB      108.340    3.000
 PL5      N      CA     CB      109.470    3.000
 PL5      CA     N      HNA     120.000    3.000
 PL5      CA     N      HN      120.000    3.000
 PL5      HNA    N      HN      120.000    3.000
 PL5      CA     CB     HB      109.470    3.000
 PL5      CA     CB     HBB     109.470    3.000
 PL5      CA     CB     CAM     111.000    3.000
 PL5      HB     CB     HBB     107.900    3.000
 PL5      HB     CB     CAM     109.470    3.000
 PL5      HBB    CB     CAM     109.470    3.000
 PL5      CB     CAM    HAM     109.470    3.000
 PL5      CB     CAM    HAMA    109.470    3.000
 PL5      CB     CAM    CAO     111.000    3.000
 PL5      HAM    CAM    HAMA    107.900    3.000
 PL5      HAM    CAM    CAO     109.470    3.000
 PL5      HAMA   CAM    CAO     109.470    3.000
 PL5      CAM    CAO    HAO     109.470    3.000
 PL5      CAM    CAO    HAOA    109.470    3.000
 PL5      CAM    CAO    CBA     111.000    3.000
 PL5      HAO    CAO    HAOA    107.900    3.000
 PL5      HAO    CAO    CBA     109.470    3.000
 PL5      HAOA   CAO    CBA     109.470    3.000
 PL5      CAO    CBA    HBA     108.340    3.000
 PL5      CAO    CBA    CAU     109.470    3.000
 PL5      CAO    CBA    NAQ     105.000    3.000
 PL5      HBA    CBA    CAU     108.810    3.000
 PL5      HBA    CBA    NAQ     109.470    3.000
 PL5      CAU    CBA    NAQ     111.600    3.000
 PL5      CBA    CAU    OAD     118.500    3.000
 PL5      CBA    CAU    OAG     118.500    3.000
 PL5      OAD    CAU    OAG     123.000    3.000
 PL5      CBA    NAQ    CAK     120.000    3.000
 PL5      NAQ    CAK    HAK     120.000    3.000
 PL5      NAQ    CAK    CAY     120.000    3.000
 PL5      HAK    CAK    CAY     120.000    3.000
 PL5      CAK    CAY    CAX     120.000    3.000
 PL5      CAK    CAY    CAW     120.000    3.000
 PL5      CAX    CAY    CAW     120.000    3.000
 PL5      CAY    CAX    OAH     120.000    3.000
 PL5      CAY    CAX    CAV     120.000    3.000
 PL5      OAH    CAX    CAV     120.000    3.000
 PL5      CAX    OAH    HOAH    109.470    3.000
 PL5      CAX    CAV    CAA     120.000    3.000
 PL5      CAX    CAV    NAR     120.000    3.000
 PL5      CAA    CAV    NAR     120.000    3.000
 PL5      CAV    CAA    HAAB    109.470    3.000
 PL5      CAV    CAA    HAAA    109.470    3.000
 PL5      CAV    CAA    HAA     109.470    3.000
 PL5      HAAB   CAA    HAAA    109.470    3.000
 PL5      HAAB   CAA    HAA     109.470    3.000
 PL5      HAAA   CAA    HAA     109.470    3.000
 PL5      CAV    NAR    CAL     120.000    3.000
 PL5      NAR    CAL    HAL     120.000    3.000
 PL5      NAR    CAL    CAW     120.000    3.000
 PL5      HAL    CAL    CAW     120.000    3.000
 PL5      CAY    CAW    CAP     120.000    3.000
 PL5      CAY    CAW    CAL     120.000    3.000
 PL5      CAP    CAW    CAL     120.000    3.000
 PL5      CAW    CAP    HAP     109.470    3.000
 PL5      CAW    CAP    HAPA    109.470    3.000
 PL5      CAW    CAP    OAS     109.470    3.000
 PL5      HAP    CAP    HAPA    107.900    3.000
 PL5      HAP    CAP    OAS     109.470    3.000
 PL5      HAPA   CAP    OAS     109.470    3.000
 PL5      CAP    OAS    PBB     120.500    3.000
 PL5      OAS    PBB    OAI     108.200    3.000
 PL5      OAS    PBB    OAJ     108.200    3.000
 PL5      OAS    PBB    OAE     108.200    3.000
 PL5      OAI    PBB    OAJ     119.900    3.000
 PL5      OAI    PBB    OAE     119.900    3.000
 PL5      OAJ    PBB    OAE     119.900    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
 PL5      var_1    O      C      CA     CB       -80.028   20.000   3
 PL5      var_2    C      CA     N      HN        60.020   20.000   1
 PL5      var_3    C      CA     CB     CAM      174.993   20.000   3
 PL5      var_4    CA     CB     CAM    CAO      180.000   20.000   3
 PL5      var_5    CB     CAM    CAO    CBA      179.994   20.000   3
 PL5      var_6    CAM    CAO    CBA    NAQ      -64.975   20.000   3
 PL5      var_7    CAO    CBA    CAU    OAG      120.028   20.000   3
 PL5      var_8    CAO    CBA    NAQ    CAK      119.989   20.000   3
 PL5      CONST_1  CBA    NAQ    CAK    CAY      179.987    0.000   0
 PL5      var_9    NAQ    CAK    CAY    CAW      179.993   20.000   1
 PL5      CONST_2  CAK    CAY    CAX    CAV      180.000    0.000   0
 PL5      var_10   CAY    CAX    OAH    HOAH     -89.791   20.000   1
 PL5      CONST_3  CAY    CAX    CAV    NAR        0.000    0.000   0
 PL5      var_11   CAX    CAV    CAA    HAA      -89.988   20.000   1
 PL5      CONST_4  CAX    CAV    NAR    CAL        0.000    0.000   0
 PL5      CONST_5  CAV    NAR    CAL    CAW        0.000    0.000   0
 PL5      CONST_6  CAK    CAY    CAW    CAP        0.000    0.000   0
 PL5      CONST_7  CAY    CAW    CAL    NAR        0.000    0.000   0
 PL5      var_12   CAY    CAW    CAP    OAS      179.995   20.000   2
 PL5      var_13   CAW    CAP    OAS    PBB     -179.981   20.000   1
 PL5      var_14   CAP    OAS    PBB    OAE      -55.014   20.000   1
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
 PL5      chir_01  CBA    NAQ    CAU    CAO       positiv
 PL5      chir_02  CA     CB     C      N         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
 PL5      plan-1    CAW       0.020
 PL5      plan-1    CAP       0.020
 PL5      plan-1    CAL       0.020
 PL5      plan-1    CAY       0.020
 PL5      plan-1    NAR       0.020
 PL5      plan-1    CAV       0.020
 PL5      plan-1    CAX       0.020
 PL5      plan-1    HAL       0.020
 PL5      plan-1    CAA       0.020
 PL5      plan-1    OAH       0.020
 PL5      plan-1    CAK       0.020
 PL5      plan-1    HAK       0.020
 PL5      plan-2    CAK       0.020
 PL5      plan-2    CAY       0.020
 PL5      plan-2    NAQ       0.020
 PL5      plan-2    HAK       0.020
 PL5      plan-2    CBA       0.020
 PL5      plan-3    CAU       0.020
 PL5      plan-3    CBA       0.020
 PL5      plan-3    OAG       0.020
 PL5      plan-3    OAD       0.020
 PL5      plan-4    C         0.020
 PL5      plan-4    CA        0.020
 PL5      plan-4    OXT       0.020
 PL5      plan-4    O         0.020
 PL5      plan-5    N         0.020
 PL5      plan-5    CA        0.020
 PL5      plan-5    HN        0.020
 PL5      plan-5    HNA       0.020
# ------------------------------------------------------
