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
PL4      PL4 '"(2S,6S)-2-amino-6-[({3-hydroxy-2-me' non-polymer        48  28 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PL4
#
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
 PL4           O      O    OC       -0.500      0.000    0.000    0.000
 PL4           C      C    C         0.000     -0.429    0.060    1.174
 PL4           OXT    O    OC       -0.500      0.374    0.140    2.129
 PL4           CA     C    CH1       0.000     -1.913    0.034    1.435
 PL4           HA     H    H         0.000     -2.392   -0.688    0.759
 PL4           N      N    NH2       0.000     -2.157   -0.363    2.829
 PL4           HNA    H    H         0.000     -2.595    0.282    3.475
 PL4           HN     H    H         0.000     -1.890   -1.286    3.152
 PL4           CB     C    CH2       0.000     -2.498    1.426    1.192
 PL4           HB     H    H         0.000     -2.238    1.757    0.184
 PL4           HBA    H    H         0.000     -2.086    2.126    1.922
 PL4           CAL    C    CH2       0.000     -4.021    1.372    1.336
 PL4           HAL    H    H         0.000     -4.279    1.039    2.343
 PL4           HALA   H    H         0.000     -4.430    0.671    0.606
 PL4           CAN    C    CH2       0.000     -4.606    2.765    1.092
 PL4           HAN    H    H         0.000     -4.346    3.097    0.084
 PL4           HANA   H    H         0.000     -4.194    3.465    1.822
 PL4           CBA    C    CH1       0.000     -6.128    2.710    1.236
 PL4           HBAA   H    H         0.000     -6.388    2.291    2.218
 PL4           CAU    C    C         0.000     -6.694    4.102    1.118
 PL4           OAD    O    OC       -0.500     -7.511    4.370    0.210
 PL4           OAG    O    OC       -0.500     -6.345    4.990    1.927
 PL4           NAR    N    NH1       0.000     -6.690    1.861    0.177
 PL4           HNAR   H    H         0.000     -6.245    1.686   -0.713
 PL4           CAO    C    CH2       0.000     -7.986    1.301    0.584
 PL4           HAO    H    H         0.000     -8.685    2.115    0.791
 PL4           HAOA   H    H         0.000     -7.855    0.698    1.485
 PL4           CAY    C    CR6       0.000     -8.531    0.439   -0.525
 PL4           CAX    C    CR6       0.000     -9.341    0.981   -1.518
 PL4           OAH    O    OH1       0.000     -9.655    2.303   -1.506
 PL4           HOAH   H    H         0.000    -10.466    2.436   -0.996
 PL4           CAV    C    CR6       0.000     -9.826    0.151   -2.519
 PL4           NAQ    N    NRD6      0.000     -9.524   -1.132   -2.535
 PL4           CAK    C    CR16      0.000     -8.755   -1.675   -1.612
 PL4           HAK    H    H         0.000     -8.529   -2.733   -1.660
 PL4           CAA    C    CH3       0.000    -10.709    0.724   -3.597
 PL4           HAAB   H    H         0.000    -10.453    1.738   -3.762
 PL4           HAAA   H    H         0.000    -10.573    0.176   -4.493
 PL4           HAA    H    H         0.000    -11.723    0.660   -3.295
 PL4           CAW    C    CR6       0.000     -8.233   -0.913   -0.584
 PL4           CAP    C    CH2       0.000     -7.356   -1.547    0.464
 PL4           HAP    H    H         0.000     -7.813   -1.419    1.447
 PL4           HAPA   H    H         0.000     -6.375   -1.067    0.455
 PL4           OAS    O    O2        0.000     -7.208   -2.940    0.184
 PL4           PBB    P    P         0.000     -6.332   -3.932    1.102
 PL4           OAI    O    OP       -0.666     -6.813   -3.849    2.535
 PL4           OAJ    O    OP       -0.666     -4.876   -3.527    1.035
 PL4           OAE    O    OP       -0.666     -6.485   -5.351    0.600
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
 PL4      O      n/a    C      START
 PL4      C      O      CA     .
 PL4      OXT    C      .      .
 PL4      CA     C      CB     .
 PL4      HA     CA     .      .
 PL4      N      CA     HN     .
 PL4      HNA    N      .      .
 PL4      HN     N      .      .
 PL4      CB     CA     CAL    .
 PL4      HB     CB     .      .
 PL4      HBA    CB     .      .
 PL4      CAL    CB     CAN    .
 PL4      HAL    CAL    .      .
 PL4      HALA   CAL    .      .
 PL4      CAN    CAL    CBA    .
 PL4      HAN    CAN    .      .
 PL4      HANA   CAN    .      .
 PL4      CBA    CAN    NAR    .
 PL4      HBAA   CBA    .      .
 PL4      CAU    CBA    OAG    .
 PL4      OAD    CAU    .      .
 PL4      OAG    CAU    .      .
 PL4      NAR    CBA    CAO    .
 PL4      HNAR   NAR    .      .
 PL4      CAO    NAR    CAY    .
 PL4      HAO    CAO    .      .
 PL4      HAOA   CAO    .      .
 PL4      CAY    CAO    CAW    .
 PL4      CAX    CAY    CAV    .
 PL4      OAH    CAX    HOAH   .
 PL4      HOAH   OAH    .      .
 PL4      CAV    CAX    CAA    .
 PL4      NAQ    CAV    CAK    .
 PL4      CAK    NAQ    HAK    .
 PL4      HAK    CAK    .      .
 PL4      CAA    CAV    HAA    .
 PL4      HAAB   CAA    .      .
 PL4      HAAA   CAA    .      .
 PL4      HAA    CAA    .      .
 PL4      CAW    CAY    CAP    .
 PL4      CAP    CAW    OAS    .
 PL4      HAP    CAP    .      .
 PL4      HAPA   CAP    .      .
 PL4      OAS    CAP    PBB    .
 PL4      PBB    OAS    OAE    .
 PL4      OAI    PBB    .      .
 PL4      OAJ    PBB    .      .
 PL4      OAE    PBB    .      END
 PL4      CAW    CAK    .    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
 PL4      CAL    CB        single      1.524    0.020
 PL4      CB     CA        single      1.524    0.020
 PL4      HB     CB        single      1.092    0.020
 PL4      HBA    CB        single      1.092    0.020
 PL4      CAA    CAV       single      1.506    0.020
 PL4      HAA    CAA       single      1.059    0.020
 PL4      HAAA   CAA       single      1.059    0.020
 PL4      HAAB   CAA       single      1.059    0.020
 PL4      CAU    CBA       single      1.500    0.020
 PL4      CBA    CAN       single      1.524    0.020
 PL4      NAR    CBA       single      1.450    0.020
 PL4      HBAA   CBA       single      1.099    0.020
 PL4      N      CA        single      1.450    0.020
 PL4      HN     N         single      1.010    0.020
 PL4      HNA    N         single      1.010    0.020
 PL4      OAI    PBB       deloc       1.510    0.020
 PL4      OAJ    PBB       deloc       1.510    0.020
 PL4      PBB    OAS       single      1.610    0.020
 PL4      OAE    PBB       deloc       1.510    0.020
 PL4      OAS    CAP       single      1.426    0.020
 PL4      CAP    CAW       single      1.511    0.020
 PL4      HAP    CAP       single      1.092    0.020
 PL4      HAPA   CAP       single      1.092    0.020
 PL4      CAW    CAY       double      1.487    0.020
 PL4      CAW    CAK       single      1.390    0.020
 PL4      CAK    NAQ       double      1.337    0.020
 PL4      HAK    CAK       single      1.083    0.020
 PL4      NAQ    CAV       single      1.350    0.020
 PL4      CAV    CAX       double      1.487    0.020
 PL4      OAH    CAX       single      1.362    0.020
 PL4      CAX    CAY       single      1.487    0.020
 PL4      HOAH   OAH       single      0.967    0.020
 PL4      CAY    CAO       single      1.511    0.020
 PL4      CAO    NAR       single      1.450    0.020
 PL4      HAO    CAO       single      1.092    0.020
 PL4      HAOA   CAO       single      1.092    0.020
 PL4      HNAR   NAR       single      1.010    0.020
 PL4      OAD    CAU       deloc       1.250    0.020
 PL4      OAG    CAU       deloc       1.250    0.020
 PL4      CAN    CAL       single      1.524    0.020
 PL4      HAN    CAN       single      1.092    0.020
 PL4      HANA   CAN       single      1.092    0.020
 PL4      HAL    CAL       single      1.092    0.020
 PL4      HALA   CAL       single      1.092    0.020
 PL4      CA     C         single      1.500    0.020
 PL4      HA     CA        single      1.099    0.020
 PL4      OXT    C         deloc       1.250    0.020
 PL4      C      O         deloc       1.250    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
 PL4      O      C      OXT     123.000    3.000
 PL4      O      C      CA      118.500    3.000
 PL4      OXT    C      CA      118.500    3.000
 PL4      C      CA     HA      108.810    3.000
 PL4      C      CA     N       109.470    3.000
 PL4      C      CA     CB      109.470    3.000
 PL4      HA     CA     N       109.470    3.000
 PL4      HA     CA     CB      108.340    3.000
 PL4      N      CA     CB      109.470    3.000
 PL4      CA     N      HNA     120.000    3.000
 PL4      CA     N      HN      120.000    3.000
 PL4      HNA    N      HN      120.000    3.000
 PL4      CA     CB     HB      109.470    3.000
 PL4      CA     CB     HBA     109.470    3.000
 PL4      CA     CB     CAL     111.000    3.000
 PL4      HB     CB     HBA     107.900    3.000
 PL4      HB     CB     CAL     109.470    3.000
 PL4      HBA    CB     CAL     109.470    3.000
 PL4      CB     CAL    HAL     109.470    3.000
 PL4      CB     CAL    HALA    109.470    3.000
 PL4      CB     CAL    CAN     111.000    3.000
 PL4      HAL    CAL    HALA    107.900    3.000
 PL4      HAL    CAL    CAN     109.470    3.000
 PL4      HALA   CAL    CAN     109.470    3.000
 PL4      CAL    CAN    HAN     109.470    3.000
 PL4      CAL    CAN    HANA    109.470    3.000
 PL4      CAL    CAN    CBA     111.000    3.000
 PL4      HAN    CAN    HANA    107.900    3.000
 PL4      HAN    CAN    CBA     109.470    3.000
 PL4      HANA   CAN    CBA     109.470    3.000
 PL4      CAN    CBA    HBAA    108.340    3.000
 PL4      CAN    CBA    CAU     109.470    3.000
 PL4      CAN    CBA    NAR     110.000    3.000
 PL4      HBAA   CBA    CAU     108.810    3.000
 PL4      HBAA   CBA    NAR     108.550    3.000
 PL4      CAU    CBA    NAR     111.600    3.000
 PL4      CBA    CAU    OAD     118.500    3.000
 PL4      CBA    CAU    OAG     118.500    3.000
 PL4      OAD    CAU    OAG     123.000    3.000
 PL4      CBA    NAR    HNAR    118.500    3.000
 PL4      CBA    NAR    CAO     120.000    3.000
 PL4      HNAR   NAR    CAO     118.500    3.000
 PL4      NAR    CAO    HAO     109.470    3.000
 PL4      NAR    CAO    HAOA    109.470    3.000
 PL4      NAR    CAO    CAY     109.500    3.000
 PL4      HAO    CAO    HAOA    107.900    3.000
 PL4      HAO    CAO    CAY     109.470    3.000
 PL4      HAOA   CAO    CAY     109.470    3.000
 PL4      CAO    CAY    CAX     120.000    3.000
 PL4      CAO    CAY    CAW     120.000    3.000
 PL4      CAX    CAY    CAW     120.000    3.000
 PL4      CAY    CAX    OAH     120.000    3.000
 PL4      CAY    CAX    CAV     120.000    3.000
 PL4      OAH    CAX    CAV     120.000    3.000
 PL4      CAX    OAH    HOAH    109.470    3.000
 PL4      CAX    CAV    NAQ     120.000    3.000
 PL4      CAX    CAV    CAA     120.000    3.000
 PL4      NAQ    CAV    CAA     120.000    3.000
 PL4      CAV    NAQ    CAK     120.000    3.000
 PL4      NAQ    CAK    HAK     120.000    3.000
 PL4      NAQ    CAK    CAW     120.000    3.000
 PL4      HAK    CAK    CAW     120.000    3.000
 PL4      CAV    CAA    HAAB    109.470    3.000
 PL4      CAV    CAA    HAAA    109.470    3.000
 PL4      CAV    CAA    HAA     109.470    3.000
 PL4      HAAB   CAA    HAAA    109.470    3.000
 PL4      HAAB   CAA    HAA     109.470    3.000
 PL4      HAAA   CAA    HAA     109.470    3.000
 PL4      CAY    CAW    CAP     120.000    3.000
 PL4      CAY    CAW    CAK     120.000    3.000
 PL4      CAP    CAW    CAK     120.000    3.000
 PL4      CAW    CAP    HAP     109.470    3.000
 PL4      CAW    CAP    HAPA    109.470    3.000
 PL4      CAW    CAP    OAS     109.470    3.000
 PL4      HAP    CAP    HAPA    107.900    3.000
 PL4      HAP    CAP    OAS     109.470    3.000
 PL4      HAPA   CAP    OAS     109.470    3.000
 PL4      CAP    OAS    PBB     120.500    3.000
 PL4      OAS    PBB    OAI     108.200    3.000
 PL4      OAS    PBB    OAJ     108.200    3.000
 PL4      OAS    PBB    OAE     108.200    3.000
 PL4      OAI    PBB    OAJ     119.900    3.000
 PL4      OAI    PBB    OAE     119.900    3.000
 PL4      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
 PL4      var_1    O      C      CA     CB       -80.005   20.000   3
 PL4      var_2    C      CA     N      HN       -63.965   20.000   1
 PL4      var_3    C      CA     CB     CAL      174.996   20.000   3
 PL4      var_4    CA     CB     CAL    CAN      179.992   20.000   3
 PL4      var_5    CB     CAL    CAN    CBA     -179.992   20.000   3
 PL4      var_6    CAL    CAN    CBA    NAR      -65.020   20.000   3
 PL4      var_7    CAN    CBA    CAU    OAG      -59.991   20.000   3
 PL4      var_8    CAN    CBA    NAR    CAO      155.032   20.000   3
 PL4      var_9    CBA    NAR    CAO    CAY      179.996   20.000   3
 PL4      var_10   NAR    CAO    CAY    CAW       89.992   20.000   2
 PL4      CONST_1  CAO    CAY    CAX    CAV      180.000    0.000   0
 PL4      var_11   CAY    CAX    OAH    HOAH     -89.718   20.000   1
 PL4      CONST_2  CAY    CAX    CAV    CAA      180.000    0.000   0
 PL4      CONST_3  CAX    CAV    NAQ    CAK        0.000    0.000   0
 PL4      CONST_4  CAV    NAQ    CAK    CAW        0.000    0.000   0
 PL4      var_12   CAX    CAV    CAA    HAA      -90.000   20.000   1
 PL4      CONST_5  CAO    CAY    CAW    CAP        0.000    0.000   0
 PL4      CONST_6  CAY    CAW    CAK    NAQ        0.000    0.000   0
 PL4      var_13   CAY    CAW    CAP    OAS      179.722   20.000   2
 PL4      var_14   CAW    CAP    OAS    PBB     -179.981   20.000   1
 PL4      var_15   CAP    OAS    PBB    OAE      175.019   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
 PL4      chir_01  CBA    NAR    CAU    CAN       positiv
 PL4      chir_02  CA     CB     N      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
 PL4      plan-1    N         0.020
 PL4      plan-1    CA        0.020
 PL4      plan-1    HN        0.020
 PL4      plan-1    HNA       0.020
 PL4      plan-2    CAW       0.020
 PL4      plan-2    CAP       0.020
 PL4      plan-2    CAK       0.020
 PL4      plan-2    CAY       0.020
 PL4      plan-2    NAQ       0.020
 PL4      plan-2    CAV       0.020
 PL4      plan-2    CAX       0.020
 PL4      plan-2    HAK       0.020
 PL4      plan-2    CAA       0.020
 PL4      plan-2    OAH       0.020
 PL4      plan-2    CAO       0.020
 PL4      plan-3    NAR       0.020
 PL4      plan-3    CBA       0.020
 PL4      plan-3    CAO       0.020
 PL4      plan-3    HNAR      0.020
 PL4      plan-4    CAU       0.020
 PL4      plan-4    CBA       0.020
 PL4      plan-4    OAG       0.020
 PL4      plan-4    OAD       0.020
 PL4      plan-5    C         0.020
 PL4      plan-5    CA        0.020
 PL4      plan-5    OXT       0.020
 PL4      plan-5    O         0.020
# ------------------------------------------------------
