(xtalinfo-
(-spacegroup 001 Triclinic: P1)
(-unitcell 100,100,100,90,90,90)
 (-switchYZ -1)
(-currentview 2)
(-data PDB)
(-sourcefile c:\origami\data\1pyi.pdb)
(-1pyi.pdb)
)
(view-
 (-n 0)
 (-name current)
(atominfo-
 (-selected |.FE2.A.193|.HOH.A.194|ASP.A.156|HIS.A.160|HIS.A.26|HIS.A.73|)
 (-pt .FE2.A.193_FE)
 (-center 1,.FE2.A.193_FE)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 250)
)
(viewoptions-
 (-scale 1200)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles -105.223406190004, 74.0546748648523, 24.9084026687935)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.FE2.A.193_FE  .HOH.A.194_O ASP.A.156_OD2 HIS.A.160_NE2 HIS.A.26_NE2 HIS.A.73_NE2)
(define ElementNames [ (Fe) (O) (O) (N) (N) (N) ] )
(shape trigonal bipyramidal)
(distance .FE2.A.193_FE-ASP.A.156_OD2 195.178)
(distance .FE2.A.193_FE-.HOH.A.194_O 202.662)
(distance .FE2.A.193_FE-HIS.A.73_NE2 206.248)
(distance .FE2.A.193_FE-HIS.A.160_NE2 212.784)
(distance .FE2.A.193_FE-HIS.A.26_NE2 218.558)
(angle HIS.A.26_NE2-.FE2.A.193_FE-ASP.A.156_OD2 84.920)
(angle HIS.A.73_NE2-.FE2.A.193_FE-.HOH.A.194_O 87.175)
(angle ASP.A.156_OD2-.FE2.A.193_FE-.HOH.A.194_O 88.991)
(angle HIS.A.160_NE2-.FE2.A.193_FE-.HOH.A.194_O 90.027)
(angle HIS.A.26_NE2-.FE2.A.193_FE-HIS.A.160_NE2 92.994)
(angle HIS.A.73_NE2-.FE2.A.193_FE-HIS.A.26_NE2 95.215)
(angle HIS.A.73_NE2-.FE2.A.193_FE-ASP.A.156_OD2 111.391)
(angle HIS.A.160_NE2-.FE2.A.193_FE-ASP.A.156_OD2 121.565)
(angle HIS.A.73_NE2-.FE2.A.193_FE-HIS.A.160_NE2 126.904)
(angle HIS.A.26_NE2-.FE2.A.193_FE-.HOH.A.194_O 173.908)
)
 (-dotted -1)
 (-model (bac) 0 
  T (abe) 1 
    F 
    F 
    F 
  T (eca) 2 
    F 
    F 
    F 
  T (cdb) 3 
    T (dce) 1 
      F 
      F 
      F 
    T (ebd) 2 
      F 
      F 
      F 
    F )
 (-view 
(scale 150)
(offsetx -0.73)
(offsety 0.15)
(rotation 30)
)
 (-labels (title Molecular Origami of c:\origami\data\1isa.pdb))
)
)

(view- 
 (-n 1)
 (-name Zn 21 w/ 500 pm)
(atominfo-
 (-selected |.ZN.C.21|.ZN.C.22|ARG.A.36|CYS.A.34|CYS.A.37|CYS.A.44|CYS.A.51|CYS.A.54|CYS.A.61|SER.A.50|VAL.A.62|)
 (-pt .ZN.C.21_ZN)
 (-center 1,.ZN.C.21_ZN)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 251)
)
(viewoptions-
 (-scale 2027)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles -96.142582885594, 55.2983429872974, -16.8077959317762)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.ZN.C.21_ZN  CYS.A.34_SG CYS.A.51_SG CYS.A.54_SG CYS.A.61_SG)
(define ElementNames [ (Zn) (S) (S) (S) (S) ] )
(shape tetrahedral)
(distance .ZN.C.21_ZN-CYS.A.61_SG 221.562)
(distance .ZN.C.21_ZN-CYS.A.54_SG 227.003)
(distance .ZN.C.21_ZN-CYS.A.34_SG 228.710)
(distance .ZN.C.21_ZN-CYS.A.51_SG 242.954)
(angle CYS.A.51_SG-.ZN.C.21_ZN-CYS.A.34_SG 99.726)
(angle CYS.A.61_SG-.ZN.C.21_ZN-CYS.A.51_SG 100.859)
(angle CYS.A.54_SG-.ZN.C.21_ZN-CYS.A.34_SG 102.263)
(angle CYS.A.54_SG-.ZN.C.21_ZN-CYS.A.51_SG 115.821)
(angle CYS.A.61_SG-.ZN.C.21_ZN-CYS.A.54_SG 118.167)
(angle CYS.A.61_SG-.ZN.C.21_ZN-CYS.A.34_SG 119.117)
)
)
)

(view- 
 (-n 2)
 (-name Zn 321C w/ 500 pm)
(atominfo-
 (-selected |.ZN.C.321|.ZN.C.322|ARG.B.36|CYS.B.34|CYS.B.37|CYS.B.44|CYS.B.51|CYS.B.54|CYS.B.61|SER.B.50|)
 (-pt .ZN.C.321_ZN)
 (-center 1,.ZN.C.321_ZN)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 251)
)
(viewoptions-
 (-scale 2027)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles 89.0407465163358, 66.7587178300798, -172.73653049925)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.ZN.C.321_ZN  CYS.B.34_SG CYS.B.51_SG CYS.B.54_SG CYS.B.61_SG)
(define ElementNames [ (Zn) (S) (S) (S) (S) ] )
(shape tetrahedral)
(distance .ZN.C.321_ZN-CYS.B.54_SG 224.887)
(distance .ZN.C.321_ZN-CYS.B.61_SG 227.487)
(distance .ZN.C.321_ZN-CYS.B.51_SG 233.000)
(distance .ZN.C.321_ZN-CYS.B.34_SG 236.915)
(angle CYS.B.54_SG-.ZN.C.321_ZN-CYS.B.34_SG 96.070)
(angle CYS.B.51_SG-.ZN.C.321_ZN-CYS.B.34_SG 98.474)
(angle CYS.B.54_SG-.ZN.C.321_ZN-CYS.B.51_SG 99.549)
(angle CYS.B.61_SG-.ZN.C.321_ZN-CYS.B.34_SG 115.477)
(angle CYS.B.61_SG-.ZN.C.321_ZN-CYS.B.51_SG 116.054)
(angle CYS.B.61_SG-.ZN.C.321_ZN-CYS.B.54_SG 126.194)
)
)
)