(xtalinfo-
(-spacegroup 001 Triclinic: P1)
(-unitcell 100,100,100,90,90,90)
 (-switchYZ -1)
(-currentview 5)
(-data PDB)
(-sourcefile c:\origami\data\1aui.pdb)
(-1aui.pdb)
)
(view-
 (-n 1)
 (-name Calcium 500 w/ 500 pm)
(atominfo-
 (-selected |.CA..500|ASN.B.33|ASP.B.30|ASP.B.32|GLU.B.41|GLU.B.68|GLY.B.35|LEU.B.31|LEU.B.37|SER.B.34|SER.B.36|SER.B.38|)
 (-pt .CA..500_CA)
 (-center 1,.CA..500_CA)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 250)
)
(viewoptions-
 (-scale 1200)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles 40.5888685784382, 121.669561248879, -42.5395265697)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.CA..500_CA  ASP.B.30_OD1 ASP.B.32_OD1 GLU.B.41_OE1 GLU.B.41_OE2 SER.B.34_OG SER.B.36_O)
(define ElementNames [ (Ca) (O) (O) (O) (O) (O) (O) ] )
(shape AX6?)
(distance .CA..500_CA-ASP.B.32_OD1 182.121)
(distance .CA..500_CA-GLU.B.41_OE2 229.237)
(distance .CA..500_CA-ASP.B.30_OD1 240.406)
(distance .CA..500_CA-GLU.B.41_OE1 244.354)
(distance .CA..500_CA-SER.B.36_O 245.590)
(distance .CA..500_CA-SER.B.34_OG 246.618)
(angle GLU.B.41_OE2-.CA..500_CA-GLU.B.41_OE1 54.642)
(angle SER.B.36_O-.CA..500_CA-SER.B.34_OG 73.088)
(angle GLU.B.41_OE1-.CA..500_CA-ASP.B.30_OD1 75.038)
(angle SER.B.34_OG-.CA..500_CA-ASP.B.32_OD1 79.335)
(angle GLU.B.41_OE2-.CA..500_CA-ASP.B.32_OD1 87.706)
(angle ASP.B.32_OD1-.CA..500_CA-ASP.B.30_OD1 87.982)
(angle SER.B.36_O-.CA..500_CA-ASP.B.30_OD1 88.672)
(angle SER.B.36_O-.CA..500_CA-GLU.B.41_OE1 89.967)
(angle SER.B.34_OG-.CA..500_CA-ASP.B.30_OD1 95.036)
(angle GLU.B.41_OE1-.CA..500_CA-ASP.B.32_OD1 116.067)
(angle SER.B.36_O-.CA..500_CA-GLU.B.41_OE2 117.805)
(angle GLU.B.41_OE2-.CA..500_CA-ASP.B.30_OD1 120.480)
(angle SER.B.34_OG-.CA..500_CA-GLU.B.41_OE2 141.783)
(angle SER.B.36_O-.CA..500_CA-ASP.B.32_OD1 151.804)
(angle SER.B.34_OG-.CA..500_CA-GLU.B.41_OE1 160.739)
)
)
)

(view-
 (-n 2)
 (-name Calcium 501 w/ 500 pm)
(atominfo-
 (-selected |.CA..501|.HOH..585|ASN.B.66|ASP.B.62|ASP.B.64|ASP.B.70|GLU.B.68|GLU.B.73|GLY.B.65|GLY.B.67|THR.B.63|VAL.B.69|)
 (-pt .CA..501_CA)
 (-center 1,.CA..501_CA)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 250)
)
(viewoptions-
 (-scale 1200)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles 40.5888685784382, 121.669561248878, -42.5395265697)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.CA..501_CA  .HOH..585_O ASN.B.66_OD1 ASP.B.64_OD1 GLU.B.68_O GLU.B.73_OE1 GLU.B.73_OE2)
(define ElementNames [ (Ca) (O) (O) (O) (O) (O) (O) ] )
(shape AX6?)
(distance .CA..501_CA-GLU.B.68_O 217.212)
(distance .CA..501_CA-ASN.B.66_OD1 223.968)
(distance .CA..501_CA-ASP.B.64_OD1 225.924)
(distance .CA..501_CA-.HOH..585_O 239.462)
(distance .CA..501_CA-GLU.B.73_OE1 242.617)
(distance .CA..501_CA-GLU.B.73_OE2 249.258)
(angle GLU.B.73_OE2-.CA..501_CA-GLU.B.73_OE1 52.441)
(angle GLU.B.73_OE2-.CA..501_CA-ASP.B.64_OD1 71.556)
(angle GLU.B.73_OE1-.CA..501_CA-GLU.B.68_O 75.935)
(angle ASN.B.66_OD1-.CA..501_CA-.HOH..585_O 79.474)
(angle ASP.B.64_OD1-.CA..501_CA-ASN.B.66_OD1 80.215)
(angle ASP.B.64_OD1-.CA..501_CA-.HOH..585_O 81.563)
(angle GLU.B.68_O-.CA..501_CA-ASN.B.66_OD1 83.455)
(angle GLU.B.73_OE1-.CA..501_CA-.HOH..585_O 86.772)
(angle GLU.B.73_OE2-.CA..501_CA-.HOH..585_O 87.993)
(angle GLU.B.68_O-.CA..501_CA-.HOH..585_O 106.081)
(angle GLU.B.73_OE1-.CA..501_CA-ASP.B.64_OD1 123.089)
(angle GLU.B.73_OE2-.CA..501_CA-GLU.B.68_O 125.844)
(angle GLU.B.73_OE2-.CA..501_CA-ASN.B.66_OD1 150.518)
(angle GLU.B.73_OE1-.CA..501_CA-ASN.B.66_OD1 150.978)
(angle GLU.B.68_O-.CA..501_CA-ASP.B.64_OD1 160.393)
)
)
)

(view-
 (-n 3)
 (-name Calcium 502 w/ 500 pm)
(atominfo-
 (-selected |.CA..502|.HOH..755|ASP.B.101|ASP.B.103|ASP.B.99|GLU.B.110|GLY.B.104|ILE.B.106|LYS.B.102|MET.B.100|SER.B.107|TYR.B.105|)
 (-pt .CA..502_CA)
 (-center 1,.CA..502_CA)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 250)
)
(viewoptions-
 (-scale 1200)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles 40.5888685784383, 121.669561248876, -42.5395265697)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.CA..502_CA  ASP.B.103_OD1 ASP.B.99_OD1 GLU.B.110_OE1 GLU.B.110_OE2 TYR.B.105_O)
(define ElementNames [ (Ca) (O) (O) (O) (O) (O) ] )
(shape AX5?)
(distance .CA..502_CA-GLU.B.110_OE2 207.703)
(distance .CA..502_CA-ASP.B.103_OD1 209.847)
(distance .CA..502_CA-TYR.B.105_O 218.173)
(distance .CA..502_CA-ASP.B.99_OD1 244.057)
(distance .CA..502_CA-GLU.B.110_OE1 248.824)
(angle GLU.B.110_OE2-.CA..502_CA-GLU.B.110_OE1 55.395)
(angle TYR.B.105_O-.CA..502_CA-ASP.B.103_OD1 73.518)
(angle TYR.B.105_O-.CA..502_CA-GLU.B.110_OE1 79.299)
(angle ASP.B.99_OD1-.CA..502_CA-ASP.B.103_OD1 79.779)
(angle TYR.B.105_O-.CA..502_CA-ASP.B.99_OD1 85.138)
(angle GLU.B.110_OE2-.CA..502_CA-ASP.B.99_OD1 98.136)
(angle GLU.B.110_OE1-.CA..502_CA-ASP.B.99_OD1 100.762)
(angle TYR.B.105_O-.CA..502_CA-GLU.B.110_OE2 134.485)
(angle GLU.B.110_OE2-.CA..502_CA-ASP.B.103_OD1 151.910)
(angle GLU.B.110_OE1-.CA..502_CA-ASP.B.103_OD1 152.687)
)
)
)

(view-
 (-n 4)
 (-name Calcium 503 w/ 500 pm)
(atominfo-
 (-selected |.CA..503|.HOH..622|.HOH..793|ARG.B.146|ASP.B.140|ASP.B.142|ASP.B.144|GLU.B.151|GLY.B.143|GLY.B.145|ILE.B.147|LYS.B.141|SER.B.148|)
 (-pt .CA..503_CA)
 (-center 1,.CA..503_CA)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 250)
)
(viewoptions-
 (-scale 1200)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles 40.5888685784383, 121.669561248874, -42.5395265697)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.CA..503_CA  ARG.B.146_O ASP.B.140_OD1 ASP.B.142_OD1 ASP.B.144_OD1 GLU.B.151_OE1)
(define ElementNames [ (Ca) (O) (O) (O) (O) (O) ] )
(shape AX5?)
(distance .CA..503_CA-ASP.B.142_OD1 166.125)
(distance .CA..503_CA-ARG.B.146_O 207.898)
(distance .CA..503_CA-ASP.B.144_OD1 226.951)
(distance .CA..503_CA-ASP.B.140_OD1 243.133)
(distance .CA..503_CA-GLU.B.151_OE1 245.881)
(angle ASP.B.144_OD1-.CA..503_CA-ARG.B.146_O 73.882)
(angle ASP.B.142_OD1-.CA..503_CA-ASP.B.140_OD1 80.105)
(angle ASP.B.144_OD1-.CA..503_CA-ASP.B.142_OD1 83.778)
(angle ASP.B.144_OD1-.CA..503_CA-ASP.B.140_OD1 85.211)
(angle GLU.B.151_OE1-.CA..503_CA-ARG.B.146_O 86.623)
(angle ASP.B.140_OD1-.CA..503_CA-ARG.B.146_O 99.555)
(angle GLU.B.151_OE1-.CA..503_CA-ASP.B.140_OD1 111.302)
(angle GLU.B.151_OE1-.CA..503_CA-ASP.B.142_OD1 114.587)
(angle GLU.B.151_OE1-.CA..503_CA-ASP.B.144_OD1 156.548)
(angle ASP.B.142_OD1-.CA..503_CA-ARG.B.146_O 157.578)
)
)
)

(view- 
 (-n 5)
 (-name Fe 505 w/ 300 pm)
(atominfo-
 (-selected |.FE..505|.HOH..634|.HOH..828|.HOH..850|ASP.A.118|ASP.A.90|HIS.A.92|)
 (-pt .FE..505_FE)
 (-center 1,.FE..505_FE)
 (-natoms 0)
)
(atomoptions-
 (-include all)
 (-maxdist 280)
)
(viewoptions-
 (-scale 2293)
 (-atomsize 50)
 (-envfactor 1)
 (-viewangles -72.925736129694, 72.2409795004122, -168.634015298726)
 (-showunitcell 0)
 (-showselectedonly 0)
 (-showbonds -1)
 (-showatoms -1)
 (-applysymmetry 0)
)
(modelinfo-
 (-havelibrarydata -1)
 (-structure 
(structure !.FE..505_FE  .HOH..634_O .HOH..828_O .HOH..850_O ASP.A.118_OD2 ASP.A.90_OD2 HIS.A.92_NE2)
(define ElementNames [ (Fe) (O) (O) (O) (O) (O) (N) ] )
(shape AX6?)
(distance .FE..505_FE-ASP.A.118_OD2 226.329)
(distance .FE..505_FE-ASP.A.90_OD2 230.552)
(distance .FE..505_FE-HIS.A.92_NE2 236.703)
(distance .FE..505_FE-.HOH..634_O 250.061)
(distance .FE..505_FE-.HOH..828_O 265.955)
(distance .FE..505_FE-.HOH..850_O 278.753)
(angle .HOH..850_O-.FE..505_FE-.HOH..828_O 61.348)
(angle .HOH..850_O-.FE..505_FE-.HOH..634_O 71.920)
(angle .HOH..828_O-.FE..505_FE-.HOH..634_O 72.433)
(angle HIS.A.92_NE2-.FE..505_FE-.HOH..850_O 78.162)
(angle ASP.A.90_OD2-.FE..505_FE-.HOH..634_O 83.575)
(angle HIS.A.92_NE2-.FE..505_FE-ASP.A.118_OD2 87.174)
(angle HIS.A.92_NE2-.FE..505_FE-.HOH..634_O 98.343)
(angle ASP.A.118_OD2-.FE..505_FE-.HOH..828_O 98.818)
(angle ASP.A.90_OD2-.FE..505_FE-ASP.A.118_OD2 101.794)
(angle ASP.A.118_OD2-.FE..505_FE-.HOH..850_O 102.608)
(angle HIS.A.92_NE2-.FE..505_FE-ASP.A.90_OD2 105.422)
(angle ASP.A.90_OD2-.FE..505_FE-.HOH..828_O 112.345)
(angle HIS.A.92_NE2-.FE..505_FE-.HOH..828_O 139.444)
(angle ASP.A.90_OD2-.FE..505_FE-.HOH..850_O 155.484)
(angle ASP.A.118_OD2-.FE..505_FE-.HOH..634_O 171.076)
)
)
)