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all_aminofb15.lib
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!!index array str
"ALA"
"ARG"
"ASH"
"ASN"
"ASP"
"CYM"
"CYS"
"CYX"
"GLH"
"GLN"
"GLU"
"GLY"
"HID"
"HIE"
"HIP"
"ILE"
"LEU"
"LYN"
"LYS"
"MET"
"PHE"
"PRO"
"SER"
"THR"
"TRP"
"TYR"
"VAL"
!entry.ALA.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 0.033700
"HA" "H1" 0 1 131072 4 1 0.082300
"CB" "CT" 0 1 131072 5 6 -0.182500
"HB1" "HC" 0 1 131072 6 1 0.060300
"HB2" "HC" 0 1 131072 7 1 0.060300
"HB3" "HC" 0 1 131072 8 1 0.060300
"C" "C" 0 1 131072 9 6 0.597300
"O" "O" 0 1 131072 10 8 -0.567900
!entry.ALA.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "CT" 0 -1 0.0
"HB1" "HC" 0 -1 0.0
"HB2" "HC" 0 -1 0.0
"HB3" "HC" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.ALA.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ALA.unit.childsequence single int
2
!entry.ALA.unit.connect array int
1
9
!entry.ALA.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 9 1
5 6 1
5 7 1
5 8 1
9 10 1
!entry.ALA.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
!entry.ALA.unit.name single str
"ALA"
!entry.ALA.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
3.87748 3.11579 2.1312
4.07506 4.62302 1.20579
2.497 3.80107 1.24138
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.ALA.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 9 0 0 0 0
!entry.ALA.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"ALA" 1 11 1 "p" 3
!entry.ALA.unit.residuesPdbSequenceNumber array int
0
!entry.ALA.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ALA.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.ARG.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.347900
"H" "H" 0 1 131072 2 1 0.274700
"CA" "CT" 0 1 131072 3 6 -0.263700
"HA" "H1" 0 1 131072 4 1 0.156000
"CB" "6R" 0 1 131072 5 6 -0.000700
"HB2" "HC" 0 1 131072 6 1 0.032700
"HB3" "HC" 0 1 131072 7 1 0.032700
"CG" "CT" 0 1 131072 8 6 0.039000
"HG2" "HC" 0 1 131072 9 1 0.028500
"HG3" "HC" 0 1 131072 10 1 0.028500
"CD" "CT" 0 1 131072 11 6 0.048600
"HD2" "H1" 0 1 131072 12 1 0.068700
"HD3" "H1" 0 1 131072 13 1 0.068700
"NE" "N2" 0 1 131072 14 7 -0.529500
"HE" "H" 0 1 131072 15 1 0.345600
"CZ" "CA" 0 1 131072 16 6 0.807600
"NH1" "N2" 0 1 131072 17 7 -0.862700
"HH11" "H" 0 1 131072 18 1 0.447800
"HH12" "H" 0 1 131072 19 1 0.447800
"NH2" "N2" 0 1 131072 20 7 -0.862700
"HH21" "H" 0 1 131072 21 1 0.447800
"HH22" "H" 0 1 131072 22 1 0.447800
"C" "C" 0 1 131072 23 6 0.734100
"O" "O" 0 1 131072 24 8 -0.589400
!entry.ARG.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6R" 0 -1 0.0
"HB2" "HC" 0 -1 0.0
"HB3" "HC" 0 -1 0.0
"CG" "CT" 0 -1 0.0
"HG2" "HC" 0 -1 0.0
"HG3" "HC" 0 -1 0.0
"CD" "CT" 0 -1 0.0
"HD2" "H1" 0 -1 0.0
"HD3" "H1" 0 -1 0.0
"NE" "N2" 0 -1 0.0
"HE" "H" 0 -1 0.0
"CZ" "CA" 0 -1 0.0
"NH1" "N2" 0 -1 0.0
"HH11" "H" 0 -1 0.0
"HH12" "H" 0 -1 0.0
"NH2" "N2" 0 -1 0.0
"HH21" "H" 0 -1 0.0
"HH22" "H" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.ARG.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ARG.unit.childsequence single int
2
!entry.ARG.unit.connect array int
1
23
!entry.ARG.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 23 1
5 6 1
5 7 1
5 8 1
8 9 1
8 10 1
8 11 1
11 12 1
11 13 1
11 14 1
14 15 1
14 16 1
16 17 1
16 20 1
17 18 1
17 19 1
20 21 1
20 22 1
23 24 1
!entry.ARG.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
"R" 1 "A" 14
"R" 1 "A" 15
"R" 1 "A" 16
"R" 1 "A" 17
"R" 1 "A" 18
"R" 1 "A" 19
"R" 1 "A" 20
"R" 1 "A" 21
"R" 1 "A" 22
"R" 1 "A" 23
"R" 1 "A" 24
!entry.ARG.unit.name single str
"ARG"
!entry.ARG.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.27419 5.0096 1.19458
5.35427 4.86318 1.18579
3.97378 5.54846 0.295972
3.8811 5.81764 2.42672
2.80113 5.96488 2.43596
4.18163 5.2796 3.32577
4.54032 7.14272 2.42448
5.15181 7.37549 1.65507
4.36428 8.04099 3.38938
3.57503 7.80761 4.43413
3.08895 6.92542 4.50885
3.46537 8.51363 5.148
5.00625 9.20129 3.28699
5.60485 9.37533 2.49233
4.89222 9.90305 4.00437
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.ARG.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 23 0 0 0 0
!entry.ARG.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"ARG" 1 25 1 "p" 8
!entry.ARG.unit.residuesPdbSequenceNumber array int
0
!entry.ARG.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ARG.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.ASH.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 0.034100
"HA" "H1" 0 1 131072 4 1 0.086400
"CB" "6d" 0 1 131072 5 6 -0.031600
"HB2" "HC" 0 1 131072 6 1 0.048800
"HB3" "HC" 0 1 131072 7 1 0.048800
"CG" "C" 0 1 131072 8 6 0.646200
"OD1" "O" 0 1 131072 9 8 -0.555400
"OD2" "OH" 0 1 131072 10 8 -0.637600
"HD2" "HO" 0 1 131072 11 1 0.474700
"C" "C" 0 1 131072 12 6 0.597300
"O" "O" 0 1 131072 13 8 -0.567900
!entry.ASH.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6d" 0 -1 0.0
"HB2" "HC" 0 -1 0.0
"HB3" "HC" 0 -1 0.0
"CG" "C" 0 -1 0.0
"OD1" "O" 0 -1 0.0
"OD2" "OH" 0 -1 0.0
"HD2" "HO" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.ASH.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ASH.unit.childsequence single int
2
!entry.ASH.unit.connect array int
1
12
!entry.ASH.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 12 1
5 6 1
5 7 1
5 8 1
8 9 1
8 10 1
10 11 1
12 13 1
!entry.ASH.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
!entry.ASH.unit.name single str
"ASH"
!entry.ASH.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.2751 5.01138 1.19453
3.66911 5.95494 0.620011
5.40773 5.09188 1.74067
5.7429 5.98718 1.65292
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.ASH.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 12 0 0 0 0
!entry.ASH.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"ASH" 1 14 1 "p" 3
!entry.ASH.unit.residuesPdbSequenceNumber array int
0
!entry.ASH.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ASH.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.ASN.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 0.014300
"HA" "H1" 0 1 131072 4 1 0.104800
"CB" "6N" 0 1 131072 5 6 -0.204100
"HB2" "HC" 0 1 131072 6 1 0.079700
"HB3" "HC" 0 1 131072 7 1 0.079700
"CG" "C" 0 1 131072 8 6 0.713000
"OD1" "O" 0 1 131072 9 8 -0.593100
"ND2" "N" 0 1 131072 10 7 -0.919100
"HD21" "H" 0 1 131072 11 1 0.419600
"HD22" "H" 0 1 131072 12 1 0.419600
"C" "C" 0 1 131072 13 6 0.597300
"O" "O" 0 1 131072 14 8 -0.567900
!entry.ASN.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6N" 0 -1 0.0
"HB2" "HC" 0 -1 0.0
"HB3" "HC" 0 -1 0.0
"CG" "C" 0 -1 0.0
"OD1" "O" 0 -1 0.0
"ND2" "N" 0 -1 0.0
"HD21" "H" 0 -1 0.0
"HD22" "H" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.ASN.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ASN.unit.childsequence single int
2
!entry.ASN.unit.connect array int
1
13
!entry.ASN.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 13 1
5 6 1
5 7 1
5 8 1
8 9 1
8 10 1
10 11 1
10 12 1
13 14 1
!entry.ASN.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
"R" 1 "A" 14
!entry.ASN.unit.name single str
"ASN"
!entry.ASN.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.2537 5.01711 1.23214
5.0053 5.34041 0.315072
3.98488 5.81791 2.26592
4.40801 6.7337 2.31474
3.35961 5.5043 2.99446
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.ASN.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 13 0 0 0 0
!entry.ASN.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"ASN" 1 15 1 "p" 5
!entry.ASN.unit.residuesPdbSequenceNumber array int
0
!entry.ASN.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ASN.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.ASP.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.516300
"H" "H" 0 1 131072 2 1 0.293600
"CA" "CT" 0 1 131072 3 6 0.038100
"HA" "H1" 0 1 131072 4 1 0.088000
"CB" "6D" 0 1 131072 5 6 -0.030300
"HB2" "HC" 0 1 131072 6 1 -0.012200
"HB3" "HC" 0 1 131072 7 1 -0.012200
"CG" "C" 0 1 131072 8 6 0.799400
"OD1" "O2" 0 1 131072 9 8 -0.801400
"OD2" "O2" 0 1 131072 10 8 -0.801400
"C" "C" 0 1 131072 11 6 0.536600
"O" "O" 0 1 131072 12 8 -0.581900
!entry.ASP.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6D" 0 -1 0.0
"HB2" "HC" 0 -1 0.0
"HB3" "HC" 0 -1 0.0
"CG" "C" 0 -1 0.0
"OD1" "O2" 0 -1 0.0
"OD2" "O2" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.ASP.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ASP.unit.childsequence single int
2
!entry.ASP.unit.connect array int
1
11
!entry.ASP.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 11 1
5 6 1
5 7 1
5 8 1
8 9 1
8 10 1
11 12 1
!entry.ASP.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
!entry.ASP.unit.name single str
"ASP"
!entry.ASP.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.2751 5.01138 1.19453
3.66911 5.95494 0.620011
5.40773 5.09188 1.74067
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.ASP.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 11 0 0 0 0
!entry.ASP.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"ASP" 1 13 1 "p" 3
!entry.ASP.unit.residuesPdbSequenceNumber array int
0
!entry.ASP.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.ASP.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.CYM.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 -0.035100
"HA" "H1" 0 1 131072 4 1 0.050800
"CB" "6c" 0 1 131072 5 6 -0.241300
"HB3" "H1" 0 1 131072 6 1 0.112200
"HB2" "H1" 0 1 131072 7 1 0.112200
"SG" "SH" 0 1 131072 8 16 -0.884400
"C" "C" 0 1 131072 9 6 0.597300
"O" "O" 0 1 131072 10 8 -0.567900
!entry.CYM.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6c" 0 -1 0.0
"HB3" "H1" 0 -1 0.0
"HB2" "H1" 0 -1 0.0
"SG" "SH" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.CYM.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.CYM.unit.childsequence single int
2
!entry.CYM.unit.connect array int
1
9
!entry.CYM.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 9 1
5 6 1
5 7 1
5 8 1
9 10 1
!entry.CYM.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
!entry.CYM.unit.name single str
"CYM"
!entry.CYM.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
3.87748 3.11579 2.1312
2.497 3.80107 1.24138
4.30957 5.30352 1.36604
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.CYM.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 9 0 0 0 0
!entry.CYM.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"CYM" 1 11 1 "p" 3
!entry.CYM.unit.residuesPdbSequenceNumber array int
0
!entry.CYM.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.CYM.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.CYS.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 0.021300
"HA" "H1" 0 1 131072 4 1 0.112400
"CB" "6C" 0 1 131072 5 6 -0.123100
"HB2" "H1" 0 1 131072 6 1 0.111200
"HB3" "H1" 0 1 131072 7 1 0.111200
"SG" "SH" 0 1 131072 8 16 -0.311900
"HG" "HS" 0 1 131072 9 1 0.193300
"C" "C" 0 1 131072 10 6 0.597300
"O" "O" 0 1 131072 11 8 -0.567900
!entry.CYS.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6C" 0 -1 0.0
"HB2" "H1" 0 -1 0.0
"HB3" "H1" 0 -1 0.0
"SG" "SH" 0 -1 0.0
"HG" "HS" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.CYS.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.CYS.unit.childsequence single int
2
!entry.CYS.unit.connect array int
1
10
!entry.CYS.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 10 1
5 6 1
5 7 1
5 8 1
8 9 1
10 11 1
!entry.CYS.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
!entry.CYS.unit.name single str
"CYS"
!entry.CYS.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.30957 5.30352 1.36604
3.72539 5.62202 2.51764
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.CYS.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 10 0 0 0 0
!entry.CYS.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"CYS" 1 12 1 "p" 3
!entry.CYS.unit.residuesPdbSequenceNumber array int
0
!entry.CYS.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.CYS.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.CYX.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 0.042900
"HA" "H1" 0 1 131072 4 1 0.076600
"CB" "CT" 0 1 131072 5 6 -0.079000
"HB2" "H1" 0 1 131072 6 1 0.091000
"HB3" "H1" 0 1 131072 7 1 0.091000
"SG" "S" 0 1 131072 8 16 -0.108100
"C" "C" 0 1 131072 9 6 0.597300
"O" "O" 0 1 131072 10 8 -0.567900
!entry.CYX.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "CT" 0 -1 0.0
"HB2" "H1" 0 -1 0.0
"HB3" "H1" 0 -1 0.0
"SG" "S" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.CYX.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.CYX.unit.childsequence single int
2
!entry.CYX.unit.connect array int
1
9
!entry.CYX.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 9 1
5 6 1
5 7 1
5 8 1
9 10 1
!entry.CYX.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
!entry.CYX.unit.name single str
"CYX"
!entry.CYX.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.30957 5.30352 1.36604
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.CYX.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 9 8 0 0 0
!entry.CYX.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"CYX" 1 11 1 "p" 3
!entry.CYX.unit.residuesPdbSequenceNumber array int
0
!entry.CYX.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.CYX.unit.velocities table dbl x dbl y dbl z
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
!entry.GLH.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"N" "N" 0 1 131072 1 7 -0.415700
"H" "H" 0 1 131072 2 1 0.271900
"CA" "CT" 0 1 131072 3 6 0.014500
"HA" "H1" 0 1 131072 4 1 0.077900
"CB" "6J" 0 1 131072 5 6 -0.007100
"HB2" "HC" 0 1 131072 6 1 0.025600
"HB3" "HC" 0 1 131072 7 1 0.025600
"CG" "6j" 0 1 131072 8 6 -0.017400
"HG2" "HC" 0 1 131072 9 1 0.043000
"HG3" "HC" 0 1 131072 10 1 0.043000
"CD" "C" 0 1 131072 11 6 0.680100
"OE1" "O" 0 1 131072 12 8 -0.583800
"OE2" "OH" 0 1 131072 13 8 -0.651100
"HE2" "HO" 0 1 131072 14 1 0.464100
"C" "C" 0 1 131072 15 6 0.597300
"O" "O" 0 1 131072 16 8 -0.567900
!entry.GLH.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"N" "N" 0 -1 0.0
"H" "H" 0 -1 0.0
"CA" "CT" 0 -1 0.0
"HA" "H1" 0 -1 0.0
"CB" "6J" 0 -1 0.0
"HB2" "HC" 0 -1 0.0
"HB3" "HC" 0 -1 0.0
"CG" "6j" 0 -1 0.0
"HG2" "HC" 0 -1 0.0
"HG3" "HC" 0 -1 0.0
"CD" "C" 0 -1 0.0
"OE1" "O" 0 -1 0.0
"OE2" "OH" 0 -1 0.0
"HE2" "HO" 0 -1 0.0
"C" "C" 0 -1 0.0
"O" "O" 0 -1 0.0
!entry.GLH.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.GLH.unit.childsequence single int
2
!entry.GLH.unit.connect array int
1
15
!entry.GLH.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 3 1
3 4 1
3 5 1
3 15 1
5 6 1
5 7 1
5 8 1
8 9 1
8 10 1
8 11 1
11 12 1
11 13 1
13 14 1
15 16 1
!entry.GLH.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
"R" 1 "A" 14
"R" 1 "A" 15
"R" 1 "A" 16
!entry.GLH.unit.name single str
"GLH"
!entry.GLH.unit.positions table dbl x dbl y dbl z
3.32577 1.54791 -1.60726e-06
3.90941 0.723611 -2.7399e-06
3.97005 2.84579 -1.31214e-07
3.67166 3.40013 -0.88982
3.57696 3.65384 1.23214
2.497 3.80107 1.24138
3.87748 3.11579 2.1312
4.26733 4.99627 1.19495
5.34741 4.84984 1.18616
3.96692 5.53512 0.296342
3.87373 5.80537 2.42871
4.59459 5.67901 3.45438
2.85596 6.54207 2.33372
2.71053 6.99662 3.16668
5.48554 2.70521 -4.39885e-06
6.00882 1.59318 -8.44983e-06
!entry.GLH.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
1 15 0 0 0 0