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parse-parm.dat
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parse-parm.dat
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# for the APBS Vparam class from the AMBER PARM94 force field
# Adapted by Todd Dolinsky and Nathan Baker
#
# Format:
# <RESIDUE> <ATOM> <CHARGE> <RADIUS> <EPSILON>
# where <RESIDUE> is the residue name, <ATOM> is the atom name, <CHARGE>
# is the atomic charge in e, <RADIUS> is the van der Waals radius in
# A, and <EPSILON> is the van der Waals well depth in kcal/mol.
##########################################################################
ACE C 0.597200000 1.700000000 0.359824000
ACE CH3 -0.366200000 1.700000000 0.457729600
ACE HH31 0.112300000 0.000000000 0.065688800
ACE HH32 0.112300000 0.000000000 0.065688800
ACE HH33 0.112300000 0.000000000 0.065688800
ACE O -0.567900000 1.400000000 0.878640000
ALA C 0.597300000 1.700000000 0.359824000
ALA CA 0.033700000 2.000000000 0.457729600
ALA CB -0.182500000 2.000000000 0.457729600
ALA H 0.271900000 1.000000000 0.065688800
ALA HN 0.271900000 1.000000000 0.065688800
ALA HA 0.082300000 0.00000000 0.065688800
ALA HB1 0.060300000 0.000000000 0.065688800
ALA HB2 0.060300000 0.000000000 0.065688800
ALA HB3 0.060300000 0.000000000 0.065688800
ALA N -0.415700000 1.500000000 0.711280000
ALA O -0.567900000 1.400000000 0.878640000
ARG C 0.734100000 1.7000000000 0.359824000
ARG CA -0.263700000 2.000000000 0.457729600
ARG CB -0.000700000 2.000000000 0.457729600
ARG CD 0.048600000 2.000000000 0.457729600
ARG CG 0.039000000 2.000000000 0.457729600
ARG CZ 0.807600000 1.700000000 0.359824000
ARG H 0.274700000 1.000000000 0.065688800
ARG HN 0.274700000 1.000000000 0.065688800
ARG HA 0.156000000 0.000000000 0.065688800
ARG HB1 0.032700000 0.000000000 0.065688800
ARG HB3 0.032700000 0.000000000 0.065688800
ARG HB2 0.032700000 0.000000000 0.065688800
ARG HD1 0.068700000 0.000000000 0.065688800
ARG HD3 0.068700000 0.000000000 0.065688800
ARG HD2 0.068700000 0.000000000 0.065688800
ARG HE 0.345600000 1.000000000 0.065688800
ARG HG1 0.028500000 0.000000000 0.065688800
ARG HG3 0.028500000 0.000000000 0.065688800
ARG HG2 0.028500000 0.000000000 0.065688800
ARG HH11 0.447800000 1.000000000 0.065688800
ARG HH12 0.447800000 1.000000000 0.065688800
ARG HH21 0.447800000 1.000000000 0.065688800
ARG HH22 0.447800000 1.000000000 0.065688800
ARG N -0.347900000 1.500000000 0.711280000
ARG NE -0.529500000 1.500000000 0.711280000
ARG NH1 -0.862700000 1.500000000 0.711280000
ARG NH2 -0.862700000 1.500000000 0.711280000
ARG O -0.589400000 1.400000000 0.878640000
ASN C 0.597300000 1.7000000000 0.359824000
ASN CA 0.014300000 2.000000000 0.457729600
ASN CB -0.204100000 2.000000000 0.457729600
ASN CG 0.713000000 1.700000000 0.359824000
ASN H 0.271900000 1.000000000 0.065688800
ASN HN 0.271900000 1.000000000 0.065688800
ASN HA 0.104800000 0.000000000 0.065688800
ASN HB1 0.079700000 0.000000000 0.065688800
ASN HB3 0.079700000 0.000000000 0.065688800
ASN HB2 0.079700000 0.000000000 0.065688800
ASN HD21 0.419600000 1.000000000 0.065688800
ASN HD22 0.419600000 1.000000000 0.065688800
ASN N -0.415700000 1.500000000 0.711280000
ASN ND2 -0.919100000 1.500000000 0.711280000
ASN O -0.567900000 1.400000000 0.878640000
ASN OD1 -0.593100000 1.400000000 0.878640000
ASP C 0.536600000 1.7000000 0.359824000
ASP CA 0.038100000 2.000000000 0.457729600
ASP CB -0.030300000 2.000000000 0.457729600
ASP CG 0.799400000 1.700000000 0.359824000
ASP H 0.293600000 1.000000000 0.065688800
ASP HN 0.293600000 1.000000000 0.065688800
ASP HA 0.088000000 0.000000000 0.065688800
ASP HB1 -0.012200000 0.000000000 0.065688800
ASP HB3 -0.012200000 0.000000000 0.065688800
ASP HB2 -0.012200000 0.000000000 0.065688800
ASP N -0.516300000 1.500000000 0.711280000
ASP O -0.581900000 1.400000000 0.878640000
ASP OD1 -0.801400000 1.400000000 0.878640000
ASP OD2 -0.801400000 1.400000000 0.878640000
CYS C 0.597300000 1.700000 0.359824000
CYS CA 0.021300000 2.000000000 0.457729600
CYS CB -0.123100000 2.000000000 0.457729600
CYS H 0.271900000 1.000000000 0.065688800
CYS HN 0.271900000 1.000000000 0.065688800
CYS HA 0.112400000 0.000000000 0.065688800
CYS HB1 0.111200000 0.000000000 0.065688800
CYS HB3 0.111200000 0.000000000 0.065688800
CYS HB2 0.111200000 0.000000000 0.065688800
CYS HG 0.193300000 1.000000000 0.065688800
CYS N -0.415700000 1.500000000 0.711280000
CYS O -0.567900000 1.400000000 0.878640000
CYS SG -0.311900000 1.850000000 1.046000000
CYX C 0.597300000 1.700000 0.359824000
CYX CA 0.042900000 2.000000000 0.457729600
CYX CB -0.079000000 2.000000000 0.457729600
CYX H 0.271900000 1.000000000 0.065688800
CYX HA 0.076600000 1.387000000 0.065688800
CYX HB2 0.091000000 1.387000000 0.065688800
CYX HB3 0.091000000 1.387000000 0.065688800
CYX N -0.415700000 1.500000000 0.711280000
CYX O -0.567900000 1.400000000 0.878640000
CYX SG -0.108100000 2.000000000 1.046000000
GLN C 0.597300000 1.7000000 0.359824000
GLN CA -0.003100000 2.000000000 0.457729600
GLN CB -0.003600000 2.000000000 0.457729600
GLN CD 0.695100000 1.700000000 0.359824000
GLN CG -0.064500000 2.000 0.457729600
GLN H 0.271900000 1.000000000 0.065688800
GLN HN 0.271900000 1.000000000 0.065688800
GLN HA 0.085000000 0.000000000 0.065688800
GLN HB1 0.017100000 0.000000000 0.065688800
GLN HB3 0.017100000 0.000000000 0.065688800
GLN HB2 0.017100000 0.000000000 0.065688800
GLN HE21 0.425100000 1.000000000 0.065688800
GLN HE22 0.425100000 1.000000000 0.065688800
GLN HG1 0.035200000 0.000000000 0.065688800
GLN HG3 0.035200000 0.000000000 0.065688800
GLN HG2 0.035200000 0.000000000 0.065688800
GLN N -0.415700000 1.500000000 0.711280000
GLN NE2 -0.940700000 1.500000000 0.711280000
GLN O -0.567900000 1.400000000 0.878640000
GLN OE1 -0.608600000 1.400000000 0.878640000
GLU C 0.536600000 1.7000000000 0.359824000
GLU CA 0.039700000 2.000000000 0.457729600
GLU CB 0.056000000 2.000000000 0.457729600
GLU CD 0.805400000 1.700000000 0.359824000
GLU CG 0.013600000 2.000000000 0.457729600
GLU H 0.293600000 1.000000000 0.065688800
GLU HN 0.293600000 1.000000000 0.065688800
GLU HA 0.110500000 0.000000000 0.065688800
GLU HB1 -0.017300000 0.000000000 0.065688800
GLU HB3 -0.017300000 0.000000000 0.065688800
GLU HB2 -0.017300000 0.000000000 0.065688800
GLU HG1 -0.042500000 0.000000000 0.065688800
GLU HG3 -0.042500000 0.000000000 0.065688800
GLU HG2 -0.042500000 0.000000000 0.065688800
GLU N -0.516300000 1.500000000 0.711280000
GLU O -0.581900000 1.400000000 0.878640000
GLU OE1 -0.818800000 1.400000000 0.878640000
GLU OE2 -0.818800000 1.400000000 0.878640000
GLY C 0.597300000 1.700000000 0.359824000
GLY CA -0.025200000 2.000000000 0.457729600
GLY H 0.271900000 1.000000000 0.065688800
GLY HN 0.271900000 1.000000000 0.065688800
GLY HA1 0.069800000 0.000000000 0.065688800
GLY HA3 0.069800000 0.000000000 0.065688800
GLY HA2 0.069800000 0.000000000 0.065688800
GLY N -0.415700000 1.500000000 0.711280000
GLY O -0.567900000 1.400000000 0.878640000
HSD C 0.597300000 1.7000000000 0.359824000
HSD CA 0.018800000 2.000000000 0.457729600
HSD CB -0.046200000 2.000000000 0.457729600
HSD CD2 0.129200000 1.700000000 0.359824000
HSD CE1 0.205700000 1.700000000 0.359824000
HSD CG -0.026600000 1.700000000 0.359824000
HSD H 0.271900000 1.000000000 0.065688800
HSD HN 0.271900000 1.000000000 0.065688800
HSD HA 0.088100000 0.000000000 0.065688800
HSD HB1 0.040200000 0.000000000 0.065688800
HSD HB3 0.040200000 0.000000000 0.065688800
HSD HB2 0.040200000 0.000000000 0.065688800
HSD HD1 0.364900000 1.000000000 0.065688800
HSD HD2 0.114700000 1.000000000 0.062760000
HSD HE1 0.139200000 1.000000000 0.062760000
HSD N -0.415700000 1.500000000 0.711280000
HSD ND1 -0.381100000 1.500000000 0.711280000
HSD NE2 -0.572700000 1.500000000 0.711280000
HSD O -0.567900000 1.400000000 0.878640000
HSE C 0.597300000 1.7000000000 0.359824000
HSE CA -0.058100000 2.000000000 0.457729600
HSE CB -0.007400000 2.000000000 0.457729600
HSE CD2 -0.220700000 1.700000000 0.359824000
HSE CE1 0.163500000 1.700000000 0.359824000
HSE CG 0.186800000 1.700000000 0.359824000
HSE H 0.271900000 1.000000000 0.065688800
HSE HN 0.271900000 1.000000000 0.065688800
HSE HA 0.136000000 0.000000000 0.065688800
HSE HB1 0.036700000 0.000000000 0.065688800
HSE HB3 0.036700000 0.000000000 0.065688800
HSE HB2 0.036700000 0.000000000 0.065688800
HSE HD2 0.186200000 1.000000000 0.062760000
HSE HE1 0.143500000 1.000000000 0.062760000
HSE HE2 0.333900000 1.000000000 0.065688800
HSE N -0.415700000 1.500000000 0.711280000
HSE ND1 -0.543200000 1.500000000 0.711280000
HSE NE2 -0.279500000 1.500000000 0.711280000
HSE O -0.567900000 1.400000000 0.878640000
HIS C 0.734100000 1.7000000000 0.359824000
HIS CA -0.135400000 2.000000000 0.457729600
HIS CB -0.041400000 2.000000000 0.457729600
HIS CD2 -0.114100000 1.700000000 0.359824000
HIS CE1 -0.017000000 1.700000000 0.359824000
HIS CG -0.001200000 1.700000000 0.359824000
HIS H 0.274700000 1.000000000 0.065688800
HIS HN 0.274700000 1.000000000 0.065688800
HIS HA 0.121200000 1.000000000 0.065688800
HIS HB1 0.081000000 0.000000000 0.065688800
HIS HB3 0.081000000 0.000000000 0.065688800
HIS HB2 0.081000000 0.000000000 0.065688800
HIS HD1 0.386600000 1.000000000 0.065688800
HIS HD2 0.231700000 1.000000000 0.062760000
HIS HE1 0.268100000 1.000000000 0.062760000
HIS HE2 0.391100000 1.000000000 0.065688800
HIS N -0.347900000 1.500000000 0.711280000
HIS ND1 -0.151300000 1.500000000 0.711280000
HIS NE2 -0.171800000 1.500000000 0.711280000
HIS O -0.589400000 1.400000000 0.878640000
ILE C 0.597300000 1.70000000 0.359824000
ILE CA -0.059700000 2.000000000 0.457729600
ILE CB 0.130300000 2.000000000 0.457729600
ILE CD1 -0.066000000 2.000000000 0.457729600
ILE CD -0.066000000 2.000000000 0.457729600
ILE CG1 -0.043000000 2.000000000 0.457729600
ILE CG2 -0.320400000 2.000000000 0.457729600
ILE H 0.271900000 1.000000000 0.065688800
ILE HN 0.271900000 1.000000000 0.065688800
ILE HA 0.086900000 0.000000000 0.065688800
ILE HB 0.018700000 0.000000000 0.065688800
ILE HD11 0.018600000 0.0000000000 0.065688800
ILE HD12 0.018600000 0.000000000 0.065688800
ILE HD13 0.018600000 0.0000000000 0.065688800
ILE HG11 0.023600000 0.000000000 0.065688800
ILE HG12 0.023600000 0.0000000000 0.065688800
ILE HG13 0.023600000 0.0000000000 0.065688800
ILE HG21 0.088200000 0.000000000 0.065688800
ILE HG22 0.088200000 0.00000000 0.065688800
ILE HG23 0.088200000 0.000000000 0.065688800
ILE N -0.415700000 1.500000000 0.711280000
ILE O -0.567900000 1.400000000 0.878640000
LEU C 0.597300000 1.700000000 0.359824000
LEU CA -0.051800000 2.000000000 0.457729600
LEU CB -0.110200000 2.000000000 0.457729600
LEU CD1 -0.412100000 2.00000000 0.457729600
LEU CD2 -0.412100000 2.00000000 0.457729600
LEU CG 0.353100000 2.000000000 0.457729600
LEU H 0.271900000 1.000000000 0.065688800
LEU HN 0.271900000 1.000000000 0.065688800
LEU HA 0.092200000 0.000000000 0.065688800
LEU HB1 0.045700000 0.000000000 0.065688800
LEU HB3 0.045700000 0.000000000 0.065688800
LEU HB2 0.045700000 0.000000000 0.065688800
LEU HD11 0.100000000 0.000000000 0.065688800
LEU HD12 0.100000000 0.000000000 0.065688800
LEU HD13 0.100000000 0.000000000 0.065688800
LEU HD21 0.100000000 0.000000000 0.065688800
LEU HD22 0.100000000 0.000000000 0.065688800
LEU HD23 0.100000000 0.000000000 0.065688800
LEU HG -0.036100000 0.000000000 0.065688800
LEU N -0.415700000 1.500000000 0.711280000
LEU O -0.567900000 1.400000000 0.878640000
LYS C 0.734100000 1.7000000000 0.359824000
LYS CA -0.240000000 2.000000000 0.457729600
LYS CB -0.009400000 2.000000000 0.457729600
LYS CD -0.047900000 2.000000000 0.457729600
LYS CD1 -0.047900000 2.000000000 0.457729600
LYS CE -0.014300000 2.00000000 0.457729600
LYS CG 0.018700000 2.000000000 0.457729600
LYS H 0.274700000 1.000000000 0.065688800
LYS HA 0.142600000 0.000000000 0.065688800
LYS HB1 0.036200000 0.000000000 0.065688800
LYS HB3 0.036200000 0.000000000 0.065688800
LYS HB2 0.036200000 0.000000000 0.065688800
LYS HD11 0.062100000 0.000000000 0.065688800
LYS HD3 0.062100000 0.000000000 0.065688800
LYS HD2 0.062100000 0.000000000 0.065688800
LYS HE1 0.113500000 0.000000000 0.065688800
LYS HE3 0.113500000 0.000000000 0.065688800
LYS HE2 0.113500000 0.000000000 0.065688800
LYS HG1 0.010300000 0.000000000 0.065688800
LYS HG3 0.010300000 0.000000000 0.065688800
LYS HG2 0.010300000 0.000000000 0.065688800
LYS HZ1 0.340000000 1.000000000 0.065688800
LYS HZ2 0.340000000 1.000000000 0.065688800
LYS HZ3 0.340000000 1.000000000 0.065688800
LYS N -0.347900000 1.500000000 0.711280000
LYS NZ -0.385400000 1.500000000 0.711280000
LYS O -0.589400000 1.400000000 0.878640000
MET C 0.597300000 1.7000000000 0.359824000
MET CA -0.023700000 2.000000000 0.457729600
MET CB 0.034200000 2.000000000 0.457729600
MET CE -0.053600000 2.000000000 0.457729600
MET CG 0.001800000 2.000000000 0.457729600
MET H 0.271900000 1.000000000 0.065688800
MET HN 0.271900000 1.000000000 0.065688800
MET HA 0.088000000 0.0000000 0.065688800
MET HB1 0.024100000 0.000000000 0.065688800
MET HB3 0.024100000 0.000000000 0.065688800
MET HB2 0.024100000 0.000000000 0.065688800
MET HE1 0.068400000 0.000000000 0.065688800
MET HE3 0.068400000 0.000000000 0.065688800
MET HE2 0.068400000 0.000000000 0.065688800
MET HE3 0.068400000 0.000000000 0.065688800
MET HG1 0.044000000 0.000000000 0.065688800
MET HG3 0.044000000 0.000000000 0.065688800
MET HG2 0.044000000 0.000000000 0.065688800
MET N -0.415700000 1.500000000 0.711280000
MET O -0.567900000 1.400000000 0.878640000
MET SD -0.273700000 1.850000000 1.046000000
PHE C 0.597300000 1.7000000000 0.359824000
PHE CA -0.002400000 2.000000000 0.457729600
PHE CB -0.034300000 2.000000000 0.457729600
PHE CD1 -0.125600000 1.700000000 0.359824000
PHE CD2 -0.125600000 1.700000000 0.359824000
PHE CE1 -0.170400000 1.700000000 0.359824000
PHE CE2 -0.170400000 1.700000000 0.359824000
PHE CG 0.011800000 1.700000000 0.359824000
PHE CZ -0.107200000 1.700000000 0.359824000
PHE H 0.271900000 1.000000000 0.065688800
PHE HN 0.271900000 1.000000000 0.065688800
PHE HA 0.097800000 0.000000000 0.065688800
PHE HB1 0.029500000 0.000000000 0.065688800
PHE HB3 0.029500000 0.000000000 0.065688800
PHE HB2 0.029500000 0.000000000 0.065688800
PHE HD1 0.133000000 1.000000000 0.062760000
PHE HD3 0.133000000 1.000000000 0.062760000
PHE HD2 0.133000000 1.000000000 0.062760000
PHE HE3 0.143000000 1.000000000 0.062760000
PHE HE1 0.143000000 1.000000000 0.062760000
PHE HE2 0.143000000 1.000000000 0.062760000
PHE HZ 0.129700000 1.000000000 0.062760000
PHE N -0.415700000 1.500000000 0.711280000
PHE O -0.567900000 1.400000000 0.878640000
PRO C 0.589600000 1.7000000000 0.359824000
PRO CA -0.026600000 2.000000000 0.457729600
PRO CB -0.007000000 2.000000000 0.457729600
PRO CD 0.019200000 2.000000000 0.457729600
PRO CG 0.018900000 2.000000000 0.457729600
PRO HA 0.064100000 0.0000000 0.065688800
PRO HB1 0.025300000 0.000000000 0.065688800
PRO HB3 0.025300000 0.000000000 0.065688800
PRO HB2 0.025300000 0.000000000 0.065688800
PRO HD1 0.039100000 0.000000000 0.065688800
PRO HD3 0.039100000 0.000000000 0.065688800
PRO HD2 0.039100000 0.000000000 0.065688800
PRO HG1 0.021300000 0.000000000 0.065688800
PRO HG3 0.021300000 0.000000000 0.065688800
PRO HG2 0.021300000 0.00000000 0.065688800
PRO N -0.254800000 1.500000000 0.711280000
PRO O -0.574800000 1.400000000 0.878640000
SER C 0.597300000 1.7000000000 0.359824000
SER CA -0.024900000 2.000000000 0.457729600
SER CB 0.211700000 2.000000000 0.457729600
SER H 0.271900000 1.000000000 0.065688800
SER HN 0.271900000 1.000000000 0.065688800
SER HA 0.084300000 0.000000000 0.065688800
SER HB1 0.035200000 0.000000000 0.065688800
SER HB3 0.035200000 0.000000000 0.065688800
SER HB2 0.035200000 0.0000000 0.065688800
SER HG 0.427500000 1.000000000 0.000000000
SER N -0.415700000 1.500000000 0.711280000
SER O -0.567900000 1.400000000 0.878640000
SER OG -0.654600000 1.400000000 0.880313600
THR C 0.597300000 1.7000000000 0.359824000
THR CA -0.038900000 2.000000000 0.457729600
THR CB 0.365400000 2.000000000 0.457729600
THR CG2 -0.243800000 2.00000000 0.457729600
THR H 0.271900000 1.000000000 0.065688800
THR HN 0.271900000 1.000000000 0.065688800
THR HA 0.100700000 0.000000000 0.065688800
THR HB 0.004300000 0.000000000 0.065688800
THR HG1 0.410200000 1.000000000 0.000000000
THR HG21 0.064200000 0.000000000 0.065688800
THR HG22 0.064200000 0.000000000 0.065688800
THR HG23 0.064200000 0.000000000 0.065688800
THR N -0.415700000 1.500000000 0.711280000
THR O -0.567900000 1.400000000 0.878640000
THR OG1 -0.676100000 1.4000000 0.880313600
TRP C 0.597300000 1.7000000000 0.359824000
TRP CA -0.027500000 2.000000000 0.457729600
TRP CB -0.005000000 2.000000000 0.457729600
TRP CD1 -0.163800000 1.700000000 0.359824000
TRP CD3 -0.163800000 1.700000000 0.359824000
TRP CD2 0.124300000 1.700000000 0.359824000
TRP CE2 0.138000000 1.700000000 0.359824000
TRP CE1 0.138000000 1.700000000 0.359824000
TRP CE3 -0.238700000 1.700000000 0.359824000
TRP CG -0.141500000 1.700000000 0.359824000
TRP CH2 -0.113400000 1.700000000 0.359824000
TRP CZ2 -0.260100000 1.700000000 0.359824000
TRP CZ1 -0.260100000 1.700000000 0.359824000
TRP CZ3 -0.197200000 1.700000000 0.359824000
TRP H 0.271900000 1.000000000 0.065688800
TRP HN 0.271900000 1.000000000 0.065688800
TRP HA 0.112300000 0.000000000 0.065688800
TRP HB1 0.033900000 0.000000000 0.065688800
TRP HB3 0.033900000 0.000000000 0.065688800
TRP HB2 0.033900000 0.000000000 0.065688800
TRP HD1 0.206200000 1.000000000 0.062760000
TRP HE2 0.341200000 1.000000000 0.065688800
TRP HE1 0.341200000 1.000000000 0.065688800
TRP HE3 0.170000000 1.000000000 0.062760000
TRP HH2 0.141700000 1.000000000 0.062760000
TRP HZ2 0.157200000 1.000000000 0.062760000
TRP HZ1 0.157200000 1.000000000 0.062760000
TRP HZ3 0.144700000 1.000000000 0.062760000
TRP N -0.415700000 1.500000000 0.711280000
TRP NE1 -0.341800000 1.500000000 0.711280000
TRP O -0.567900000 1.400000000 0.878640000
TYR C 0.597300000 1.7000000000 0.359824000
TYR CA -0.001400000 2.000000000 0.457729600
TYR CB -0.015200000 2.000000000 0.457729600
TYR CD1 -0.190600000 1.700000000 0.359824000
TYR CD2 -0.190600000 1.700000000 0.359824000
TYR CE1 -0.234100000 1.700000000 0.359824000
TYR CE2 -0.234100000 1.700000000 0.359824000
TYR CG -0.001100000 1.700000000 0.359824000
TYR CZ 0.322600000 1.700000000 0.359824000
TYR H 0.271900000 1.000000000 0.065688800
TYR HN 0.271900000 1.000000000 0.065688800
TYR HA 0.087600000 0.000000000 0.065688800
TYR HB1 0.029500000 0.000000000 0.065688800
TYR HB3 0.029500000 0.000000000 0.065688800
TYR HB2 0.029500000 0.000000000 0.065688800
TYR HD1 0.169900000 1.000000000 0.062760000
TYR HD3 0.169900000 1.000000000 0.062760000
TYR HD2 0.169900000 1.000000000 0.062760000
TYR HE1 0.165600000 1.000000000 0.062760000
TYR HE3 0.165600000 1.000000000 0.062760000
TYR HE2 0.165600000 1.000000000 0.062760000
TYR HH 0.399200000 1.000000000 0.000000000
TYR N -0.415700000 1.500000000 0.711280000
TYR O -0.567900000 1.400000000 0.878640000
TYR OH -0.557900000 1.4000000 0.880313600
VAL C 0.597300000 1.7000000000 0.359824000
VAL CA -0.087500000 2.000000000 0.457729600
VAL CB 0.298500000 2.0000000 0.457729600
VAL CG1 -0.319200000 2.000000000 0.457729600
VAL CG2 -0.319200000 2.000000000 0.457729600
VAL H 0.271900000 1.000000000 0.065688800
VAL HN 0.271900000 1.000000000 0.065688800
VAL HA 0.096900000 0.000000000 0.065688800
VAL HB -0.029700000 0.000000000 0.065688800
VAL HG11 0.079100000 0.000000000 0.065688800
VAL HG12 0.079100000 0.000000000 0.065688800
VAL HG13 0.079100000 0.000000000 0.065688800
VAL HG21 0.079100000 0.000000000 0.065688800
VAL HG22 0.079100000 0.000000000 0.065688800
VAL HG23 0.079100000 0.000000000 0.065688800
VAL N -0.415700000 1.500000000 0.711280000
VAL O -0.567900000 1.400000000 0.878640000
WAT OW 0.0000000000 1.400000000 0.636386400