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sobolevnrm/weiner86-param.dat

Created December 23, 2020 02:27
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Additional PDB2PQR forcefield information
Raw
weiner86-param.dat
ACE DUMM 0.00000 0 0 0.000
ACE DUMM 0.00000 0 0 1.000
ACE DUMM 0.00000 0 0 1.000
ACE H1 0.01000 0 0 1.000
ACE CH3 -0.14200 0 0 1.090
ACE H2 0.01000 0 0 1.090
ACE H3 0.01000 0 0 1.090
ACE C 0.61600 0 0 1.530
ACE O -0.50400 0 0 1.229
ALA DUMM 0.00000 0 0 0.000
ALA DUMM 0.00000 0 0 1.449
ALA DUMM 0.00000 0 0 1.522
ALA N -0.46300 0 0 1.335
ALA H 0.25200 0 0 1.010
ALA CA 0.03500 0 0 1.449
ALA HA 0.04800 0 0 1.090
ALA CB -0.09800 0 0 1.525
ALA HB1 0.03800 0 0 1.090
ALA HB2 0.03800 0 0 1.090
ALA HB3 0.03800 0 0 1.090
ALA C 0.61600 0 0 1.522
ALA O -0.50400 0 0 1.229
ARG DUMM 0.00000 0 0 0.000
ARG DUMM 0.00000 0 0 1.449
ARG DUMM 0.00000 0 0 1.522
ARG N -0.46300 0 0 1.335
ARG H 0.25200 0 0 1.010
ARG CA 0.03500 0 0 1.449
ARG HA 0.04800 0 0 1.090
ARG CB -0.08000 0 0 1.525
ARG HB2 0.05600 0 0 1.090
ARG HB3 0.05600 0 0 1.090
ARG CG -0.10300 0 0 1.525
ARG HG2 0.07400 0 0 1.090
ARG HG3 0.07400 0 0 1.090
ARG CD -0.22800 0 0 1.525
ARG HD2 0.13300 0 0 1.090
ARG HD3 0.13300 0 0 1.090
ARG NE -0.32400 0 0 1.480
ARG HE 0.26900 0 0 1.010
ARG CZ 0.76000 0 0 1.330
ARG NH1 -0.62400 0 0 1.330
ARG HH11 0.36100 0 0 1.010
ARG HH12 0.36100 0 0 1.010
ARG NH2 -0.62400 0 0 1.330
ARG HH21 0.36100 0 0 1.010
ARG HH22 0.36100 0 0 1.010
ARG C 0.61600 0 0 1.522
ARG O -0.50400 0 0 1.229
ASN DUMM 0.00000 0 0 0.000
ASN DUMM 0.00000 0 0 1.449
ASN DUMM 0.00000 0 0 1.522
ASN N -0.46300 0 0 1.335
ASN H 0.25200 0 0 1.010
ASN CA 0.03500 0 0 1.449
ASN HA 0.04800 0 0 1.090
ASN CB -0.08600 0 0 1.525
ASN HB2 0.03800 0 0 1.090
ASN HB3 0.03800 0 0 1.090
ASN CG 0.67500 0 0 1.522
ASN OD1 -0.47000 0 0 1.229
ASN ND2 -0.86700 0 0 1.335
ASN HD21 0.34400 0 0 1.010
ASN HD22 0.34400 0 0 1.010
ASN C 0.61600 0 0 1.522
ASN O -0.50400 0 0 1.229
ASN 0 0
ASN 0 0
ASPP DUMM 0.00000 0 0 0.000
ASPP DUMM 0.00000 0 0 1.449
ASPP DUMM 0.00000 0 0 1.522
ASPP N -0.46300 0 0 1.335
ASPP H 0.25200 0 0 1.010
ASPP CA 0.03500 0 0 1.449
ASPP HA 0.04800 0 0 1.090
ASPP CB -0.32300 0 0 1.525
ASPP HB2 0.13700 0 0 1.090
ASPP HB3 0.13700 0 0 1.090
ASPP CG 0.80300 0 0 1.527
ASPP OD1 -0.47600 0 0 1.260
ASPP OD2 -0.63000 0 0 1.260
ASPP HD 0.36800 0 0 0.96
ASPP C 0.61600 0 0 1.522
ASPP O -0.50400 0 0 1.229
ASP DUMM 0.00000 0 0 0.000
ASP DUMM 0.00000 0 0 1.449
ASP DUMM 0.00000 0 0 1.522
ASP N -0.46300 0 0 1.335
ASP H 0.25200 0 0 1.010
ASP CA 0.03500 0 0 1.449
ASP HA 0.04800 0 0 1.090
ASP CB -0.39800 0 0 1.525
ASP HB2 0.07100 0 0 1.090
ASP HB3 0.07100 0 0 1.090
ASP CG 0.71400 0 0 1.527
ASP OD1 -0.72100 0 0 1.260
ASP OD2 -0.72100 0 0 1.260
ASP C 0.61600 0 0 1.522
ASP O -0.50400 0 0 1.229
CYS DUMM 0.00000 0 0 0.000
CYS DUMM 0.00000 0 0 1.449
CYS DUMM 0.00000 0 0 1.522
CYS N -0.46300 0 0 1.335
CYS H 0.25200 0 0 1.010
CYS CA 0.03500 0 0 1.449
CYS HA 0.04800 0 0 1.090
CYS CB -0.06000 0 0 1.525
CYS HB2 0.03800 0 0 1.090
CYS HB3 0.03800 0 0 1.090
CYS SG 0.82700 0 0 1.810
CYS HG 0.13500 0 0 1.330
CYS LP1 -0.48100 0 0 0.679
CYS LP2 -0.48100 0 0 0.679
CYS C 0.61600 0 0 1.522
CYS O -0.50400 0 0 1.229
CYX DUMM 0.00000 0 0 0.000
CYX DUMM 0.00000 0 0 1.449
CYX DUMM 0.00000 0 0 1.522
CYX N -0.46300 0 0 1.335
CYX H 0.25200 0 0 1.010
CYX CA 0.03500 0 0 1.449
CYX HA 0.04800 0 0 1.090
CYX CB -0.09800 0 0 1.525
CYX HB2 0.04950 0 0 1.090
CYX HB3 0.04950 0 0 1.090
CYX SG 0.82400 0 0 1.810
CYX LP1 -0.40450 0 0 0.679
CYX LP2 -0.40450 0 0 0.679
CYX C 0.61600 0 0 1.522
CYX O -0.50400 0 0 1.229
DA DUMM 0.00000 0 0 0.000
DA DUMM 0.00000 0 0 1.000
DA DUMM 0.00000 0 0 1.000
DA O5' -0.50900 0 0 1.600
DA C5' 0.11800 0 0 1.440
DA H5'1 0.02100 0 0 1.090
DA H5'2 0.02100 0 0 1.090
DA C4' 0.03600 0 0 1.520
DA H4' 0.05600 0 0 1.090
DA O1' -0.36800 0 0 1.460
DA C1' 0.37600 0 0 1.420
DA H1' 0.00900 0 0 1.090
DA N9 -0.07300 0 0 1.520
DA C8 0.26300 0 0 1.370
DA H8 0.06200 0 0 1.080
DA N7 -0.54300 0 0 1.300
DA C5 -0.09700 0 0 1.390
DA C6 0.76900 0 0 1.400
DA N6 -0.76800 0 0 1.340
DA H61 0.32400 0 0 1.010
DA H62 0.33500 0 0 1.010
DA N1 -0.77400 0 0 1.340
DA C2 0.66100 0 0 1.330
DA H2 -0.03200 0 0 1.080
DA N3 -0.72800 0 0 1.320
DA C4 0.54600 0 0 1.350
DA C3' 0.23300 0 0 1.530
DA H3' 0.02500 0 0 1.090
DA C2' -0.30700 0 0 1.530
DA H2'1 0.08100 0 0 1.090
DA H2'2 0.08100 0 0 1.090
DA O3' -0.50900 0 0 1.420
DC DUMM 0.00000 0 0 0.000
DC DUMM 0.00000 0 0 1.000
DC DUMM 0.00000 0 0 1.000
DC O5' -0.50900 0 0 1.600
DC C5' 0.11800 0 0 1.440
DC H5'1 0.02100 0 0 1.090
DC H5'2 0.02100 0 0 1.090
DC C4' 0.03600 0 0 1.520
DC H4' 0.05600 0 0 1.090
DC O1' -0.36800 0 0 1.460
DC C1' 0.37600 0 0 1.420
DC H1' 0.00900 0 0 1.090
DC N1 -0.18700 0 0 1.490
DC C6 0.18500 0 0 1.360
DC H6 0.09800 0 0 1.080
DC C5 -0.57600 0 0 1.360
DC H5 0.15300 0 0 1.090
DC C4 0.93500 0 0 1.430
DC N4 -0.83400 0 0 1.320
DC H41 0.32900 0 0 1.010
DC H42 0.35100 0 0 1.010
DC N3 -0.86000 0 0 1.330
DC C2 0.85900 0 0 1.360
DC O2 -0.50800 0 0 1.240
DC C3' 0.23300 0 0 1.530
DC H3' 0.02500 0 0 1.090
DC C2' -0.30700 0 0 1.530
DC H2'1 0.08100 0 0 1.090
DC H2'2 0.08100 0 0 1.090
DC O3' -0.50900 0 0 1.420
DG DUMM 0.00000 0 0 0.000
DG DUMM 0.00000 0 0 1.000
DG DUMM 0.00000 0 0 1.000
DG O5' -0.50900 0 0 1.600
DG C5' 0.11800 0 0 1.440
DG H5'1 0.02100 0 0 1.090
DG H5'2 0.02100 0 0 1.090
DG C4' 0.03600 0 0 1.520
DG H4' 0.05600 0 0 1.090
DG O1' -0.36800 0 0 1.460
DG C1' 0.37600 0 0 1.420
DG H1' 0.00900 0 0 1.090
DG N9 -0.04200 0 0 1.490
DG C8 0.26600 0 0 1.380
DG H8 0.04600 0 0 1.080
DG N7 -0.54300 0 0 1.310
DG C5 -0.06000 0 0 1.390
DG C6 0.69000 0 0 1.420
DG O6 -0.45800 0 0 1.230
DG N1 -0.72900 0 0 1.400
DG H1 0.33600 0 0 1.000
DG C2 0.87100 0 0 1.380
DG N2 -0.77800 0 0 1.340
DG H21 0.32500 0 0 1.010
DG H22 0.33900 0 0 1.010
DG N3 -0.70900 0 0 1.330
DG C4 0.39100 0 0 1.360
DG C3' 0.23300 0 0 1.530
DG H3' 0.02500 0 0 1.090
DG C2' -0.30700 0 0 1.530
DG H2'1 0.08100 0 0 1.090
DG H2'2 0.08100 0 0 1.090
DG O3' -0.50900 0 0 1.420
DOHE DUMM 0.00000 0 0 0.000
DOHE DUMM 0.00000 0 0 1.000
DOHE DUMM 0.00000 0 0 1.000
DOHE O -0.62100 0 0 1.600
DOHE H 0.22600 0 0 0.960
DT DUMM 0.00000 0 0 0.000
DT DUMM 0.00000 0 0 1.000
DT DUMM 0.00000 0 0 1.000
DT O5' -0.50900 0 0 1.600
DT C5' 0.11800 0 0 1.440
DT H5'1 0.02100 0 0 1.090
DT H5'2 0.02100 0 0 1.090
DT C4' 0.03600 0 0 1.520
DT H4' 0.05600 0 0 1.090
DT O1' -0.36800 0 0 1.460
DT C1' 0.37600 0 0 1.420
DT H1' 0.00900 0 0 1.090
DT N1 -0.21700 0 0 1.530
DT C6 0.03400 0 0 1.370
DT H6 0.13400 0 0 1.080
DT C5 -0.17600 0 0 1.340
DT C7 -0.38200 0 0 1.500
DT H71 0.11400 0 0 1.090
DT H72 0.11400 0 0 1.090
DT H73 0.11400 0 0 1.090
DT C4 0.80900 0 0 1.440
DT O4 -0.46400 0 0 1.230
DT N3 -0.85100 0 0 1.380
DT H3 0.35500 0 0 1.090
DT C2 0.84900 0 0 1.380
DT O2 -0.48800 0 0 1.220
DT C3' 0.23300 0 0 1.530
DT H3' 0.02500 0 0 1.090
DT C2' -0.30700 0 0 1.530
DT H2'1 0.08100 0 0 1.090
DT H2'2 0.08100 0 0 1.090
DT O3' -0.50900 0 0 1.420
GLN DUMM 0.00000 0 0 0.000
GLN DUMM 0.00000 0 0 1.449
GLN DUMM 0.00000 0 0 1.522
GLN N -0.46300 0 0 1.335
GLN H 0.25200 0 0 1.010
GLN CA 0.03500 0 0 1.449
GLN HA 0.04800 0 0 1.090
GLN CB -0.09800 0 0 1.525
GLN HB2 0.03800 0 0 1.090
GLN HB3 0.03800 0 0 1.090
GLN CG -0.10200 0 0 1.525
GLN HG2 0.05700 0 0 1.090
GLN HG3 0.05700 0 0 1.090
GLN CD 0.67500 0 0 1.522
GLN OE1 -0.47000 0 0 1.229
GLN NE2 -0.86700 0 0 1.335
GLN HE21 0.34400 0 0 1.010
GLN HE22 0.34400 0 0 1.010
GLN C 0.61600 0 0 1.522
GLN O -0.50400 0 0 1.229
GLUP DUMM 0.00000 0 0 0.000
GLUP DUMM 0.00000 0 0 1.449
GLUP DUMM 0.00000 0 0 1.522
GLUP N -0.46300 0 0 1.335
GLUP H 0.25200 0 0 1.010
GLUP CA 0.03500 0 0 1.449
GLUP HA 0.04800 0 0 1.090
GLUP CB -0.18400 0 0 1.525
GLUP HB2 0.09200 0 0 1.090
GLUP HB3 0.09200 0 0 1.090
GLUP CG -0.32300 0 0 1.510
GLUP HG2 0.13700 0 0 1.090
GLUP HG3 0.13700 0 0 1.090
GLUP CD 0.80300 0 0 1.527
GLUP OE1 -0.47600 0 0 1.260
GLUP OE2 -0.63000 0 0 1.260
GLUP HE 0.36800 0 0 0.960
GLUP C 0.61600 0 0 1.522
GLUP O -0.50400 0 0 1.229
GLU DUMM 0.00000 0 0 0.000
GLU DUMM 0.00000 0 0 1.449
GLU DUMM 0.00000 0 0 1.522
GLU N -0.46300 0 0 1.335
GLU H 0.25200 0 0 1.010
GLU CA 0.03500 0 0 1.449
GLU HA 0.04800 0 0 1.090
GLU CB -0.18400 0 0 1.525
GLU HB2 0.09200 0 0 1.090
GLU HB3 0.09200 0 0 1.090
GLU CG -0.39800 0 0 1.510
GLU HG2 0.07100 0 0 1.090
GLU HG3 0.07100 0 0 1.090
GLU CD 0.71400 0 0 1.527
GLU OE1 -0.72100 0 0 1.260
GLU OE2 -0.72100 0 0 1.260
GLU C 0.61600 0 0 1.522
GLU O -0.50400 0 0 1.229
GLY DUMM 0.00000 0 0 0.000
GLY DUMM 0.00000 0 0 1.449
GLY DUMM 0.00000 0 0 1.522
GLY N -0.46300 0 0 1.335
GLY H 0.25200 0 0 1.010
GLY CA 0.03500 0 0 1.449
GLY HA2 0.03200 0 0 1.090
GLY HA3 0.03200 0 0 1.090
GLY C 0.61600 0 0 1.522
GLY O -0.50400 0 0 1.229
HB DUMM 0.00000 0 0 0.000
HB DUMM 0.00000 0 0 1.000
HB DUMM 0.00000 0 0 1.000
HB H 0.27900 0 0 1.000
HE DUMM 0.00000 0 0 0.000
HE DUMM 0.00000 0 0 1.000
HE DUMM 0.00000 0 0 1.000
HE H 0.30600 0 0 0.960
HSD DUMM 0.00000 0 0 0.000
HSD DUMM 0.00000 0 0 1.449
HSD DUMM 0.00000 0 0 1.522
HSD N -0.46300 0 0 1.335
HSD H 0.25200 0 0 1.010
HSD CA 0.03500 0 0 1.449
HSD HA 0.04800 0 0 1.090
HSD CB -0.09800 0 0 1.525
HSD HB2 0.03800 0 0 1.090
HSD HB3 0.03800 0 0 1.090
HSD CG -0.03200 0 0 1.510
HSD ND1 -0.14600 0 0 1.390
HSD HD1 0.22800 0 0 1.010
HSD CE1 0.24100 0 0 1.320
HSD HE1 0.03600 0 0 1.090
HSD NE2 -0.50200 0 0 1.310
HSD CD2 0.19500 0 0 1.360
HSD HD2 0.01800 0 0 1.090
HSD C 0.61600 0 0 1.522
HSD O -0.50400 0 0 1.229
HSE DUMM 0.00000 0 0 0.000
HSE DUMM 0.00000 0 0 1.449
HSE DUMM 0.00000 0 0 1.522
HSE N -0.46300 0 0 1.335
HSE H 0.25200 0 0 1.010
HSE CA 0.03500 0 0 1.449
HSE HA 0.04800 0 0 1.090
HSE CB -0.09800 0 0 1.525
HSE HB2 0.03800 0 0 1.090
HSE HB3 0.03800 0 0 1.090
HSE CG 0.25100 0 0 1.510
HSE ND1 -0.50200 0 0 1.390
HSE CE1 0.24100 0 0 1.320
HSE HE1 0.03600 0 0 1.090
HSE NE2 -0.14600 0 0 1.310
HSE HE2 0.22800 0 0 1.010
HSE CD2 -0.18400 0 0 1.360
HSE HD2 0.11400 0 0 1.090
HSE C 0.61600 0 0 1.522
HSE O -0.50400 0 0 1.229
HSP DUMM 0.00000 0 0 0.000
HSP DUMM 0.00000 0 0 1.449
HSP DUMM 0.00000 0 0 1.522
HSP N -0.46300 0 0 1.335
HSP H 0.25200 0 0 1.010
HSP CA 0.03500 0 0 1.449
HSP HA 0.04800 0 0 1.090
HSP CB -0.09800 0 0 1.525
HSP HB2 0.08600 0 0 1.090
HSP HB3 0.08600 0 0 1.090
HSP CG 0.05800 0 0 1.510
HSP ND1 -0.05800 0 0 1.390
HSP HD1 0.30600 0 0 1.010
HSP CE1 0.11400 0 0 1.320
HSP HE1 0.15800 0 0 1.090
HSP NE2 -0.05800 0 0 1.310
HSP HE2 0.30600 0 0 1.010
HSP CD2 -0.03700 0 0 1.360
HSP HD2 0.15300 0 0 1.090
HSP C 0.61600 0 0 1.522
HSP O -0.50400 0 0 1.229
ILE DUMM 0.00000 0 0 0.000
ILE DUMM 0.00000 0 0 1.449
ILE DUMM 0.00000 0 0 1.522
ILE N -0.46300 0 0 1.335
ILE H 0.25200 0 0 1.010
ILE CA 0.03500 0 0 1.449
ILE HA 0.04800 0 0 1.090
ILE CB -0.01200 0 0 1.525
ILE HB 0.02200 0 0 1.090
ILE CG2 -0.08500 0 0 1.525
ILE HG21 0.02900 0 0 1.090
ILE HG22 0.02900 0 0 1.090
ILE HG23 0.02900 0 0 1.090
ILE CG1 -0.04900 0 0 1.525
ILE HG12 0.02700 0 0 1.090
ILE HG13 0.02700 0 0 1.090
ILE CD1 -0.08500 0 0 1.525
ILE HD11 0.02800 0 0 1.090
ILE HD12 0.02800 0 0 1.090
ILE HD13 0.02800 0 0 1.090
ILE C 0.61600 0 0 1.522
ILE O -0.50400 0 0 1.229
LEU DUMM 0.00000 0 0 0.000
LEU DUMM 0.00000 0 0 1.449
LEU DUMM 0.00000 0 0 1.522
LEU N -0.46300 0 0 1.335
LEU H 0.25200 0 0 1.010
LEU CA 0.03500 0 0 1.449
LEU HA 0.04800 0 0 1.090
LEU CB -0.06100 0 0 1.525
LEU HB2 0.03300 0 0 1.090
LEU HB3 0.03300 0 0 1.090
LEU CG -0.01000 0 0 1.525
LEU HG 0.03100 0 0 1.090
LEU CD1 -0.10700 0 0 1.525
LEU HD11 0.03400 0 0 1.090
LEU HD12 0.03400 0 0 1.090
LEU HD13 0.03400 0 0 1.090
LEU CD2 -0.10700 0 0 1.525
LEU HD21 0.03400 0 0 1.090
LEU HD22 0.03400 0 0 1.090
LEU HD23 0.03400 0 0 1.090
LEU C 0.61600 0 0 1.522
LEU O -0.50400 0 0 1.229
LYSP DUMM 0.00000 0 0 0.000
LYSP DUMM 0.00000 0 0 1.449
LYSP DUMM 0.00000 0 0 1.522
LYSP N -0.46300 0 0 1.335
LYSP H 0.25200 0 0 1.010
LYSP CA 0.03500 0 0 1.449
LYSP HA 0.04800 0 0 1.090
LYSP CB -0.09800 0 0 1.525
LYSP HB2 0.03800 0 0 1.090
LYSP HB3 0.03800 0 0 1.090
LYSP CG -0.16000 0 0 1.525
LYSP HG2 0.11600 0 0 1.090
LYSP HG3 0.11600 0 0 1.090
LYSP CD -0.18000 0 0 1.525
LYSP HD2 0.12200 0 0 1.090
LYSP HD3 0.12200 0 0 1.090
LYSP CE -0.03800 0 0 1.525
LYSP HE2 0.09800 0 0 1.090
LYSP HE3 0.09800 0 0 1.090
LYSP NZ -0.13800 0 0 1.470
LYSP HZ1 0.29400 0 0 1.010
LYSP HZ2 0.29400 0 0 1.010
LYSP HZ3 0.29400 0 0 1.010
LYSP C 0.61600 0 0 1.522
LYSP O -0.50400 0 0 1.229
LYS DUMM 0.00000 0 0 0.000
LYS DUMM 0.00000 0 0 1.449
LYS DUMM 0.00000 0 0 1.522
LYS N -0.46300 0 0 1.335
LYS H 0.25200 0 0 1.010
LYS CA 0.03500 0 0 1.449
LYS HA 0.04800 0 0 1.090
LYS CB -0.14200 0 0 1.525
LYS HB2 0.06600 0 0 1.090
LYS HB3 0.06600 0 0 1.090
LYS CG -0.04800 0 0 1.525
LYS HG2 0.02400 0 0 1.090
LYS HG3 0.02400 0 0 1.090
LYS CD -0.06400 0 0 1.525
LYS HD2 0.04000 0 0 1.090
LYS HD3 0.04000 0 0 1.090
LYS CE 0.19600 0 0 1.525
LYS HE2 0.01700 0 0 1.090
LYS HE3 0.01700 0 0 1.090
LYS NZ -0.80000 0 0 1.470
LYS HZ1 0.29000 0 0 1.010
LYS HZ2 0.29000 0 0 1.010
LYS C 0.61600 0 0 1.522
LYS O -0.50400 0 0 1.229
MET DUMM 0.00000 0 0 0.000
MET DUMM 0.00000 0 0 1.449
MET DUMM 0.00000 0 0 1.522
MET N -0.46300 0 0 1.335
MET H 0.25200 0 0 1.010
MET CA 0.03500 0 0 1.449
MET HA 0.04800 0 0 1.090
MET CB -0.15100 0 0 1.525
MET HB2 0.02700 0 0 1.090
MET HB3 0.02700 0 0 1.090
MET CG -0.05400 0 0 1.525
MET HG2 0.06520 0 0 1.090
MET HG3 0.06520 0 0 1.090
MET SD 0.73700 0 0 1.810
MET LP1 -0.38100 0 0 0.679
MET LP2 -0.38100 0 0 0.679
MET CE -0.13400 0 0 1.780
MET HE1 0.06520 0 0 1.090
MET HE2 0.06520 0 0 1.090
MET HE3 0.06520 0 0 1.090
MET C 0.61600 0 0 1.522
MET O -0.50400 0 0 1.229
NME DUMM 0.00000 0 0 0.000
NME DUMM 0.00000 0 0 1.449
NME DUMM 0.00000 0 0 1.522
NME N -0.46300 0 0 1.335
NME H 0.25200 0 0 1.010
NME CT 0.06700 0 0 1.449
NME HT1 0.04800 0 0 1.090
NME HT2 0.04800 0 0 1.090
NME HT3 0.04800 0 0 1.090
NTE DUMM 0 0 0.0000
NTE DUMM 0 0 1.0000
NTE DUMM 0 0 1.0000
NTE N 0 0 1.3350
NTE HN1 0 0 1.0100
NTE HN2 0 0 1.0100
OHB DUMM 0.00000 0 0 0.000
OHB DUMM 0.00000 0 0 1.000
OHB DUMM 0.00000 0 0 1.000
OHB H 0.24300 0 0 1.000
OHB O -0.57700 0 0 0.960
PHE DUMM 0.00000 0 0 0.000
PHE DUMM 0.00000 0 0 1.449
PHE DUMM 0.00000 0 0 1.522
PHE N -0.46300 0 0 1.335
PHE H 0.25200 0 0 1.010
PHE CA 0.03500 0 0 1.449
PHE HA 0.04800 0 0 1.090
PHE CB -0.10000 0 0 1.525
PHE HB2 0.10800 0 0 1.090
PHE HB3 0.10800 0 0 1.090
PHE CG -0.10000 0 0 1.510
PHE CD1 -0.15000 0 0 1.400
PHE HD1 0.15000 0 0 1.090
PHE CE1 -0.15000 0 0 1.400
PHE HE1 0.15000 0 0 1.090
PHE CZ -0.15000 0 0 1.400
PHE HZ 0.15000 0 0 1.090
PHE CE2 -0.15000 0 0 1.400
PHE HE2 0.15000 0 0 1.090
PHE CD2 -0.15000 0 0 1.400
PHE HD2 0.15000 0 0 1.090
PHE C 0.61600 0 0 1.522
PHE O -0.50400 0 0 1.229
PHOD DUMM 0.00000 0 0 0.000
PHOD DUMM 0.00000 0 0 1.000
PHOD DUMM 0.00000 0 0 1.000
PHOD P 1.38500 0 0 1.600
PHOD OA -0.84700 0 0 1.480
PHOD OB -0.84700 0 0 1.480
PHOR DUMM 0.00000 0 0 0.000
PHOR DUMM 0.00000 0 0 1.000
PHOR DUMM 0.00000 0 0 1.000
PHOR P 1.38500 0 0 1.600
PHOR OA -0.84700 0 0 1.480
PHOR OB -0.84700 0 0 1.480
POHE DUMM 0.00000 0 0 0.000
POHE DUMM 0.00000 0 0 1.000
POHE DUMM 0.00000 0 0 1.000
POHE O -0.38000 0 0 1.360
POHE H 0.38000 0 0 0.960
PRO DUMM 0.00000 0 0 0.000
PRO DUMM 0.00000 0 0 1.449
PRO DUMM 0.00000 0 0 1.522
PRO N -0.22900 0 0 1.337
PRO CD -0.01200 0 0 1.458
PRO HD2 0.06000 0 0 1.090
PRO HD3 0.06000 0 0 1.090
PRO CG -0.12100 0 0 1.500
PRO HG2 0.06300 0 0 1.090
PRO HG3 0.06300 0 0 1.090
PRO CB -0.11500 0 0 1.510
PRO HB2 0.06100 0 0 1.090
PRO HB3 0.06100 0 0 1.090
PRO CA 0.03500 0 0 1.451
PRO HA 0.04800 0 0 1.090
PRO C 0.52600 0 0 1.522
PRO O -0.50000 0 0 1.229
RA DUMM 0.00000 0 0 0.000
RA DUMM 0.00000 0 0 1.000
RA DUMM 0.00000 0 0 1.000
RA O5' -0.50900 0 0 1.600
RA C5' 0.18000 0 0 1.440
RA H5'1 0.00800 0 0 1.090
RA H5'2 0.00800 0 0 1.090
RA C4' 0.10000 0 0 1.520
RA H4' 0.06100 0 0 1.090
RA O1' -0.34300 0 0 1.460
RA C1' 0.11700 0 0 1.420
RA H1' 0.05400 0 0 1.090
RA N9 -0.07300 0 0 1.520
RA C8 0.26300 0 0 1.370
RA H8 0.06200 0 0 1.080
RA N7 -0.54300 0 0 1.300
RA C5 -0.09700 0 0 1.390
RA C6 0.76900 0 0 1.400
RA N6 -0.76800 0 0 1.340
RA H61 0.32400 0 0 1.010
RA H62 0.33500 0 0 1.010
RA N1 -0.77400 0 0 1.340
RA C2 0.66100 0 0 1.330
RA H2 -0.03200 0 0 1.080
RA N3 -0.72800 0 0 1.320
RA C4 0.54600 0 0 1.350
RA C3' 0.30300 0 0 1.530
RA H3' 0.00700 0 0 1.090
RA C2' 0.10100 0 0 1.530
RA H2' 0.00800 0 0 1.090
RA O2' -0.54600 0 0 1.430
RA HO2' 0.32400 0 0 0.960
RA O3' -0.50900 0 0 1.420
RC DUMM 0.00000 0 0 0.000
RC DUMM 0.00000 0 0 1.000
RC DUMM 0.00000 0 0 1.000
RC O5' -0.50900 0 0 1.600
RC C5' 0.18000 0 0 1.440
RC H5'1 0.00800 0 0 1.090
RC H5'2 0.00800 0 0 1.090
RC C4' 0.10000 0 0 1.520
RC H4' 0.06100 0 0 1.090
RC O1' -0.34300 0 0 1.460
RC C1' 0.11700 0 0 1.420
RC H1' 0.05400 0 0 1.090
RC N1 -0.18700 0 0 1.490
RC C6 0.18500 0 0 1.360
RC H6 0.09800 0 0 1.080
RC C5 -0.57600 0 0 1.360
RC H5 0.15300 0 0 1.090
RC C4 0.93500 0 0 1.430
RC N4 -0.83400 0 0 1.320
RC H41 0.32900 0 0 1.010
RC H42 0.35100 0 0 1.010
RC N3 -0.86000 0 0 1.330
RC C2 0.85900 0 0 1.360
RC O2 -0.50800 0 0 1.240
RC C3' 0.30300 0 0 1.530
RC H3' 0.00700 0 0 1.090
RC C2' 0.10100 0 0 1.530
RC H2' 0.00800 0 0 1.090
RC O2' -0.54600 0 0 1.430
RC HO2' 0.32400 0 0 0.960
RC O3' -0.50900 0 0 1.420
RG DUMM 0.00000 0 0 0.000
RG DUMM 0.00000 0 0 1.000
RG DUMM 0.00000 0 0 1.000
RG O5' -0.50900 0 0 1.600
RG C5' 0.18000 0 0 1.440
RG H5'1 0.00800 0 0 1.090
RG H5'2 0.00800 0 0 1.090
RG C4' 0.10000 0 0 1.520
RG H4' 0.06100 0 0 1.090
RG O1' -0.34300 0 0 1.460
RG C1' 0.11700 0 0 1.420
RG H1' 0.05400 0 0 1.090
RG N9 -0.04200 0 0 1.490
RG C8 0.26600 0 0 1.380
RG H8 0.04600 0 0 1.080
RG N7 -0.54300 0 0 1.310
RG C5 -0.06000 0 0 1.390
RG C6 0.69000 0 0 1.420
RG O6 -0.45800 0 0 1.230
RG N1 -0.72900 0 0 1.400
RG H1 0.33600 0 0 1.000
RG C2 0.87100 0 0 1.380
RG N2 -0.77800 0 0 1.340
RG H21 0.32500 0 0 1.010
RG H22 0.33900 0 0 1.010
RG N3 -0.70900 0 0 1.330
RG C4 0.39100 0 0 1.360
RG C3' 0.30300 0 0 1.530
RG H3' 0.00700 0 0 1.090
RG C2' 0.10100 0 0 1.530
RG H2' 0.00800 0 0 1.090
RG O2' -0.54600 0 0 1.430
RG HO2' 0.32400 0 0 0.960
RG O3' -0.50900 0 0 1.420
ROHE DUMM 0.00000 0 0 0.000
ROHE DUMM 0.00000 0 0 1.000
ROHE DUMM 0.00000 0 0 1.000
ROHE O -0.62100 0 0 1.600
ROHE H 0.22600 0 0 0.960
RU DUMM 0.00000 0 0 0.000
RU DUMM 0.00000 0 0 1.000
RU DUMM 0.00000 0 0 1.000
RU O5' -0.50900 0 0 1.600
RU C5' 0.18000 0 0 1.440
RU H5'1 0.00800 0 0 1.090
RU H5'2 0.00800 0 0 1.090
RU C4' 0.10000 0 0 1.520
RU H4' 0.06100 0 0 1.090
RU O1' -0.34300 0 0 1.460
RU C1' 0.11700 0 0 1.420
RU H1' 0.05400 0 0 1.090
RU N1 -0.15900 0 0 1.530
RU C6 0.16000 0 0 1.370
RU H6 0.09800 0 0 1.080
RU C5 -0.52900 0 0 1.340
RU H5 0.14600 0 0 1.090
RU C4 0.83400 0 0 1.440
RU O4 -0.47400 0 0 1.230
RU N3 -0.76800 0 0 1.380
RU H3 0.33400 0 0 1.090
RU C2 0.77500 0 0 1.380
RU O2 -0.47200 0 0 1.220
RU C3' 0.30300 0 0 1.530
RU H3' 0.00700 0 0 1.090
RU C2' 0.10100 0 0 1.530
RU H2' 0.00800 0 0 1.090
RU O2' -0.54600 0 0 1.430
RU HO2' 0.32400 0 0 0.960
RU O3' -0.50900 0 0 1.420
SER DUMM 0.00000 0 0 0.000
SER DUMM 0.00000 0 0 1.449
SER DUMM 0.00000 0 0 1.522
SER N -0.46300 0 0 1.335
SER H 0.25200 0 0 1.010
SER CA 0.03500 0 0 1.449
SER HA 0.04800 0 0 1.090
SER CB 0.01800 0 0 1.525
SER HB2 0.11900 0 0 1.090
SER HB3 0.11900 0 0 1.090
SER OG -0.55000 0 0 1.430
SER HG 0.31000 0 0 0.960
SER C 0.61600 0 0 1.522
SER O -0.50400 0 0 1.229
THR DUMM 0.00000 0 0 0.000
THR DUMM 0.00000 0 0 1.449
THR DUMM 0.00000 0 0 1.522
THR N -0.46300 0 0 1.335
THR H 0.25200 0 0 1.010
THR CA 0.03500 0 0 1.449
THR HA 0.04800 0 0 1.090
THR CB 0.17000 0 0 1.525
THR HB 0.08200 0 0 1.090
THR CG2 -0.19100 0 0 1.525
THR HG21 0.06500 0 0 1.090
THR HG22 0.06500 0 0 1.090
THR HG23 0.06500 0 0 1.090
THR OG1 -0.55000 0 0 1.430
THR HG1 0.31000 0 0 0.960
THR C 0.61600 0 0 1.522
THR O -0.50400 0 0 1.229
TRP DUMM 0.00000 0 0 0.000
TRP DUMM 0.00000 0 0 1.449
TRP DUMM 0.00000 0 0 1.522
TRP N -0.46300 0 0 1.335
TRP H 0.25200 0 0 1.010
TRP CA 0.03500 0 0 1.449
TRP HA 0.04800 0 0 1.090
TRP CB -0.09800 0 0 1.525
TRP HB2 0.03800 0 0 1.090
TRP HB3 0.03800 0 0 1.090
TRP CG -0.13500 0 0 1.510
TRP CD1 0.04400 0 0 1.340
TRP HD1 0.09300 0 0 1.090
TRP NE1 -0.35200 0 0 1.430
TRP HE1 0.27100 0 0 1.010
TRP CE2 0.15400 0 0 1.310
TRP CZ2 -0.16800 0 0 1.400
TRP HZ2 0.08400 0 0 1.090
TRP CH2 -0.07700 0 0 1.390
TRP HH2 0.07400 0 0 1.090
TRP CZ3 -0.06600 0 0 1.350
TRP HZ3 0.05700 0 0 1.090
TRP CE3 -0.17300 0 0 1.410
TRP HE3 0.08600 0 0 1.090
TRP CD2 0.14600 0 0 1.400
TRP C 0.61600 0 0 1.522
TRP O -0.50400 0 0 1.229
TYR DUMM 0.00000 0 0 0.000
TYR DUMM 0.00000 0 0 1.449
TYR DUMM 0.00000 0 0 1.522
TYR N -0.46300 0 0 1.335
TYR H 0.25200 0 0 1.010
TYR CA 0.03500 0 0 1.449
TYR HA 0.04800 0 0 1.090
TYR CB -0.09800 0 0 1.525
TYR HB2 0.03800 0 0 1.090
TYR HB3 0.03800 0 0 1.090
TYR CG -0.03000 0 0 1.510
TYR CD1 -0.00200 0 0 1.400
TYR HD1 0.06400 0 0 1.090
TYR CE1 -0.26400 0 0 1.400
TYR HE1 0.10200 0 0 1.090
TYR CZ 0.46200 0 0 1.400
TYR OH -0.52800 0 0 1.360
TYR HH 0.33400 0 0 0.960
TYR CE2 -0.26400 0 0 1.400
TYR HE2 0.10200 0 0 1.090
TYR CD2 -0.00200 0 0 1.400
TYR HD2 0.06400 0 0 1.090
TYR C 0.61600 0 0 1.522
TYR O -0.50400 0 0 1.229
VAL DUMM 0.00000 0 0 0.000
VAL DUMM 0.00000 0 0 1.449
VAL DUMM 0.00000 0 0 1.522
VAL N -0.46300 0 0 1.335
VAL H 0.25200 0 0 1.010
VAL CA 0.03500 0 0 1.449
VAL HA 0.04800 0 0 1.090
VAL CB -0.01200 0 0 1.525
VAL HB 0.02400 0 0 1.090
VAL CG1 -0.09100 0 0 1.525
VAL HG11 0.03100 0 0 1.090
VAL HG12 0.03100 0 0 1.090
VAL HG13 0.03100 0 0 1.090
VAL CG2 -0.09100 0 0 1.525
VAL HG21 0.03100 0 0 1.090
VAL HG22 0.03100 0 0 1.090
VAL HG23 0.03100 0 0 1.090
VAL C 0.61600 0 0 1.522
VAL O -0.50400 0 0 1.229
WT3 DUMM 0.00000 0 0 0.000
WT3 DUMM 0.00000 0 0 1.000
WT3 DUMM 0.00000 0 0 1.000
WT3 HW1 0.41700 0 0 1.000
WT3 OW -0.83400 0 0 0.9572
WT3 HW2 0.41700 0 0 0.9572
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