NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
623082 |
5oe1   |
34159 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: pa8_wat2.rest
#
# 2 DG H1 23 DC N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 49, 718, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 2 DG H22 23 DC O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 53, 720, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, /
#
# 2 DG N1 23 DC N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 48, 718, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, /
#
# 2 DG O6 23 DC H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 717, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, /
#
# 2 DG O6 23 DC N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 47, 715, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, /
#
# 3 DA H61 22 DT O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 81, 686, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, /
#
# 3 DA N1 22 DT H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 83, 688, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, /
#
# 3 DA N1 22 DT N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 83, 687, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, /
# distance restraint # 1
&rst
iresid = 1, iat = 1, 1, atnam(1) = 'H6', atnam(2) = 'H1''',
r1 = 0.860, r2 = 2.860, r3 = 2.870, r4 = 4.870,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 2
&rst
iresid = 1, iat = 2, 1, atnam(1) = 'H8', atnam(2) = 'H6',
r1 = 0.080, r2 = 2.080, r3 = 2.090, r4 = 4.090,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 3
&rst
iresid = 1, iat = 2, 1, atnam(1) = 'H8', atnam(2) = 'H2''',
r1 = 1.510, r2 = 3.510, r3 = 3.560, r4 = 5.560,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 4
&rst
iresid = 1, iat = 2, 2, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.070, r2 = 3.070, r3 = 3.090, r4 = 5.090,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 5
&rst
iresid = 1, iat = 3, 2, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.120, r2 = 3.120, r3 = 3.140, r4 = 5.140,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 6
&rst
iresid = 1, iat = 3, 2, atnam(1) = 'H8', atnam(2) = 'H8',
r1 = 1.470, r2 = 3.470, r3 = 3.500, r4 = 5.500,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 7
&rst
iresid = 1, iat = 3, 3, atnam(1) = 'H8', atnam(2) = 'H4''',
r1 = 1.670, r2 = 3.670, r3 = 3.720, r4 = 5.720,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 8
&rst
iresid = 1, iat = 3, 3, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.070, r2 = 3.070, r3 = 3.080, r4 = 5.080,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 9
&rst
iresid = 1, iat = 3, 2, atnam(1) = 'H2', atnam(2) = 'H1',
r1 = 2.520, r2 = 4.520, r3 = 4.730, r4 = 6.730,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 10
&rst
iresid = 1, iat = 3, 3, atnam(1) = 'H3''', atnam(2) = 'H8',
r1 = 1.020, r2 = 3.020, r3 = 3.040, r4 = 5.040,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 11
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H4''',
r1 = 2.450, r2 = 4.450, r3 = 4.640, r4 = 6.640,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 12
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H1''',
r1 = 1.170, r2 = 3.170, r3 = 3.180, r4 = 5.180,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 13
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H8',
r1 = 1.510, r2 = 3.510, r3 = 3.550, r4 = 5.550,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 14
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H3''',
r1 = 1.660, r2 = 3.660, r3 = 3.710, r4 = 5.710,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 15
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H2''',
r1 = 0.950, r2 = 2.950, r3 = 2.960, r4 = 4.960,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 16
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H2''''',
r1 = 0.760, r2 = 2.760, r3 = 2.770, r4 = 4.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 17
&rst
iresid = 1, iat = -1, 2, atnam(2) = 'H1''',
igr1 = 4, 4, 4,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 2.990, r2 = 4.990, r3 = 5.150, r4 = 7.150,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 18
&rst
iresid = 1, iat = -1, 3, atnam(2) = 'H8',
igr1 = 4, 4, 4,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.080, r2 = 3.080, r3 = 3.090, r4 = 5.090,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 19
&rst
iresid = 1, iat = 4, -1, atnam(1) = 'H3',
igr2 = 4, 4, 4,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.560, r2 = 4.560, r3 = 4.660, r4 = 6.660,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 20
&rst
iresid = 1, iat = 4, 3, atnam(1) = 'H3''', atnam(2) = 'H1''',
r1 = 1.620, r2 = 3.620, r3 = 3.670, r4 = 5.670,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 21
&rst
iresid = 1, iat = 4, 4, atnam(1) = 'H3''', atnam(2) = 'H6',
r1 = 0.960, r2 = 2.960, r3 = 2.970, r4 = 4.970,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 22
&rst
iresid = 1, iat = 5, -1, atnam(1) = 'H8',
igr2 = 4, 4, 4,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.520, r2 = 4.520, r3 = 4.610, r4 = 6.610,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 23
&rst
iresid = 1, iat = 5, 5, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.050, r2 = 3.050, r3 = 3.060, r4 = 5.060,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 24
&rst
iresid = 1, iat = 5, 4, atnam(1) = 'H1', atnam(2) = 'H3',
r1 = 1.970, r2 = 3.970, r3 = 4.070, r4 = 6.070,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 25
&rst
iresid = 1, iat = 5, 5, atnam(1) = 'H22', atnam(2) = 'H1''',
r1 = 1.820, r2 = 3.820, r3 = 3.920, r4 = 5.920,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 26
&rst
iresid = 1, iat = 6, 5, atnam(1) = 'H4''', atnam(2) = 'H1''',
r1 = 1.730, r2 = 3.730, r3 = 3.800, r4 = 5.800,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 27
&rst
iresid = 1, iat = 6, 6, atnam(1) = 'H1''', atnam(2) = 'H4''',
r1 = 0.710, r2 = 2.710, r3 = 2.720, r4 = 4.720,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 28
&rst
iresid = 1, iat = 6, 5, atnam(1) = 'H6', atnam(2) = 'H4''',
r1 = 2.230, r2 = 4.230, r3 = 4.380, r4 = 6.380,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 29
&rst
iresid = 1, iat = 6, 5, atnam(1) = 'H6', atnam(2) = 'H1''',
r1 = 1.170, r2 = 3.170, r3 = 3.200, r4 = 5.200,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 30
&rst
iresid = 1, iat = -1, 5, atnam(2) = 'H1''',
igr1 = 6, 6, 6,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.610, r2 = 3.610, r3 = 3.630, r4 = 5.630,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 31
&rst
iresid = 1, iat = -1, 5, atnam(2) = 'H8',
igr1 = 6, 6, 6,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.480, r2 = 3.480, r3 = 3.490, r4 = 5.490,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 32
&rst
iresid = 1, iat = -1, 5, atnam(2) = 'H3''',
igr1 = 6, 6, 6,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.810, r2 = 3.810, r3 = 3.830, r4 = 5.830,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 33
&rst
iresid = 1, iat = -1, 6, atnam(2) = 'H1''',
igr1 = 6, 6, 6,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 2.470, r2 = 4.470, r3 = 4.590, r4 = 6.590,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 34
&rst
iresid = 1, iat = 6, 5, atnam(1) = 'H3', atnam(2) = 'H1',
r1 = 1.490, r2 = 3.490, r3 = 3.530, r4 = 5.530,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 35
&rst
iresid = 1, iat = 6, 5, atnam(1) = 'H3', atnam(2) = 'H22',
r1 = 1.820, r2 = 3.820, r3 = 3.920, r4 = 5.920,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 36
&rst
iresid = 1, iat = 6, 6, atnam(1) = 'H3', atnam(2) = 'H1''',
r1 = 2.220, r2 = 4.220, r3 = 4.370, r4 = 6.370,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 37
&rst
iresid = 1, iat = 6, -1, atnam(1) = 'H3',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.500, r2 = 4.500, r3 = 4.600, r4 = 6.600,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 38
&rst
iresid = 1, iat = 6, 5, atnam(1) = 'H3''', atnam(2) = 'H1''',
r1 = 2.110, r2 = 4.110, r3 = 4.240, r4 = 6.240,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 39
&rst
iresid = 1, iat = 6, -1, atnam(1) = 'H3''',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.590, r2 = 4.590, r3 = 4.680, r4 = 6.680,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 40
&rst
iresid = 1, iat = 6, -1, atnam(1) = 'H2''',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 1.580, r2 = 3.580, r3 = 3.600, r4 = 5.600,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 41
&rst
iresid = 1, iat = 7, 6, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.090, r2 = 3.090, r3 = 3.110, r4 = 5.110,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 42
&rst
iresid = 1, iat = 7, -1, atnam(1) = 'H8',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.770, r2 = 4.770, r3 = 4.930, r4 = 6.930,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 43
&rst
iresid = 1, iat = 7, -1, atnam(1) = 'H62',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 1.780, r2 = 3.780, r3 = 3.800, r4 = 5.800,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 44
&rst
iresid = 1, iat = 7, 6, atnam(1) = 'H62', atnam(2) = 'H3',
r1 = 1.210, r2 = 3.210, r3 = 3.230, r4 = 5.230,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 45
&rst
iresid = 1, iat = 9, 9, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.090, r2 = 3.090, r3 = 3.110, r4 = 5.110,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 46
&rst
iresid = 1, iat = 10, 9, atnam(1) = 'H1''', atnam(2) = 'H2',
r1 = 1.540, r2 = 3.540, r3 = 3.590, r4 = 5.590,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 47
&rst
iresid = 1, iat = -1, 9, atnam(2) = 'H2',
igr1 = 10, 10, 10,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 3.040, r2 = 5.040, r3 = 5.290, r4 = 7.290,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 48
&rst
iresid = 1, iat = 10, -1, atnam(1) = 'H3''',
igr2 = 10, 10, 10,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.560, r2 = 4.560, r3 = 4.650, r4 = 6.650,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 49
&rst
iresid = 1, iat = 11, -1, atnam(1) = 'H6',
igr2 = 10, 10, 10,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.800, r2 = 4.800, r3 = 4.950, r4 = 6.950,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 50
&rst
iresid = 1, iat = 11, 11, atnam(1) = 'H42', atnam(2) = 'H6',
r1 = 1.730, r2 = 3.730, r3 = 3.820, r4 = 5.820,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 51
&rst
iresid = 1, iat = 11, 11, atnam(1) = 'H3''', atnam(2) = 'H6',
r1 = 0.040, r2 = 2.040, r3 = 2.040, r4 = 4.040,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 52
&rst
iresid = 1, iat = 11, 11, atnam(1) = 'H2''', atnam(2) = 'H5',
r1 = 1.110, r2 = 3.110, r3 = 3.130, r4 = 5.130,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 53
&rst
iresid = 1, iat = 13, 13, atnam(1) = 'H6', atnam(2) = 'H4''',
r1 = 1.620, r2 = 3.620, r3 = 3.660, r4 = 5.660,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 54
&rst
iresid = 1, iat = 13, 13, atnam(1) = 'H6', atnam(2) = 'H1''',
r1 = 0.980, r2 = 2.980, r3 = 2.990, r4 = 4.990,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 55
&rst
iresid = 1, iat = 13, 13, atnam(1) = 'H3''', atnam(2) = 'H6',
r1 = 1.140, r2 = 3.140, r3 = 3.150, r4 = 5.150,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 56
&rst
iresid = 1, iat = 13, 13, atnam(1) = 'H2''', atnam(2) = 'H6',
r1 = 0.410, r2 = 2.410, r3 = 2.420, r4 = 4.420,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 57
&rst
iresid = 1, iat = 13, 13, atnam(1) = 'H2''', atnam(2) = 'H5',
r1 = 1.300, r2 = 3.300, r3 = 3.330, r4 = 5.330,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 58
&rst
iresid = 1, iat = 13, 13, atnam(1) = 'H2''''', atnam(2) = 'H6',
r1 = 1.120, r2 = 3.120, r3 = 3.140, r4 = 5.140,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 59
&rst
iresid = 1, iat = 14, 14, atnam(1) = 'H1''', atnam(2) = 'H4''',
r1 = 1.020, r2 = 3.020, r3 = 3.040, r4 = 5.040,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 60
&rst
iresid = 1, iat = 14, 13, atnam(1) = 'H8', atnam(2) = 'H6',
r1 = 1.650, r2 = 3.650, r3 = 3.690, r4 = 5.690,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 61
&rst
iresid = 1, iat = 14, 13, atnam(1) = 'H8', atnam(2) = 'H2''',
r1 = 0.930, r2 = 2.930, r3 = 2.950, r4 = 4.950,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 62
&rst
iresid = 1, iat = 15, 14, atnam(1) = 'H8', atnam(2) = 'H4''',
r1 = 2.040, r2 = 4.040, r3 = 4.150, r4 = 6.150,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 63
&rst
iresid = 1, iat = 15, 14, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 0.930, r2 = 2.930, r3 = 2.940, r4 = 4.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 64
&rst
iresid = 1, iat = 15, 14, atnam(1) = 'H8', atnam(2) = 'H8',
r1 = 1.570, r2 = 3.570, r3 = 3.610, r4 = 5.610,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 65
&rst
iresid = 1, iat = 15, 15, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 0.940, r2 = 2.940, r3 = 2.950, r4 = 4.950,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 66
&rst
iresid = 1, iat = 15, 14, atnam(1) = 'H2', atnam(2) = 'H1',
r1 = 2.230, r2 = 4.230, r3 = 4.340, r4 = 6.340,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 67
&rst
iresid = 1, iat = 15, 15, atnam(1) = 'H3''', atnam(2) = 'H8',
r1 = 1.020, r2 = 3.020, r3 = 3.030, r4 = 5.030,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 68
&rst
iresid = 1, iat = 16, 15, atnam(1) = 'H1''', atnam(2) = 'H2',
r1 = 1.670, r2 = 3.670, r3 = 3.710, r4 = 5.710,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 69
&rst
iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H4''',
r1 = 2.580, r2 = 4.580, r3 = 4.850, r4 = 6.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 70
&rst
iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H1''',
r1 = 1.160, r2 = 3.160, r3 = 3.170, r4 = 5.170,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 71
&rst
iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H8',
r1 = 1.480, r2 = 3.480, r3 = 3.520, r4 = 5.520,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 72
&rst
iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H3''',
r1 = 1.700, r2 = 3.700, r3 = 3.750, r4 = 5.750,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 73
&rst
iresid = 1, iat = 16, 16, atnam(1) = 'H6', atnam(2) = 'H4''',
r1 = 1.850, r2 = 3.850, r3 = 3.910, r4 = 5.910,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 74
&rst
iresid = 1, iat = 16, 8, atnam(1) = 'H3', atnam(2) = 'H41',
r1 = 1.570, r2 = 3.570, r3 = 3.610, r4 = 5.610,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 75
&rst
iresid = 1, iat = 16, 8, atnam(1) = 'H3', atnam(2) = 'H42',
r1 = 1.750, r2 = 3.750, r3 = 3.820, r4 = 5.820,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 76
&rst
iresid = 1, iat = 16, -1, atnam(1) = 'H3',
igr2 = 16, 16, 16,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.360, r2 = 4.360, r3 = 4.450, r4 = 6.450,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 77
&rst
iresid = 1, iat = 16, 16, atnam(1) = 'H3''', atnam(2) = 'H6',
r1 = 1.020, r2 = 3.020, r3 = 3.030, r4 = 5.030,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 78
&rst
iresid = 1, iat = 16, -1, atnam(1) = 'H3''',
igr2 = 16, 16, 16,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.570, r2 = 4.570, r3 = 4.650, r4 = 6.650,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 79
&rst
iresid = 1, iat = 17, 17, atnam(1) = 'H1''', atnam(2) = 'H4''',
r1 = 1.870, r2 = 3.870, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 80
&rst
iresid = 1, iat = 17, 7, atnam(1) = 'H1', atnam(2) = 'H62',
r1 = 1.530, r2 = 3.530, r3 = 3.580, r4 = 5.580,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 81
&rst
iresid = 1, iat = 17, 7, atnam(1) = 'H1', atnam(2) = 'H2',
r1 = 1.820, r2 = 3.820, r3 = 3.890, r4 = 5.890,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 82
&rst
iresid = 1, iat = 17, 8, atnam(1) = 'H1', atnam(2) = 'H5',
r1 = 1.870, r2 = 3.870, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 83
&rst
iresid = 1, iat = 17, 8, atnam(1) = 'H1', atnam(2) = 'H41',
r1 = 0.760, r2 = 2.760, r3 = 2.770, r4 = 4.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 84
&rst
iresid = 1, iat = 17, 9, atnam(1) = 'H1', atnam(2) = 'H2',
r1 = 1.240, r2 = 3.240, r3 = 3.260, r4 = 5.260,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 85
&rst
iresid = 1, iat = 17, 16, atnam(1) = 'H1', atnam(2) = 'H3',
r1 = 1.880, r2 = 3.880, r3 = 3.930, r4 = 5.930,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 86
&rst
iresid = 1, iat = 17, 7, atnam(1) = 'H21', atnam(2) = 'H2',
r1 = 1.320, r2 = 3.320, r3 = 3.350, r4 = 5.350,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 87
&rst
iresid = 1, iat = 17, 9, atnam(1) = 'H21', atnam(2) = 'H2',
r1 = 1.880, r2 = 3.880, r3 = 4.000, r4 = 6.000,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 88
&rst
iresid = 1, iat = 17, 17, atnam(1) = 'H21', atnam(2) = 'H1',
r1 = 0.780, r2 = 2.780, r3 = 2.790, r4 = 4.790,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 89
&rst
iresid = 1, iat = 17, 7, atnam(1) = 'H22', atnam(2) = 'H2',
r1 = 1.830, r2 = 3.830, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 90
&rst
iresid = 1, iat = 17, 9, atnam(1) = 'H22', atnam(2) = 'H2',
r1 = 1.730, r2 = 3.730, r3 = 3.810, r4 = 5.810,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 91
&rst
iresid = 1, iat = 17, 17, atnam(1) = 'H22', atnam(2) = 'H1''',
r1 = 1.820, r2 = 3.820, r3 = 3.920, r4 = 5.920,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 92
&rst
iresid = 1, iat = 17, 17, atnam(1) = 'H22', atnam(2) = 'H1',
r1 = 0.940, r2 = 2.940, r3 = 2.950, r4 = 4.950,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 93
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H4''', atnam(2) = 'H4''',
r1 = 2.100, r2 = 4.100, r3 = 4.200, r4 = 6.200,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 94
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H1''', atnam(2) = 'H1''',
r1 = 2.090, r2 = 4.090, r3 = 4.210, r4 = 6.210,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 95
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H1''', atnam(2) = 'H21',
r1 = 2.190, r2 = 4.190, r3 = 4.400, r4 = 6.400,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 96
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H1''', atnam(2) = 'H22',
r1 = 1.850, r2 = 3.850, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 97
&rst
iresid = 1, iat = 18, 18, atnam(1) = 'H1''', atnam(2) = 'H4''',
r1 = 0.780, r2 = 2.780, r3 = 2.780, r4 = 4.780,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 98
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H6', atnam(2) = 'H4''',
r1 = 2.090, r2 = 4.090, r3 = 4.200, r4 = 6.200,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 99
&rst
iresid = 1, iat = 18, 18, atnam(1) = 'H6', atnam(2) = 'H1''',
r1 = 1.030, r2 = 3.030, r3 = 3.040, r4 = 5.040,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 100
&rst
iresid = 1, iat = -1, 6, atnam(2) = 'H3',
igr1 = 18, 18, 18,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 3.040, r2 = 5.040, r3 = 5.200, r4 = 7.200,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 101
&rst
iresid = 1, iat = -1, 17, atnam(2) = 'H1''',
igr1 = 18, 18, 18,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.540, r2 = 3.540, r3 = 3.550, r4 = 5.550,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 102
&rst
iresid = 1, iat = -1, 17, atnam(2) = 'H8',
igr1 = 18, 18, 18,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.390, r2 = 3.390, r3 = 3.390, r4 = 5.390,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 103
&rst
iresid = 1, iat = -1, 17, atnam(2) = 'H3''',
igr1 = 18, 18, 18,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 1.860, r2 = 3.860, r3 = 3.880, r4 = 5.880,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 104
&rst
iresid = 1, iat = 18, -1, atnam(1) = 'H3',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 3.220, r2 = 5.220, r3 = 5.420, r4 = 7.420,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 105
&rst
iresid = 1, iat = 18, 6, atnam(1) = 'H3', atnam(2) = 'H3',
r1 = 1.740, r2 = 3.740, r3 = 3.790, r4 = 5.790,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 106
&rst
iresid = 1, iat = 18, 8, atnam(1) = 'H3', atnam(2) = 'H41',
r1 = 2.400, r2 = 4.400, r3 = 4.650, r4 = 6.650,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 107
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H3', atnam(2) = 'H22',
r1 = 1.880, r2 = 3.880, r3 = 3.960, r4 = 5.960,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 108
&rst
iresid = 1, iat = 18, 18, atnam(1) = 'H3', atnam(2) = 'H1''',
r1 = 2.300, r2 = 4.300, r3 = 4.450, r4 = 6.450,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 109
&rst
iresid = 1, iat = 18, -1, atnam(1) = 'H3',
igr2 = 18, 18, 18,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.370, r2 = 4.370, r3 = 4.460, r4 = 6.460,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 110
&rst
iresid = 1, iat = 18, 17, atnam(1) = 'H3''', atnam(2) = 'H1''',
r1 = 2.410, r2 = 4.410, r3 = 4.610, r4 = 6.610,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 111
&rst
iresid = 1, iat = 19, 18, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.140, r2 = 3.140, r3 = 3.160, r4 = 5.160,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 112
&rst
iresid = 1, iat = 19, 6, atnam(1) = 'H61', atnam(2) = 'H3',
r1 = 1.200, r2 = 3.200, r3 = 3.220, r4 = 5.220,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 113
&rst
iresid = 1, iat = 19, 5, atnam(1) = 'H62', atnam(2) = 'H1',
r1 = 1.660, r2 = 3.660, r3 = 3.720, r4 = 5.720,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 114
&rst
iresid = 1, iat = 19, 6, atnam(1) = 'H62', atnam(2) = 'H3',
r1 = 0.910, r2 = 2.910, r3 = 2.920, r4 = 4.920,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 115
&rst
iresid = 1, iat = 20, 5, atnam(1) = 'H41', atnam(2) = 'H1',
r1 = 0.780, r2 = 2.780, r3 = 2.790, r4 = 4.790,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 116
&rst
iresid = 1, iat = 20, 5, atnam(1) = 'H41', atnam(2) = 'H21',
r1 = 1.780, r2 = 3.780, r3 = 3.890, r4 = 5.890,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 117
&rst
iresid = 1, iat = 20, 5, atnam(1) = 'H42', atnam(2) = 'H1',
r1 = 1.270, r2 = 3.270, r3 = 3.290, r4 = 5.290,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 118
&rst
iresid = 1, iat = 21, 5, atnam(1) = 'H1''', atnam(2) = 'H22',
r1 = 1.950, r2 = 3.950, r3 = 4.060, r4 = 6.060,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 119
&rst
iresid = 1, iat = 21, 4, atnam(1) = 'H2', atnam(2) = 'H3',
r1 = 0.660, r2 = 2.660, r3 = 2.660, r4 = 4.660,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 120
&rst
iresid = 1, iat = 21, 5, atnam(1) = 'H2', atnam(2) = 'H1''',
r1 = 2.090, r2 = 4.090, r3 = 4.240, r4 = 6.240,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 121
&rst
iresid = 1, iat = 21, 5, atnam(1) = 'H2', atnam(2) = 'H1',
r1 = 1.360, r2 = 3.360, r3 = 3.390, r4 = 5.390,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 122
&rst
iresid = 1, iat = 21, 21, atnam(1) = 'H2''''', atnam(2) = 'H1''',
r1 = 0.750, r2 = 2.750, r3 = 2.760, r4 = 4.760,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 123
&rst
iresid = 1, iat = -1, 21, atnam(2) = 'H3''',
igr1 = 22, 22, 22,
grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73',
r1 = 2.120, r2 = 4.120, r3 = 4.140, r4 = 6.140,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 124
&rst
iresid = 1, iat = 23, 23, atnam(1) = 'H1''', atnam(2) = 'H4''',
r1 = 1.160, r2 = 3.160, r3 = 3.180, r4 = 5.180,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 125
&rst
iresid = 1, iat = 23, 2, atnam(1) = 'H41', atnam(2) = 'H1',
r1 = 1.810, r2 = 3.810, r3 = 3.870, r4 = 5.870,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 126
&rst
iresid = 1, iat = 23, 23, atnam(1) = 'H3''', atnam(2) = 'H6',
r1 = 1.240, r2 = 3.240, r3 = 3.260, r4 = 5.260,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 127
&rst
iresid = 1, iat = 24, 23, atnam(1) = 'H8', atnam(2) = 'H1''',
r1 = 1.420, r2 = 3.420, r3 = 3.450, r4 = 5.450,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 128
&rst
iresid = 1, iat = 24, 23, atnam(1) = 'H8', atnam(2) = 'H6',
r1 = 1.740, r2 = 3.740, r3 = 3.790, r4 = 5.790,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 129
&rst
iresid = 1, iat = 24, 23, atnam(1) = 'H8', atnam(2) = 'H3''',
r1 = 2.020, r2 = 4.020, r3 = 4.120, r4 = 6.120,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 130
&rst
iresid = 1, iat = 25, 4, atnam(1) = 'HN02', atnam(2) = 'H1''',
r1 = 0.760, r2 = 2.760, r3 = 2.770, r4 = 4.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 131
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'HN03', atnam(2) = 'H1',
r1 = 2.610, r2 = 4.610, r3 = 4.940, r4 = 6.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 132
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'HN03', atnam(2) = 'H22',
r1 = 2.200, r2 = 4.200, r3 = 4.350, r4 = 6.350,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 133
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'HN03', atnam(2) = 'H1''',
r1 = 1.150, r2 = 3.150, r3 = 3.170, r4 = 5.170,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 134
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'HN03', atnam(2) = 'H2',
r1 = 1.230, r2 = 3.230, r3 = 3.250, r4 = 5.250,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 135
&rst
iresid = 1, iat = 25, 22, atnam(1) = 'HN03', atnam(2) = 'H1''',
r1 = 1.700, r2 = 3.700, r3 = 3.750, r4 = 5.750,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 136
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H13', atnam(2) = 'H1',
r1 = 1.150, r2 = 3.150, r3 = 3.170, r4 = 5.170,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 137
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'H13', atnam(2) = 'H1''',
r1 = 0.730, r2 = 2.730, r3 = 2.740, r4 = 4.740,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 138
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'H13', atnam(2) = 'H2',
r1 = 1.230, r2 = 3.230, r3 = 3.250, r4 = 5.250,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 139
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'H13', atnam(2) = 'H2''''',
r1 = 1.290, r2 = 3.290, r3 = 3.320, r4 = 5.320,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 140
&rst
iresid = 1, iat = 25, 22, atnam(1) = 'H13', atnam(2) = 'H6',
r1 = 2.330, r2 = 4.330, r3 = 4.520, r4 = 6.520,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 141
&rst
iresid = 1, iat = 25, -1, atnam(1) = 'H13',
igr2 = 22, 22, 22,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 3.120, r2 = 5.120, r3 = 5.310, r4 = 7.310,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 142
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H13', atnam(2) = 'HN03',
r1 = 0.750, r2 = 2.750, r3 = 2.760, r4 = 4.760,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 143
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'HN1', atnam(2) = 'H1',
r1 = 2.070, r2 = 4.070, r3 = 4.190, r4 = 6.190,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 144
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'HN1', atnam(2) = 'H22',
r1 = 1.710, r2 = 3.710, r3 = 3.770, r4 = 5.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 145
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'HN1', atnam(2) = 'H6',
r1 = 2.420, r2 = 4.420, r3 = 4.640, r4 = 6.640,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 146
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'HN1', atnam(2) = 'H2''',
r1 = 1.960, r2 = 3.960, r3 = 4.110, r4 = 6.110,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 147
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'HN1', atnam(2) = 'H2''''',
r1 = 1.710, r2 = 3.710, r3 = 3.770, r4 = 5.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 148
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'HN1', atnam(2) = 'H4''',
r1 = 1.620, r2 = 3.620, r3 = 3.670, r4 = 5.670,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 149
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'HN1', atnam(2) = 'H1''',
r1 = 1.630, r2 = 3.630, r3 = 3.680, r4 = 5.680,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 150
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'HN1', atnam(2) = 'H8',
r1 = 2.310, r2 = 4.310, r3 = 4.450, r4 = 6.450,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 151
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN1', atnam(2) = 'HN03',
r1 = 1.910, r2 = 3.910, r3 = 3.980, r4 = 5.980,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 152
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'H15', atnam(2) = 'H4''',
r1 = 1.050, r2 = 3.050, r3 = 3.060, r4 = 5.060,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 153
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'H15', atnam(2) = 'H1''',
r1 = 2.120, r2 = 4.120, r3 = 4.210, r4 = 6.210,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 154
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H15', atnam(2) = 'H13',
r1 = 1.830, r2 = 3.830, r3 = 3.880, r4 = 5.880,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 155
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H4''',
r1 = 2.010, r2 = 4.010, r3 = 4.090, r4 = 6.090,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 156
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H1''',
r1 = 0.930, r2 = 2.930, r3 = 2.940, r4 = 4.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 157
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H2''''',
r1 = 1.660, r2 = 3.660, r3 = 3.730, r4 = 5.730,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 158
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'HN2', atnam(2) = 'H4''',
r1 = 1.540, r2 = 3.540, r3 = 3.580, r4 = 5.580,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 159
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'HN2', atnam(2) = 'H1''',
r1 = 1.720, r2 = 3.720, r3 = 3.780, r4 = 5.780,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 160
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'HN2', atnam(2) = 'H6',
r1 = 2.520, r2 = 4.520, r3 = 4.720, r4 = 6.720,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 161
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN2', atnam(2) = 'HN1',
r1 = 2.140, r2 = 4.140, r3 = 4.260, r4 = 6.260,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 162
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'HN3', atnam(2) = 'H2',
r1 = 1.650, r2 = 3.650, r3 = 3.690, r4 = 5.690,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 163
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN3', atnam(2) = 'H1',
r1 = 2.330, r2 = 4.330, r3 = 4.500, r4 = 6.500,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 164
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN3', atnam(2) = 'H21',
r1 = 1.910, r2 = 3.910, r3 = 4.010, r4 = 6.010,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 165
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H4''',
r1 = 1.730, r2 = 3.730, r3 = 3.790, r4 = 5.790,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 166
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H1''',
r1 = 0.590, r2 = 2.590, r3 = 2.590, r4 = 4.590,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 167
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H6',
r1 = 2.350, r2 = 4.350, r3 = 4.560, r4 = 6.560,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 168
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H3',
r1 = 2.150, r2 = 4.150, r3 = 4.270, r4 = 6.270,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 169
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H2''',
r1 = 1.660, r2 = 3.660, r3 = 3.730, r4 = 5.730,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 170
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H2''''',
r1 = 1.460, r2 = 3.460, r3 = 3.500, r4 = 5.500,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 171
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'HN3', atnam(2) = 'H4''',
r1 = 1.960, r2 = 3.960, r3 = 4.040, r4 = 6.040,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 172
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'HN3', atnam(2) = 'H1''',
r1 = 2.060, r2 = 4.060, r3 = 4.170, r4 = 6.170,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 173
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN3', atnam(2) = 'HN2',
r1 = 2.100, r2 = 4.100, r3 = 4.220, r4 = 6.220,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 174
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'H25', atnam(2) = 'H4''',
r1 = 1.250, r2 = 3.250, r3 = 3.270, r4 = 5.270,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 175
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'H25', atnam(2) = 'H1''',
r1 = 2.190, r2 = 4.190, r3 = 4.320, r4 = 6.320,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 176
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'HN4', atnam(2) = 'H2',
r1 = 2.360, r2 = 4.360, r3 = 4.540, r4 = 6.540,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 177
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H4''',
r1 = 2.110, r2 = 4.110, r3 = 4.230, r4 = 6.230,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 178
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H1''',
r1 = 0.800, r2 = 2.800, r3 = 2.810, r4 = 4.810,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 179
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H1',
r1 = 1.740, r2 = 3.740, r3 = 3.800, r4 = 5.800,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 180
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H21',
r1 = 1.200, r2 = 3.200, r3 = 3.220, r4 = 5.220,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 181
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H22',
r1 = 0.890, r2 = 2.890, r3 = 2.900, r4 = 4.900,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 182
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H4''',
r1 = 1.870, r2 = 3.870, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 183
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H1''',
r1 = 2.120, r2 = 4.120, r3 = 4.250, r4 = 6.250,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 184
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H6',
r1 = 2.250, r2 = 4.250, r3 = 4.420, r4 = 6.420,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 185
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN4', atnam(2) = 'HN3',
r1 = 1.970, r2 = 3.970, r3 = 4.080, r4 = 6.080,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 186
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H23', atnam(2) = 'H3',
r1 = 1.620, r2 = 3.620, r3 = 3.660, r4 = 5.660,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 187
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'H23', atnam(2) = 'H1''',
r1 = 0.950, r2 = 2.950, r3 = 2.960, r4 = 4.960,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 188
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'H23', atnam(2) = 'H6',
r1 = 1.790, r2 = 3.790, r3 = 3.850, r4 = 5.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 189
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H23', atnam(2) = 'HN2',
r1 = 1.050, r2 = 3.050, r3 = 3.060, r4 = 5.060,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 190
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H23', atnam(2) = 'H25',
r1 = 2.150, r2 = 4.150, r3 = 4.250, r4 = 6.250,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 191
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'H35', atnam(2) = 'H4''',
r1 = 0.820, r2 = 2.820, r3 = 2.830, r4 = 4.830,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 192
&rst
iresid = 1, iat = 25, 8, atnam(1) = 'HN5', atnam(2) = 'H6',
r1 = 2.280, r2 = 4.280, r3 = 4.460, r4 = 6.460,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 193
&rst
iresid = 1, iat = 25, 8, atnam(1) = 'HN5', atnam(2) = 'H2''''',
r1 = 1.760, r2 = 3.760, r3 = 3.830, r4 = 5.830,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 194
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'HN5', atnam(2) = 'H4''',
r1 = 1.840, r2 = 3.840, r3 = 3.900, r4 = 5.900,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 195
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'HN5', atnam(2) = 'H1''',
r1 = 1.880, r2 = 3.880, r3 = 3.950, r4 = 5.950,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 196
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'HN5', atnam(2) = 'H8',
r1 = 2.250, r2 = 4.250, r3 = 4.410, r4 = 6.410,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 197
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN5', atnam(2) = 'H1',
r1 = 2.180, r2 = 4.180, r3 = 4.310, r4 = 6.310,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 198
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN5', atnam(2) = 'H21',
r1 = 1.490, r2 = 3.490, r3 = 3.530, r4 = 5.530,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 199
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'HN5', atnam(2) = 'H22',
r1 = 1.560, r2 = 3.560, r3 = 3.620, r4 = 5.620,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 200
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN5', atnam(2) = 'HN3',
r1 = 2.290, r2 = 4.290, r3 = 4.450, r4 = 6.450,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 201
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'HN6', atnam(2) = 'H4''',
r1 = 1.610, r2 = 3.610, r3 = 3.660, r4 = 5.660,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 202
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'HN6', atnam(2) = 'H1''',
r1 = 0.830, r2 = 2.830, r3 = 2.840, r4 = 4.840,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 203
&rst
iresid = 1, iat = 25, 8, atnam(1) = 'HN6', atnam(2) = 'H6',
r1 = 2.700, r2 = 4.700, r3 = 5.070, r4 = 7.070,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 204
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'HN6', atnam(2) = 'H3',
r1 = 2.280, r2 = 4.280, r3 = 4.440, r4 = 6.440,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 205
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN6', atnam(2) = 'H23',
r1 = 2.130, r2 = 4.130, r3 = 4.260, r4 = 6.260,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 206
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN6', atnam(2) = 'HN5',
r1 = 1.880, r2 = 3.880, r3 = 3.950, r4 = 5.950,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 207
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'HN7', atnam(2) = 'H1',
r1 = 2.350, r2 = 4.350, r3 = 4.550, r4 = 6.550,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 208
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'HN7', atnam(2) = 'H22',
r1 = 1.200, r2 = 3.200, r3 = 3.230, r4 = 5.230,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 209
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H4''',
r1 = 1.780, r2 = 3.780, r3 = 3.850, r4 = 5.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 210
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H6',
r1 = 2.220, r2 = 4.220, r3 = 4.370, r4 = 6.370,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 211
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H3',
r1 = 2.310, r2 = 4.310, r3 = 4.490, r4 = 6.490,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 212
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H2''''',
r1 = 1.370, r2 = 3.370, r3 = 3.410, r4 = 5.410,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 213
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'HN7', atnam(2) = 'H1''',
r1 = 1.780, r2 = 3.780, r3 = 3.850, r4 = 5.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 214
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'HN7', atnam(2) = 'H2',
r1 = 1.480, r2 = 3.480, r3 = 3.520, r4 = 5.520,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 215
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'HN1',
r1 = 1.980, r2 = 3.980, r3 = 4.070, r4 = 6.070,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 216
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'H15',
r1 = 2.480, r2 = 4.480, r3 = 4.690, r4 = 6.690,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 217
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'HN6',
r1 = 1.940, r2 = 3.940, r3 = 4.020, r4 = 6.020,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 218
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'H44', atnam(2) = 'H1''',
r1 = 1.850, r2 = 3.850, r3 = 3.920, r4 = 5.920,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 219
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H44', atnam(2) = 'HN3',
r1 = 2.550, r2 = 4.550, r3 = 4.770, r4 = 6.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 220
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H4''',
r1 = 1.260, r2 = 3.260, r3 = 3.290, r4 = 5.290,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 221
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H1''',
r1 = 0.580, r2 = 2.580, r3 = 2.580, r4 = 4.580,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 222
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H2',
r1 = 1.380, r2 = 3.380, r3 = 3.410, r4 = 5.410,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 223
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H2''''',
r1 = 1.220, r2 = 3.220, r3 = 3.250, r4 = 5.250,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 224
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'H53', atnam(2) = 'H21',
r1 = 0.680, r2 = 2.680, r3 = 2.690, r4 = 4.690,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 225
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'H53', atnam(2) = 'H22',
r1 = 0.780, r2 = 2.780, r3 = 2.780, r4 = 4.780,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 226
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN3',
r1 = 1.940, r2 = 3.940, r3 = 4.030, r4 = 6.030,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 227
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN4',
r1 = 1.380, r2 = 3.380, r3 = 3.410, r4 = 5.410,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 228
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN9',
r1 = 1.210, r2 = 3.210, r3 = 3.230, r4 = 5.230,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 229
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN5',
r1 = 0.990, r2 = 2.990, r3 = 3.010, r4 = 5.010,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 230
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H55', atnam(2) = 'H4''',
r1 = 1.180, r2 = 3.180, r3 = 3.190, r4 = 5.190,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 231
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H55', atnam(2) = 'H1''',
r1 = 2.370, r2 = 4.370, r3 = 4.530, r4 = 6.530,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 232
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'HN3',
r1 = 2.690, r2 = 4.690, r3 = 4.920, r4 = 6.920,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 233
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'H44',
r1 = 2.180, r2 = 4.180, r3 = 4.290, r4 = 6.290,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 234
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'H53',
r1 = 2.080, r2 = 4.080, r3 = 4.180, r4 = 6.180,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 235
&rst
iresid = 1, iat = 25, 9, atnam(1) = 'H63', atnam(2) = 'H8',
r1 = 2.070, r2 = 4.070, r3 = 4.180, r4 = 6.180,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 236
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'H63', atnam(2) = 'H1',
r1 = 2.120, r2 = 4.120, r3 = 4.240, r4 = 6.240,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 237
&rst
iresid = 1, iat = 25, 17, atnam(1) = 'H63', atnam(2) = 'H21',
r1 = 1.410, r2 = 3.410, r3 = 3.450, r4 = 5.450,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 238
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H63', atnam(2) = 'HN5',
r1 = 0.700, r2 = 2.700, r3 = 2.710, r4 = 4.710,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 239
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H75', atnam(2) = 'H1''',
r1 = 2.540, r2 = 4.540, r3 = 4.850, r4 = 6.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 240
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'H75', atnam(2) = 'H4''',
r1 = 0.740, r2 = 2.740, r3 = 2.750, r4 = 4.750,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 241
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H75', atnam(2) = 'HN7',
r1 = 1.800, r2 = 3.800, r3 = 3.880, r4 = 5.880,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 242
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H33', atnam(2) = 'H3',
r1 = 2.340, r2 = 4.340, r3 = 4.520, r4 = 6.520,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 243
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'H33', atnam(2) = 'H1''',
r1 = 1.440, r2 = 3.440, r3 = 3.470, r4 = 5.470,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 244
&rst
iresid = 1, iat = 25, 18, atnam(1) = 'H33', atnam(2) = 'H2''',
r1 = 2.310, r2 = 4.310, r3 = 4.570, r4 = 6.570,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 245
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'H33', atnam(2) = 'H1''',
r1 = 0.740, r2 = 2.740, r3 = 2.750, r4 = 4.750,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 246
&rst
iresid = 1, iat = 25, 19, atnam(1) = 'H33', atnam(2) = 'H8',
r1 = 2.060, r2 = 4.060, r3 = 4.170, r4 = 6.170,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 247
&rst
iresid = 1, iat = 25, 20, atnam(1) = 'H33', atnam(2) = 'H6',
r1 = 2.270, r2 = 4.270, r3 = 4.400, r4 = 6.400,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 248
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'HN2',
r1 = 0.650, r2 = 2.650, r3 = 2.650, r4 = 4.650,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 249
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'H25',
r1 = 2.660, r2 = 4.660, r3 = 4.910, r4 = 6.910,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 250
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H73', atnam(2) = 'H22',
r1 = 1.870, r2 = 3.870, r3 = 3.970, r4 = 5.970,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 251
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H73', atnam(2) = 'H1''',
r1 = 1.390, r2 = 3.390, r3 = 3.430, r4 = 5.430,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 252
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H73', atnam(2) = 'H3',
r1 = 1.870, r2 = 3.870, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 253
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'H73', atnam(2) = 'H4''',
r1 = 1.520, r2 = 3.520, r3 = 3.550, r4 = 5.550,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 254
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'H73', atnam(2) = 'H1''',
r1 = 0.740, r2 = 2.740, r3 = 2.740, r4 = 4.740,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 255
&rst
iresid = 1, iat = 25, 7, atnam(1) = 'H73', atnam(2) = 'H8',
r1 = 2.020, r2 = 4.020, r3 = 4.110, r4 = 6.110,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 256
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN1',
r1 = 2.130, r2 = 4.130, r3 = 4.250, r4 = 6.250,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 257
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN2',
r1 = 1.890, r2 = 3.890, r3 = 3.970, r4 = 5.970,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 258
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H25',
r1 = 2.420, r2 = 4.420, r3 = 4.620, r4 = 6.620,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 259
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H23',
r1 = 1.060, r2 = 3.060, r3 = 3.080, r4 = 5.080,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 260
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN6',
r1 = 0.600, r2 = 2.600, r3 = 2.600, r4 = 4.600,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 261
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN7',
r1 = 0.720, r2 = 2.720, r3 = 2.720, r4 = 4.720,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 262
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H75',
r1 = 1.780, r2 = 3.780, r3 = 3.840, r4 = 5.840,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 263
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'HN1',
igr1 = 25, 25, 25,
grnam1(1) = 'H221', grnam1(2) = 'H222', grnam1(3) = 'H223',
r1 = 2.680, r2 = 4.680, r3 = 4.820, r4 = 6.820,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 264
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'H23',
igr1 = 25, 25, 25,
grnam1(1) = 'H221', grnam1(2) = 'H222', grnam1(3) = 'H223',
r1 = 2.220, r2 = 4.220, r3 = 4.300, r4 = 6.300,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 265
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'H73',
igr1 = 25, 25, 25,
grnam1(1) = 'H221', grnam1(2) = 'H222', grnam1(3) = 'H223',
r1 = 2.890, r2 = 4.890, r3 = 5.060, r4 = 7.060,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 266
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'HN03',
igr1 = 25, 25, 25,
grnam1(1) = 'H111', grnam1(2) = 'H112', grnam1(3) = 'H113',
r1 = 2.710, r2 = 4.710, r3 = 4.850, r4 = 6.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 267
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'HN3',
igr1 = 25, 25, 25,
grnam1(1) = 'H441', grnam1(2) = 'H442', grnam1(3) = 'H443',
r1 = 2.540, r2 = 4.540, r3 = 4.650, r4 = 6.650,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 268
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'HN2',
igr1 = 25, 25, 25,
grnam1(1) = 'H331', grnam1(2) = 'H332', grnam1(3) = 'H333',
r1 = 3.010, r2 = 5.010, r3 = 5.230, r4 = 7.230,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 269
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'HN6',
igr1 = 25, 25, 25,
grnam1(1) = 'H771', grnam1(2) = 'H772', grnam1(3) = 'H773',
r1 = 2.630, r2 = 4.630, r3 = 4.740, r4 = 6.740,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 270
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'H53',
igr1 = 25, 25, 25,
grnam1(1) = 'H551', grnam1(2) = 'H552', grnam1(3) = 'H553',
r1 = 2.270, r2 = 4.270, r3 = 4.350, r4 = 6.350,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 271
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H84', atnam(2) = 'H4''',
r1 = 2.460, r2 = 4.460, r3 = 4.730, r4 = 6.730,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 272
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H84', atnam(2) = 'H1''',
r1 = 1.540, r2 = 3.540, r3 = 3.580, r4 = 5.580,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 273
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H84', atnam(2) = 'H22',
r1 = 2.000, r2 = 4.000, r3 = 4.130, r4 = 6.130,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 274
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H84', atnam(2) = 'H4''',
r1 = 0.840, r2 = 2.840, r3 = 2.850, r4 = 4.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 275
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H84', atnam(2) = 'H1''',
r1 = 1.880, r2 = 3.880, r3 = 3.970, r4 = 5.970,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 276
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H84', atnam(2) = 'HN7',
r1 = 2.480, r2 = 4.480, r3 = 4.700, r4 = 6.700,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 277
&rst
iresid = 1, iat = 25, 4, atnam(1) = 'H83', atnam(2) = 'H1''',
r1 = 2.250, r2 = 4.250, r3 = 4.410, r4 = 6.410,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 278
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H4''',
r1 = 2.060, r2 = 4.060, r3 = 4.210, r4 = 6.210,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 279
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H1''',
r1 = 0.540, r2 = 2.540, r3 = 2.550, r4 = 4.550,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 280
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H8',
r1 = 2.160, r2 = 4.160, r3 = 4.290, r4 = 6.290,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 281
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H1',
r1 = 1.930, r2 = 3.930, r3 = 4.010, r4 = 6.010,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 282
&rst
iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H22',
r1 = 0.840, r2 = 2.840, r3 = 2.850, r4 = 4.850,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 283
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H4''',
r1 = 1.370, r2 = 3.370, r3 = 3.400, r4 = 5.400,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 284
&rst
iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H1''',
r1 = 1.500, r2 = 3.500, r3 = 3.530, r4 = 5.530,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 285
&rst
iresid = 1, iat = 25, -1, atnam(1) = 'H83',
igr2 = 6, 6, 6,
grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73',
r1 = 2.850, r2 = 4.850, r3 = 4.980, r4 = 6.980,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 286
&rst
iresid = 1, iat = 25, 21, atnam(1) = 'H83', atnam(2) = 'H2',
r1 = 1.710, r2 = 3.710, r3 = 3.770, r4 = 5.770,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 287
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN03',
r1 = 2.280, r2 = 4.280, r3 = 4.460, r4 = 6.460,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 288
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'H13',
r1 = 1.300, r2 = 3.300, r3 = 3.330, r4 = 5.330,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 289
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN1',
r1 = 2.360, r2 = 4.360, r3 = 4.540, r4 = 6.540,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 290
&rst
iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN7',
r1 = 1.800, r2 = 3.800, r3 = 3.870, r4 = 5.870,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 291
&rst
iresid = 1, iat = -1, 5, atnam(2) = 'H1''',
igr1 = 25, 25, 25,
grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883',
r1 = 3.030, r2 = 5.030, r3 = 5.260, r4 = 7.260,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 292
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'H13',
igr1 = 25, 25, 25,
grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883',
r1 = 2.380, r2 = 4.380, r3 = 4.460, r4 = 6.460,
rk2 =10.000, rk3 =10.000,
&end
# distance restraint # 293
&rst
iresid = 1, iat = -1, 25, atnam(2) = 'H83',
igr1 = 25, 25, 25,
grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883',
r1 = 1.630, r2 = 3.630, r3 = 3.660, r4 = 5.660,
rk2 =10.000, rk3 =10.000,
&end
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