NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
623474 | 5odf | 34157 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: pa6_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, / # # 10 DT H3 15 DA N1 1.71 1.91 &rst ixpk= 0, nxpk= 0, iat= 308, 463, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, / # # 10 DT N3 15 DA N1 2.72 2.92 &rst ixpk= 0, nxpk= 0, iat= 307, 463, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, / # # 10 DT O4 15 DA H61 1.84 2.04 &rst ixpk= 0, nxpk= 0, iat= 306, 461, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, / # # 11 DC H42 14 DG O6 1.80 2.00 &rst ixpk= 0, nxpk= 0, iat= 337, 427, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, / # # 11 DC N3 14 DG H1 1.84 2.04 &rst ixpk= 0, nxpk= 0, iat= 338, 429, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, / # # 11 DC N3 14 DG N1 2.85 3.05 &rst ixpk= 0, nxpk= 0, iat= 338, 428, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, / # # 11 DC N4 14 DG O6 2.81 3.01 &rst ixpk= 0, nxpk= 0, iat= 335, 427, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, / # # 11 DC O2 14 DG H22 1.75 1.95 # distance restraint # 1 &rst iresid = 1, iat = 1, 1, atnam(1) = 'H3''', atnam(2) = 'H6', r1 = 0.000, r2 = 1.850, r3 = 1.850, r4 = 3.850, rk2 =10.000, rk3 =10.000, &end # distance restraint # 2 &rst iresid = 1, iat = 1, 1, atnam(1) = 'H2''', atnam(2) = 'H6', r1 = 0.700, r2 = 2.700, r3 = 2.720, r4 = 4.720, rk2 =10.000, rk3 =10.000, &end # distance restraint # 3 &rst iresid = 1, iat = 1, 1, atnam(1) = 'H2''', atnam(2) = 'H5', r1 = 1.460, r2 = 3.460, r3 = 3.600, r4 = 5.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 4 &rst iresid = 1, iat = 1, 1, atnam(1) = 'H2''''', atnam(2) = 'H6', r1 = 1.110, r2 = 3.110, r3 = 3.180, r4 = 5.180, rk2 =10.000, rk3 =10.000, &end # distance restraint # 5 &rst iresid = 1, iat = 2, 2, atnam(1) = 'H1''', atnam(2) = 'H4''', r1 = 1.940, r2 = 3.940, r3 = 4.200, r4 = 6.200, rk2 =10.000, rk3 =10.000, &end # distance restraint # 6 &rst iresid = 1, iat = 2, 1, atnam(1) = 'H8', atnam(2) = 'H2''', r1 = 1.210, r2 = 3.210, r3 = 3.280, r4 = 5.280, rk2 =10.000, rk3 =10.000, &end # distance restraint # 7 &rst iresid = 1, iat = 2, 2, atnam(1) = 'H8', atnam(2) = 'H1''', r1 = 1.760, r2 = 3.760, r3 = 3.930, r4 = 5.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 8 &rst iresid = 1, iat = 3, 2, atnam(1) = 'H8', atnam(2) = 'H1''', r1 = 1.770, r2 = 3.770, r3 = 3.930, r4 = 5.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 9 &rst iresid = 1, iat = 3, 3, atnam(1) = 'H3''', atnam(2) = 'H8', r1 = 1.400, r2 = 3.400, r3 = 3.490, r4 = 5.490, rk2 =10.000, rk3 =10.000, &end # distance restraint # 10 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H4''', r1 = 2.600, r2 = 4.600, r3 = 6.020, r4 = 8.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 11 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H1''', r1 = 1.430, r2 = 3.430, r3 = 3.530, r4 = 5.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 12 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H8', r1 = 1.840, r2 = 3.840, r3 = 4.010, r4 = 6.010, rk2 =10.000, rk3 =10.000, &end # distance restraint # 13 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H3''', r1 = 1.850, r2 = 3.850, r3 = 4.070, r4 = 6.070, rk2 =10.000, rk3 =10.000, &end # distance restraint # 14 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H2''', r1 = 1.280, r2 = 3.280, r3 = 3.380, r4 = 5.380, rk2 =10.000, rk3 =10.000, &end # distance restraint # 15 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H6', atnam(2) = 'H2''''', r1 = 1.030, r2 = 3.030, r3 = 3.080, r4 = 5.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 16 &rst iresid = 1, iat = -1, 3, atnam(2) = 'H1''', igr1 = 4, 4, 4, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.090, r2 = 4.090, r3 = 4.240, r4 = 6.240, rk2 =10.000, rk3 =10.000, &end # distance restraint # 17 &rst iresid = 1, iat = -1, 3, atnam(2) = 'H8', igr1 = 4, 4, 4, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 1.630, r2 = 3.630, r3 = 3.660, r4 = 5.660, rk2 =10.000, rk3 =10.000, &end # distance restraint # 18 &rst iresid = 1, iat = 4, 3, atnam(1) = 'H3', atnam(2) = 'H2', r1 = 1.750, r2 = 3.750, r3 = 3.930, r4 = 5.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 19 &rst iresid = 1, iat = 4, 4, atnam(1) = 'H3', atnam(2) = 'H1''', r1 = 2.220, r2 = 4.220, r3 = 4.740, r4 = 6.740, rk2 =10.000, rk3 =10.000, &end # distance restraint # 20 &rst iresid = 1, iat = 4, -1, atnam(1) = 'H3', igr2 = 4, 4, 4, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.890, r2 = 4.890, r3 = 5.560, r4 = 7.560, rk2 =10.000, rk3 =10.000, &end # distance restraint # 21 &rst iresid = 1, iat = 4, 4, atnam(1) = 'H3''', atnam(2) = 'H6', r1 = 1.330, r2 = 3.330, r3 = 3.400, r4 = 5.400, rk2 =10.000, rk3 =10.000, &end # distance restraint # 22 &rst iresid = 1, iat = 5, 5, atnam(1) = 'H1''', atnam(2) = 'H4''', r1 = 1.970, r2 = 3.970, r3 = 4.250, r4 = 6.250, rk2 =10.000, rk3 =10.000, &end # distance restraint # 23 &rst iresid = 1, iat = 5, 4, atnam(1) = 'H8', atnam(2) = 'H6', r1 = 1.880, r2 = 3.880, r3 = 4.100, r4 = 6.100, rk2 =10.000, rk3 =10.000, &end # distance restraint # 24 &rst iresid = 1, iat = 5, 5, atnam(1) = 'H8', atnam(2) = 'H4''', r1 = 1.750, r2 = 3.750, r3 = 3.950, r4 = 5.950, rk2 =10.000, rk3 =10.000, &end # distance restraint # 25 &rst iresid = 1, iat = 5, 5, atnam(1) = 'H8', atnam(2) = 'H1''', r1 = 1.280, r2 = 3.280, r3 = 3.350, r4 = 5.350, rk2 =10.000, rk3 =10.000, &end # distance restraint # 26 &rst iresid = 1, iat = 5, 5, atnam(1) = 'H21', atnam(2) = 'H1', r1 = 1.020, r2 = 3.020, r3 = 3.070, r4 = 5.070, rk2 =10.000, rk3 =10.000, &end # distance restraint # 27 &rst iresid = 1, iat = 5, 5, atnam(1) = 'H22', atnam(2) = 'H1''', r1 = 1.900, r2 = 3.900, r3 = 4.220, r4 = 6.220, rk2 =10.000, rk3 =10.000, &end # distance restraint # 28 &rst iresid = 1, iat = 5, 5, atnam(1) = 'H22', atnam(2) = 'H1', r1 = 1.170, r2 = 3.170, r3 = 3.220, r4 = 5.220, rk2 =10.000, rk3 =10.000, &end # distance restraint # 29 &rst iresid = 1, iat = -1, 5, atnam(2) = 'H1''', igr1 = 6, 6, 6, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 1.830, r2 = 3.830, r3 = 3.930, r4 = 5.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 30 &rst iresid = 1, iat = -1, 5, atnam(2) = 'H8', igr1 = 6, 6, 6, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 1.790, r2 = 3.790, r3 = 3.830, r4 = 5.830, rk2 =10.000, rk3 =10.000, &end # distance restraint # 31 &rst iresid = 1, iat = -1, 6, atnam(2) = 'H1''', igr1 = 6, 6, 6, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.570, r2 = 4.570, r3 = 4.990, r4 = 6.990, rk2 =10.000, rk3 =10.000, &end # distance restraint # 32 &rst iresid = 1, iat = 6, 5, atnam(1) = 'H3', atnam(2) = 'H21', r1 = 1.690, r2 = 3.690, r3 = 3.880, r4 = 5.880, rk2 =10.000, rk3 =10.000, &end # distance restraint # 33 &rst iresid = 1, iat = 6, 5, atnam(1) = 'H3', atnam(2) = 'H22', r1 = 1.860, r2 = 3.860, r3 = 4.120, r4 = 6.120, rk2 =10.000, rk3 =10.000, &end # distance restraint # 34 &rst iresid = 1, iat = 6, 6, atnam(1) = 'H3', atnam(2) = 'H1''', r1 = 2.650, r2 = 4.650, r3 = 5.690, r4 = 7.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 35 &rst iresid = 1, iat = 6, -1, atnam(1) = 'H3', igr2 = 6, 6, 6, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.950, r2 = 4.950, r3 = 5.560, r4 = 7.560, rk2 =10.000, rk3 =10.000, &end # distance restraint # 36 &rst iresid = 1, iat = 6, -1, atnam(1) = 'H2''', igr2 = 6, 6, 6, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.440, r2 = 4.440, r3 = 4.710, r4 = 6.710, rk2 =10.000, rk3 =10.000, &end # distance restraint # 37 &rst iresid = 1, iat = 7, -1, atnam(1) = 'H8', igr2 = 6, 6, 6, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 3.000, r2 = 5.000, r3 = 5.670, r4 = 7.670, rk2 =10.000, rk3 =10.000, &end # distance restraint # 38 &rst iresid = 1, iat = 8, 7, atnam(1) = 'H41', atnam(2) = 'H8', r1 = 2.640, r2 = 4.640, r3 = 6.140, r4 = 8.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 39 &rst iresid = 1, iat = 8, 8, atnam(1) = 'H41', atnam(2) = 'H5', r1 = 1.580, r2 = 3.580, r3 = 3.850, r4 = 5.850, rk2 =10.000, rk3 =10.000, &end # distance restraint # 40 &rst iresid = 1, iat = 8, 8, atnam(1) = 'H42', atnam(2) = 'H6', r1 = 1.630, r2 = 3.630, r3 = 4.020, r4 = 6.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 41 &rst iresid = 1, iat = 8, 8, atnam(1) = 'H42', atnam(2) = 'H5', r1 = 1.130, r2 = 3.130, r3 = 3.240, r4 = 5.240, rk2 =10.000, rk3 =10.000, &end # distance restraint # 42 &rst iresid = 1, iat = 9, 8, atnam(1) = 'H2', atnam(2) = 'H41', r1 = 2.160, r2 = 4.160, r3 = 4.890, r4 = 6.890, rk2 =10.000, rk3 =10.000, &end # distance restraint # 43 &rst iresid = 1, iat = 10, -1, atnam(1) = 'H3', igr2 = 10, 10, 10, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 3.210, r2 = 5.210, r3 = 6.530, r4 = 8.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 44 &rst iresid = 1, iat = 11, 10, atnam(1) = 'H6', atnam(2) = 'H2''', r1 = 0.000, r2 = 1.300, r3 = 1.390, r4 = 3.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 45 &rst iresid = 1, iat = 11, 10, atnam(1) = 'H5', atnam(2) = 'H2''', r1 = 1.550, r2 = 3.550, r3 = 3.780, r4 = 5.780, rk2 =10.000, rk3 =10.000, &end # distance restraint # 46 &rst iresid = 1, iat = 11, -1, atnam(1) = 'H41', igr2 = 10, 10, 10, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.230, r2 = 4.230, r3 = 4.390, r4 = 6.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 47 &rst iresid = 1, iat = 11, 11, atnam(1) = 'H41', atnam(2) = 'H6', r1 = 1.720, r2 = 3.720, r3 = 4.990, r4 = 6.990, rk2 =10.000, rk3 =10.000, &end # distance restraint # 48 &rst iresid = 1, iat = 11, 11, atnam(1) = 'H2''', atnam(2) = 'H6', r1 = 0.170, r2 = 2.170, r3 = 2.270, r4 = 4.270, rk2 =10.000, rk3 =10.000, &end # distance restraint # 49 &rst iresid = 1, iat = 11, 11, atnam(1) = 'H2''', atnam(2) = 'H5', r1 = 1.540, r2 = 3.540, r3 = 3.690, r4 = 5.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 50 &rst iresid = 1, iat = 12, 11, atnam(1) = 'H8', atnam(2) = 'H6', r1 = 1.510, r2 = 3.510, r3 = 3.810, r4 = 5.810, rk2 =10.000, rk3 =10.000, &end # distance restraint # 51 &rst iresid = 1, iat = 13, 13, atnam(1) = 'H6', atnam(2) = 'H4''', r1 = 1.090, r2 = 3.090, r3 = 3.130, r4 = 5.130, rk2 =10.000, rk3 =10.000, &end # distance restraint # 52 &rst iresid = 1, iat = 13, 13, atnam(1) = 'H3''', atnam(2) = 'H6', r1 = 1.440, r2 = 3.440, r3 = 3.550, r4 = 5.550, rk2 =10.000, rk3 =10.000, &end # distance restraint # 53 &rst iresid = 1, iat = 13, 13, atnam(1) = 'H2''', atnam(2) = 'H6', r1 = 0.670, r2 = 2.670, r3 = 2.690, r4 = 4.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 54 &rst iresid = 1, iat = 13, 13, atnam(1) = 'H2''', atnam(2) = 'H5', r1 = 1.490, r2 = 3.490, r3 = 3.620, r4 = 5.620, rk2 =10.000, rk3 =10.000, &end # distance restraint # 55 &rst iresid = 1, iat = 13, 13, atnam(1) = 'H2''''', atnam(2) = 'H6', r1 = 1.470, r2 = 3.470, r3 = 3.610, r4 = 5.610, rk2 =10.000, rk3 =10.000, &end # distance restraint # 56 &rst iresid = 1, iat = 14, 13, atnam(1) = 'H4''', atnam(2) = 'H1''', r1 = 2.010, r2 = 4.010, r3 = 4.300, r4 = 6.300, rk2 =10.000, rk3 =10.000, &end # distance restraint # 57 &rst iresid = 1, iat = 14, 13, atnam(1) = 'H8', atnam(2) = 'H2''', r1 = 3.380, r2 = 5.380, r3 = 6.100, r4 = 8.100, rk2 =10.000, rk3 =10.000, &end # distance restraint # 58 &rst iresid = 1, iat = 14, 11, atnam(1) = 'H1', atnam(2) = 'H41', r1 = 2.110, r2 = 4.110, r3 = 4.530, r4 = 6.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 59 &rst iresid = 1, iat = 14, 11, atnam(1) = 'H1', atnam(2) = 'H42', r1 = 2.300, r2 = 4.300, r3 = 4.920, r4 = 6.920, rk2 =10.000, rk3 =10.000, &end # distance restraint # 60 &rst iresid = 1, iat = 14, 14, atnam(1) = 'H2''''', atnam(2) = 'H4''', r1 = 2.430, r2 = 4.430, r3 = 6.370, r4 = 8.370, rk2 =10.000, rk3 =10.000, &end # distance restraint # 61 &rst iresid = 1, iat = 15, 14, atnam(1) = 'H4''', atnam(2) = 'H1''', r1 = 1.780, r2 = 3.780, r3 = 4.020, r4 = 6.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 62 &rst iresid = 1, iat = 15, 14, atnam(1) = 'H8', atnam(2) = 'H1''', r1 = 1.110, r2 = 3.110, r3 = 3.190, r4 = 5.190, rk2 =10.000, rk3 =10.000, &end # distance restraint # 63 &rst iresid = 1, iat = 15, 15, atnam(1) = 'H3''', atnam(2) = 'H8', r1 = 1.330, r2 = 3.330, r3 = 3.400, r4 = 5.400, rk2 =10.000, rk3 =10.000, &end # distance restraint # 64 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H4''', r1 = 2.460, r2 = 4.460, r3 = 5.530, r4 = 7.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 65 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H1''', r1 = 1.420, r2 = 3.420, r3 = 3.510, r4 = 5.510, rk2 =10.000, rk3 =10.000, &end # distance restraint # 66 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H8', r1 = 1.720, r2 = 3.720, r3 = 3.870, r4 = 5.870, rk2 =10.000, rk3 =10.000, &end # distance restraint # 67 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H2', r1 = 2.470, r2 = 4.470, r3 = 5.260, r4 = 7.260, rk2 =10.000, rk3 =10.000, &end # distance restraint # 68 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H3''', r1 = 1.840, r2 = 3.840, r3 = 4.090, r4 = 6.090, rk2 =10.000, rk3 =10.000, &end # distance restraint # 69 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H2''', r1 = 1.120, r2 = 3.120, r3 = 3.180, r4 = 5.180, rk2 =10.000, rk3 =10.000, &end # distance restraint # 70 &rst iresid = 1, iat = 16, 15, atnam(1) = 'H6', atnam(2) = 'H2''''', r1 = 1.010, r2 = 3.010, r3 = 3.050, r4 = 5.050, rk2 =10.000, rk3 =10.000, &end # distance restraint # 71 &rst iresid = 1, iat = 16, 16, atnam(1) = 'H6', atnam(2) = 'H4''', r1 = 2.190, r2 = 4.190, r3 = 4.710, r4 = 6.710, rk2 =10.000, rk3 =10.000, &end # distance restraint # 72 &rst iresid = 1, iat = 16, 16, atnam(1) = 'H6', atnam(2) = 'H1''', r1 = 1.480, r2 = 3.480, r3 = 3.580, r4 = 5.580, rk2 =10.000, rk3 =10.000, &end # distance restraint # 73 &rst iresid = 1, iat = -1, 15, atnam(2) = 'H1''', igr1 = 16, 16, 16, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.080, r2 = 4.080, r3 = 4.210, r4 = 6.210, rk2 =10.000, rk3 =10.000, &end # distance restraint # 74 &rst iresid = 1, iat = 16, 8, atnam(1) = 'H3', atnam(2) = 'H42', r1 = 1.600, r2 = 3.600, r3 = 3.760, r4 = 5.760, rk2 =10.000, rk3 =10.000, &end # distance restraint # 75 &rst iresid = 1, iat = 16, -1, atnam(1) = 'H3', igr2 = 16, 16, 16, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.770, r2 = 4.770, r3 = 5.180, r4 = 7.180, rk2 =10.000, rk3 =10.000, &end # distance restraint # 76 &rst iresid = 1, iat = 16, 16, atnam(1) = 'H3''', atnam(2) = 'H6', r1 = 1.380, r2 = 3.380, r3 = 3.450, r4 = 5.450, rk2 =10.000, rk3 =10.000, &end # distance restraint # 77 &rst iresid = 1, iat = 16, -1, atnam(1) = 'H3''', igr2 = 16, 16, 16, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 3.030, r2 = 5.030, r3 = 5.530, r4 = 7.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 78 &rst iresid = 1, iat = 16, 16, atnam(1) = 'H2''''', atnam(2) = 'H6', r1 = 0.930, r2 = 2.930, r3 = 2.970, r4 = 4.970, rk2 =10.000, rk3 =10.000, &end # distance restraint # 79 &rst iresid = 1, iat = 17, 16, atnam(1) = 'H8', atnam(2) = 'H6', r1 = 2.120, r2 = 4.120, r3 = 4.510, r4 = 6.510, rk2 =10.000, rk3 =10.000, &end # distance restraint # 80 &rst iresid = 1, iat = 17, 9, atnam(1) = 'H1', atnam(2) = 'H2', r1 = 1.480, r2 = 3.480, r3 = 3.600, r4 = 5.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 81 &rst iresid = 1, iat = 17, 9, atnam(1) = 'H21', atnam(2) = 'H2', r1 = 1.870, r2 = 3.870, r3 = 4.190, r4 = 6.190, rk2 =10.000, rk3 =10.000, &end # distance restraint # 82 &rst iresid = 1, iat = 17, 7, atnam(1) = 'H22', atnam(2) = 'H2', r1 = 2.060, r2 = 4.060, r3 = 4.520, r4 = 6.520, rk2 =10.000, rk3 =10.000, &end # distance restraint # 83 &rst iresid = 1, iat = 17, 8, atnam(1) = 'H22', atnam(2) = 'H41', r1 = 1.690, r2 = 3.690, r3 = 3.990, r4 = 5.990, rk2 =10.000, rk3 =10.000, &end # distance restraint # 84 &rst iresid = 1, iat = 17, 9, atnam(1) = 'H22', atnam(2) = 'H1''', r1 = 1.770, r2 = 3.770, r3 = 4.020, r4 = 6.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 85 &rst iresid = 1, iat = 17, 17, atnam(1) = 'H22', atnam(2) = 'H1''', r1 = 1.930, r2 = 3.930, r3 = 4.220, r4 = 6.220, rk2 =10.000, rk3 =10.000, &end # distance restraint # 86 &rst iresid = 1, iat = 18, 17, atnam(1) = 'H1''', atnam(2) = 'H22', r1 = 1.940, r2 = 3.940, r3 = 4.200, r4 = 6.200, rk2 =10.000, rk3 =10.000, &end # distance restraint # 87 &rst iresid = 1, iat = 18, 18, atnam(1) = 'H6', atnam(2) = 'H1''', r1 = 1.370, r2 = 3.370, r3 = 3.460, r4 = 5.460, rk2 =10.000, rk3 =10.000, &end # distance restraint # 88 &rst iresid = 1, iat = -1, 17, atnam(2) = 'H1''', igr1 = 18, 18, 18, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.010, r2 = 4.010, r3 = 4.140, r4 = 6.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 89 &rst iresid = 1, iat = -1, 17, atnam(2) = 'H8', igr1 = 18, 18, 18, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 1.600, r2 = 3.600, r3 = 3.640, r4 = 5.640, rk2 =10.000, rk3 =10.000, &end # distance restraint # 90 &rst iresid = 1, iat = 18, -1, atnam(1) = 'H3', igr2 = 6, 6, 6, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 3.260, r2 = 5.260, r3 = 6.190, r4 = 8.190, rk2 =10.000, rk3 =10.000, &end # distance restraint # 91 &rst iresid = 1, iat = 18, 6, atnam(1) = 'H3', atnam(2) = 'H3', r1 = 1.960, r2 = 3.960, r3 = 4.170, r4 = 6.170, rk2 =10.000, rk3 =10.000, &end # distance restraint # 92 &rst iresid = 1, iat = 18, 18, atnam(1) = 'H3', atnam(2) = 'H1''', r1 = 2.430, r2 = 4.430, r3 = 5.140, r4 = 7.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 93 &rst iresid = 1, iat = 18, -1, atnam(1) = 'H3', igr2 = 18, 18, 18, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.690, r2 = 4.690, r3 = 5.170, r4 = 7.170, rk2 =10.000, rk3 =10.000, &end # distance restraint # 94 &rst iresid = 1, iat = 18, -1, atnam(1) = 'H2''', igr2 = 18, 18, 18, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.090, r2 = 4.090, r3 = 4.260, r4 = 6.260, rk2 =10.000, rk3 =10.000, &end # distance restraint # 95 &rst iresid = 1, iat = 19, 5, atnam(1) = 'H61', atnam(2) = 'H1', r1 = 1.870, r2 = 3.870, r3 = 4.140, r4 = 6.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 96 &rst iresid = 1, iat = 19, 6, atnam(1) = 'H61', atnam(2) = 'H3', r1 = 1.090, r2 = 3.090, r3 = 3.140, r4 = 5.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 97 &rst iresid = 1, iat = 19, 5, atnam(1) = 'H62', atnam(2) = 'H1', r1 = 1.730, r2 = 3.730, r3 = 3.890, r4 = 5.890, rk2 =10.000, rk3 =10.000, &end # distance restraint # 98 &rst iresid = 1, iat = 19, 18, atnam(1) = 'H62', atnam(2) = 'H3', r1 = 1.170, r2 = 3.170, r3 = 3.230, r4 = 5.230, rk2 =10.000, rk3 =10.000, &end # distance restraint # 99 &rst iresid = 1, iat = 19, 5, atnam(1) = 'H2', atnam(2) = 'H1', r1 = 2.070, r2 = 4.070, r3 = 4.450, r4 = 6.450, rk2 =10.000, rk3 =10.000, &end # distance restraint # 100 &rst iresid = 1, iat = 20, 19, atnam(1) = 'H5', atnam(2) = 'H2''''', r1 = 2.270, r2 = 4.270, r3 = 5.050, r4 = 7.050, rk2 =10.000, rk3 =10.000, &end # distance restraint # 101 &rst iresid = 1, iat = 20, 5, atnam(1) = 'H41', atnam(2) = 'H1', r1 = 1.100, r2 = 3.100, r3 = 3.150, r4 = 5.150, rk2 =10.000, rk3 =10.000, &end # distance restraint # 102 &rst iresid = 1, iat = 20, 5, atnam(1) = 'H41', atnam(2) = 'H21', r1 = 1.720, r2 = 3.720, r3 = 4.010, r4 = 6.010, rk2 =10.000, rk3 =10.000, &end # distance restraint # 103 &rst iresid = 1, iat = 20, 19, atnam(1) = 'H41', atnam(2) = 'H8', r1 = 2.410, r2 = 4.410, r3 = 5.590, r4 = 7.590, rk2 =10.000, rk3 =10.000, &end # distance restraint # 104 &rst iresid = 1, iat = 20, 20, atnam(1) = 'H41', atnam(2) = 'H5', r1 = 1.750, r2 = 3.750, r3 = 3.970, r4 = 5.970, rk2 =10.000, rk3 =10.000, &end # distance restraint # 105 &rst iresid = 1, iat = 20, 4, atnam(1) = 'H42', atnam(2) = 'H3', r1 = 1.940, r2 = 3.940, r3 = 4.290, r4 = 6.290, rk2 =10.000, rk3 =10.000, &end # distance restraint # 106 &rst iresid = 1, iat = 20, 5, atnam(1) = 'H42', atnam(2) = 'H1', r1 = 1.430, r2 = 3.430, r3 = 3.530, r4 = 5.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 107 &rst iresid = 1, iat = 20, 19, atnam(1) = 'H42', atnam(2) = 'H62', r1 = 2.550, r2 = 4.550, r3 = 5.210, r4 = 7.210, rk2 =10.000, rk3 =10.000, &end # distance restraint # 108 &rst iresid = 1, iat = 20, 20, atnam(1) = 'H42', atnam(2) = 'H6', r1 = 1.580, r2 = 3.580, r3 = 3.730, r4 = 5.730, rk2 =10.000, rk3 =10.000, &end # distance restraint # 109 &rst iresid = 1, iat = 20, 20, atnam(1) = 'H42', atnam(2) = 'H5', r1 = 1.330, r2 = 3.330, r3 = 3.410, r4 = 5.410, rk2 =10.000, rk3 =10.000, &end # distance restraint # 110 &rst iresid = 1, iat = 21, 5, atnam(1) = 'H1''', atnam(2) = 'H1', r1 = 2.430, r2 = 4.430, r3 = 5.120, r4 = 7.120, rk2 =10.000, rk3 =10.000, &end # distance restraint # 111 &rst iresid = 1, iat = 21, 21, atnam(1) = 'H8', atnam(2) = 'H1''', r1 = 1.360, r2 = 3.360, r3 = 3.440, r4 = 5.440, rk2 =10.000, rk3 =10.000, &end # distance restraint # 112 &rst iresid = 1, iat = 21, 3, atnam(1) = 'H2', atnam(2) = 'H2', r1 = 1.200, r2 = 3.200, r3 = 3.260, r4 = 5.260, rk2 =10.000, rk3 =10.000, &end # distance restraint # 113 &rst iresid = 1, iat = 21, 4, atnam(1) = 'H2', atnam(2) = 'H3', r1 = 0.960, r2 = 2.960, r3 = 2.980, r4 = 4.980, rk2 =10.000, rk3 =10.000, &end # distance restraint # 114 &rst iresid = 1, iat = 21, 5, atnam(1) = 'H2', atnam(2) = 'H1', r1 = 1.720, r2 = 3.720, r3 = 3.880, r4 = 5.880, rk2 =10.000, rk3 =10.000, &end # distance restraint # 115 &rst iresid = 1, iat = 21, 5, atnam(1) = 'H2', atnam(2) = 'H22', r1 = 2.270, r2 = 4.270, r3 = 5.290, r4 = 7.290, rk2 =10.000, rk3 =10.000, &end # distance restraint # 116 &rst iresid = 1, iat = 21, 20, atnam(1) = 'H2', atnam(2) = 'H41', r1 = 2.090, r2 = 4.090, r3 = 4.620, r4 = 6.620, rk2 =10.000, rk3 =10.000, &end # distance restraint # 117 &rst iresid = 1, iat = 21, 21, atnam(1) = 'H2', atnam(2) = 'H1''', r1 = 1.870, r2 = 3.870, r3 = 4.090, r4 = 6.090, rk2 =10.000, rk3 =10.000, &end # distance restraint # 118 &rst iresid = 1, iat = 21, 21, atnam(1) = 'H2''''', atnam(2) = 'H1''', r1 = 1.040, r2 = 3.040, r3 = 3.080, r4 = 5.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 119 &rst iresid = 1, iat = -1, 21, atnam(2) = 'H4''', igr1 = 22, 22, 22, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.720, r2 = 4.720, r3 = 5.120, r4 = 7.120, rk2 =10.000, rk3 =10.000, &end # distance restraint # 120 &rst iresid = 1, iat = -1, 21, atnam(2) = 'H1''', igr1 = 22, 22, 22, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.630, r2 = 4.630, r3 = 4.860, r4 = 6.860, rk2 =10.000, rk3 =10.000, &end # distance restraint # 121 &rst iresid = 1, iat = -1, 22, atnam(2) = 'H1''', igr1 = 22, 22, 22, grnam1(1) = 'H71', grnam1(2) = 'H72', grnam1(3) = 'H73', r1 = 2.360, r2 = 4.360, r3 = 4.610, r4 = 6.610, rk2 =10.000, rk3 =10.000, &end # distance restraint # 122 &rst iresid = 1, iat = 22, 3, atnam(1) = 'H3', atnam(2) = 'H2', r1 = 1.020, r2 = 3.020, r3 = 3.050, r4 = 5.050, rk2 =10.000, rk3 =10.000, &end # distance restraint # 123 &rst iresid = 1, iat = 22, 21, atnam(1) = 'H3', atnam(2) = 'H2', r1 = 2.210, r2 = 4.210, r3 = 4.710, r4 = 6.710, rk2 =10.000, rk3 =10.000, &end # distance restraint # 124 &rst iresid = 1, iat = 22, 22, atnam(1) = 'H3', atnam(2) = 'H1''', r1 = 2.390, r2 = 4.390, r3 = 5.090, r4 = 7.090, rk2 =10.000, rk3 =10.000, &end # distance restraint # 125 &rst iresid = 1, iat = 22, -1, atnam(1) = 'H3', igr2 = 22, 22, 22, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 3.080, r2 = 5.080, r3 = 5.860, r4 = 7.860, rk2 =10.000, rk3 =10.000, &end # distance restraint # 126 &rst iresid = 1, iat = 22, -1, atnam(1) = 'H2''', igr2 = 22, 22, 22, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.180, r2 = 4.180, r3 = 4.370, r4 = 6.370, rk2 =10.000, rk3 =10.000, &end # distance restraint # 127 &rst iresid = 1, iat = 23, 23, atnam(1) = 'H1''', atnam(2) = 'H4''', r1 = 1.420, r2 = 3.420, r3 = 3.530, r4 = 5.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 128 &rst iresid = 1, iat = 23, -1, atnam(1) = 'H6', igr2 = 22, 22, 22, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.980, r2 = 4.980, r3 = 5.850, r4 = 7.850, rk2 =10.000, rk3 =10.000, &end # distance restraint # 129 &rst iresid = 1, iat = 23, 23, atnam(1) = 'H6', atnam(2) = 'H1''', r1 = 1.380, r2 = 3.380, r3 = 3.490, r4 = 5.490, rk2 =10.000, rk3 =10.000, &end # distance restraint # 130 &rst iresid = 1, iat = 23, 2, atnam(1) = 'H41', atnam(2) = 'H1', r1 = 2.280, r2 = 4.280, r3 = 5.190, r4 = 7.190, rk2 =10.000, rk3 =10.000, &end # distance restraint # 131 &rst iresid = 1, iat = 23, -1, atnam(1) = 'H41', igr2 = 22, 22, 22, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 2.400, r2 = 4.400, r3 = 4.590, r4 = 6.590, rk2 =10.000, rk3 =10.000, &end # distance restraint # 132 &rst iresid = 1, iat = 23, 23, atnam(1) = 'H41', atnam(2) = 'H6', r1 = 2.180, r2 = 4.180, r3 = 4.880, r4 = 6.880, rk2 =10.000, rk3 =10.000, &end # distance restraint # 133 &rst iresid = 1, iat = 23, 2, atnam(1) = 'H42', atnam(2) = 'H1', r1 = 2.120, r2 = 4.120, r3 = 4.730, r4 = 6.730, rk2 =10.000, rk3 =10.000, &end # distance restraint # 134 &rst iresid = 1, iat = 24, 23, atnam(1) = 'H8', atnam(2) = 'H6', r1 = 2.110, r2 = 4.110, r3 = 4.550, r4 = 6.550, rk2 =10.000, rk3 =10.000, &end # distance restraint # 135 &rst iresid = 1, iat = 25, 4, atnam(1) = 'HN02', atnam(2) = 'H1''', r1 = 0.940, r2 = 2.940, r3 = 2.970, r4 = 4.970, rk2 =10.000, rk3 =10.000, &end # distance restraint # 136 &rst iresid = 1, iat = 25, 21, atnam(1) = 'HN02', atnam(2) = 'H2', r1 = 1.690, r2 = 3.690, r3 = 3.890, r4 = 5.890, rk2 =10.000, rk3 =10.000, &end # distance restraint # 137 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN03', atnam(2) = 'H22', r1 = 2.470, r2 = 4.470, r3 = 6.170, r4 = 8.170, rk2 =10.000, rk3 =10.000, &end # distance restraint # 138 &rst iresid = 1, iat = 25, 21, atnam(1) = 'HN03', atnam(2) = 'H1''', r1 = 1.250, r2 = 3.250, r3 = 3.300, r4 = 5.300, rk2 =10.000, rk3 =10.000, &end # distance restraint # 139 &rst iresid = 1, iat = 25, 21, atnam(1) = 'HN03', atnam(2) = 'H2', r1 = 1.230, r2 = 3.230, r3 = 3.290, r4 = 5.290, rk2 =10.000, rk3 =10.000, &end # distance restraint # 140 &rst iresid = 1, iat = 25, 22, atnam(1) = 'HN03', atnam(2) = 'H1''', r1 = 1.680, r2 = 3.680, r3 = 3.860, r4 = 5.860, rk2 =10.000, rk3 =10.000, &end # distance restraint # 141 &rst iresid = 1, iat = 25, 5, atnam(1) = 'H13', atnam(2) = 'H1', r1 = 1.510, r2 = 3.510, r3 = 3.630, r4 = 5.630, rk2 =10.000, rk3 =10.000, &end # distance restraint # 142 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H13', atnam(2) = 'H3', r1 = 2.420, r2 = 4.420, r3 = 5.310, r4 = 7.310, rk2 =10.000, rk3 =10.000, &end # distance restraint # 143 &rst iresid = 1, iat = 25, 21, atnam(1) = 'H13', atnam(2) = 'H1''', r1 = 0.900, r2 = 2.900, r3 = 2.920, r4 = 4.920, rk2 =10.000, rk3 =10.000, &end # distance restraint # 144 &rst iresid = 1, iat = 25, 21, atnam(1) = 'H13', atnam(2) = 'H2', r1 = 1.500, r2 = 3.500, r3 = 3.630, r4 = 5.630, rk2 =10.000, rk3 =10.000, &end # distance restraint # 145 &rst iresid = 1, iat = 25, 21, atnam(1) = 'H13', atnam(2) = 'H3''', r1 = 2.190, r2 = 4.190, r3 = 4.840, r4 = 6.840, rk2 =10.000, rk3 =10.000, &end # distance restraint # 146 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN1', atnam(2) = 'H1', r1 = 1.920, r2 = 3.920, r3 = 4.140, r4 = 6.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 147 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN1', atnam(2) = 'H21', r1 = 1.350, r2 = 3.350, r3 = 3.430, r4 = 5.430, rk2 =10.000, rk3 =10.000, &end # distance restraint # 148 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN1', atnam(2) = 'H22', r1 = 1.530, r2 = 3.530, r3 = 3.680, r4 = 5.680, rk2 =10.000, rk3 =10.000, &end # distance restraint # 149 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN1', atnam(2) = 'H3', r1 = 2.560, r2 = 4.560, r3 = 6.090, r4 = 8.090, rk2 =10.000, rk3 =10.000, &end # distance restraint # 150 &rst iresid = 1, iat = 25, 19, atnam(1) = 'HN1', atnam(2) = 'H2', r1 = 1.760, r2 = 3.760, r3 = 3.960, r4 = 5.960, rk2 =10.000, rk3 =10.000, &end # distance restraint # 151 &rst iresid = 1, iat = 25, 20, atnam(1) = 'HN1', atnam(2) = 'H4''', r1 = 1.390, r2 = 3.390, r3 = 3.480, r4 = 5.480, rk2 =10.000, rk3 =10.000, &end # distance restraint # 152 &rst iresid = 1, iat = 25, 20, atnam(1) = 'HN1', atnam(2) = 'H6', r1 = 2.280, r2 = 4.280, r3 = 4.920, r4 = 6.920, rk2 =10.000, rk3 =10.000, &end # distance restraint # 153 &rst iresid = 1, iat = 25, 20, atnam(1) = 'HN1', atnam(2) = 'H3''', r1 = 2.480, r2 = 4.480, r3 = 5.710, r4 = 7.710, rk2 =10.000, rk3 =10.000, &end # distance restraint # 154 &rst iresid = 1, iat = 25, 21, atnam(1) = 'HN1', atnam(2) = 'H4''', r1 = 1.720, r2 = 3.720, r3 = 3.890, r4 = 5.890, rk2 =10.000, rk3 =10.000, &end # distance restraint # 155 &rst iresid = 1, iat = 25, 21, atnam(1) = 'HN1', atnam(2) = 'H1''', r1 = 1.870, r2 = 3.870, r3 = 4.100, r4 = 6.100, rk2 =10.000, rk3 =10.000, &end # distance restraint # 156 &rst iresid = 1, iat = 25, 21, atnam(1) = 'HN1', atnam(2) = 'H2', r1 = 2.370, r2 = 4.370, r3 = 5.150, r4 = 7.150, rk2 =10.000, rk3 =10.000, &end # distance restraint # 157 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H15', atnam(2) = 'HN1', r1 = 2.140, r2 = 4.140, r3 = 4.550, r4 = 6.550, rk2 =10.000, rk3 =10.000, &end # distance restraint # 158 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN2', atnam(2) = 'H3', r1 = 2.600, r2 = 4.600, r3 = 5.660, r4 = 7.660, rk2 =10.000, rk3 =10.000, &end # distance restraint # 159 &rst iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H4''', r1 = 2.070, r2 = 4.070, r3 = 4.430, r4 = 6.430, rk2 =10.000, rk3 =10.000, &end # distance restraint # 160 &rst iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H1''', r1 = 1.050, r2 = 3.050, r3 = 3.080, r4 = 5.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 161 &rst iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H2', r1 = 0.990, r2 = 2.990, r3 = 3.020, r4 = 5.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 162 &rst iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H2''', r1 = 2.060, r2 = 4.060, r3 = 4.600, r4 = 6.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 163 &rst iresid = 1, iat = 25, 19, atnam(1) = 'HN2', atnam(2) = 'H2''''', r1 = 1.820, r2 = 3.820, r3 = 4.120, r4 = 6.120, rk2 =10.000, rk3 =10.000, &end # distance restraint # 164 &rst iresid = 1, iat = 25, 20, atnam(1) = 'HN2', atnam(2) = 'H4''', r1 = 1.810, r2 = 3.810, r3 = 4.050, r4 = 6.050, rk2 =10.000, rk3 =10.000, &end # distance restraint # 165 &rst iresid = 1, iat = 25, 20, atnam(1) = 'HN2', atnam(2) = 'H1''', r1 = 1.710, r2 = 3.710, r3 = 3.870, r4 = 5.870, rk2 =10.000, rk3 =10.000, &end # distance restraint # 166 &rst iresid = 1, iat = 25, 20, atnam(1) = 'HN2', atnam(2) = 'H6', r1 = 2.370, r2 = 4.370, r3 = 5.320, r4 = 7.320, rk2 =10.000, rk3 =10.000, &end # distance restraint # 167 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN2', atnam(2) = 'HN1', r1 = 1.990, r2 = 3.990, r3 = 4.330, r4 = 6.330, rk2 =10.000, rk3 =10.000, &end # distance restraint # 168 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN3', atnam(2) = 'H21', r1 = 1.720, r2 = 3.720, r3 = 3.930, r4 = 5.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 169 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN3', atnam(2) = 'H22', r1 = 1.500, r2 = 3.500, r3 = 3.640, r4 = 5.640, rk2 =10.000, rk3 =10.000, &end # distance restraint # 170 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H4''', r1 = 1.850, r2 = 3.850, r3 = 4.080, r4 = 6.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 171 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H6', r1 = 2.220, r2 = 4.220, r3 = 4.700, r4 = 6.700, rk2 =10.000, rk3 =10.000, &end # distance restraint # 172 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN3', atnam(2) = 'H3''', r1 = 2.290, r2 = 4.290, r3 = 4.790, r4 = 6.790, rk2 =10.000, rk3 =10.000, &end # distance restraint # 173 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN3', atnam(2) = 'HN2', r1 = 1.970, r2 = 3.970, r3 = 4.180, r4 = 6.180, rk2 =10.000, rk3 =10.000, &end # distance restraint # 174 &rst iresid = 1, iat = 25, 19, atnam(1) = 'H25', atnam(2) = 'H2', r1 = 2.360, r2 = 4.360, r3 = 4.970, r4 = 6.970, rk2 =10.000, rk3 =10.000, &end # distance restraint # 175 &rst iresid = 1, iat = 25, 20, atnam(1) = 'H25', atnam(2) = 'H4''', r1 = 1.290, r2 = 3.290, r3 = 3.350, r4 = 5.350, rk2 =10.000, rk3 =10.000, &end # distance restraint # 176 &rst iresid = 1, iat = 25, 20, atnam(1) = 'H25', atnam(2) = 'H1''', r1 = 2.250, r2 = 4.250, r3 = 4.750, r4 = 6.750, rk2 =10.000, rk3 =10.000, &end # distance restraint # 177 &rst iresid = 1, iat = 25, 20, atnam(1) = 'H25', atnam(2) = 'H3''', r1 = 2.400, r2 = 4.400, r3 = 5.200, r4 = 7.200, rk2 =10.000, rk3 =10.000, &end # distance restraint # 178 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H25', atnam(2) = 'HN1', r1 = 2.590, r2 = 4.590, r3 = 5.850, r4 = 7.850, rk2 =10.000, rk3 =10.000, &end # distance restraint # 179 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H25', atnam(2) = 'HN2', r1 = 2.170, r2 = 4.170, r3 = 4.550, r4 = 6.550, rk2 =10.000, rk3 =10.000, &end # distance restraint # 180 &rst iresid = 1, iat = 25, 9, atnam(1) = 'HN4', atnam(2) = 'H2', r1 = 2.050, r2 = 4.050, r3 = 4.410, r4 = 6.410, rk2 =10.000, rk3 =10.000, &end # distance restraint # 181 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H4''', r1 = 2.340, r2 = 4.340, r3 = 5.030, r4 = 7.030, rk2 =10.000, rk3 =10.000, &end # distance restraint # 182 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H1''', r1 = 1.070, r2 = 3.070, r3 = 3.110, r4 = 5.110, rk2 =10.000, rk3 =10.000, &end # distance restraint # 183 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H1', r1 = 1.900, r2 = 3.900, r3 = 4.140, r4 = 6.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 184 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H21', r1 = 1.370, r2 = 3.370, r3 = 3.490, r4 = 5.490, rk2 =10.000, rk3 =10.000, &end # distance restraint # 185 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H22', r1 = 1.150, r2 = 3.150, r3 = 3.200, r4 = 5.200, rk2 =10.000, rk3 =10.000, &end # distance restraint # 186 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN4', atnam(2) = 'H2''', r1 = 1.610, r2 = 3.610, r3 = 3.810, r4 = 5.810, rk2 =10.000, rk3 =10.000, &end # distance restraint # 187 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H4''', r1 = 2.130, r2 = 4.130, r3 = 4.690, r4 = 6.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 188 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H1''', r1 = 2.200, r2 = 4.200, r3 = 4.750, r4 = 6.750, rk2 =10.000, rk3 =10.000, &end # distance restraint # 189 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H6', r1 = 2.450, r2 = 4.450, r3 = 5.600, r4 = 7.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 190 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN4', atnam(2) = 'H3', r1 = 2.400, r2 = 4.400, r3 = 5.260, r4 = 7.260, rk2 =10.000, rk3 =10.000, &end # distance restraint # 191 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN4', atnam(2) = 'HN3', r1 = 2.160, r2 = 4.160, r3 = 4.570, r4 = 6.570, rk2 =10.000, rk3 =10.000, &end # distance restraint # 192 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H23', atnam(2) = 'H3', r1 = 2.230, r2 = 4.230, r3 = 4.670, r4 = 6.670, rk2 =10.000, rk3 =10.000, &end # distance restraint # 193 &rst iresid = 1, iat = 25, 20, atnam(1) = 'H23', atnam(2) = 'H1''', r1 = 1.290, r2 = 3.290, r3 = 3.370, r4 = 5.370, rk2 =10.000, rk3 =10.000, &end # distance restraint # 194 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H23', atnam(2) = 'H15', r1 = 2.290, r2 = 4.290, r3 = 4.840, r4 = 6.840, rk2 =10.000, rk3 =10.000, &end # distance restraint # 195 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H23', atnam(2) = 'HN2', r1 = 1.170, r2 = 3.170, r3 = 3.220, r4 = 5.220, rk2 =10.000, rk3 =10.000, &end # distance restraint # 196 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H23', atnam(2) = 'H25', r1 = 2.240, r2 = 4.240, r3 = 4.740, r4 = 6.740, rk2 =10.000, rk3 =10.000, &end # distance restraint # 197 &rst iresid = 1, iat = 25, 9, atnam(1) = 'HN9', atnam(2) = 'H1''', r1 = 0.990, r2 = 2.990, r3 = 3.040, r4 = 5.040, rk2 =10.000, rk3 =10.000, &end # distance restraint # 198 &rst iresid = 1, iat = 25, 9, atnam(1) = 'HN9', atnam(2) = 'H2', r1 = 1.290, r2 = 3.290, r3 = 3.370, r4 = 5.370, rk2 =10.000, rk3 =10.000, &end # distance restraint # 199 &rst iresid = 1, iat = 25, 10, atnam(1) = 'HN9', atnam(2) = 'H4''', r1 = 1.940, r2 = 3.940, r3 = 4.250, r4 = 6.250, rk2 =10.000, rk3 =10.000, &end # distance restraint # 200 &rst iresid = 1, iat = 25, 10, atnam(1) = 'HN9', atnam(2) = 'H1''', r1 = 1.800, r2 = 3.800, r3 = 4.080, r4 = 6.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 201 &rst iresid = 1, iat = 25, 16, atnam(1) = 'HN9', atnam(2) = 'H3', r1 = 2.300, r2 = 4.300, r3 = 4.990, r4 = 6.990, rk2 =10.000, rk3 =10.000, &end # distance restraint # 202 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN9', atnam(2) = 'H1', r1 = 2.050, r2 = 4.050, r3 = 4.520, r4 = 6.520, rk2 =10.000, rk3 =10.000, &end # distance restraint # 203 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN9', atnam(2) = 'H21', r1 = 1.600, r2 = 3.600, r3 = 3.810, r4 = 5.810, rk2 =10.000, rk3 =10.000, &end # distance restraint # 204 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN9', atnam(2) = 'H22', r1 = 1.650, r2 = 3.650, r3 = 3.890, r4 = 5.890, rk2 =10.000, rk3 =10.000, &end # distance restraint # 205 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN9', atnam(2) = 'HN4', r1 = 2.030, r2 = 4.030, r3 = 4.280, r4 = 6.280, rk2 =10.000, rk3 =10.000, &end # distance restraint # 206 &rst iresid = 1, iat = 25, 7, atnam(1) = 'HN5', atnam(2) = 'H2', r1 = 1.660, r2 = 3.660, r3 = 3.830, r4 = 5.830, rk2 =10.000, rk3 =10.000, &end # distance restraint # 207 &rst iresid = 1, iat = 25, 8, atnam(1) = 'HN5', atnam(2) = 'H6', r1 = 1.940, r2 = 3.940, r3 = 4.560, r4 = 6.560, rk2 =10.000, rk3 =10.000, &end # distance restraint # 208 &rst iresid = 1, iat = 25, 8, atnam(1) = 'HN5', atnam(2) = 'H3''', r1 = 2.450, r2 = 4.450, r3 = 5.490, r4 = 7.490, rk2 =10.000, rk3 =10.000, &end # distance restraint # 209 &rst iresid = 1, iat = 25, 9, atnam(1) = 'HN5', atnam(2) = 'H4''', r1 = 1.760, r2 = 3.760, r3 = 3.970, r4 = 5.970, rk2 =10.000, rk3 =10.000, &end # distance restraint # 210 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN5', atnam(2) = 'H21', r1 = 1.420, r2 = 3.420, r3 = 3.530, r4 = 5.530, rk2 =10.000, rk3 =10.000, &end # distance restraint # 211 &rst iresid = 1, iat = 25, 17, atnam(1) = 'HN5', atnam(2) = 'H22', r1 = 1.570, r2 = 3.570, r3 = 3.700, r4 = 5.700, rk2 =10.000, rk3 =10.000, &end # distance restraint # 212 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN5', atnam(2) = 'HN3', r1 = 2.060, r2 = 4.060, r3 = 4.390, r4 = 6.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 213 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN5', atnam(2) = 'HN9', r1 = 1.860, r2 = 3.860, r3 = 4.100, r4 = 6.100, rk2 =10.000, rk3 =10.000, &end # distance restraint # 214 &rst iresid = 1, iat = 25, 7, atnam(1) = 'HN6', atnam(2) = 'H4''', r1 = 2.320, r2 = 4.320, r3 = 4.930, r4 = 6.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 215 &rst iresid = 1, iat = 25, 7, atnam(1) = 'HN6', atnam(2) = 'H1''', r1 = 1.020, r2 = 3.020, r3 = 3.060, r4 = 5.060, rk2 =10.000, rk3 =10.000, &end # distance restraint # 216 &rst iresid = 1, iat = 25, 7, atnam(1) = 'HN6', atnam(2) = 'H2', r1 = 1.020, r2 = 3.020, r3 = 3.050, r4 = 5.050, rk2 =10.000, rk3 =10.000, &end # distance restraint # 217 &rst iresid = 1, iat = 25, 7, atnam(1) = 'HN6', atnam(2) = 'H2''', r1 = 1.650, r2 = 3.650, r3 = 3.770, r4 = 5.770, rk2 =10.000, rk3 =10.000, &end # distance restraint # 218 &rst iresid = 1, iat = 25, 8, atnam(1) = 'HN6', atnam(2) = 'H1''', r1 = 1.730, r2 = 3.730, r3 = 3.900, r4 = 5.900, rk2 =10.000, rk3 =10.000, &end # distance restraint # 219 &rst iresid = 1, iat = 25, 8, atnam(1) = 'HN6', atnam(2) = 'H6', r1 = 2.190, r2 = 4.190, r3 = 5.340, r4 = 7.340, rk2 =10.000, rk3 =10.000, &end # distance restraint # 220 &rst iresid = 1, iat = 25, 18, atnam(1) = 'HN6', atnam(2) = 'H3', r1 = 2.530, r2 = 4.530, r3 = 5.570, r4 = 7.570, rk2 =10.000, rk3 =10.000, &end # distance restraint # 221 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN6', atnam(2) = 'HN2', r1 = 2.090, r2 = 4.090, r3 = 4.450, r4 = 6.450, rk2 =10.000, rk3 =10.000, &end # distance restraint # 222 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN6', atnam(2) = 'H25', r1 = 2.600, r2 = 4.600, r3 = 5.380, r4 = 7.380, rk2 =10.000, rk3 =10.000, &end # distance restraint # 223 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN6', atnam(2) = 'H23', r1 = 2.170, r2 = 4.170, r3 = 4.620, r4 = 6.620, rk2 =10.000, rk3 =10.000, &end # distance restraint # 224 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN6', atnam(2) = 'HN5', r1 = 2.030, r2 = 4.030, r3 = 4.330, r4 = 6.330, rk2 =10.000, rk3 =10.000, &end # distance restraint # 225 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN7', atnam(2) = 'H1', r1 = 2.350, r2 = 4.350, r3 = 5.000, r4 = 7.000, rk2 =10.000, rk3 =10.000, &end # distance restraint # 226 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN7', atnam(2) = 'H21', r1 = 1.670, r2 = 3.670, r3 = 3.900, r4 = 5.900, rk2 =10.000, rk3 =10.000, &end # distance restraint # 227 &rst iresid = 1, iat = 25, 5, atnam(1) = 'HN7', atnam(2) = 'H22', r1 = 1.400, r2 = 3.400, r3 = 3.520, r4 = 5.520, rk2 =10.000, rk3 =10.000, &end # distance restraint # 228 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H1''', r1 = 0.850, r2 = 2.850, r3 = 2.870, r4 = 4.870, rk2 =10.000, rk3 =10.000, &end # distance restraint # 229 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H6', r1 = 2.570, r2 = 4.570, r3 = 6.520, r4 = 8.520, rk2 =10.000, rk3 =10.000, &end # distance restraint # 230 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H3', r1 = 2.320, r2 = 4.320, r3 = 4.730, r4 = 6.730, rk2 =10.000, rk3 =10.000, &end # distance restraint # 231 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H3''', r1 = 3.550, r2 = 5.550, r3 = 7.630, r4 = 9.630, rk2 =10.000, rk3 =10.000, &end # distance restraint # 232 &rst iresid = 1, iat = 25, 6, atnam(1) = 'HN7', atnam(2) = 'H2''''', r1 = 0.300, r2 = 2.300, r3 = 2.310, r4 = 4.310, rk2 =10.000, rk3 =10.000, &end # distance restraint # 233 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'H13', r1 = 2.080, r2 = 4.080, r3 = 4.540, r4 = 6.540, rk2 =10.000, rk3 =10.000, &end # distance restraint # 234 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'HN1', r1 = 2.050, r2 = 4.050, r3 = 4.390, r4 = 6.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 235 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'H15', r1 = 2.350, r2 = 4.350, r3 = 5.120, r4 = 7.120, rk2 =10.000, rk3 =10.000, &end # distance restraint # 236 &rst iresid = 1, iat = 25, 25, atnam(1) = 'HN7', atnam(2) = 'HN6', r1 = 1.850, r2 = 3.850, r3 = 4.060, r4 = 6.060, rk2 =10.000, rk3 =10.000, &end # distance restraint # 237 &rst iresid = 1, iat = 25, 18, atnam(1) = 'H44', atnam(2) = 'H1''', r1 = 2.120, r2 = 4.120, r3 = 4.500, r4 = 6.500, rk2 =10.000, rk3 =10.000, &end # distance restraint # 238 &rst iresid = 1, iat = 25, 18, atnam(1) = 'H44', atnam(2) = 'H3''', r1 = 2.050, r2 = 4.050, r3 = 4.340, r4 = 6.340, rk2 =10.000, rk3 =10.000, &end # distance restraint # 239 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H44', atnam(2) = 'HN4', r1 = 2.150, r2 = 4.150, r3 = 4.500, r4 = 6.500, rk2 =10.000, rk3 =10.000, &end # distance restraint # 240 &rst iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H4''', r1 = 1.580, r2 = 3.580, r3 = 3.730, r4 = 5.730, rk2 =10.000, rk3 =10.000, &end # distance restraint # 241 &rst iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H1''', r1 = 0.980, r2 = 2.980, r3 = 3.020, r4 = 5.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 242 &rst iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H3''', r1 = 2.260, r2 = 4.260, r3 = 4.930, r4 = 6.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 243 &rst iresid = 1, iat = 25, 9, atnam(1) = 'H53', atnam(2) = 'H2''''', r1 = 1.570, r2 = 3.570, r3 = 3.750, r4 = 5.750, rk2 =10.000, rk3 =10.000, &end # distance restraint # 244 &rst iresid = 1, iat = 25, 10, atnam(1) = 'H53', atnam(2) = 'H6', r1 = 2.270, r2 = 4.270, r3 = 4.790, r4 = 6.790, rk2 =10.000, rk3 =10.000, &end # distance restraint # 245 &rst iresid = 1, iat = 25, 17, atnam(1) = 'H53', atnam(2) = 'H21', r1 = 0.970, r2 = 2.970, r3 = 3.020, r4 = 5.020, rk2 =10.000, rk3 =10.000, &end # distance restraint # 246 &rst iresid = 1, iat = 25, 17, atnam(1) = 'H53', atnam(2) = 'H22', r1 = 1.100, r2 = 3.100, r3 = 3.170, r4 = 5.170, rk2 =10.000, rk3 =10.000, &end # distance restraint # 247 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN3', r1 = 2.160, r2 = 4.160, r3 = 4.490, r4 = 6.490, rk2 =10.000, rk3 =10.000, &end # distance restraint # 248 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN4', r1 = 1.620, r2 = 3.620, r3 = 3.790, r4 = 5.790, rk2 =10.000, rk3 =10.000, &end # distance restraint # 249 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H53', atnam(2) = 'HN5', r1 = 1.130, r2 = 3.130, r3 = 3.180, r4 = 5.180, rk2 =10.000, rk3 =10.000, &end # distance restraint # 250 &rst iresid = 1, iat = 25, 9, atnam(1) = 'H55', atnam(2) = 'H4''', r1 = 1.220, r2 = 3.220, r3 = 3.270, r4 = 5.270, rk2 =10.000, rk3 =10.000, &end # distance restraint # 251 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'HN3', r1 = 2.540, r2 = 4.540, r3 = 5.310, r4 = 7.310, rk2 =10.000, rk3 =10.000, &end # distance restraint # 252 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'HN5', r1 = 1.990, r2 = 3.990, r3 = 4.260, r4 = 6.260, rk2 =10.000, rk3 =10.000, &end # distance restraint # 253 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'H44', r1 = 2.180, r2 = 4.180, r3 = 4.580, r4 = 6.580, rk2 =10.000, rk3 =10.000, &end # distance restraint # 254 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H55', atnam(2) = 'H53', r1 = 2.180, r2 = 4.180, r3 = 4.560, r4 = 6.560, rk2 =10.000, rk3 =10.000, &end # distance restraint # 255 &rst iresid = 1, iat = 25, 8, atnam(1) = 'H63', atnam(2) = 'H1''', r1 = 1.570, r2 = 3.570, r3 = 3.700, r4 = 5.700, rk2 =10.000, rk3 =10.000, &end # distance restraint # 256 &rst iresid = 1, iat = 25, 8, atnam(1) = 'H63', atnam(2) = 'H6', r1 = 1.840, r2 = 3.840, r3 = 4.280, r4 = 6.280, rk2 =10.000, rk3 =10.000, &end # distance restraint # 258 &rst iresid = 1, iat = 25, 17, atnam(1) = 'H63', atnam(2) = 'H21', r1 = 1.740, r2 = 3.740, r3 = 4.010, r4 = 6.010, rk2 =10.000, rk3 =10.000, &end # distance restraint # 259 &rst iresid = 1, iat = 25, 17, atnam(1) = 'H63', atnam(2) = 'H22', r1 = 1.950, r2 = 3.950, r3 = 4.330, r4 = 6.330, rk2 =10.000, rk3 =10.000, &end # distance restraint # 261 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H63', atnam(2) = 'HN2', r1 = 2.010, r2 = 4.010, r3 = 4.350, r4 = 6.350, rk2 =10.000, rk3 =10.000, &end # distance restraint # 262 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H63', atnam(2) = 'HN3', r1 = 2.060, r2 = 4.060, r3 = 4.340, r4 = 6.340, rk2 =10.000, rk3 =10.000, &end # distance restraint # 264 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H63', atnam(2) = 'H53', r1 = 1.590, r2 = 3.590, r3 = 3.720, r4 = 5.720, rk2 =10.000, rk3 =10.000, &end # distance restraint # 265 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H63', atnam(2) = 'H55', r1 = 2.590, r2 = 4.590, r3 = 5.880, r4 = 7.880, rk2 =10.000, rk3 =10.000, &end # distance restraint # 266 &rst iresid = 1, iat = 25, 8, atnam(1) = 'H65', atnam(2) = 'H1''', r1 = 2.120, r2 = 4.120, r3 = 4.550, r4 = 6.550, rk2 =10.000, rk3 =10.000, &end # distance restraint # 267 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H65', atnam(2) = 'HN6', r1 = 2.080, r2 = 4.080, r3 = 4.390, r4 = 6.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 268 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H65', atnam(2) = 'H63', r1 = 2.060, r2 = 4.060, r3 = 4.390, r4 = 6.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 269 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H75', atnam(2) = 'HN7', r1 = 1.040, r2 = 3.040, r3 = 3.080, r4 = 5.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 270 &rst iresid = 1, iat = 25, 17, atnam(1) = 'H33', atnam(2) = 'H21', r1 = 2.260, r2 = 4.260, r3 = 5.080, r4 = 7.080, rk2 =10.000, rk3 =10.000, &end # distance restraint # 271 &rst iresid = 1, iat = 25, 17, atnam(1) = 'H33', atnam(2) = 'H22', r1 = 2.090, r2 = 4.090, r3 = 4.600, r4 = 6.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 272 &rst iresid = 1, iat = 25, 19, atnam(1) = 'H33', atnam(2) = 'H1''', r1 = 0.900, r2 = 2.900, r3 = 2.930, r4 = 4.930, rk2 =10.000, rk3 =10.000, &end # distance restraint # 273 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'HN2', r1 = 0.750, r2 = 2.750, r3 = 2.760, r4 = 4.760, rk2 =10.000, rk3 =10.000, &end # distance restraint # 274 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'HN3', r1 = 1.030, r2 = 3.030, r3 = 3.060, r4 = 5.060, rk2 =10.000, rk3 =10.000, &end # distance restraint # 275 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'H25', r1 = 2.470, r2 = 4.470, r3 = 5.370, r4 = 7.370, rk2 =10.000, rk3 =10.000, &end # distance restraint # 276 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'H35', r1 = 1.940, r2 = 3.940, r3 = 4.200, r4 = 6.200, rk2 =10.000, rk3 =10.000, &end # distance restraint # 277 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H33', atnam(2) = 'HN6', r1 = 1.940, r2 = 3.940, r3 = 4.220, r4 = 6.220, rk2 =10.000, rk3 =10.000, &end # distance restraint # 278 &rst iresid = 1, iat = 25, 5, atnam(1) = 'H73', atnam(2) = 'H22', r1 = 2.130, r2 = 4.130, r3 = 4.600, r4 = 6.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 279 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H73', atnam(2) = 'H3', r1 = 2.210, r2 = 4.210, r3 = 4.600, r4 = 6.600, rk2 =10.000, rk3 =10.000, &end # distance restraint # 280 &rst iresid = 1, iat = 25, 7, atnam(1) = 'H73', atnam(2) = 'H1''', r1 = 1.040, r2 = 3.040, r3 = 3.070, r4 = 5.070, rk2 =10.000, rk3 =10.000, &end # distance restraint # 281 &rst iresid = 1, iat = 25, 7, atnam(1) = 'H73', atnam(2) = 'H2''', r1 = 1.530, r2 = 3.530, r3 = 3.690, r4 = 5.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 282 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H13', r1 = 2.360, r2 = 4.360, r3 = 5.260, r4 = 7.260, rk2 =10.000, rk3 =10.000, &end # distance restraint # 283 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN1', r1 = 2.170, r2 = 4.170, r3 = 4.690, r4 = 6.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 284 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN2', r1 = 1.950, r2 = 3.950, r3 = 4.230, r4 = 6.230, rk2 =10.000, rk3 =10.000, &end # distance restraint # 285 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H25', r1 = 2.510, r2 = 4.510, r3 = 5.390, r4 = 7.390, rk2 =10.000, rk3 =10.000, &end # distance restraint # 286 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H23', r1 = 1.530, r2 = 3.530, r3 = 3.630, r4 = 5.630, rk2 =10.000, rk3 =10.000, &end # distance restraint # 287 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN6', r1 = 0.730, r2 = 2.730, r3 = 2.740, r4 = 4.740, rk2 =10.000, rk3 =10.000, &end # distance restraint # 288 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'HN7', r1 = 0.930, r2 = 2.930, r3 = 2.960, r4 = 4.960, rk2 =10.000, rk3 =10.000, &end # distance restraint # 289 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H63', r1 = 1.690, r2 = 3.690, r3 = 3.850, r4 = 5.850, rk2 =10.000, rk3 =10.000, &end # distance restraint # 290 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H75', r1 = 1.940, r2 = 3.940, r3 = 4.210, r4 = 6.210, rk2 =10.000, rk3 =10.000, &end # distance restraint # 291 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H73', atnam(2) = 'H33', r1 = 1.980, r2 = 3.980, r3 = 4.290, r4 = 6.290, rk2 =10.000, rk3 =10.000, &end # distance restraint # 292 &rst iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H1''', r1 = 0.840, r2 = 2.840, r3 = 2.860, r4 = 4.860, rk2 =10.000, rk3 =10.000, &end # distance restraint # 293 &rst iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H1', r1 = 1.930, r2 = 3.930, r3 = 4.150, r4 = 6.150, rk2 =10.000, rk3 =10.000, &end # distance restraint # 294 &rst iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H21', r1 = 1.320, r2 = 3.320, r3 = 3.410, r4 = 5.410, rk2 =10.000, rk3 =10.000, &end # distance restraint # 295 &rst iresid = 1, iat = 25, 5, atnam(1) = 'H83', atnam(2) = 'H22', r1 = 1.090, r2 = 3.090, r3 = 3.140, r4 = 5.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 296 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H1''', r1 = 1.890, r2 = 3.890, r3 = 4.140, r4 = 6.140, rk2 =10.000, rk3 =10.000, &end # distance restraint # 297 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H6', r1 = 2.110, r2 = 4.110, r3 = 4.480, r4 = 6.480, rk2 =10.000, rk3 =10.000, &end # distance restraint # 298 &rst iresid = 1, iat = 25, -1, atnam(1) = 'H83', igr2 = 6, 6, 6, grnam2(1) = 'H71', grnam2(2) = 'H72', grnam2(3) = 'H73', r1 = 3.030, r2 = 5.030, r3 = 5.960, r4 = 7.960, rk2 =10.000, rk3 =10.000, &end # distance restraint # 299 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H3', r1 = 2.360, r2 = 4.360, r3 = 5.010, r4 = 7.010, rk2 =10.000, rk3 =10.000, &end # distance restraint # 300 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H3''', r1 = 2.530, r2 = 4.530, r3 = 5.690, r4 = 7.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 301 &rst iresid = 1, iat = 25, 6, atnam(1) = 'H83', atnam(2) = 'H2''''', r1 = 2.010, r2 = 4.010, r3 = 4.550, r4 = 6.550, rk2 =10.000, rk3 =10.000, &end # distance restraint # 302 &rst iresid = 1, iat = 25, 21, atnam(1) = 'H83', atnam(2) = 'H2', r1 = 2.090, r2 = 4.090, r3 = 4.490, r4 = 6.490, rk2 =10.000, rk3 =10.000, &end # distance restraint # 303 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN02', r1 = 2.210, r2 = 4.210, r3 = 4.710, r4 = 6.710, rk2 =10.000, rk3 =10.000, &end # distance restraint # 304 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN03', r1 = 1.970, r2 = 3.970, r3 = 4.270, r4 = 6.270, rk2 =10.000, rk3 =10.000, &end # distance restraint # 305 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'H13', r1 = 1.570, r2 = 3.570, r3 = 3.700, r4 = 5.700, rk2 =10.000, rk3 =10.000, &end # distance restraint # 306 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN1', r1 = 2.170, r2 = 4.170, r3 = 4.690, r4 = 6.690, rk2 =10.000, rk3 =10.000, &end # distance restraint # 307 &rst iresid = 1, iat = 25, 25, atnam(1) = 'H83', atnam(2) = 'HN7', r1 = 1.900, r2 = 3.900, r3 = 4.120, r4 = 6.120, rk2 =10.000, rk3 =10.000, &end # distance restraint # 308 &rst iresid = 1, iat = -1, 18, atnam(2) = 'H1''', igr1 = 25, 25, 25, grnam1(1) = 'H441', grnam1(2) = 'H442', grnam1(3) = 'H443', r1 = 2.660, r2 = 4.660, r3 = 5.070, r4 = 7.070, rk2 =10.000, rk3 =10.000, &end # distance restraint # 309 &rst iresid = 1, iat = -1, 25, atnam(2) = 'HN3', igr1 = 25, 25, 25, grnam1(1) = 'H441', grnam1(2) = 'H442', grnam1(3) = 'H443', r1 = 2.880, r2 = 4.880, r3 = 5.300, r4 = 7.300, rk2 =10.000, rk3 =10.000, &end # distance restraint # 310 &rst iresid = 1, iat = -1, 25, atnam(2) = 'HN2', igr1 = 25, 25, 25, grnam1(1) = 'H331', grnam1(2) = 'H332', grnam1(3) = 'H333', r1 = 2.880, r2 = 4.880, r3 = 5.380, r4 = 7.380, rk2 =10.000, rk3 =10.000, &end # distance restraint # 311 &rst iresid = 1, iat = -1, 25, atnam(2) = 'HN6', igr1 = 25, 25, 25, grnam1(1) = 'H771', grnam1(2) = 'H772', grnam1(3) = 'H773', r1 = 2.940, r2 = 4.940, r3 = 5.480, r4 = 7.480, rk2 =10.000, rk3 =10.000, &end # distance restraint # 312 &rst iresid = 1, iat = -1, 25, atnam(2) = 'H15', igr1 = 25, 25, 25, grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883', r1 = 2.150, r2 = 4.150, r3 = 4.240, r4 = 6.240, rk2 =10.000, rk3 =10.000, &end # distance restraint # 313 &rst iresid = 1, iat = -1, 25, atnam(2) = 'HN7', igr1 = 25, 25, 25, grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883', r1 = 2.880, r2 = 4.880, r3 = 5.440, r4 = 7.440, rk2 =10.000, rk3 =10.000, &end # distance restraint # 314 &rst iresid = 1, iat = -1, 25, atnam(2) = 'H75', igr1 = 25, 25, 25, grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883', r1 = 2.710, r2 = 4.710, r3 = 4.960, r4 = 6.960, rk2 =10.000, rk3 =10.000, &end # distance restraint # 315 &rst iresid = 1, iat = -1, 25, atnam(2) = 'H83', igr1 = 25, 25, 25, grnam1(1) = 'H881', grnam1(2) = 'H882', grnam1(3) = 'H883', r1 = 2.780, r2 = 4.780, r3 = 5.410, r4 = 7.410, rk2 =10.000, rk3 =10.000, &end
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