*HEADER    DNA                                     16-JUN-16   5KIF              
*TITLE     STRUCTURAL IMPACT OF SINGLE RIBONUCLEOTIDES IN DNA                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3');     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3');                 
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630;                                               
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   8 ORGANISM_TAXID: 32630                                                
*KEYWDS    DNA, RNA, RIBONUCLEOTIDES                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    3                                                                     
*AUTHOR    M.EVICH,A.M.SPRING-CONNELL,F.STORICI,M.W.GERMANN                      
*REVDAT   1   24-AUG-16 5KIF    0                                                
# Restraints file 1: rG_CxG_restraintlist.rst
# distance constraint number   1
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.690, r2 = 2.690, r3 = 3.040, r4 = 5.040,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   2
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.090, r2 = 3.090, r3 = 3.830, r4 = 5.830,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   3
 &rst  iat = -1 ,  28, ir6=1,
       igr1 =  48,  49,  50,
       r1 = 1.590, r2 = 3.590, r3 = 3.890, r4 = 5.890,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   4
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.970, r2 = 2.970, r3 = 4.550, r4 = 6.550,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   5
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.000, r2 = 1.810, r3 = 1.980, r4 = 3.980,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   6
 &rst  iat =  60, -1 ,
       igr2 =  48,  49,  50,
       r1 = 2.440, r2 = 4.440, r3 = 5.600, r4 = 7.600,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   7
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.190, r2 = 2.190, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   8
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.930, r2 = 2.930, r3 = 4.820, r4 = 6.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   9
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.240, r2 = 3.240, r3 = 4.190, r4 = 6.190,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  10
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.180, r2 = 3.180, r3 = 4.110, r4 = 6.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  11
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.080, r2 = 3.080, r3 = 3.850, r4 = 5.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  12
 &rst  iat =  79, -1 ,
       igr2 =  48,  49,  50,
       r1 = 2.190, r2 = 4.190, r3 = 5.650, r4 = 7.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  13
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.950, r2 = 2.950, r3 = 3.280, r4 = 5.280,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  14
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.090, r2 = 3.090, r3 = 4.500, r4 = 6.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  15
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.240, r2 = 2.240, r3 = 2.480, r4 = 4.480,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  16
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.860, r2 = 2.860, r3 = 3.870, r4 = 5.870,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  17
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.220, r2 = 3.220, r3 = 4.560, r4 = 6.560,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  18
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.420, r2 = 3.420, r3 = 4.760, r4 = 6.760,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  19
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.960, r2 = 2.960, r3 = 3.870, r4 = 5.870,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  20
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.740, r2 = 2.740, r3 = 4.060, r4 = 6.060,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  21
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.760, r2 = 3.760, r3 = 4.960, r4 = 6.960,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  22
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.270, r2 = 2.270, r3 = 2.500, r4 = 4.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  23
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.420, r2 = 3.420, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  24
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 1.750, r2 = 3.750, r3 = 5.360, r4 = 7.360,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  25
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 0.980, r2 = 2.980, r3 = 3.540, r4 = 5.540,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  26
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.810, r2 = 2.810, r3 = 3.150, r4 = 5.150,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  27
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.600, r2 = 3.600, r3 = 4.540, r4 = 6.540,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  28
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.420, r2 = 3.420, r3 = 4.150, r4 = 6.150,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  29
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.530, r2 = 2.530, r3 = 2.670, r4 = 4.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  30
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.030, r2 = 3.030, r3 = 3.220, r4 = 5.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  31
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.310, r2 = 3.310, r3 = 3.810, r4 = 5.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  32
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.530, r2 = 3.530, r3 = 4.720, r4 = 6.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  33
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.300, r2 = 3.300, r3 = 4.250, r4 = 6.250,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  34
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.070, r2 = 3.070, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  35
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.650, r2 = 2.650, r3 = 3.380, r4 = 5.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  36
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.510, r2 = 2.510, r3 = 2.650, r4 = 4.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  37
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.470, r2 = 2.470, r3 = 2.760, r4 = 4.760,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  38
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.260, r2 = 2.260, r3 = 2.450, r4 = 4.450,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  39
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.760, r2 = 2.760, r3 = 3.690, r4 = 5.690,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  40
 &rst  iat = -1 , 168,
       igr1 = 207, 208, 209,
       r1 = 2.350, r2 = 4.350, r3 = 5.480, r4 = 7.480,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  41
 &rst  iat = -1 , 171,
       igr1 = 207, 208, 209,
       r1 = 1.920, r2 = 3.920, r3 = 4.200, r4 = 6.200,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  42
 &rst  iat = -1 , 185,
       igr1 = 207, 208, 209,
       r1 = 1.460, r2 = 3.460, r3 = 3.800, r4 = 5.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  43
 &rst  iat = -1 , 187,
       igr1 = 207, 208, 209,
       r1 = 1.240, r2 = 3.240, r3 = 3.710, r4 = 5.710,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  44
 &rst  iat = -1 , 188,
       igr1 = 207, 208, 209,
       r1 = 1.550, r2 = 3.550, r3 = 4.950, r4 = 6.950,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  45
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.340, r2 = 2.340, r3 = 2.500, r4 = 4.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  46
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.430, r2 = 3.430, r3 = 4.930, r4 = 6.930,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  47
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.820, r2 = 2.820, r3 = 3.230, r4 = 5.230,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  48
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.320, r2 = 3.320, r3 = 4.240, r4 = 6.240,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  49
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.560, r2 = 3.560, r3 = 4.620, r4 = 6.620,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  50
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.540, r2 = 3.540, r3 = 4.800, r4 = 6.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  51
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.780, r2 = 2.780, r3 = 3.880, r4 = 5.880,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  52
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.140, r2 = 2.140, r3 = 2.290, r4 = 4.290,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  53
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.250, r2 = 2.250, r3 = 2.480, r4 = 4.480,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  54
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.200, r2 = 2.200, r3 = 2.390, r4 = 4.390,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  55
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.250, r2 = 3.250, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  56
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.550, r2 = 2.550, r3 = 2.980, r4 = 4.980,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  57
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.460, r2 = 3.460, r3 = 4.520, r4 = 6.520,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  58
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.730, r2 = 2.730, r3 = 2.930, r4 = 4.930,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  59
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.550, r2 = 3.550, r3 = 4.810, r4 = 6.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  60
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.660, r2 = 2.660, r3 = 3.690, r4 = 5.690,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  61
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.510, r2 = 2.510, r3 = 2.720, r4 = 4.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  62
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.120, r2 = 3.120, r3 = 3.460, r4 = 5.460,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  63
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.500, r2 = 3.500, r3 = 4.600, r4 = 6.600,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  64
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.150, r2 = 3.150, r3 = 3.600, r4 = 5.600,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  65
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.220, r2 = 3.220, r3 = 4.530, r4 = 6.530,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  66
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.590, r2 = 2.590, r3 = 2.790, r4 = 4.790,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  67
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.590, r2 = 2.590, r3 = 2.810, r4 = 4.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  68
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.190, r2 = 2.190, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  69
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 1.780, r2 = 3.780, r3 = 4.850, r4 = 6.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  70
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.560, r2 = 4.560, r3 = 5.770, r4 = 7.770,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  71
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.270, r2 = 3.270, r3 = 4.070, r4 = 6.070,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  72
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.120, r2 = 3.120, r3 = 3.500, r4 = 5.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  73
 &rst  iat = -1 , 297,
       igr1 = 333, 334, 335,
       r1 = 2.960, r2 = 4.960, r3 = 6.490, r4 = 8.490,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  74
 &rst  iat = -1 , 300,
       igr1 = 333, 334, 335,
       r1 = 1.820, r2 = 3.820, r3 = 4.240, r4 = 6.240,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  75
 &rst  iat = -1 , 311,
       igr1 = 333, 334, 335,
       r1 = 1.430, r2 = 3.430, r3 = 3.660, r4 = 5.660,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  76
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.030, r2 = 3.030, r3 = 4.310, r4 = 6.310,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  77
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.190, r2 = 2.190, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  78
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.240, r2 = 3.240, r3 = 4.350, r4 = 6.350,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  79
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.620, r2 = 3.620, r3 = 4.420, r4 = 6.420,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  80
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.190, r2 = 3.190, r3 = 4.190, r4 = 6.190,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  81
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.670, r2 = 2.670, r3 = 2.990, r4 = 4.990,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  82
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.430, r2 = 3.430, r3 = 4.510, r4 = 6.510,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  83
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.490, r2 = 3.490, r3 = 4.330, r4 = 6.330,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  84
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.600, r2 = 3.600, r3 = 5.170, r4 = 7.170,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  85
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.120, r2 = 2.120, r3 = 2.250, r4 = 4.250,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  86
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.140, r2 = 2.140, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  87
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.220, r2 = 3.220, r3 = 4.420, r4 = 6.420,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  88
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.560, r2 = 2.560, r3 = 3.300, r4 = 5.300,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  89
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.060, r2 = 3.060, r3 = 3.500, r4 = 5.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  90
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.070, r2 = 4.070, r3 = 5.420, r4 = 7.420,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  91
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.510, r2 = 3.510, r3 = 5.380, r4 = 7.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  92
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.590, r2 = 2.590, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  93
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.440, r2 = 2.440, r3 = 2.790, r4 = 4.790,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  94
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.290, r2 = 3.290, r3 = 3.860, r4 = 5.860,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  95
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.100, r2 = 3.100, r3 = 5.160, r4 = 7.160,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  96
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.840, r2 = 2.840, r3 = 4.100, r4 = 6.100,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  97
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.680, r2 = 3.680, r3 = 5.040, r4 = 7.040,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  98
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.000, r2 = 1.970, r3 = 2.160, r4 = 4.160,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  99
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.660, r2 = 3.660, r3 = 5.150, r4 = 7.150,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 100
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.150, r2 = 2.150, r3 = 2.350, r4 = 4.350,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 101
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.880, r2 = 2.880, r3 = 4.680, r4 = 6.680,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 102
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.530, r2 = 2.530, r3 = 3.120, r4 = 5.120,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 103
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.410, r2 = 3.410, r3 = 4.080, r4 = 6.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 104
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.410, r2 = 3.410, r3 = 5.080, r4 = 7.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 105
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H5',atnam(2)='H3''',
       r1 = 1.900, r2 = 3.900, r3 = 5.030, r4 = 7.030,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 106
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 1.680, r2 = 3.680, r3 = 4.220, r4 = 6.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 107
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.580, r2 = 2.580, r3 = 3.220, r4 = 5.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 108
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 0.860, r2 = 2.860, r3 = 3.780, r4 = 5.780,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 109
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.840, r2 = 2.840, r3 = 3.190, r4 = 5.190,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 110
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.560, r2 = 3.560, r3 = 5.110, r4 = 7.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 111
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.120, r2 = 3.120, r3 = 4.220, r4 = 6.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 112
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 4.000, r3 = 5.450, r4 = 7.450,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 113
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.430, r2 = 2.430, r3 = 3.130, r4 = 5.130,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 114
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.110, r2 = 2.110, r3 = 2.270, r4 = 4.270,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 115
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.180, r2 = 2.180, r3 = 2.360, r4 = 4.360,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 116
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.730, r2 = 2.730, r3 = 3.890, r4 = 5.890,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 117
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.470, r2 = 2.470, r3 = 2.850, r4 = 4.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 118
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.990, r2 = 3.990, r3 = 5.920, r4 = 7.920,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 119
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.430, r2 = 3.430, r3 = 4.200, r4 = 6.200,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 120
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.170, r2 = 3.170, r3 = 4.370, r4 = 6.370,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 121
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.520, r2 = 2.520, r3 = 3.720, r4 = 5.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 122
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.180, r2 = 2.180, r3 = 2.340, r4 = 4.340,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 123
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.360, r2 = 2.360, r3 = 2.850, r4 = 4.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 124
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.090, r2 = 3.090, r3 = 3.790, r4 = 5.790,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 125
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.490, r2 = 2.490, r3 = 2.670, r4 = 4.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 126
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.230, r2 = 3.230, r3 = 3.670, r4 = 5.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 127
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.320, r2 = 3.320, r3 = 4.490, r4 = 6.490,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 128
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.670, r2 = 2.670, r3 = 3.100, r4 = 5.100,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 129
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.930, r2 = 2.930, r3 = 3.640, r4 = 5.640,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 130
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.880, r2 = 2.880, r3 = 3.550, r4 = 5.550,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 131
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 1.480, r2 = 3.480, r3 = 4.650, r4 = 6.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 132
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.490, r2 = 3.490, r3 = 4.410, r4 = 6.410,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 133
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.800, r2 = 2.800, r3 = 3.910, r4 = 5.910,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 134
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.300, r2 = 2.300, r3 = 2.530, r4 = 4.530,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 135
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.210, r2 = 3.210, r3 = 3.970, r4 = 5.970,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 136
 &rst  iat = -1 , 517,
       igr1 = 555, 556, 557,
       r1 = 2.470, r2 = 4.470, r3 = 5.950, r4 = 7.950,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 137
 &rst  iat = -1 , 520,
       igr1 = 555, 556, 557,
       r1 = 1.540, r2 = 3.540, r3 = 3.720, r4 = 5.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 138
 &rst  iat = -1 , 533,
       igr1 = 555, 556, 557,
       r1 = 2.170, r2 = 4.170, r3 = 5.000, r4 = 7.000,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 139
 &rst  iat = -1 , 535,
       igr1 = 555, 556, 557,
       r1 = 1.300, r2 = 3.300, r3 = 3.820, r4 = 5.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 140
 &rst  iat = -1 , 536,
       igr1 = 555, 556, 557,
       r1 = 1.690, r2 = 3.690, r3 = 5.220, r4 = 7.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 141
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.710, r2 = 3.710, r3 = 4.750, r4 = 6.750,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 142
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.110, r2 = 3.110, r3 = 3.830, r4 = 5.830,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 143
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.440, r2 = 3.440, r3 = 4.310, r4 = 6.310,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 144
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.750, r2 = 2.750, r3 = 3.010, r4 = 5.010,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 145
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.280, r2 = 3.280, r3 = 4.590, r4 = 6.590,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 146
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.230, r2 = 3.230, r3 = 4.370, r4 = 6.370,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 147
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.290, r2 = 3.290, r3 = 4.340, r4 = 6.340,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 148
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.320, r2 = 3.320, r3 = 4.670, r4 = 6.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 149
 &rst  iat =  10, -1 ,
       igr2 =  48,  49,  50,
       r1 = 2.550, r2 = 4.550, r3 = 5.460, r4 = 7.460,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 150
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.460, r2 = 2.460, r3 = 2.910, r4 = 4.910,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 151
 &rst  iat =  29, -1 ,
       igr2 =  48,  49,  50,
       r1 = 1.790, r2 = 3.790, r3 = 5.310, r4 = 7.310,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 152
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.790, r2 = 2.790, r3 = 3.060, r4 = 5.060,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 153
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.510, r2 = 3.510, r3 = 4.740, r4 = 6.740,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 154
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.870, r2 = 2.870, r3 = 3.070, r4 = 5.070,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 155
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.450, r2 = 3.450, r3 = 4.570, r4 = 6.570,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 156
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.230, r2 = 3.230, r3 = 4.380, r4 = 6.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 157
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.850, r2 = 2.850, r3 = 3.050, r4 = 5.050,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 158
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.710, r2 = 3.710, r3 = 4.970, r4 = 6.970,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 159
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.620, r2 = 2.620, r3 = 2.810, r4 = 4.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 160
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.130, r2 = 3.130, r3 = 3.460, r4 = 5.460,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 161
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.780, r2 = 3.780, r3 = 4.850, r4 = 6.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 162
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.260, r2 = 3.260, r3 = 4.160, r4 = 6.160,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 163
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.930, r2 = 2.930, r3 = 3.200, r4 = 5.200,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 164
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.980, r2 = 2.980, r3 = 3.200, r4 = 5.200,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 165
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.800, r2 = 3.800, r3 = 5.030, r4 = 7.030,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 166
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.590, r2 = 2.590, r3 = 2.820, r4 = 4.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 167
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.590, r2 = 3.590, r3 = 4.410, r4 = 6.410,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 168
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.450, r2 = 3.450, r3 = 4.220, r4 = 6.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 169
 &rst  iat = 219, -1 ,
       igr2 = 207, 208, 209,
       r1 = 2.200, r2 = 4.200, r3 = 5.080, r4 = 7.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 170
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.200, r2 = 3.200, r3 = 3.730, r4 = 5.730,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 171
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.650, r2 = 3.650, r3 = 4.750, r4 = 6.750,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 172
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.770, r2 = 2.770, r3 = 3.060, r4 = 5.060,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 173
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.560, r2 = 3.560, r3 = 4.440, r4 = 6.440,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 174
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.680, r2 = 3.680, r3 = 4.500, r4 = 6.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 175
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.710, r2 = 2.710, r3 = 2.940, r4 = 4.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 176
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.010, r2 = 3.010, r3 = 3.280, r4 = 5.280,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 177
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.930, r2 = 2.930, r3 = 3.110, r4 = 5.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 178
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.890, r2 = 2.890, r3 = 3.040, r4 = 5.040,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 179
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.610, r2 = 2.610, r3 = 2.850, r4 = 4.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 180
 &rst  iat = 302, -1 ,
       igr2 = 333, 334, 335,
       r1 = 2.080, r2 = 4.080, r3 = 4.500, r4 = 6.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 181
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.870, r2 = 2.870, r3 = 3.120, r4 = 5.120,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 182
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.730, r2 = 3.730, r3 = 4.940, r4 = 6.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 183
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.550, r2 = 2.550, r3 = 2.720, r4 = 4.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 184
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.260, r2 = 3.260, r3 = 4.330, r4 = 6.330,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 185
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.010, r2 = 3.010, r3 = 3.940, r4 = 5.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 186
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.540, r2 = 3.540, r3 = 4.370, r4 = 6.370,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 187
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.890, r2 = 2.890, r3 = 3.880, r4 = 5.880,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 188
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.130, r2 = 2.130, r3 = 2.320, r4 = 4.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 189
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.800, r2 = 3.800, r3 = 5.100, r4 = 7.100,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 190
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.340, r2 = 3.340, r3 = 4.320, r4 = 6.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 191
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.500, r2 = 3.500, r3 = 4.780, r4 = 6.780,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 192
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.110, r2 = 3.110, r3 = 4.430, r4 = 6.430,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 193
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.050, r2 = 3.050, r3 = 4.650, r4 = 6.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 194
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 0.900, r2 = 2.900, r3 = 4.020, r4 = 6.020,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 195
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.210, r2 = 2.210, r3 = 2.360, r4 = 4.360,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 196
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.420, r2 = 3.420, r3 = 4.630, r4 = 6.630,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 197
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.860, r2 = 2.860, r3 = 3.080, r4 = 5.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 198
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.830, r2 = 3.830, r3 = 5.690, r4 = 7.690,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 199
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.500, r2 = 2.500, r3 = 2.640, r4 = 4.640,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 200
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.380, r2 = 3.380, r3 = 5.140, r4 = 7.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 201
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.420, r2 = 3.420, r3 = 4.340, r4 = 6.340,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 202
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.840, r2 = 2.840, r3 = 3.020, r4 = 5.020,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 203
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.620, r2 = 3.620, r3 = 4.500, r4 = 6.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 204
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.600, r2 = 2.600, r3 = 2.830, r4 = 4.830,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 205
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.440, r2 = 3.440, r3 = 4.800, r4 = 6.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 206
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 3.130, r4 = 5.130,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 207
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.820, r2 = 3.820, r3 = 5.310, r4 = 7.310,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 208
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.600, r2 = 2.600, r3 = 2.740, r4 = 4.740,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 209
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.590, r2 = 3.590, r3 = 4.560, r4 = 6.560,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 210
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.480, r2 = 3.480, r3 = 4.280, r4 = 6.280,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 211
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.480, r2 = 3.480, r3 = 4.260, r4 = 6.260,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 212
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.720, r2 = 2.720, r3 = 2.970, r4 = 4.970,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 213
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 1.900, r2 = 3.900, r3 = 5.030, r4 = 7.030,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 214
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 1.660, r2 = 3.660, r3 = 5.350, r4 = 7.350,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 215
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.620, r2 = 2.620, r3 = 3.080, r4 = 5.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 216
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.790, r2 = 2.790, r3 = 3.300, r4 = 5.300,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 217
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.000, r2 = 1.780, r3 = 2.070, r4 = 4.070,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 218
 &rst  iat = 567, -1 ,
       igr2 = 555, 556, 557,
       r1 = 2.780, r2 = 4.780, r3 = 6.260, r4 = 8.260,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 219
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.490, r2 = 3.490, r3 = 4.840, r4 = 6.840,
       rk2 =30.000, rk3 =30.000, &end


#locked anti conformation for A1
#A1H8-H1' anti = 3.7A
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.500, r2 = 3.500, r3 = 3.900, r4 = 4.900,
       rk2 =30.000, rk3 =30.000, &end
#A1H1'-T2H6 anti = 3.5A
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.300, r2 = 3.300, r3 = 3.700, r4 = 4.700,
       rk2 =30.000, rk3 =30.000, &end


# Watson-Crick base pair restraints
#mge 2014, fully base paired, leave all on
# G-C base pairs: 16-3, 15-4, 5-14, 6-13, 9-10

 &rst  iat =  16,  3, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  16,  3, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  16,  3, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  15,  4, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  15,  4, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  15,  4, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  5,  14, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  5,  14, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  5,  14, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  6,  13, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  6,  13, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  6,  13, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  9,  10, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  9,  10, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  9,  10, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /


# A-T/U base pairs: 1-18, 17-2, 12-7, 8-11

 &rst  iat =  1,  18, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   
 &rst  iat =  1,  18, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  17,  2, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   
 &rst  iat =  17,  2, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  12,  7, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   
 &rst  iat =  12,  7, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  8,  11, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   
 &rst  iat =  8,  11, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   


# G-C Base pair angle restraints
# 16-3, 15-4, 5-14, 6-13, 9-10
 
 &rst  iat =  16, 3, 3, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  16,  16, 3, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  16,  16, 3, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  15, 4, 4, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  15,  15, 4, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  15,  15, 4, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  6, 13, 13, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  6,  6, 13, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  6,  6, 13, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  5, 14, 14, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  5,  5, 14, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  5,  5, 14, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  9, 10, 10, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  9,  9, 10, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  9,  9, 10, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /


#A-T Base Pair angle restraints
# 1-18, 17-2, 12-7, 8-11

 &rst  iat =  1,  18, 18, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  1,  1, 18, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  17,  2, 2, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  17,  17, 2, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  12,  7, 7, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  12,  12, 7, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  8,  11, 11, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  8,  8, 11, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /





#EPSILON RESTRAINTS
#restraints from makeANG_RST
#rG_CxG.ep
# 1 ADE EPSILN   181.0  201.0
# 2 THY EPSILN   167.0  207.0
# 4 CYT EPSILN   179.0  199.0
# 5 GUA EPSILN   143.0  203.0
# 6 GUA EPSILN   168.0  208.0
# 8 ADE EPSILN   177.0  197.0
#10 CYT EPSILN   165.0  225.0
#11 THY EPSILN   179.0  199.0
#12 ADE EPSILN   174.0  194.0
#13 CYT EPSILN   179.0  199.0
#14 CYT EPSILN   184.0  204.0
#15 GUA EPSILN   180.0  200.0
#16 GUA EPSILN   167.0  207.0
#17 ADE EPSILN   177.0  197.0


#******************************************************
#makeANG_RST v 2.0, jsmith@scripps.edu
#Read 61 torsion definitions from library file /home/cnj/Projects/tordef.lib
#Read 570 atoms from ../rG_CxG_min2.pdb for RST atom numbers:
#Be sure that the atom numbers are the same as in the prmtop file that you will use.
#Reading constraints from rG_CxG.ep
#******************************************************


#16 constraints (16 torsion + 0 pseudorotation) converted to RST format.
# 570 atoms read from pdb file ../rG_CxG_min2.pdb.
# 1 ADE EPSILN:  (1 DA5 C4')-(1 DA5 C3')-(1 DA5 O3')-(2 DT P) 181.0 201.0
 &rst     iat =     6,    25,    30,    31,
	  r1 = 180.0, r2 = 181.0, r3 = 201.0, r4 = 202.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 2 THY EPSILN:  (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DC P) 167.0 207.0
 &rst     iat =    38,    57,    62,    63,
	  r1 = 166.0, r2 = 167.0, r3 = 207.0, r4 = 208.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 4 CYT EPSILN:  (4 DC C4')-(4 DC C3')-(4 DC O3')-(5 RG P) 179.0 199.0
 &rst     iat =   100,   117,   122,   123,
	  r1 = 178.0, r2 = 179.0, r3 = 199.0, r4 = 200.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 5 GUA EPSILN:  (5 RG C4')-(5 RG C3')-(5 RG O3')-(6 DG P) 143.0 203.0
 &rst     iat =   130,   150,   156,   157,
	  r1 = 142.0, r2 = 143.0, r3 = 203.0, r4 = 204.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 6 GUA EPSILN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DT P) 168.0 208.0
 &rst     iat =   164,   184,   189,   190,
	  r1 = 167.0, r2 = 168.0, r3 = 208.0, r4 = 209.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 8 ADE EPSILN:  (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DG3 P) 177.0 197.0
 &rst     iat =   229,   248,   253,   254,
	  r1 = 176.0, r2 = 177.0, r3 = 197.0, r4 = 198.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 10 CYT EPSILN:  (10 DC5 C4')-(10 DC5 C3')-(10 DC5 O3')-(11 DT P) 165.0 225.0
 &rst     iat =   293,   310,   315,   316,
	  r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 11 THY EPSILN:  (11 DT C4')-(11 DT C3')-(11 DT O3')-(12 DA P) 179.0 199.0
 &rst     iat =   323,   342,   347,   348,
	  r1 = 178.0, r2 = 179.0, r3 = 199.0, r4 = 200.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 12 ADE EPSILN:  (12 DA C4')-(12 DA C3')-(12 DA O3')-(13 DC P) 174.0 194.0
 &rst     iat =   355,   374,   379,   380,
	  r1 = 173.0, r2 = 174.0, r3 = 194.0, r4 = 195.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 13 CYT EPSILN:  (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DC P) 179.0 199.0
 &rst     iat =   387,   404,   409,   410,
	  r1 = 178.0, r2 = 179.0, r3 = 199.0, r4 = 200.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 14 CYT EPSILN:  (14 DC C4')-(14 DC C3')-(14 DC O3')-(15 DG P) 184.0 204.0
 &rst     iat =   417,   434,   439,   440,
	  r1 = 183.0, r2 = 184.0, r3 = 204.0, r4 = 205.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 15 GUA EPSILN:  (15 DG C4')-(15 DG C3')-(15 DG O3')-(16 DG P) 180.0 200.0
 &rst     iat =   447,   467,   472,   473,
	  r1 = 179.0, r2 = 180.0, r3 = 200.0, r4 = 201.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 16 GUA EPSILN:  (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DA P) 167.0 207.0
 &rst     iat =   480,   500,   505,   506,
	  r1 = 166.0, r2 = 167.0, r3 = 207.0, r4 = 208.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 17 ADE EPSILN:  (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DT3 P) 177.0 197.0
 &rst     iat =   513,   532,   537,   538,
	  r1 = 176.0, r2 = 177.0, r3 = 197.0, r4 = 198.0,
	  rk2 =   50.0, rk3 =   50.0,				&end



# BACKBONE TORSION ANGLE RESTRAINTS
# EPSILON RESTRAINTS REMOVED, SEE ABOVE
# torsion angle constraint number   t gamma
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  1,  1,  2,  2, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  1,  2,  2,  2, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=================================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  2,  2,  3,  3, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  2,  3,  3,  3, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#==============================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  3,  3,  4,  4, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  3,  4,  4,  4, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number   2 zeta
# &rst  iat =  4,  4,  5,  5, iresid = 1, 
#       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
#       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
#       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
# &rst  iat =  4,  5,  5,  5, iresid = 1, 
#       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
#       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
#       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
# &rst  iat =  5,  5,  5,  5, iresid = 1, 
#       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
#       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
#       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
# &rst  iat =  5,  5,  5,  5, iresid = 1, 
#       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
#       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
#       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================

# torsion angle constraint number   2 zeta
# &rst  iat =  5,  5,  6,  6, iresid = 1, 
#       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
#       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
#       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
# &rst  iat =  5,  6,  6,  6, iresid = 1, 
#       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
#       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
#       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================

# torsion angle constraint number   2 zeta
 &rst  iat =  6,  6,  7,  7, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  6,  7,  7,  7, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  7,  7,  8,  8, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  7,  8,  8,  8, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  8,  8,  9,  9, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  8,  9,  9,  9, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /

#2nd Strand ============================================================

# torsion angle constraint number   t gamma
 &rst  iat =  10,  10,  10,  10, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#====================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  10,  10,  11,  11, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  10,  11,  11,  11, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number   5 gamma
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  11,  11,  12,  12, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  11, 12,  12,  12, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  12,  12,  12,  12, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 12, 12,  12,  12, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=============================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  12,  12,  13,  13, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  12,  13,  13,  13, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 13,  13,  13,  13, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  13,  13,  13,  13, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /

#==================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  13,  13,  14,  14, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  13,  14,  14,  14, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  14,  14,  15,  15, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  14,  15,  15,  15, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  15, 15, 16, 16, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 15, 16, 16, 16, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  16, 16, 17, 17, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 16, 17, 17, 17, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  17, 17, 18, 18, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 17, 18, 18, 18, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 18, 18, 18, 18, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 18, 18, 18, 18, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /


# Restraints file 2: rGCxGrdc1-MDtar5ns.rst
                                                                                
 8149  0.5000000E+04
  25.4874215  26.8238939  11.6823048  26.0723580  26.7168535  12.4359569
  26.8614026  25.5370212  12.3769831  27.6480801  25.6439837  11.6301247
  26.2998576  24.6361187  12.1296821  27.7784882  25.3684279  13.5944388
  28.2849887  24.4364224  13.3435946  28.7375763  26.4781033  13.7561830
  28.4020897  27.2586253  14.9138165  29.1162444  27.1302571  15.7272136
  28.3283721  28.6277398  14.4382368  27.5137403  29.1417334  13.4616506
  26.5526801  28.7423351  13.1731177  27.8164705  30.3515773  12.9794530
  28.9884426  30.5701784  13.7440188  29.9342594  31.6804695  13.8324638
  29.8909915  32.7223502  13.0261035  30.6127950  33.3980529  13.2323206
  29.1454893  32.8249561  12.3524527  30.8968971  31.6741628  14.7009973
  31.0417461  30.6264080  15.5146246  31.8180617  30.6471460  16.2651604
  30.2755719  29.5265034  15.5766424  29.2569923  29.5955158  14.6848477
  27.0472183  25.1994902  14.9309491  26.0280268  24.8414966  14.7853704
  27.0919281  26.6923353  15.4193132  26.1928584  27.2601174  15.1797360
  27.0927407  26.6318684  16.5076361  27.6673891  24.2780943  15.8030033
  27.1023956  23.7772508  17.2055044  27.8041571  22.5282099  17.5547019
  25.6691020  23.9062609  17.1893393  27.6485004  24.8345259  18.1565671
  29.0507747  24.8691232  18.4428241  29.6192463  24.8974091  17.5132149
  29.2577119  23.9167188  18.9308848  29.5819378  26.0049938  19.2835440
  30.6325416  25.8674798  19.5393206  29.4497181  27.1857764  18.4234622
  29.2810018  28.3306300  19.3280548  30.2788001  28.4033891  19.7607381
  28.8176786  29.5032021  18.5777928  27.5838180  29.5300311  17.8721329
  27.0704288  28.5799836  17.8565866  27.1739085  30.5791324  17.1420137
  25.9322152  30.5490340  16.2533171  25.2074053  29.7812488  16.5239351
  25.3677009  31.4799985  16.3055543  26.2487451  30.3696912  15.2258221
  28.0535560  31.7205467  17.1266290  27.7939033  32.7205461  16.4601584
  29.2424271  31.6414638  17.7288578  29.7991042  32.4841859  17.7348436
  29.6985059  30.5405562  18.5032100  30.8592700  30.5055316  18.8439149
  28.7378548  26.3562808  20.5262258  27.8556282  25.7166746  20.5523797
  28.2350005  27.7843787  20.2997323  27.2927721  27.6366549  19.7720171
  28.0170180  28.4710686  21.1176846  29.6351888  26.1680678  21.6826037
  29.2601009  26.4128938  23.2120954  30.0136408  25.4226410  23.9947504
  27.7558542  26.3978823  23.2420213  29.6867182  27.8700447  23.4794190
  31.0470291  28.3106710  23.5849116  31.6011273  28.1827510  22.6549979
  31.4107626  27.6149647  24.3410801  31.2890535  29.7470737  24.1893195
  32.3525670  29.7745676  24.4265007  30.9847103  30.8194011  23.2052479
  29.8772101  31.5734514  23.6767176  30.2664469  32.4842094  24.1318240
  28.8412774  31.8919039  22.6987633  27.7668349  31.1120261  22.4208152
  27.6093961  30.1783298  22.9402680  26.9228341  31.3761651  21.4081962
  26.0316508  30.8139584  21.1713079  27.2688851  32.4992675  20.6510274
  26.5835041  32.7710585  19.5835457  26.6616734  33.7140065  19.2302205
  25.8580152  32.1378742  19.2788355  28.3274355  33.2358862  20.8671793
  29.1123496  32.9657887  21.8994788  30.1317519  33.6682202  21.9695204
  30.4746518  30.0327558  25.4549596  30.2306012  29.0775675  25.9198896
  29.3167426  30.8105095  24.9294230  28.5533292  30.0820280  24.6562657
  28.9525674  31.4952947  25.6952935  31.2008340  30.9297266  26.2914056
  30.8163783  31.2658302  27.7776433  32.0728060  31.2739492  28.5663731
  29.7086812  30.4076663  28.2508879  30.3484474  32.7820154  27.5958667
  31.2425625  33.8651411  27.3935034  32.1308537  33.7238280  26.7778097
  31.6672503  34.1406848  28.3588095  30.5165218  35.0678585  26.8452154
  31.2590268  35.8656739  26.8619647  30.1097397  34.7550317  25.5200107
  29.2288300  35.7852055  25.1630242  29.7221284  36.4987324  24.5029954
  27.9519652  35.3370460  24.4379533  27.5481292  34.0613102  24.5966778
  28.0390337  33.4363776  25.3280370  26.5407242  33.6056021  23.8117589
  26.2240104  32.5895340  23.9953462  25.9985563  34.4158326  22.8270439
  24.8851195  34.0696064  22.1710043  24.4470860  34.6928206  21.5078068
  24.3182649  33.2711382  22.4184491  26.3929566  35.6426652  22.5844001
  27.3077177  36.1440614  23.4509588  27.5365043  37.3022783  23.2781874
  29.2593906  35.6632253  27.4811772  28.5994556  34.8826337  27.8596779
  28.6803761  36.5452616  26.3741951  27.5908554  36.5778749  26.3775515
  29.0084877  37.5832041  26.4300384  29.7021726  36.5551727  28.4212719
  28.7872792  37.0755310  29.6515168  29.6795675  37.9106848  30.5465149
  28.1327413  35.9080689  30.2018354  27.7256637  38.0664536  28.9973684
  28.0394526  39.4061065  28.4821897  28.8646587  39.3729831  27.7707950
  28.3219477  40.1390735  29.2378726  26.7928463  40.0236266  27.8441594
  27.0170132  41.0728365  27.6517571  26.3906507  39.2201173  26.6935065
  25.0404478  39.0107178  26.8035207  24.5580648  39.8998246  26.3974471
  24.5780576  37.9065607  25.9343837  24.8464492  36.5772879  25.9552062
  25.4355242  36.0935297  26.7203002  24.1814573  35.9745158  25.0276708
  23.5732149  36.8971194  24.3084252  22.7108280  36.7962568  23.1606581
  22.3763977  35.7986273  22.4888521  22.3506094  38.0239323  22.6988137
  21.8962766  38.0642188  21.7976698  22.6781286  39.2658225  23.2664283
  22.2015379  40.3219400  22.6692111  21.5501549  40.4080836  21.9021397
  22.4549923  41.2311991  23.0285280  23.2900641  39.2948903  24.4464278
  23.7468528  38.1044850  24.9001855  25.4951797  40.1705123  28.7015947
  25.6805193  40.0637774  29.7704058  24.7233420  38.8746867  28.2844712
  25.4168896  38.1650241  28.7355486  23.4159600  38.7537660  28.6389486
  22.8094175  39.4102133  28.2885442  24.8170410  41.4185828  28.4930212
  25.1815393  42.5363274  29.5519003  26.5775013  42.8273083  29.3487241
  24.7599757  42.0282184  30.9018685  24.3266962  43.8324962  29.2236535
  24.6783952  44.8161039  28.2885516  25.1623192  44.2162145  27.5178050
  25.3572731  45.5865136  28.6542130  23.3239579  45.4141137  27.7728868
  23.6536047  46.2698028  27.1836250  22.7710224  44.4599718  26.8958090
  21.5381026  43.9283558  27.3732289  20.7977004  44.3980399  26.7256898
  21.4064533  42.4642095  27.4073122  21.8136811  41.5626680  28.3627587
  22.4764218  41.7904850  29.1845249  21.2748712  40.3491409  28.2427103
  20.6959612  40.4578686  27.0109476  20.1518093  39.4018341  26.1497015
  20.1550453  38.1946458  26.2107880  19.4352925  39.8991402  25.1125159
  19.0324418  39.1669362  24.5453382  19.4547750  41.1927223  24.7706701
  18.9649228  41.4124741  23.5871415  18.2725845  40.7659346  23.2367785
  18.7719372  42.3926495  23.4384354  20.0613660  42.1649047  25.4256999
  20.6702497  41.6756948  26.5691936  22.2984167  45.7831713  28.8063767
  22.7357750  45.8508279  29.8024904  21.2611354  44.6000021  28.7710039
  21.5468147  43.9208247  29.5742531  20.2306441  44.9014027  28.9588921
  21.6698643  46.9598618  28.3369677  20.5821770  47.7480581  29.1466517
  20.8916097  49.1539563  28.6875701  20.6136070  47.4498208  30.5910647
  19.2828100  47.2276435  28.4870566  18.7973383  47.9038174  27.2562693
  19.7222305  48.1226426  26.7226470  18.2833019  48.8481229  27.4355855
  17.9753171  47.0818032  26.3313771  17.8163670  47.6561881  25.4187341
  18.6323350  45.8207450  26.0595969  17.6237040  44.8661907  25.6955041
  17.8161424  44.4055782  24.7265314  17.5005145  43.7412606  26.6837440
  17.8679477  43.8295076  28.0200886  18.1859889  44.7862300  28.4072992
  17.8247018  42.7569686  28.8354398  18.1677558  42.8996254  30.2849688
  18.2137006  43.9394072  30.6087599  17.4639519  42.3202824  30.8825654
  19.1536253  42.4664601  30.4538691  17.3407958  41.4979602  28.2988146
  17.3913696  40.4235562  28.9184366  16.8219675  41.5203707  27.0176538
  16.3503103  40.7404567  26.5824805  16.8788568  42.6274402  26.1688863
  16.4407887  42.5988708  25.0443723  16.5561843  46.7748851  26.7922095
  16.6061069  46.4440406  27.8295964  16.3725470  45.6529269  25.7547524
  15.4950120  45.1232537  26.1256120  16.1480219  46.1110900  24.7915411
  15.6350173  47.7946691  26.4891073  14.7682190  48.4112622  27.6261241
  13.9122514  49.4656763  27.0065097  15.6963222  48.7729995  28.7001083
  13.8279247  47.1921210  28.1118134  12.9807987  46.4997801  27.2435087
  13.6836906  45.8753410  26.6920391  12.4829447  47.1718637  26.5445437
  11.8716021  45.7101334  27.9490958  11.2237705  45.3164000  27.1659012
  12.3528735  44.6561632  28.6777162  11.3330571  44.4121049  29.6330741
  10.4567034  43.8953753  29.2417891  11.9116895  43.5215638  30.7351209
  11.9283570  43.5826804  32.1011960  11.3629725  44.3564271  32.5992494
  12.7681891  42.7846724  32.6817241  13.2438002  41.9482380  31.6211917
  14.1722831  40.8661590  31.4833953  14.8913399  40.3592405  32.5164233
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   1.4122276  -0.3921908  -0.3823281  -0.3565830  -0.5528688   0.5597267
   0.0897306  -0.1539086  -0.5595936  -0.0868958  -0.3818588  -0.3904480
  -0.0108621  -1.3108889   0.3204278  -0.3181972  -0.0819221   0.0644639
  -0.0669207  -0.0988669   0.0336869   0.7256559   0.3163837  -0.3982656
  -0.0847711   0.2835150   0.0131930  -1.1626787   0.1865024  -0.1368625
  -0.4594184   0.1710426  -0.3412503  -0.3293866  -0.1631619   0.0436897
   0.2063973   0.7529870  -0.4893967  -0.2505752   0.9806130   0.4984265
  -0.0018260   0.0058791  -0.1544785   0.2217095   0.3642761  -0.2954113
   0.1247433  -0.8427121  -0.1633471
  47.2999554  47.2999554  47.2999554 109.4712190 109.4712190 109.4712190
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H5'   DA   1           H5'       DA   1  38.333  14.665  19.593
    2   H5''   DA   1          H5''       DA   1  37.546  13.211  19.890
    3    H4'   DA   1           H4'       DA   1  37.868  14.190  21.944
    4    H3'   DA   1           H3'       DA   1  35.330  13.508  21.321
    5    H2'   DA   1           H2'       DA   1  34.550  15.515  20.550
    6   H2''   DA   1          H2''       DA   1  34.169  15.758  22.224
    7    H1'   DA   1           H1'       DA   1  35.920  17.121  22.586
    8    H8    DA   1           H8        DA   1  35.010  16.895  18.880
    9    H61   DA   1           H61       DA   1  35.972  23.037  19.037
   10    H62   DA   1           H62       DA   1  35.627  21.754  17.917
   11    H2    DA   1           H2        DA   1  37.157  21.501  22.773
   12    H5T   DA   1           H5T       DA   1  35.922  13.913  18.681
   13    H5'   DT   2           H5'       DT   2  36.308  15.772  24.965
   14   H5''   DT   2          H5''       DT   2  35.648  15.206  26.412
   15    H4'   DT   2           H4'       DT   2  35.958  17.541  26.529
   16    H3'   DT   2           H3'       DT   2  33.355  16.481  26.893
   17    H2'   DT   2           H2'       DT   2  32.390  17.718  25.312
   18   H2''   DT   2          H2''       DT   2  32.521  18.996  26.515
   19    H1'   DT   2           H1'       DT   2  34.510  19.754  25.628
   20    H3    DT   2           H3        DT   2  33.442  22.244  22.032
   21    H71   DT   2           H71       DT   2  30.589  18.829  20.707
   22    H72   DT   2           H72       DT   2  31.953  18.095  19.999
   23    H73   DT   2           H73       DT   2  31.153  17.401  21.407
   24    H6    DT   2           H6        DT   2  32.658  17.660  23.265
   25    H5'   DC   3           H5'       DC   3  34.477  20.543  28.748
   26   H5''   DC   3          H5''       DC   3  33.721  20.816  30.212
   27    H4'   DC   3           H4'       DC   3  33.959  22.760  28.883
   28    H3'   DC   3           H3'       DC   3  31.522  22.189  30.273
   29    H2'   DC   3           H2'       DC   3  30.333  21.632  28.273
   30   H2''   DC   3          H2''       DC   3  30.081  23.368  28.354
   31    H1'   DC   3           H1'       DC   3  31.901  23.834  26.916
   32    H41   DC   3           H41       DC   3  29.335  21.920  21.550
   33    H42   DC   3           H42       DC   3  28.965  20.360  22.176
   34    H5    DC   3           H5        DC   3  29.554  19.694  24.387
   35    H6    DC   3           H6        DC   3  30.666  20.379  26.445
   36    H5'   DC   4           H5'       DC   4  31.732  26.742  28.405
   37   H5''   DC   4          H5''       DC   4  31.309  27.655  29.816
   38    H4'   DC   4           H4'       DC   4  30.490  28.826  28.000
   39    H3'   DC   4           H3'       DC   4  28.727  27.854  29.889
   40    H2'   DC   4           H2'       DC   4  27.659  26.377  28.515
   41   H2''   DC   4          H2''       DC   4  26.714  27.817  28.069
   42    H1'   DC   4           H1'       DC   4  28.061  28.201  26.253
   43    H41   DC   4           H41       DC   4  26.577  23.403  22.540
   44    H42   DC   4           H42       DC   4  27.132  22.194  23.670
   45    H5    DC   4           H5        DC   4  27.959  22.767  25.868
   46    H6    DC   4           H6        DC   4  28.459  24.620  27.364
   47    H5'    G   5           H5'        G   5  26.587  30.738  27.062
   48   H5''    G   5          H5''        G   5  25.488  31.797  27.930
   49    H4'    G   5           H4'        G   5  24.357  30.945  26.079
   50    H3'    G   5           H3'        G   5  23.287  30.353  28.632
   51    H2'    G   5           H2'        G   5  23.691  28.166  28.270
   52   HO2'    G   5          2HO'        G   5  21.261  28.441  27.197
   53    H1'    G   5           H1'        G   5  23.061  28.640  25.330
   54    H8     G   5           H8         G   5  24.627  26.054  27.664
   55    H1     G   5           H1         G   5  22.906  24.063  21.868
   56    H21    G   5           H21        G   5  22.249  25.904  20.640
   57    H22    G   5           H22        G   5  22.275  27.497  21.416
   58    H5'   DG   6           H5'       DG   6  21.237  33.348  25.432
   59   H5''   DG   6          H5''       DG   6  19.742  33.933  25.937
   60    H4'   DG   6           H4'       DG   6  19.575  33.392  23.580
   61    H3'   DG   6           H3'       DG   6  18.133  31.499  25.428
   62    H2'   DG   6           H2'       DG   6  17.598  30.135  23.643
   63   H2''   DG   6          H2''       DG   6  17.839  31.412  22.483
   64    H1'   DG   6           H1'       DG   6  19.890  30.347  22.182
   65    H8    DG   6           H8        DG   6  20.234  29.847  25.914
   66    H1    DG   6           H1        DG   6  19.285  24.520  22.450
   67    H21   DG   6           H21       DG   6  18.493  25.086  20.510
   68    H22   DG   6           H22       DG   6  18.318  26.769  20.042
   69    H5'   DT   7           H5'       DT   7  15.757  31.877  22.033
   70   H5''   DT   7          H5''       DT   7  14.034  32.052  22.263
   71    H4'   DT   7           H4'       DT   7  14.576  30.178  20.835
   72    H3'   DT   7           H3'       DT   7  13.112  29.649  23.379
   73    H2'   DT   7           H2'       DT   7  13.361  27.536  22.954
   74   H2''   DT   7          H2''       DT   7  13.432  27.781  21.441
   75    H1'   DT   7           H1'       DT   7  15.613  27.333  21.559
   76    H3    DT   7           H3        DT   7  16.586  24.375  24.711
   77    H71   DT   7           H71       DT   7  17.358  28.255  27.531
   78    H72   DT   7           H72       DT   7  16.279  29.356  26.808
   79    H73   DT   7           H73       DT   7  15.678  28.102  27.845
   80    H6    DT   7           H6        DT   7  15.525  29.060  24.732
   81    H5'   DA   8           H5'       DA   8  11.532  27.264  20.307
   82   H5''   DA   8          H5''       DA   8   9.841  27.128  20.286
   83    H4'   DA   8           H4'       DA   8  10.986  24.961  20.236
   84    H3'   DA   8           H3'       DA   8   8.625  25.482  21.609
   85    H2'   DA   8           H2'       DA   8   9.692  25.531  23.705
   86   H2''   DA   8          H2''       DA   8   9.276  23.794  23.572
   87    H1'   DA   8           H1'       DA   8  11.397  23.270  22.703
   88    H8    DA   8           H8        DA   8  11.206  26.238  25.064
   89    H61   DA   8           H61       DA   8  15.257  22.899  28.391
   90    H62   DA   8           H62       DA   8  14.417  24.436  28.435
   91    H2    DA   8           H2        DA   8  14.110  20.648  25.007
   92    H5'   DG   9           H5'       DG   9  10.094  21.258  21.851
   93   H5''   DG   9          H5''       DG   9   8.877  20.123  21.360
   94    H4'   DG   9           H4'       DG   9   9.994  19.133  23.162
   95    H3'   DG   9           H3'       DG   9   7.262  19.695  23.502
   96   HO3'   DG   9           H3T       DG   9   8.796  17.763  24.129
   97    H2'   DG   9           H2'       DG   9   7.822  21.193  25.511
   98   H2''   DG   9          H2''       DG   9   7.608  19.638  26.163
   99    H1'   DG   9           H1'       DG   9  10.120  19.285  25.749
  100    H8    DG   9           H8        DG   9   9.162  22.974  26.206
  101    H1    DG   9           H1        DG   9  13.249  20.660  30.550
  102    H21   DG   9           H21       DG   9  13.714  18.558  30.092
  103    H22   DG   9           H22       DG   9  13.059  17.807  28.654
  104    H5'   DC  10           H5'       DC  10  18.759  17.986  36.929
  105   H5''   DC  10          H5''       DC  10  20.131  17.359  35.991
  106    H4'   DC  10           H4'       DC  10  18.080  16.324  35.423
  107    H3'   DC  10           H3'       DC  10  19.948  17.385  33.592
  108    H2'   DC  10           H2'       DC  10  18.454  18.795  32.566
  109   H2''   DC  10          H2''       DC  10  17.867  17.404  31.927
  110    H1'   DC  10           H1'       DC  10  16.094  17.331  33.279
  111    H41   DC  10           H41       DC  10  13.756  22.771  31.402
  112    H42   DC  10           H42       DC  10  14.908  23.680  32.388
  113    H5    DC  10           H5        DC  10  16.439  22.615  33.845
  114    H6    DC  10           H6        DC  10  17.449  20.489  34.430
  115    H5T   DC  10           H5T       DC  10  19.096  19.831  36.057
  116    H5'   DT  11           H5'       DT  11  16.973  14.563  31.415
  117   H5''   DT  11          H5''       DT  11  17.938  13.389  30.620
  118    H4'   DT  11           H4'       DT  11  16.243  13.900  29.246
  119    H3'   DT  11           H3'       DT  11  18.906  14.051  28.480
  120    H2'   DT  11           H2'       DT  11  18.961  16.213  28.227
  121   H2''   DT  11          H2''       DT  11  18.376  15.851  26.626
  122    H1'   DT  11           H1'       DT  11  16.201  16.354  27.294
  123    H3    DT  11           H3        DT  11  15.547  20.752  27.397
  124    H71   DT  11           H71       DT  11  18.776  20.776  31.035
  125    H72   DT  11           H72       DT  11  19.924  19.568  30.367
  126    H73   DT  11           H73       DT  11  19.635  21.128  29.662
  127    H6    DT  11           H6        DT  11  18.687  17.803  29.529
  128    H5'   DA  12           H5'       DA  12  16.340  14.245  24.593
  129   H5''   DA  12          H5''       DA  12  17.126  13.418  23.288
  130    H4'   DA  12           H4'       DA  12  16.457  15.501  22.533
  131    H3'   DA  12           H3'       DA  12  19.289  14.977  22.492
  132    H2'   DA  12           H2'       DA  12  19.774  17.015  23.248
  133   H2''   DA  12          H2''       DA  12  19.156  17.549  21.780
  134    H1'   DA  12           H1'       DA  12  17.155  18.093  22.629
  135    H8    DA  12           H8        DA  12  19.792  17.863  25.369
  136    H61   DA  12           H61       DA  12  18.029  23.708  26.468
  137    H62   DA  12           H62       DA  12  19.048  22.406  27.091
  138    H2    DA  12           H2        DA  12  15.849  22.317  23.070
  139    H5'   DC  13           H5'       DC  13  16.756  17.018  19.487
  140   H5''   DC  13          H5''       DC  13  17.175  16.560  17.925
  141    H4'   DC  13           H4'       DC  13  16.091  18.646  17.827
  142    H3'   DC  13           H3'       DC  13  18.655  18.286  16.718
  143    H2'   DC  13           H2'       DC  13  19.646  19.600  18.257
  144   H2''   DC  13          H2''       DC  13  19.187  20.802  17.154
  145    H1'   DC  13           H1'       DC  13  17.446  21.415  18.407
  146    H41   DC  13           H41       DC  13  20.243  23.161  23.752
  147    H42   DC  13           H42       DC  13  21.275  21.731  23.750
  148    H5    DC  13           H5        DC  13  20.862  19.875  22.278
  149    H6    DC  13           H6        DC  13  19.700  19.205  20.297
  150    H5'   DC  14           H5'       DC  14  17.641  22.486  15.799
  151   H5''   DC  14          H5''       DC  14  17.909  23.000  14.209
  152    H4'   DC  14           H4'       DC  14  19.091  24.489  15.563
  153    H3'   DC  14           H3'       DC  14  20.571  23.037  13.660
  154    H2'   DC  14           H2'       DC  14  21.521  21.718  15.441
  155   H2''   DC  14          H2''       DC  14  22.754  22.979  15.292
  156    H1'   DC  14           H1'       DC  14  21.531  24.445  16.819
  157    H41   DC  14           H41       DC  14  23.664  21.727  22.067
  158    H42   DC  14           H42       DC  14  23.539  20.164  21.385
  159    H5    DC  14           H5        DC  14  22.783  19.802  19.172
  160    H6    DC  14           H6        DC  14  21.823  20.884  17.199
  161    H5'   DG  15           H5'       DG  15  21.553  27.434  14.748
  162   H5''   DG  15          H5''       DG  15  22.191  28.088  13.302
  163    H4'   DG  15           H4'       DG  15  22.671  29.573  14.911
  164    H3'   DG  15           H3'       DG  15  24.760  28.691  13.468
  165    H2'   DG  15           H2'       DG  15  25.632  27.010  15.002
  166   H2''   DG  15          H2''       DG  15  26.461  28.466  15.617
  167    H1'   DG  15           H1'       DG  15  25.058  28.843  17.216
  168    H8    DG  15           H8        DG  15  24.597  25.234  16.004
  169    H1    DG  15           H1        DG  15  26.369  25.766  22.140
  170    H21   DG  15           H21       DG  15  26.528  27.856  22.592
  171    H22   DG  15           H22       DG  15  25.948  29.073  21.430
  172    H5'   DG  16           H5'       DG  16  26.025  31.237  16.797
  173   H5''   DG  16          H5''       DG  16  27.141  32.452  16.504
  174    H4'   DG  16           H4'       DG  16  27.533  31.311  18.628
  175    H3'   DG  16           H3'       DG  16  29.674  30.956  16.651
  176    H2'   DG  16           H2'       DG  16  30.406  29.102  17.750
  177   H2''   DG  16          H2''       DG  16  30.309  29.893  19.251
  178    H1'   DG  16           H1'       DG  16  28.404  29.258  19.816
  179    H8    DG  16           H8        DG  16  28.295  27.090  16.758
  180    H1    DG  16           H1        DG  16  29.959  24.207  22.292
  181    H21   DG  16           H21       DG  16  30.355  25.746  23.743
  182    H22   DG  16           H22       DG  16  30.085  27.436  23.410
  183    H5'   DA  17           H5'       DA  17  30.532  32.145  21.031
  184   H5''   DA  17          H5''       DA  17  31.944  33.182  21.103
  185    H4'   DA  17           H4'       DA  17  31.686  31.690  22.987
  186    H3'   DA  17           H3'       DA  17  34.073  32.057  21.621
  187    H2'   DA  17           H2'       DA  17  34.310  29.976  20.804
  188   H2''   DA  17          H2''       DA  17  34.914  29.578  22.389
  189    H1'   DA  17           H1'       DA  17  32.855  28.683  23.059
  190    H8    DA  17           H8        DA  17  32.615  29.036  19.351
  191    H61   DA  17           H61       DA  17  32.819  22.737  19.657
  192    H62   DA  17           H62       DA  17  32.720  24.015  18.484
  193    H2    DA  17           H2        DA  17  33.637  24.310  23.493
  194    H5'   DT  18           H5'       DT  18  34.354  29.729  25.276
  195   H5''   DT  18          H5''       DT  18  35.553  30.254  26.523
  196    H4'   DT  18           H4'       DT  18  35.430  27.879  26.331
  197    H3'   DT  18           H3'       DT  18  37.925  29.207  25.983
  198   HO3'   DT  18           H3T       DT  18  38.580  27.281  27.024
  199    H2'   DT  18           H2'       DT  18  38.116  28.314  23.774
  200   H2''   DT  18          H2''       DT  18  38.686  26.936  24.700
  201    H1'   DT  18           H1'       DT  18  36.527  25.968  24.847
  202    H3    DT  18           H3        DT  18  36.594  23.676  21.021
  203    H71   DT  18           H71       DT  18  36.458  28.965  19.748
  204    H72   DT  18           H72       DT  18  37.382  27.855  18.820
  205    H73   DT  18           H73       DT  18  35.659  27.744  18.831
  206    H6    DT  18           H6        DT  18  36.560  28.336  22.127
  Start of MODEL    2
    1    H5'   DA   1           H5'       DA   1  35.839  15.140  13.239
    2   H5''   DA   1          H5''       DA   1  34.626  13.895  13.323
    3    H4'   DA   1           H4'       DA   1  35.917  13.949  15.347
    4    H3'   DA   1           H3'       DA   1  33.152  14.138  15.449
    5    H2'   DA   1           H2'       DA   1  32.946  16.214  16.159
    6   H2''   DA   1          H2''       DA   1  33.461  15.644  17.771
    7    H1'   DA   1           H1'       DA   1  35.502  16.510  17.601
    8    H8    DA   1           H8        DA   1  33.413  18.028  14.754
    9    H61   DA   1           H61       DA   1  35.646  23.332  16.987
   10    H62   DA   1           H62       DA   1  34.475  22.740  15.865
   11    H2    DA   1           H2        DA   1  37.398  20.279  19.215
   12    H5T   DA   1           H5T       DA   1  33.254  15.264  13.059
   13    H5'   DT   2           H5'       DT   2  35.507  14.167  19.157
   14   H5''   DT   2          H5''       DT   2  34.992  13.060  20.439
   15    H4'   DT   2           H4'       DT   2  35.674  15.188  21.338
   16    H3'   DT   2           H3'       DT   2  33.045  14.145  21.813
   17    H2'   DT   2           H2'       DT   2  32.025  16.055  20.835
   18   H2''   DT   2          H2''       DT   2  32.352  16.778  22.389
   19    H1'   DT   2           H1'       DT   2  34.468  17.655  21.658
   20    H3    DT   2           H3        DT   2  33.312  21.540  19.814
   21    H71   DT   2           H71       DT   2  29.925  19.262  17.383
   22    H72   DT   2           H72       DT   2  31.132  18.863  16.293
   23    H73   DT   2           H73       DT   2  30.439  17.676  17.373
   24    H6    DT   2           H6        DT   2  32.060  16.971  18.958
   25    H5'   DC   3           H5'       DC   3  35.406  17.086  24.554
   26   H5''   DC   3          H5''       DC   3  35.081  16.675  26.190
   27    H4'   DC   3           H4'       DC   3  35.594  19.062  25.886
   28    H3'   DC   3           H3'       DC   3  33.562  18.088  27.420
   29    H2'   DC   3           H2'       DC   3  31.851  18.669  25.986
   30   H2''   DC   3          H2''       DC   3  31.902  20.207  26.834
   31    H1'   DC   3           H1'       DC   3  33.422  21.194  25.283
   32    H41   DC   3           H41       DC   3  29.712  22.086  20.460
   33    H42   DC   3           H42       DC   3  29.305  20.395  20.222
   34    H5    DC   3           H5        DC   3  30.336  18.694  21.655
   35    H6    DC   3           H6        DC   3  31.822  18.383  23.552
   36    H5'   DC   4           H5'       DC   4  33.395  22.836  28.204
   37   H5''   DC   4          H5''       DC   4  33.095  23.039  29.891
   38    H4'   DC   4           H4'       DC   4  31.481  24.225  28.667
   39    H3'   DC   4           H3'       DC   4  30.471  21.998  30.202
   40    H2'   DC   4           H2'       DC   4  29.065  21.403  28.601
   41   H2''   DC   4          H2''       DC   4  28.277  22.887  28.837
   42    H1'   DC   4           H1'       DC   4  29.361  23.844  27.258
   43    H41   DC   4           H41       DC   4  27.057  21.045  22.216
   44    H42   DC   4           H42       DC   4  27.583  19.471  22.740
   45    H5    DC   4           H5        DC   4  28.456  19.095  24.943
   46    H6    DC   4           H6        DC   4  29.461  20.163  26.861
   47    H5'    G   5           H5'        G   5  28.499  25.723  29.379
   48   H5''    G   5          H5''        G   5  27.689  26.474  30.664
   49    H4'    G   5           H4'        G   5  26.642  27.110  28.675
   50    H3'    G   5           H3'        G   5  25.067  25.906  30.708
   51    H2'    G   5           H2'        G   5  24.942  24.046  29.318
   52   HO2'    G   5          2HO'        G   5  22.675  25.507  28.861
   53    H1'    G   5           H1'        G   5  24.615  26.140  27.114
   54    H8     G   5           H8         G   5  25.530  22.613  27.567
   55    H1     G   5           H1         G   5  22.580  23.865  22.072
   56    H21    G   5           H21        G   5  22.474  26.010  21.876
   57    H22    G   5           H22        G   5  23.038  27.070  23.124
   58    H5'   DG   6           H5'       DG   6  24.204  30.336  28.629
   59   H5''   DG   6          H5''       DG   6  23.695  31.290  30.024
   60    H4'   DG   6           H4'       DG   6  22.546  32.073  28.095
   61    H3'   DG   6           H3'       DG   6  20.946  31.220  30.084
   62    H2'   DG   6           H2'       DG   6  20.395  29.109  29.196
   63   H2''   DG   6          H2''       DG   6  19.195  29.985  28.322
   64    H1'   DG   6           H1'       DG   6  20.321  30.019  26.427
   65    H8    DG   6           H8        DG   6  22.128  27.572  28.722
   66    H1    DG   6           H1        DG   6  19.340  25.010  23.563
   67    H21   DG   6           H21       DG   6  18.553  26.581  22.286
   68    H22   DG   6           H22       DG   6  18.803  28.217  22.761
   69    H5'   DT   7           H5'       DT   7  18.506  32.276  26.307
   70   H5''   DT   7          H5''       DT   7  17.287  33.443  26.701
   71    H4'   DT   7           H4'       DT   7  16.435  31.833  25.090
   72    H3'   DT   7           H3'       DT   7  14.989  32.412  27.339
   73    H2'   DT   7           H2'       DT   7  15.663  30.397  28.446
   74   H2''   DT   7          H2''       DT   7  14.192  29.878  27.679
   75    H1'   DT   7           H1'       DT   7  15.319  29.108  25.729
   76    H3    DT   7           H3        DT   7  17.018  24.977  26.560
   77    H71   DT   7           H71       DT   7  19.291  26.694  30.346
   78    H72   DT   7           H72       DT   7  18.405  28.124  30.670
   79    H73   DT   7           H73       DT   7  17.739  26.591  31.032
   80    H6    DT   7           H6        DT   7  17.118  29.051  28.948
   81    H5'   DA   8           H5'       DA   8  12.999  30.675  23.253
   82   H5''   DA   8          H5''       DA   8  11.541  31.531  23.083
   83    H4'   DA   8           H4'       DA   8  11.301  29.472  21.966
   84    H3'   DA   8           H3'       DA   8   9.419  30.167  23.711
   85    H2'   DA   8           H2'       DA   8  10.113  28.889  25.561
   86   H2''   DA   8          H2''       DA   8   9.146  27.659  24.804
   87    H1'   DA   8           H1'       DA   8  10.883  26.637  23.760
   88    H8    DA   8           H8        DA   8  12.172  28.907  26.546
   89    H61   DA   8           H61       DA   8  14.662  23.697  28.794
   90    H62   DA   8           H62       DA   8  14.470  25.388  29.135
   91    H2    DA   8           H2        DA   8  12.512  22.654  25.165
   92    H5'   DG   9           H5'       DG   9   8.791  25.852  22.123
   93   H5''   DG   9          H5''       DG   9   7.151  25.436  21.798
   94    H4'   DG   9           H4'       DG   9   8.154  23.744  22.976
   95    H3'   DG   9           H3'       DG   9   5.801  24.822  24.005
   96   HO3'   DG   9           H3T       DG   9   6.366  22.344  24.189
   97    H2'   DG   9           H2'       DG   9   6.805  24.955  26.333
   98   H2''   DG   9          H2''       DG   9   6.476  23.265  26.242
   99    H1'   DG   9           H1'       DG   9   8.882  22.880  25.341
  100    H8    DG   9           H8        DG   9   8.751  26.310  27.027
  101    H1    DG   9           H1        DG   9  11.783  21.762  30.351
  102    H21   DG   9           H21       DG   9  11.514  19.878  29.375
  103    H22   DG   9           H22       DG   9  10.775  19.774  27.826
  104    H5'   DC  10           H5'       DC  10  15.286  15.069  35.382
  105   H5''   DC  10          H5''       DC  10  16.640  14.623  34.442
  106    H4'   DC  10           H4'       DC  10  14.698  14.684  33.050
  107    H3'   DC  10           H3'       DC  10  16.800  16.695  32.575
  108    H2'   DC  10           H2'       DC  10  15.387  17.701  30.903
  109   H2''   DC  10          H2''       DC  10  14.608  16.235  30.555
  110    H1'   DC  10           H1'       DC  10  12.855  16.762  31.992
  111    H41   DC  10           H41       DC  10  13.179  23.023  31.526
  112    H42   DC  10           H42       DC  10  14.368  23.237  32.736
  113    H5    DC  10           H5        DC  10  15.214  21.215  33.911
  114    H6    DC  10           H6        DC  10  15.076  18.734  33.907
  115    H5T   DC  10           H5T       DC  10  17.576  16.460  34.871
  116    H5'   DT  11           H5'       DT  11  15.171  14.161  29.148
  117   H5''   DT  11          H5''       DT  11  16.329  13.715  28.012
  118    H4'   DT  11           H4'       DT  11  14.255  14.458  27.006
  119    H3'   DT  11           H3'       DT  11  16.762  15.377  26.186
  120    H2'   DT  11           H2'       DT  11  16.211  17.285  26.213
  121   H2''   DT  11          H2''       DT  11  15.357  16.944  25.282
  122    H1'   DT  11           H1'       DT  11  13.703  17.426  26.357
  123    H3    DT  11           H3        DT  11  13.948  21.795  27.476
  124    H71   DT  11           H71       DT  11  17.339  19.577  30.527
  125    H72   DT  11           H72       DT  11  17.652  19.788  30.013
  126    H73   DT  11           H73       DT  11  17.391  20.197  30.406
  127    H6    DT  11           H6        DT  11  16.285  17.791  28.692
  128    H5'   DA  12           H5'       DA  12  13.747  16.642  23.041
  129   H5''   DA  12          H5''       DA  12  14.365  15.904  21.652
  130    H4'   DA  12           H4'       DA  12  13.295  17.968  21.167
  131    H3'   DA  12           H3'       DA  12  15.692  17.155  20.285
  132    H2'   DA  12           H2'       DA  12  17.116  18.430  21.492
  133   H2''   DA  12          H2''       DA  12  16.773  19.655  20.272
  134    H1'   DA  12           H1'       DA  12  15.323  20.756  21.595
  135    H8    DA  12           H8        DA  12  17.375  18.310  23.656
  136    H61   DA  12           H61       DA  12  18.090  23.218  27.452
  137    H62   DA  12           H62       DA  12  18.636  21.556  27.266
  138    H2    DA  12           H2        DA  12  15.723  24.439  24.221
  139    H5'   DC  13           H5'       DC  13  14.085  21.115  18.743
  140   H5''   DC  13          H5''       DC  13  14.073  21.126  16.982
  141    H4'   DC  13           H4'       DC  13  14.215  23.309  17.758
  142    H3'   DC  13           H3'       DC  13  16.205  22.368  16.084
  143    H2'   DC  13           H2'       DC  13  17.843  22.435  17.607
  144   H2''   DC  13          H2''       DC  13  17.967  24.173  17.245
  145    H1'   DC  13           H1'       DC  13  16.652  24.817  19.032
  146    H41   DC  13           H41       DC  13  19.976  22.815  23.981
  147    H42   DC  13           H42       DC  13  20.102  21.169  23.341
  148    H5    DC  13           H5        DC  13  19.124  20.547  21.264
  149    H6    DC  13           H6        DC  13  17.885  21.407  19.319
  150    H5'   DC  14           H5'       DC  14  16.947  26.696  16.881
  151   H5''   DC  14          H5''       DC  14  17.374  27.634  15.460
  152    H4'   DC  14           H4'       DC  14  18.950  28.035  17.061
  153    H3'   DC  14           H3'       DC  14  19.838  26.810  14.652
  154    H2'   DC  14           H2'       DC  14  21.000  25.175  15.804
  155   H2''   DC  14          H2''       DC  14  22.120  26.361  16.233
  156    H1'   DC  14           H1'       DC  14  21.135  26.843  18.217
  157    H41   DC  14           H41       DC  14  22.621  21.564  21.205
  158    H42   DC  14           H42       DC  14  22.169  20.626  19.853
  159    H5    DC  14           H5        DC  14  21.148  21.504  17.892
  160    H6    DC  14           H6        DC  14  20.323  23.576  16.870
  161    H5'   DG  15           H5'       DG  15  21.829  29.617  17.374
  162   H5''   DG  15          H5''       DG  15  22.894  30.652  16.618
  163    H4'   DG  15           H4'       DG  15  23.520  30.330  18.850
  164    H3'   DG  15           H3'       DG  15  25.310  29.808  16.790
  165    H2'   DG  15           H2'       DG  15  25.932  27.739  17.523
  166   H2''   DG  15          H2''       DG  15  26.766  28.537  18.759
  167    H1'   DG  15           H1'       DG  15  25.038  28.298  20.266
  168    H8    DG  15           H8        DG  15  24.492  25.722  17.510
  169    H1    DG  15           H1        DG  15  27.144  23.423  22.812
  170    H21   DG  15           H21       DG  15  27.545  25.052  24.085
  171    H22   DG  15           H22       DG  15  26.988  26.631  23.682
  172    H5'   DG  16           H5'       DG  16  27.076  31.752  20.613
  173   H5''   DG  16          H5''       DG  16  27.926  33.157  20.044
  174    H4'   DG  16           H4'       DG  16  28.844  32.491  22.108
  175    H3'   DG  16           H3'       DG  16  30.480  32.785  19.989
  176    H2'   DG  16           H2'       DG  16  30.699  30.651  19.382
  177   H2''   DG  16          H2''       DG  16  32.103  30.705  20.498
  178    H1'   DG  16           H1'       DG  16  30.862  29.660  22.248
  179    H8    DG  16           H8        DG  16  29.121  29.146  18.890
  180    H1    DG  16           H1        DG  16  30.512  23.826  22.157
  181    H21   DG  16           H21       DG  16  31.522  24.425  24.039
  182    H22   DG  16           H22       DG  16  31.832  26.113  24.373
  183    H5'   DA  17           H5'       DA  17  32.461  31.182  23.648
  184   H5''   DA  17          H5''       DA  17  33.861  32.024  24.154
  185    H4'   DA  17           H4'       DA  17  34.198  29.696  24.641
  186    H3'   DA  17           H3'       DA  17  35.970  30.716  22.591
  187    H2'   DA  17           H2'       DA  17  35.984  28.932  21.403
  188   H2''   DA  17          H2''       DA  17  36.556  28.086  22.773
  189    H1'   DA  17           H1'       DA  17  34.535  27.235  23.290
  190    H8    DA  17           H8        DA  17  33.916  28.884  19.944
  191    H61   DA  17           H61       DA  17  32.497  23.181  18.071
  192    H62   DA  17           H62       DA  17  32.540  24.856  17.540
  193    H2    DA  17           H2        DA  17  33.991  22.828  22.018
  194    H5'   DT  18           H5'       DT  18  37.011  27.539  25.458
  195   H5''   DT  18          H5''       DT  18  38.586  27.505  26.074
  196    H4'   DT  18           H4'       DT  18  37.933  25.268  25.540
  197    H3'   DT  18           H3'       DT  18  40.332  26.431  24.489
  198   HO3'   DT  18           H3T       DT  18  39.771  24.180  25.657
  199    H2'   DT  18           H2'       DT  18  39.810  26.082  22.342
  200   H2''   DT  18          H2''       DT  18  40.318  24.462  22.646
  201    H1'   DT  18           H1'       DT  18  38.030  23.726  23.132
  202    H3    DT  18           H3        DT  18  36.631  22.963  18.985
  203    H71   DT  18           H71       DT  18  37.884  27.484  18.003
  204    H72   DT  18           H72       DT  18  36.207  27.724  18.400
  205    H73   DT  18           H73       DT  18  37.457  28.348  19.470
  206    H6    DT  18           H6        DT  18  37.898  26.912  21.428
  Start of MODEL    3
    1    H5'   DA   1           H5'       DA   1  36.816  10.840  16.479
    2   H5''   DA   1          H5''       DA   1  35.790   9.552  16.844
    3    H4'   DA   1           H4'       DA   1  36.344  10.519  18.790
    4    H3'   DA   1           H3'       DA   1  33.631  10.382  18.037
    5    H2'   DA   1           H2'       DA   1  33.234  12.532  18.321
    6   H2''   DA   1          H2''       DA   1  33.354  12.255  19.921
    7    H1'   DA   1           H1'       DA   1  35.430  13.055  20.080
    8    H8    DA   1           H8        DA   1  33.432  14.293  17.018
    9    H61   DA   1           H61       DA   1  35.737  19.778  18.728
   10    H62   DA   1           H62       DA   1  34.543  19.086  17.678
   11    H2    DA   1           H2        DA   1  37.377  16.836  21.343
   12    H5T   DA   1           H5T       DA   1  35.190  11.969  15.684
   13    H5'   DT   2           H5'       DT   2  34.783  10.962  22.209
   14   H5''   DT   2          H5''       DT   2  33.843  10.115  23.374
   15    H4'   DT   2           H4'       DT   2  34.454  12.309  24.228
   16    H3'   DT   2           H3'       DT   2  31.754  11.579  24.115
   17    H2'   DT   2           H2'       DT   2  31.142  13.373  22.805
   18   H2''   DT   2          H2''       DT   2  31.165  14.198  24.346
   19    H1'   DT   2           H1'       DT   2  33.400  14.885  24.033
   20    H3    DT   2           H3        DT   2  33.225  18.517  21.456
   21    H71   DT   2           H71       DT   2  29.822  16.384  18.958
   22    H72   DT   2           H72       DT   2  31.160  15.921  18.044
   23    H73   DT   2           H73       DT   2  30.257  14.764  18.940
   24    H6    DT   2           H6        DT   2  31.464  14.116  20.979
   25    H5'   DC   3           H5'       DC   3  33.694  14.845  26.789
   26   H5''   DC   3          H5''       DC   3  33.101  14.632  28.386
   27    H4'   DC   3           H4'       DC   3  33.596  16.909  28.077
   28    H3'   DC   3           H3'       DC   3  30.983  15.993  28.809
   29    H2'   DC   3           H2'       DC   3  29.941  17.016  27.152
   30   H2''   DC   3          H2''       DC   3  30.226  18.392  28.005
   31    H1'   DC   3           H1'       DC   3  32.034  18.979  26.768
   32    H41   DC   3           H41       DC   3  29.447  20.068  21.211
   33    H42   DC   3           H42       DC   3  28.948  18.399  21.098
   34    H5    DC   3           H5        DC   3  29.512  16.724  22.676
   35    H6    DC   3           H6        DC   3  30.484  16.339  24.846
   36    H5'   DC   4           H5'       DC   4  31.962  20.335  29.702
   37   H5''   DC   4          H5''       DC   4  31.317  20.887  31.233
   38    H4'   DC   4           H4'       DC   4  30.908  22.548  29.676
   39    H3'   DC   4           H3'       DC   4  28.685  21.213  30.836
   40    H2'   DC   4           H2'       DC   4  27.620  21.298  29.172
   41   H2''   DC   4          H2''       DC   4  27.575  22.779  29.221
   42    H1'   DC   4           H1'       DC   4  29.105  23.089  27.707
   43    H41   DC   4           H41       DC   4  26.233  20.712  22.690
   44    H42   DC   4           H42       DC   4  26.142  19.120  23.398
   45    H5    DC   4           H5        DC   4  26.995  18.574  25.570
   46    H6    DC   4           H6        DC   4  28.113  19.470  27.509
   47    H5'    G   5           H5'        G   5  28.218  25.612  30.089
   48   H5''    G   5          H5''        G   5  27.321  26.425  31.357
   49    H4'    G   5           H4'        G   5  26.732  27.461  29.300
   50    H3'    G   5           H3'        G   5  24.759  26.528  31.020
   51    H2'    G   5           H2'        G   5  24.686  24.655  29.680
   52   HO2'    G   5          2HO'        G   5  22.524  26.060  28.491
   53    H1'    G   5           H1'        G   5  24.639  26.636  27.356
   54    H8     G   5           H8         G   5  25.076  22.933  27.892
   55    H1     G   5           H1         G   5  23.255  24.702  22.041
   56    H21    G   5           H21        G   5  23.400  26.941  21.935
   57    H22    G   5           H22        G   5  23.680  27.828  23.404
   58    H5'   DG   6           H5'       DG   6  24.825  30.468  28.505
   59   H5''   DG   6          H5''       DG   6  24.515  31.727  29.648
   60    H4'   DG   6           H4'       DG   6  23.693  32.612  27.679
   61    H3'   DG   6           H3'       DG   6  21.728  32.301  29.560
   62    H2'   DG   6           H2'       DG   6  20.973  30.203  28.787
   63   H2''   DG   6          H2''       DG   6  19.901  31.281  27.848
   64    H1'   DG   6           H1'       DG   6  21.214  30.959  25.913
   65    H8    DG   6           H8        DG   6  22.241  28.255  28.595
   66    H1    DG   6           H1        DG   6  19.947  25.981  23.046
   67    H21   DG   6           H21       DG   6  19.543  27.627  21.747
   68    H22   DG   6           H22       DG   6  20.038  29.264  22.074
   69    H5'   DT   7           H5'       DT   7  20.422  33.647  25.388
   70   H5''   DT   7          H5''       DT   7  19.199  34.905  25.350
   71    H4'   DT   7           H4'       DT   7  18.771  33.382  23.620
   72    H3'   DT   7           H3'       DT   7  16.794  33.522  25.823
   73    H2'   DT   7           H2'       DT   7  15.862  31.641  25.250
   74   H2''   DT   7          H2''       DT   7  15.923  32.004  23.618
   75    H1'   DT   7           H1'       DT   7  17.702  30.764  23.269
   76    H3    DT   7           H3        DT   7  16.968  26.556  24.653
   77    H71   DT   7           H71       DT   7  17.969  29.587  29.055
   78    H72   DT   7           H72       DT   7  17.005  28.159  29.137
   79    H73   DT   7           H73       DT   7  18.733  28.016  28.934
   80    H6    DT   7           H6        DT   7  17.837  30.682  26.988
   81    H5'   DA   8           H5'       DA   8  15.295  33.189  21.798
   82   H5''   DA   8          H5''       DA   8  14.058  34.283  21.385
   83    H4'   DA   8           H4'       DA   8  13.490  32.162  20.464
   84    H3'   DA   8           H3'       DA   8  11.652  33.546  21.907
   85    H2'   DA   8           H2'       DA   8  11.959  32.476  23.837
   86   H2''   DA   8          H2''       DA   8  10.591  31.532  23.191
   87    H1'   DA   8           H1'       DA   8  12.061  29.793  22.486
   88    H8    DA   8           H8        DA   8  13.075  31.937  25.438
   89    H61   DA   8           H61       DA   8  14.676  26.516  27.980
   90    H62   DA   8           H62       DA   8  14.442  28.231  28.324
   91    H2    DA   8           H2        DA   8  13.427  25.702  23.988
   92    H5'   DG   9           H5'       DG   9  10.303  29.584  20.044
   93   H5''   DG   9          H5''       DG   9   8.685  29.582  19.389
   94    H4'   DG   9           H4'       DG   9   9.240  27.491  20.574
   95    H3'   DG   9           H3'       DG   9   6.932  29.030  21.150
   96   HO3'   DG   9           H3T       DG   9   6.125  26.913  21.111
   97    H2'   DG   9           H2'       DG   9   7.504  28.949  23.504
   98   H2''   DG   9          H2''       DG   9   6.727  27.375  23.385
   99    H1'   DG   9           H1'       DG   9   9.060  26.382  22.822
  100    H8    DG   9           H8        DG   9   9.442  29.627  24.743
  101    H1    DG   9           H1        DG   9  11.109  24.384  28.086
  102    H21   DG   9           H21       DG   9  10.588  22.638  26.877
  103    H22   DG   9           H22       DG   9  10.034  22.777  25.247
  104    H5'   DC  10           H5'       DC  10  11.858  18.190  33.696
  105   H5''   DC  10          H5''       DC  10  12.773  16.918  33.201
  106    H4'   DC  10           H4'       DC  10  11.165  16.939  31.657
  107    H3'   DC  10           H3'       DC  10  13.682  17.384  30.914
  108    H2'   DC  10           H2'       DC  10  13.340  19.544  30.343
  109   H2''   DC  10          H2''       DC  10  12.765  18.843  29.169
  110    H1'   DC  10           H1'       DC  10  10.837  19.418  29.738
  111    H41   DC  10           H41       DC  10  11.833  25.569  30.107
  112    H42   DC  10           H42       DC  10  12.281  25.425  31.772
  113    H5    DC  10           H5        DC  10  12.372  23.308  32.894
  114    H6    DC  10           H6        DC  10  12.180  20.936  32.610
  115    H5T   DC  10           H5T       DC  10  13.551  19.129  33.671
  116    H5'   DT  11           H5'       DT  11  11.471  17.403  27.281
  117   H5''   DT  11          H5''       DT  11  12.086  16.227  26.184
  118    H4'   DT  11           H4'       DT  11  11.501  18.243  24.993
  119    H3'   DT  11           H3'       DT  11  14.398  17.666  25.231
  120    H2'   DT  11           H2'       DT  11  14.991  19.747  24.980
  121   H2''   DT  11          H2''       DT  11  14.018  19.968  23.609
  122    H1'   DT  11           H1'       DT  11  12.281  20.806  24.831
  123    H3    DT  11           H3        DT  11  14.081  24.763  26.383
  124    H71   DT  11           H71       DT  11  14.741  22.345  30.414
  125    H72   DT  11           H72       DT  11  15.286  20.842  29.877
  126    H73   DT  11           H73       DT  11  16.323  22.233  29.663
  127    H6    DT  11           H6        DT  11  14.245  20.184  27.776
  128    H5'   DA  12           H5'       DA  12  12.469  19.049  21.407
  129   H5''   DA  12          H5''       DA  12  12.852  18.042  20.117
  130    H4'   DA  12           H4'       DA  12  12.496  20.350  19.352
  131    H3'   DA  12           H3'       DA  12  14.625  18.863  18.497
  132    H2'   DA  12           H2'       DA  12  16.310  19.759  19.922
  133   H2''   DA  12          H2''       DA  12  16.348  21.028  18.666
  134    H1'   DA  12           H1'       DA  12  15.005  22.497  19.743
  135    H8    DA  12           H8        DA  12  16.488  19.798  22.126
  136    H61   DA  12           H61       DA  12  17.462  24.645  25.896
  137    H62   DA  12           H62       DA  12  17.634  22.903  25.784
  138    H2    DA  12           H2        DA  12  15.574  26.125  22.354
  139    H5'   DC  13           H5'       DC  13  14.281  23.234  16.978
  140   H5''   DC  13          H5''       DC  13  14.835  23.433  15.331
  141    H4'   DC  13           H4'       DC  13  15.367  25.312  16.813
  142    H3'   DC  13           H3'       DC  13  17.475  23.887  15.329
  143    H2'   DC  13           H2'       DC  13  18.817  23.837  17.085
  144   H2''   DC  13          H2''       DC  13  18.937  25.642  16.835
  145    H1'   DC  13           H1'       DC  13  17.288  26.098  18.430
  146    H41   DC  13           H41       DC  13  20.331  23.899  23.534
  147    H42   DC  13           H42       DC  13  20.455  22.306  22.843
  148    H5    DC  13           H5        DC  13  19.633  21.743  20.605
  149    H6    DC  13           H6        DC  13  18.406  22.670  18.747
  150    H5'   DC  14           H5'       DC  14  18.241  28.264  16.198
  151   H5''   DC  14          H5''       DC  14  18.964  29.133  14.813
  152    H4'   DC  14           H4'       DC  14  20.281  29.538  16.713
  153    H3'   DC  14           H3'       DC  14  21.463  28.270  14.420
  154    H2'   DC  14           H2'       DC  14  22.069  26.405  15.519
  155   H2''   DC  14          H2''       DC  14  23.416  27.339  16.129
  156    H1'   DC  14           H1'       DC  14  22.354  28.112  18.050
  157    H41   DC  14           H41       DC  14  22.980  22.666  21.098
  158    H42   DC  14           H42       DC  14  22.568  21.758  19.734
  159    H5    DC  14           H5        DC  14  21.751  22.779  17.738
  160    H6    DC  14           H6        DC  14  21.285  24.937  16.658
  161    H5'   DG  15           H5'       DG  15  23.941  30.101  17.626
  162   H5''   DG  15          H5''       DG  15  25.254  31.145  17.055
  163    H4'   DG  15           H4'       DG  15  26.113  30.102  18.940
  164    H3'   DG  15           H3'       DG  15  27.254  29.117  16.486
  165    H2'   DG  15           H2'       DG  15  27.377  27.085  17.248
  166   H2''   DG  15          H2''       DG  15  28.440  27.655  18.359
  167    H1'   DG  15           H1'       DG  15  26.824  27.864  19.914
  168    H8    DG  15           H8        DG  15  25.593  25.415  17.300
  169    H1    DG  15           H1        DG  15  26.980  22.960  23.092
  170    H21   DG  15           H21       DG  15  27.684  24.646  24.358
  171    H22   DG  15           H22       DG  15  27.710  26.260  23.773
  172    H5'   DG  16           H5'       DG  16  29.419  30.609  20.221
  173   H5''   DG  16          H5''       DG  16  30.895  31.409  19.830
  174    H4'   DG  16           H4'       DG  16  30.946  30.484  22.028
  175    H3'   DG  16           H3'       DG  16  33.067  30.102  20.274
  176    H2'   DG  16           H2'       DG  16  32.407  27.998  19.673
  177   H2''   DG  16          H2''       DG  16  33.559  27.604  20.954
  178    H1'   DG  16           H1'       DG  16  31.806  27.504  22.608
  179    H8    DG  16           H8        DG  16  30.613  26.870  19.097
  180    H1    DG  16           H1        DG  16  30.215  21.851  22.931
  181    H21   DG  16           H21       DG  16  31.090  22.446  24.860
  182    H22   DG  16           H22       DG  16  31.481  24.069  25.205
  183    H5'   DA  17           H5'       DA  17  33.005  28.056  24.467
  184   H5''   DA  17          H5''       DA  17  34.288  28.826  25.349
  185    H4'   DA  17           H4'       DA  17  33.959  26.895  26.425
  186    H3'   DA  17           H3'       DA  17  36.384  27.344  25.364
  187    H2'   DA  17           H2'       DA  17  36.297  25.902  23.581
  188   H2''   DA  17          H2''       DA  17  36.829  24.652  24.749
  189    H1'   DA  17           H1'       DA  17  34.723  24.002  25.334
  190    H8    DA  17           H8        DA  17  34.592  25.686  22.014
  191    H61   DA  17           H61       DA  17  32.863  20.085  19.880
  192    H62   DA  17           H62       DA  17  33.082  21.750  19.381
  193    H2    DA  17           H2        DA  17  33.689  19.738  24.088
  194    H5'   DT  18           H5'       DT  18  36.563  23.369  27.617
  195   H5''   DT  18          H5''       DT  18  37.958  23.324  28.639
  196    H4'   DT  18           H4'       DT  18  37.789  21.237  27.427
  197    H3'   DT  18           H3'       DT  18  39.941  23.026  26.512
  198   HO3'   DT  18           H3T       DT  18  41.068  21.203  27.038
  199    H2'   DT  18           H2'       DT  18  39.922  22.172  24.486
  200   H2''   DT  18          H2''       DT  18  40.211  20.610  25.152
  201    H1'   DT  18           H1'       DT  18  37.957  20.056  25.235
  202    H3    DT  18           H3        DT  18  36.780  19.497  20.946
  203    H71   DT  18           H71       DT  18  36.841  24.172  20.333
  204    H72   DT  18           H72       DT  18  37.925  24.794  21.497
  205    H73   DT  18           H73       DT  18  38.467  23.970  20.225
  206    H6    DT  18           H6        DT  18  38.189  23.323  23.478