*HEADER    DNA                                     19-JUN-03   1PQT              
*TITLE     REFINEMENT OF D(GCGAAGC) HAIRPIN STRUCTURE USING ONE- AND             
*TITLE    2 TWO-BOND RESIDUAL DIPOLAR COUPLINGS                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*CP*GP*AP*AP*GP*C)-3';                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN                     
*SOURCE   4 REPLICATION ORIGINS OF PHAGE PHIX174, IN HERPES SIMPLEX              
*SOURCE   5 VIRUS, IN E. COLI HEAT-SHOCK GENE AND RRNA GENES.                    
*KEYWDS    HAIRPIN, DNA, GA MISMATCH                                             
*EXPDTA    NMR, 14 STRUCTURES                                                    
*AUTHOR    P.PADRTA, R.STEFL, L.ZIDEK, V.SKLENAR                                 
*REVDAT   1   01-JUL-03 1PQT    0                                                
# The atomnumbering does not correspond to the one in the pdb file. Instead
# the atom numbers, as well as atom/residue names, correspond to default
# naming/numbering convention in AMBER 6/7, the exception being the NOE
# restraints converted by program mardi2amber (search for string "mardi" and
# see the note). The RDC restraints can be read only by SANDER 7, compiled
# with unofficial modification from D. Case to allow flat-bottom potential for
# RDCs.


####################################################################
#  WC retraints, WC by Saenger
#  GA sheared mismatch is switched off
###################################################################
#
# 1  GUA  H1     7  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 213, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 1  GUA  H21    7  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 215, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
# 1  GUA  N1     7  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 213, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
# 1  GUA  O6     7  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 212, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 1  GUA  O6     7  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 210, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
# 2  CYT  H41    6  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 177, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 2  CYT  N3     6  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 179, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
# 2  CYT  N3     6  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 178, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
# 2  CYT  N4     6  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 177, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
# 2  CYT  O2     6  GUA  H21     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  55, 182, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
# 3  GUA  H22    5  ADE  N7      1.80   2.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  86, 142, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
# 3  GUA  N2     5  ADE  N7      2.80   3.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  84, 142, r1= 2.30, r2= 2.80, r3= 3.10, r4= 3.60,  &end
#
# 3  GUA  N3     5  ADE  H62     1.80   2.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  87, 147, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
# 3  GUA  N3     5  ADE  N6      2.80   3.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  87, 145, r1= 2.30, r2= 2.80, r3= 3.10, r4= 3.60,  &end
################################################################################
#
# NOE distances
# converted by mardi2amber (atomnumbers (iat=...) are in fact residue numbers
# but SANDER 7.0 seems to be happy with the atomnames)
#
# distance constraint number   1
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.306, r2 = 1.806, r3 = 3.161, r4 = 3.661,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   2
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 1.082, r2 = 1.582, r3 = 2.769, r4 = 3.269,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   3
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.127, r2 = 2.627, r3 = 4.598, r4 = 5.098,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   4
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 2.243, r2 = 2.743, r3 = 4.800, r4 = 5.300,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   5
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 3.213, r2 = 3.713, r3 = 6.499, r4 = 6.999,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   6
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 1.240, r2 = 1.740, r3 = 3.045, r4 = 3.545,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   7
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 1.473, r2 = 1.973, r3 = 3.454, r4 = 3.954,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   8
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.190, r2 = 2.690, r3 = 4.708, r4 = 5.208,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number   9
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.271, r2 = 1.771, r3 = 3.100, r4 = 3.600,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  10
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.962, r2 = 2.462, r3 = 4.309, r4 = 4.809,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  11
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.757, r2 = 3.257, r3 = 5.700, r4 = 6.200,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  12
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 4.617, r2 = 5.117, r3 = 8.954, r4 = 9.454,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  13
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.490, r2 = 2.990, r3 = 5.233, r4 = 5.733,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  14
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.973, r2 = 3.473, r3 = 6.078, r4 = 6.578,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  15
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.402, r2 = 1.902, r3 = 3.328, r4 = 3.828,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  16
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.491, r2 = 2.991, r3 = 5.234, r4 = 5.734,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  17
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 1.889, r2 = 2.389, r3 = 4.180, r4 = 4.680,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  18
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 2.492, r2 = 2.992, r3 = 5.236, r4 = 5.736,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  19
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H2''1',
       r1 = 0.900, r2 = 1.400, r3 = 2.450, r4 = 2.950,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  20
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 1.582, r2 = 2.082, r3 = 3.644, r4 = 4.144,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  21
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 1.502, r2 = 2.002, r3 = 3.504, r4 = 4.004,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  22
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.952, r2 = 2.452, r3 = 4.290, r4 = 4.790,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  23
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 2.181, r2 = 2.681, r3 = 4.692, r4 = 5.192,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  24
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.079, r2 = 2.579, r3 = 4.513, r4 = 5.013,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  25
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 1.675, r2 = 2.175, r3 = 3.805, r4 = 4.305,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  26
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 1.270, r2 = 1.770, r3 = 3.097, r4 = 3.597,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  27
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.115, r2 = 2.615, r3 = 4.576, r4 = 5.076,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  28
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 1.314, r2 = 1.814, r3 = 3.175, r4 = 3.675,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  29
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 1.594, r2 = 2.094, r3 = 3.664, r4 = 4.164,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  30
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 2.317, r2 = 2.817, r3 = 4.930, r4 = 5.430,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  31
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
       r1 = 3.045, r2 = 3.545, r3 = 6.204, r4 = 6.704,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  32
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H5',
       r1 = 0.892, r2 = 1.392, r3 = 2.436, r4 = 2.936,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  33
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.560, r2 = 2.060, r3 = 3.605, r4 = 4.105,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  34
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 1.276, r2 = 1.776, r3 = 3.107, r4 = 3.607,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  35
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 2.304, r2 = 2.804, r3 = 4.907, r4 = 5.407,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  36
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 1.734, r2 = 2.234, r3 = 3.909, r4 = 4.409,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  37
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 2.138, r2 = 2.638, r3 = 4.617, r4 = 5.117,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  38
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 2.475, r2 = 2.975, r3 = 5.206, r4 = 5.706,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  39
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 3.343, r2 = 3.843, r3 = 6.725, r4 = 7.225,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  40
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.982, r2 = 2.482, r3 = 4.344, r4 = 4.844,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  41
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.646, r2 = 2.146, r3 = 3.756, r4 = 4.256,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  42
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.892, r2 = 3.392, r3 = 5.936, r4 = 6.436,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  43
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.784, r2 = 3.284, r3 = 5.746, r4 = 6.246,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  44
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.317, r2 = 2.817, r3 = 4.929, r4 = 5.429,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  45
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.390, r2 = 1.890, r3 = 3.308, r4 = 3.808,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  46
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.793, r2 = 2.293, r3 = 4.012, r4 = 4.512,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  47
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.510, r2 = 3.010, r3 = 5.268, r4 = 5.768,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  48
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 3.976, r2 = 4.476, r3 = 7.833, r4 = 8.333,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  49
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.994, r2 = 3.494, r3 = 6.114, r4 = 6.614,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  50
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 1.502, r2 = 2.002, r3 = 3.503, r4 = 4.003,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  51
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 1.581, r2 = 2.081, r3 = 3.641, r4 = 4.141,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  52
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.714, r2 = 2.214, r3 = 3.875, r4 = 4.375,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  53
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 2.232, r2 = 2.732, r3 = 4.781, r4 = 5.281,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  54
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.781, r2 = 2.281, r3 = 3.992, r4 = 4.492,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  55
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.951, r2 = 3.451, r3 = 6.039, r4 = 6.539,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  56
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 4.867, r2 = 5.367, r3 = 9.393, r4 = 9.893,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  57
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.047, r2 = 2.547, r3 = 4.458, r4 = 4.958,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  58
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.268, r2 = 1.768, r3 = 3.094, r4 = 3.594,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  59
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.662, r2 = 2.162, r3 = 3.784, r4 = 4.284,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  60
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.674, r2 = 3.174, r3 = 5.554, r4 = 6.054,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  61
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 3.599, r2 = 4.099, r3 = 7.173, r4 = 7.673,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  62
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.737, r2 = 3.237, r3 = 5.665, r4 = 6.165,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  63
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 1.580, r2 = 2.080, r3 = 3.640, r4 = 4.140,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  64
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.395, r2 = 2.895, r3 = 5.067, r4 = 5.567,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  65
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 1.508, r2 = 2.008, r3 = 3.514, r4 = 4.014,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  66
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.874, r2 = 3.374, r3 = 5.904, r4 = 6.404,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  67
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 2.981, r2 = 3.481, r3 = 6.092, r4 = 6.592,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  68
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.634, r2 = 3.134, r3 = 5.485, r4 = 5.985,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  69
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 2.017, r2 = 2.517, r3 = 4.405, r4 = 4.905,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  70
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 1.831, r2 = 2.331, r3 = 4.080, r4 = 4.580,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  71
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.338, r2 = 2.838, r3 = 4.966, r4 = 5.466,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  72
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.466, r2 = 2.966, r3 = 5.191, r4 = 5.691,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  73
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 3.755, r2 = 4.255, r3 = 7.447, r4 = 7.947,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  74
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.654, r2 = 3.154, r3 = 5.519, r4 = 6.019,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  75
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 3.058, r2 = 3.558, r3 = 6.227, r4 = 6.727,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  76
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.276, r2 = 2.776, r3 = 4.858, r4 = 5.358,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  77
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.300, r2 = 1.800, r3 = 3.150, r4 = 3.650,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  78
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 1.104, r2 = 1.604, r3 = 2.807, r4 = 3.307,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  79
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.716, r2 = 2.216, r3 = 3.878, r4 = 4.378,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  80
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 2.101, r2 = 2.601, r3 = 4.552, r4 = 5.052,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  81
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 1.023, r2 = 1.523, r3 = 2.666, r4 = 3.166,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  82
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 1.133, r2 = 1.633, r3 = 2.858, r4 = 3.358,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  83
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.756, r2 = 2.256, r3 = 3.948, r4 = 4.448,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  84
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.039, r2 = 2.539, r3 = 4.443, r4 = 4.943,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  85
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 1.620, r2 = 2.120, r3 = 3.711, r4 = 4.211,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  86
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 2.263, r2 = 2.763, r3 = 4.836, r4 = 5.336,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  87
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 2.079, r2 = 2.579, r3 = 4.514, r4 = 5.014,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  88
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
       r1 = 3.329, r2 = 3.829, r3 = 6.700, r4 = 7.200,
       rk2 =32.000, rk3 =32.000, &end
# distance constraint number  89
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H5',
       r1 = 0.903, r2 = 1.403, r3 = 2.455, r4 = 2.955,
       rk2 =32.000, rk3 =32.000, &end

# end of mardi2amber output
#########################################################################
# torsions
# 1 GUA EPSLN:  (1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3')-(2 DC P) 150.0 210.0
 &rst     iat =     6,    26,    31,    32,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
   rk2 =   500.0, rk3 =   500.0,    &end

# 2 CYT EPSLN:  (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DG P) 150.0 210.0
 &rst     iat =    39,    56,    61,    62,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ADE EPSLN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 150.0 210.0
 &rst     iat =   102,   121,   126,   127,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 5 ADE EPSLN:  (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 150.0 210.0
 &rst     iat =   134,   153,   158,   159,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 GUA EPSLN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DC3 P) 150.0 210.0
 &rst     iat =   166,   186,   191,   192,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 2 CYT BETA:  (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') 150.0 210.0
 &rst     iat =    32,    35,    36,    39,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 3 GUA BETA:  (3 DG P)-(3 DG O5')-(3 DG C5')-(3 DG C4') 150.0 210.0
 &rst     iat =    62,    65,    66,    69,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') 150.0 210.0
 &rst     iat =    95,    98,    99,   102,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 5 ADE BETA:  (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') 150.0 210.0
 &rst     iat =   127,   130,   131,   134,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 GUA BETA:  (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') 150.0 210.0
 &rst     iat =   159,   162,   163,   166,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 CYT BETA:  (7 DC3 P)-(7 DC3 O5')-(7 DC3 C5')-(7 DC3 C4') 150.0 210.0
 &rst     iat =   192,   195,   196,   199,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 2 CYT GAMMA:  (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3')  25.0  85.0
 &rst     iat =    35,    36,    39,    56,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 3 GUA GAMMA:  (3 DG O5')-(3 DG C5')-(3 DG C4')-(3 DG C3')  25.0  85.0
 &rst     iat =    65,    66,    69,    89,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 4 ADE GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  25.0  85.0
 &rst     iat =    98,    99,   102,   121,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 5 ADE GAMMA:  (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 130.0 230.0
 &rst     iat =   130,   131,   134,   153,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 6 GUA GAMMA:  (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3')  25.0  85.0
 &rst     iat =   162,   163,   166,   186,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 7 CYT GAMMA:  (7 DC3 O5')-(7 DC3 C5')-(7 DC3 C4')-(7 DC3 C3')  25.0  85.0
 &rst     iat =   195,   196,   199,   216,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 1 GUA NU0:  (1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2') 342.0 359.1
 &rst     iat =     6,     8,     9,    28,
   r1 = 341.0, r2 = 342.0, r3 = 359.1, r4 = 360.1,
 &end

# 1 GUA NU1:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')  25.4  30.8
 &rst     iat =     8,     9,    28,    26,
   r1 =  24.4, r2 =  25.4, r3 =  30.8, r4 =  31.8,
 &end

# 1 GUA NU2:  (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') 318.8 331.3
 &rst     iat =     9,    28,    26,     6,
   r1 = 317.8, r2 = 318.8, r3 = 331.3, r4 = 332.3,
 &end

# 1 GUA NU3:  (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')  18.1  39.7
 &rst     iat =    28,    26,     6,     8,
   r1 =  17.1, r2 =  18.1, r3 =  39.7, r4 =  40.7,
 &end

# 1 GUA NU4:  (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') 336.0 359.4
 &rst     iat =    26,     6,     8,     9,
   r1 = 335.0, r2 = 336.0, r3 = 359.4, r4 = 360.4,
 &end

# 2 CYT NU0:  (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') 316.8 328.9
 &rst     iat =    39,    41,    42,    58,
   r1 = 315.8, r2 = 316.8, r3 = 328.9, r4 = 329.9,
 &end

# 2 CYT NU1:  (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3')  38.3  42.2
 &rst     iat =    41,    42,    58,    56,
   r1 =  37.3, r2 =  38.3, r3 =  42.2, r4 =  43.2,
 &end

# 2 CYT NU2:  (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') 328.0 335.0
 &rst     iat =    42,    58,    56,    39,
   r1 = 327.0, r2 = 328.0, r3 = 335.0, r4 = 336.0,
 &end

# 2 CYT NU3:  (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4')  -1.6  12.7
 &rst     iat =    58,    56,    39,    41,
   r1 =  -2.6, r2 =  -1.6, r3 =  12.7, r4 =  13.7,
 &end

# 2 CYT NU4:  (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1')  11.4  27.7
 &rst     iat =    56,    39,    41,    42,
   r1 =  10.4, r2 =  11.4, r3 =  27.7, r4 =  28.7,
 &end

# 3 GUA NU0:  (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') 332.2 350.1
 &rst     iat =    69,    71,    72,    91,
   r1 = 331.2, r2 = 332.2, r3 = 350.1, r4 = 351.1,
 &end

# 3 GUA NU1:  (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3')  31.6  41.0
 &rst     iat =    71,    72,    91,    89,
   r1 =  30.6, r2 =  31.6, r3 =  41.0, r4 =  42.0,
 &end

# 3 GUA NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') 318.0 325.6
 &rst     iat =    72,    91,    89,    69,
   r1 = 317.0, r2 = 318.0, r3 = 325.6, r4 = 326.6,
 &end

# 3 GUA NU3:  (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4')  21.3  35.8
 &rst     iat =    91,    89,    69,    71,
   r1 =  20.3, r2 =  21.3, r3 =  35.8, r4 =  36.8,
 &end

# 3 GUA NU4:  (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -16.0   4.0
 &rst     iat =    89,    69,    71,    72,
   r1 = -17.0, r2 = -16.0, r3 =   4.0, r4 =   5.0,
 &end

# 4 ADE NU0:  (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') 320.4 335.0
 &rst     iat =   102,   104,   105,   123,
   r1 = 319.4, r2 = 320.4, r3 = 335.0, r4 = 336.0,
 &end

# 4 ADE NU1:  (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3')  36.1  42.0
 &rst     iat =   104,   105,   123,   121,
   r1 =  35.1, r2 =  36.1, r3 =  42.0, r4 =  43.0,
 &end

# 4 ADE NU2:  (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') 323.3 334.5
 &rst     iat =   105,   123,   121,   102,
   r1 = 322.3, r2 = 323.3, r3 = 334.5, r4 = 335.5,
 &end

# 4 ADE NU3:  (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4')   1.0  18.0
 &rst     iat =   123,   121,   102,   104,
   r1 =   0.0, r2 =   1.0, r3 =  18.0, r4 =  19.0,
 &end

# 4 ADE NU4:  (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1')   4.3  23.9
 &rst     iat =   121,   102,   104,   105,
   r1 =   3.3, r2 =   4.3, r3 =  23.9, r4 =  24.9,
 &end

#additional NOE distances
# 6 DG    H1'   5 DA    H2     4.224 7.391
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 150, r1= 3.72, r2= 4.22, r3= 7.39, r4= 7.89, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 4 DA    H1'   4 DA    H2     3.550 6.213
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 118, r1= 3.05, r2= 3.55, r3= 6.21, r4= 6.71,  &end
#
# 5 DA    H1'   5 DA    H2     4.194 7.340
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 150, r1= 3.69, r2= 4.19, r3= 7.34, r4= 7.84,  &end
#
# 4 DA    H4'   5 DA    H2     3.793 6.638
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 150, r1= 3.29, r2= 3.79, r3= 6.64, r4= 7.14,  &end
#
# 3 DG    H4'   5 DA    H2     4.253 7.443
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 150, r1= 3.75, r2= 4.25, r3= 7.44, r4= 7.94,  &end
#
# 4 DA    Q5'   5 DA    H2     3.470 6.072
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 2.97, r2= 3.47, r3= 6.82, r4= 7.32,
 igr1= 100, 101,
 &end
#
# 4 DA    Q5'   5 DA    H2     3.956 6.923
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 3.46, r2= 3.96, r3= 7.77, r4= 8.27,
 igr1= 100, 101,
 &end
#
# 5 DA    Q5'   5 DA    H8     2.695 4.716
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 2.19, r2= 2.69, r3= 5.29, r4= 5.79,
 igr1= 132, 133,
 &end
#
# 5 DA    Q5'   5 DA    H8     3.308 5.789
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 2.81, r2= 3.31, r3= 6.50, r4= 7.00,
 igr1= 132, 133,
 &end
#
# 4 DA    Q5'   3 DG    H1'    2.481 4.342
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 1.98, r2= 2.48, r3= 4.87, r4= 5.37,
 igr1= 100, 101,
 &end


# residual dipolar couplings (RDCs)
 &align
  ndip=38, dcut=0.0,
  dwt=38*0.3,
  gigj=38*7.84425,
  s11=0,s12=0,s13=0,s22=0,s23=0,
id(1)=42,  jd(1)=43,  dobsl(1)=-0.3, dobsu(1)=1.3  dij(1)=1.09508,
id(2)=72,  jd(2)=73,  dobsl(2)=-17.0859, dobsu(2)=-15.4873  dij(2)=1.09508,
id(3)=169,  jd(3)=170,  dobsl(3)=-1.60431, dobsu(3)=0  dij(3)=1.09508,
id(4)=202,  jd(4)=203,  dobsl(4)=-6.54948, dobsu(4)=-4.96172  dij(4)=1.09508,
id(5)=216,  jd(5)=217,  dobsl(5)=-3.37515, dobsu(5)=-1.78685  dij(5)=1.09508,
id(6)=6,  jd(6)=7,  dobsl(6)=-0.69414, dobsu(6)=0.892466  dij(6)=1.09508,
id(7)=39,  jd(7)=40,  dobsl(7)=8.01234, dobsu(7)=9.59502  dij(7)=1.09508,
id(8)=102,  jd(8)=103,  dobsl(8)=-4.03306, dobsu(8)=-2.45918  dij(8)=1.09508,
id(9)=134,  jd(9)=135,  dobsl(9)=0.592839, dobsu(9)=2.17374  dij(9)=1.09508,
id(10)=58,  jd(10)=59,  dobsl(10)=1.67114, dobsu(10)=3.24399  dij(10)=1.09508,
id(11)=218,  jd(11)=219,  dobsl(11)=3.84763, dobsu(11)=5.42615  dij(11)=1.09508,
id(12)=58,  jd(12)=60,  dobsl(12)=1.46232, dobsu(12)=3.02212  dij(12)=1.09508,
id(13)=218,  jd(13)=220,  dobsl(13)=-1.68195, dobsu(13)=-0.0989382  dij(13)=1.09508,
id(14)=117,  jd(14)=118,  dobsl(14)=2.977, dobsu(14)=4.51352  dij(14)=1.09508,
id(15)=207,  jd(15)=208,  dobsl(15)=-4.48926, dobsu(15)=-2.961  dij(15)=1.09508,
id(16)=45,  jd(16)=46,  dobsl(16)=-12.9515, dobsu(16)=-11.405  dij(16)=1.09508,
id(17)=205,  jd(17)=206,  dobsl(17)=-9.6864, dobsu(17)=-8.12092  dij(17)=1.09508,
id(18)=108,  jd(18)=109,  dobsl(18)=7.76458, dobsu(18)=9.31749  dij(18)=1.09508,
id(19)=12,  jd(19)=13,  dobsl(19)=-1.25309, dobsu(19)=0.289175  dij(19)=1.09508,
id(20)=75,  jd(20)=76,  dobsl(20)=-0.578705, dobsu(20)=0.964509  dij(20)=1.09508,
id(21)=172,  jd(21)=173,  dobsl(21)=-11.859, dobsu(21)=-10.3164  dij(21)=1.09508,
id(22)=178,  jd(22)=179,  dobsl(22)=-23.2, dobsu(22)=-15.3356  dij(22)=1.09508,
id(23)=204,  jd(23)=202,  dobsl(23)=5.19446, dobsu(23)=20.0358  dij(23)=1.09508,
id(24)=107,  jd(24)=108,  dobsl(24)=-14.5462, dobsu(24)=-2.90924  dij(24)=1.09508,
id(25)=74,  jd(25)=75,  dobsl(25)=-17.5444, dobsu(25)=-5.84814  dij(25)=1.09508,
id(26)=171,  jd(26)=172,  dobsl(26)=4.09635, dobsu(26)=15.8002  dij(26)=1.09508,
id(27)=44,  jd(27)=45,  dobsl(27)=3.12731, dobsu(27)=14.8547  dij(27)=1.09508,
id(28)=204,  jd(28)=205,  dobsl(28)=-9.004, dobsu(28)=2.74035  dij(28)=1.09508,
id(29)=47,  jd(29)=46,  dobsl(29)=-6.58304, dobsu(29)=-3.6894  dij(29)=1.09508,
id(30)=207,  jd(30)=206,  dobsl(30)=3.68342, dobsu(30)=6.63016  dij(30)=1.09508,
id(31)=116,  jd(31)=118,  dobsl(31)=-17.5986, dobsu(31)=-11.1404  dij(31)=1.09508,
id(32)=119,  jd(32)=118,  dobsl(32)=5.01124, dobsu(32)=11.4774  dij(32)=1.09508,
id(33)=74,  jd(33)=76,  dobsl(33)=-9.5251, dobsu(33)=-1.90502  dij(33)=1.09508,
id(34)=171,  jd(34)=173,  dobsl(34)=0.954514, dobsu(34)=8.59063  dij(34)=1.09508,
id(35)=44,  jd(35)=46,  dobsl(35)=-5.64447, dobsu(35)=1.63872  dij(35)=1.09508,
id(36)=204,  jd(36)=206,  dobsl(36)=-14.5597, dobsu(36)=-7.27984  dij(36)=1.09508,
id(37)=77,  jd(37)=76,  dobsl(37)=-4.89823, dobsu(37)=2.09924  dij(37)=1.09508,
id(38)=174,  jd(38)=173,  dobsl(38)=-21.4054, dobsu(38)=-14.4443  dij(38)=1.09508,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5'        G   1   6.386  -3.173   9.292
    2   2H5*    G   1          2H5'        G   1   5.249  -2.318  10.347
    3    H4*    G   1           H4'        G   1   6.626  -0.921   8.719
    4    H3*    G   1           H3'        G   1   4.199  -0.313   9.736
    5    H1*    G   1           H1'        G   1   4.721  -0.207   5.906
    6    H8     G   1           H8         G   1   2.428  -3.198   6.999
    7    H1     G   1           H1         G   1   3.717  -2.871   0.703
    8   1H2     G   1          H21         G   1   5.157  -1.208   0.321
    9   2H2     G   1          H22         G   1   5.640  -0.154   1.680
   10    H5T    G   1           H5T        G   1   4.595  -3.517   7.871
   11   1H2*    G   1          1H2'        G   1   2.874  -1.285   8.060
   12   2H2*    G   1          2H2'        G   1   2.990   0.362   7.388
   13   1H5*    C   2          1H5'        C   2   5.518   2.308   6.166
   14   2H5*    C   2          2H5'        C   2   5.315   4.025   6.565
   15    H4*    C   2           H4'        C   2   4.631   3.677   4.241
   16    H3*    C   2           H3'        C   2   2.801   4.757   6.179
   17    H1*    C   2           H1'        C   2   2.341   2.798   3.041
   18   1H4     C   2          H41         C   2  -0.270  -2.952   2.487
   19   2H4     C   2          H42         C   2  -0.497  -3.141   4.237
   20    H5     C   2           H5         C   2  -0.103  -1.277   5.783
   21    H6     C   2           H6         C   2   0.901   0.938   5.955
   22   1H2*    C   2          1H2'        C   2   1.337   2.956   5.920
   23   2H2*    C   2          2H2'        C   2   0.722   3.941   4.637
   24   1H5*    G   3          1H5'        G   3   2.152   4.852   1.709
   25   2H5*    G   3          2H5'        G   3   1.592   6.419   1.097
   26    H4*    G   3           H4'        G   3   0.543   4.550  -0.100
   27    H3*    G   3           H3'        G   3  -0.903   6.721   0.849
   28    H1*    G   3           H1'        G   3  -2.079   3.209   0.889
   29    H8     G   3           H8         G   3  -2.027   4.222   4.556
   30    H1     G   3           H1         G   3  -3.188  -2.009   3.453
   31   1H2     G   3          H21         G   3  -2.762  -2.365   1.168
   32   2H2     G   3          H22         G   3  -2.754  -0.960   0.125
   33   1H2*    G   3          1H2'        G   3  -1.666   5.542   2.797
   34   2H2*    G   3          2H2'        G   3  -3.031   5.274   1.679
   35   1H5*    A   4          1H5'        A   4  -2.471   3.319  -2.034
   36   2H5*    A   4          2H5'        A   4  -3.477   4.060  -3.287
   37    H4*    A   4           H4'        A   4  -4.100   1.694  -2.889
   38    H3*    A   4           H3'        A   4  -5.930   3.757  -3.154
   39    H1*    A   4           H1'        A   4  -6.166   0.915  -0.633
   40    H8     A   4           H8         A   4  -4.883   4.108   1.142
   41   1H6     A   4          H61         A   4  -5.556   0.582   6.225
   42   2H6     A   4          H62         A   4  -4.911   2.147   5.695
   43    H2     A   4           H2         A   4  -7.218  -1.590   2.993
   44   1H2*    A   4          1H2'        A   4  -6.328   3.969  -0.787
   45   2H2*    A   4          2H2'        A   4  -7.590   2.775  -1.202
   46   1H5*    A   5          1H5'        A   5  -6.948  -0.179  -6.550
   47   2H5*    A   5          2H5'        A   5  -6.173  -0.306  -4.964
   48    H4*    A   5           H4'        A   5  -4.770   0.968  -7.367
   49    H3*    A   5           H3'        A   5  -5.307  -1.763  -7.214
   50    H1*    A   5           H1'        A   5  -2.102  -0.273  -6.000
   51    H8     A   5           H8         A   5  -3.713  -1.759  -2.840
   52   1H6     A   5          H61         A   5   0.203   2.000   0.224
   53   2H6     A   5          H62         A   5  -1.129   0.880   0.481
   54    H2     A   5           H2         A   5   0.693   2.804  -3.981
   55   1H2*    A   5          1H2'        A   5  -4.441  -1.947  -4.977
   56   2H2*    A   5          2H2'        A   5  -3.036  -2.496  -5.941
   57   1H5*    G   6          1H5'        G   6  -0.947  -0.659  -7.932
   58   2H5*    G   6          2H5'        G   6  -0.155  -1.681  -9.141
   59    H4*    G   6           H4'        G   6   1.354  -1.299  -7.270
   60    H3*    G   6           H3'        G   6   0.716  -3.900  -8.186
   61    H1*    G   6           H1'        G   6   1.570  -2.712  -4.739
   62    H8     G   6           H8         G   6  -1.675  -4.695  -4.176
   63    H1     G   6           H1         G   6   0.861  -1.582   0.871
   64   1H2     G   6          H21         G   6   2.166   0.053   0.135
   65   2H2     G   6          H22         G   6   2.587   0.093  -1.582
   66   1H2*    G   6          1H2'        G   6  -0.516  -4.416  -6.214
   67   2H2*    G   6          2H2'        G   6   1.124  -4.937  -5.684
   68   1H5*    C   7          1H5'        C   7   4.805  -2.236  -7.742
   69   2H5*    C   7          2H5'        C   7   6.193  -3.242  -8.208
   70    H4*    C   7           H4'        C   7   6.849  -1.626  -6.461
   71    H3*    C   7           H3'        C   7   6.788  -4.534  -5.758
   72    H1*    C   7           H1'        C   7   6.031  -1.499  -3.395
   73   1H4     C   7          H41         C   7   1.462  -5.780  -1.147
   74   2H4     C   7          H42         C   7   2.150  -4.852   0.203
   75    H5     C   7           H5         C   7   2.346  -5.523  -3.395
   76    H6     C   7           H6         C   7   3.945  -4.257  -4.795
   77    H3T    C   7           H3T        C   7   8.876  -2.595  -5.594
   78   1H2*    C   7          1H2'        C   7   6.889  -4.246  -3.503
   79   2H2*    C   7          2H2'        C   7   7.880  -2.767  -3.685
  Start of MODEL    2
    1   1H5*    G   1          1H5'        G   1   5.068  -2.332  10.588
    2   2H5*    G   1          2H5'        G   1   4.027  -2.913   9.270
    3    H4*    G   1           H4'        G   1   6.399  -1.005   8.997
    4    H3*    G   1           H3'        G   1   3.975  -0.211   9.895
    5    H1*    G   1           H1'        G   1   4.585  -0.249   6.088
    6    H8     G   1           H8         G   1   2.240  -3.223   7.159
    7    H1     G   1           H1         G   1   3.715  -2.978   0.904
    8   1H2     G   1          H21         G   1   5.126  -1.287   0.529
    9   2H2     G   1          H22         G   1   5.565  -0.211   1.882
   10    H5T    G   1           H5T        G   1   6.085  -3.622   8.288
   11   1H2*    G   1          1H2'        G   1   2.657  -1.238   8.213
   12   2H2*    G   1          2H2'        G   1   2.820   0.391   7.502
   13   1H5*    C   2          1H5'        C   2   5.451   2.281   6.269
   14   2H5*    C   2          2H5'        C   2   5.259   4.008   6.623
   15    H4*    C   2           H4'        C   2   4.644   3.614   4.292
   16    H3*    C   2           H3'        C   2   2.766   4.769   6.142
   17    H1*    C   2           H1'        C   2   2.418   2.772   3.030
   18   1H4     C   2          H41         C   2  -0.217  -2.933   2.394
   19   2H4     C   2          H42         C   2  -0.495  -3.141   4.140
   20    H5     C   2           H5         C   2  -0.187  -1.253   5.699
   21    H6     C   2           H6         C   2   0.787   0.979   5.880
   22   1H2*    C   2          1H2'        C   2   1.259   2.998   5.841
   23   2H2*    C   2          2H2'        C   2   0.742   3.973   4.511
   24   1H5*    G   3          1H5'        G   3   2.269   4.736   1.652
   25   2H5*    G   3          2H5'        G   3   1.759   6.286   0.964
   26    H4*    G   3           H4'        G   3   0.677   4.423  -0.187
   27    H3*    G   3           H3'        G   3  -0.740   6.637   0.698
   28    H1*    G   3           H1'        G   3  -1.989   3.150   0.826
   29    H8     G   3           H8         G   3  -1.948   4.258   4.457
   30    H1     G   3           H1         G   3  -3.269  -1.964   3.496
   31   1H2     G   3          H21         G   3  -2.914  -2.402   1.222
   32   2H2     G   3          H22         G   3  -2.721  -1.034   0.143
   33   1H2*    G   3          1H2'        G   3  -1.534   5.527   2.670
   34   2H2*    G   3          2H2'        G   3  -2.901   5.260   1.555
   35   1H5*    A   4          1H5'        A   4  -2.434   3.147  -2.046
   36   2H5*    A   4          2H5'        A   4  -3.414   3.885  -3.317
   37    H4*    A   4           H4'        A   4  -4.134   1.566  -2.834
   38    H3*    A   4           H3'        A   4  -5.879   3.705  -3.154
   39    H1*    A   4           H1'        A   4  -6.225   0.946  -0.564
   40    H8     A   4           H8         A   4  -4.787   4.118   1.126
   41   1H6     A   4          H61         A   4  -5.533   0.751   6.289
   42   2H6     A   4          H62         A   4  -4.847   2.281   5.710
   43    H2     A   4           H2         A   4  -7.307  -1.444   3.136
   44   1H2*    A   4          1H2'        A   4  -6.243   3.999  -0.796
   45   2H2*    A   4          2H2'        A   4  -7.568   2.857  -1.176
   46   1H5*    A   5          1H5'        A   5  -7.078  -0.189  -6.490
   47   2H5*    A   5          2H5'        A   5  -6.315  -0.357  -4.899
   48    H4*    A   5           H4'        A   5  -4.836   0.873  -7.282
   49    H3*    A   5           H3'        A   5  -5.490  -1.863  -7.097
   50    H1*    A   5           H1'        A   5  -2.230  -0.385  -6.019
   51    H8     A   5           H8         A   5  -3.713  -1.891  -2.803
   52   1H6     A   5          H61         A   5   0.236   1.933   0.139
   53   2H6     A   5          H62         A   5  -1.082   0.811   0.440
   54    H2     A   5           H2         A   5   0.656   2.666  -4.089
   55   1H2*    A   5          1H2'        A   5  -4.528  -2.076  -4.918
   56   2H2*    A   5          2H2'        A   5  -3.160  -2.621  -5.938
   57   1H5*    G   6          1H5'        G   6  -1.244  -0.711  -8.099
   58   2H5*    G   6          2H5'        G   6  -0.431  -1.727  -9.300
   59    H4*    G   6           H4'        G   6   1.038  -1.118  -7.398
   60    H3*    G   6           H3'        G   6   0.519  -3.916  -8.168
   61    H1*    G   6           H1'        G   6   1.603  -2.083  -4.921
   62    H8     G   6           H8         G   6  -1.355  -4.652  -4.298
   63    H1     G   6           H1         G   6   0.982  -1.488   0.788
   64   1H2     G   6          H21         G   6   2.318   0.141   0.091
   65   2H2     G   6          H22         G   6   2.766   0.223  -1.620
   66   1H2*    G   6          1H2'        G   6   0.318  -4.629  -6.031
   67   2H2*    G   6          2H2'        G   6   2.054  -4.277  -5.820
   68   1H5*    C   7          1H5'        C   7   4.694  -1.747  -7.514
   69   2H5*    C   7          2H5'        C   7   6.050  -2.712  -8.129
   70    H4*    C   7           H4'        C   7   6.737  -1.488  -6.107
   71    H3*    C   7           H3'        C   7   6.406  -4.478  -5.766
   72    H1*    C   7           H1'        C   7   6.039  -1.558  -3.232
   73   1H4     C   7          H41         C   7   1.473  -5.883  -0.960
   74   2H4     C   7          H42         C   7   2.145  -4.952   0.392
   75    H5     C   7           H5         C   7   2.384  -5.646  -3.189
   76    H6     C   7           H6         C   7   3.991  -4.348  -4.590
   77    H3T    C   7           H3T        C   7   8.204  -3.806  -6.960
   78   1H2*    C   7          1H2'        C   7   6.772  -4.366  -3.545
   79   2H2*    C   7          2H2'        C   7   7.823  -2.921  -3.698
  Start of MODEL    3
    1   1H5*    G   1          1H5'        G   1   5.162  -2.058  10.743
    2   2H5*    G   1          2H5'        G   1   4.087  -2.674   9.466
    3    H4*    G   1           H4'        G   1   6.550  -0.907   9.072
    4    H3*    G   1           H3'        G   1   4.176   0.058   9.927
    5    H1*    G   1           H1'        G   1   4.725  -0.251   6.132
    6    H8     G   1           H8         G   1   2.332  -3.114   7.401
    7    H1     G   1           H1         G   1   3.664  -3.171   1.107
    8   1H2     G   1          H21         G   1   5.066  -1.495   0.627
    9   2H2     G   1          H22         G   1   5.529  -0.354   1.919
   10    H5T    G   1           H5T        G   1   6.105  -3.536   8.528
   11   1H2*    G   1          1H2'        G   1   2.790  -1.022   8.332
   12   2H2*    G   1          2H2'        G   1   3.009   0.552   7.517
   13   1H5*    C   2          1H5'        C   2   5.594   2.433   6.115
   14   2H5*    C   2          2H5'        C   2   5.418   4.161   6.484
   15    H4*    C   2           H4'        C   2   4.629   3.810   4.203
   16    H3*    C   2           H3'        C   2   2.828   4.827   6.207
   17    H1*    C   2           H1'        C   2   2.370   2.896   3.067
   18   1H4     C   2          H41         C   2  -0.119  -2.879   2.397
   19   2H4     C   2          H42         C   2  -0.368  -3.104   4.144
   20    H5     C   2           H5         C   2   0.001  -1.273   5.726
   21    H6     C   2           H6         C   2   1.006   0.936   5.959
   22   1H2*    C   2          1H2'        C   2   1.407   2.972   5.953
   23   2H2*    C   2          2H2'        C   2   0.719   3.952   4.733
   24   1H5*    G   3          1H5'        G   3   2.189   4.817   1.720
   25   2H5*    G   3          2H5'        G   3   1.616   6.373   1.098
   26    H4*    G   3           H4'        G   3   0.645   4.503  -0.155
   27    H3*    G   3           H3'        G   3  -0.862   6.639   0.780
   28    H1*    G   3           H1'        G   3  -2.001   3.113   0.758
   29    H8     G   3           H8         G   3  -1.942   4.104   4.443
   30    H1     G   3           H1         G   3  -3.158  -2.110   3.332
   31   1H2     G   3          H21         G   3  -2.872  -2.480   1.044
   32   2H2     G   3          H22         G   3  -2.705  -1.084  -0.003
   33   1H2*    G   3          1H2'        G   3  -1.652   5.439   2.689
   34   2H2*    G   3          2H2'        G   3  -2.987   5.167   1.540
   35   1H5*    A   4          1H5'        A   4  -2.454   3.215  -2.088
   36   2H5*    A   4          2H5'        A   4  -3.446   3.968  -3.343
   37    H4*    A   4           H4'        A   4  -4.138   1.631  -2.926
   38    H3*    A   4           H3'        A   4  -5.916   3.751  -3.166
   39    H1*    A   4           H1'        A   4  -6.193   0.898  -0.695
   40    H8     A   4           H8         A   4  -4.882   4.031   1.166
   41   1H6     A   4          H61         A   4  -5.493   0.343   6.137
   42   2H6     A   4          H62         A   4  -4.873   1.931   5.651
   43    H2     A   4           H2         A   4  -7.203  -1.721   2.844
   44   1H2*    A   4          1H2'        A   4  -6.275   3.956  -0.795
   45   2H2*    A   4          2H2'        A   4  -7.584   2.801  -1.215
   46   1H5*    A   5          1H5'        A   5  -7.075  -0.111  -6.580
   47   2H5*    A   5          2H5'        A   5  -6.291  -0.279  -4.999
   48    H4*    A   5           H4'        A   5  -4.869   0.984  -7.402
   49    H3*    A   5           H3'        A   5  -5.477  -1.746  -7.228
   50    H1*    A   5           H1'        A   5  -2.224  -0.271  -6.121
   51    H8     A   5           H8         A   5  -3.719  -1.817  -2.935
   52   1H6     A   5          H61         A   5   0.275   1.906   0.079
   53   2H6     A   5          H62         A   5  -1.045   0.775   0.356
   54    H2     A   5           H2         A   5   0.669   2.746  -4.134
   55   1H2*    A   5          1H2'        A   5  -4.526  -1.962  -5.045
   56   2H2*    A   5          2H2'        A   5  -3.152  -2.501  -6.062
   57   1H5*    G   6          1H5'        G   6  -1.239  -0.601  -8.225
   58   2H5*    G   6          2H5'        G   6  -0.364  -1.637  -9.361
   59    H4*    G   6           H4'        G   6   0.973  -0.962  -7.370
   60    H3*    G   6           H3'        G   6   0.464  -3.854  -7.948
   61    H1*    G   6           H1'        G   6   1.459  -1.623  -4.922
   62    H8     G   6           H8         G   6  -1.353  -4.364  -4.362
   63    H1     G   6           H1         G   6   1.187  -1.494   0.824
   64   1H2     G   6          H21         G   6   2.417   0.215   0.150
   65   2H2     G   6          H22         G   6   2.854   0.325  -1.561
   66   1H2*    G   6          1H2'        G   6   0.880  -4.459  -5.813
   67   2H2*    G   6          2H2'        G   6   2.413  -3.542  -5.795
   68   1H5*    C   7          1H5'        C   7   4.493  -1.715  -7.293
   69   2H5*    C   7          2H5'        C   7   5.891  -2.558  -7.982
   70    H4*    C   7           H4'        C   7   6.502  -1.673  -5.795
   71    H3*    C   7           H3'        C   7   6.062  -4.676  -5.779
   72    H1*    C   7           H1'        C   7   5.865  -1.943  -3.056
   73   1H4     C   7          H41         C   7   1.231  -6.052  -0.608
   74   2H4     C   7          H42         C   7   1.986  -5.118   0.699
   75    H5     C   7           H5         C   7   2.098  -5.883  -2.926
   76    H6     C   7           H6         C   7   3.693  -4.670  -4.349
   77    H3T    C   7           H3T        C   7   7.867  -3.974  -6.957
   78   1H2*    C   7          1H2'        C   7   6.500  -4.752  -3.547
   79   2H2*    C   7          2H2'        C   7   7.575  -3.332  -3.625
  Start of MODEL    4
    1   1H5*    G   1          1H5'        G   1   4.983  -2.019  10.891
    2   2H5*    G   1          2H5'        G   1   3.947  -2.711   9.620
    3    H4*    G   1           H4'        G   1   6.322  -0.830   9.200
    4    H3*    G   1           H3'        G   1   3.870   0.010  10.017
    5    H1*    G   1           H1'        G   1   4.583  -0.270   6.252
    6    H8     G   1           H8         G   1   2.213  -3.194   7.411
    7    H1     G   1           H1         G   1   3.742  -3.174   1.164
    8   1H2     G   1          H21         G   1   5.107  -1.458   0.732
    9   2H2     G   1          H22         G   1   5.515  -0.322   2.044
   10    H5T    G   1           H5T        G   1   6.009  -3.494   8.714
   11   1H2*    G   1          1H2'        G   1   2.587  -1.116   8.372
   12   2H2*    G   1          2H2'        G   1   2.775   0.467   7.566
   13   1H5*    C   2          1H5'        C   2   5.498   2.349   6.287
   14   2H5*    C   2          2H5'        C   2   5.309   4.080   6.619
   15    H4*    C   2           H4'        C   2   4.812   3.708   4.278
   16    H3*    C   2           H3'        C   2   2.865   4.870   6.017
   17    H1*    C   2           H1'        C   2   2.529   2.822   2.941
   18   1H4     C   2          H41         C   2  -0.079  -2.891   2.356
   19   2H4     C   2          H42         C   2  -0.366  -3.096   4.102
   20    H5     C   2           H5         C   2   0.004  -1.218   5.657
   21    H6     C   2           H6         C   2   1.001   1.005   5.835
   22   1H2*    C   2          1H2'        C   2   1.399   3.046   5.763
   23   2H2*    C   2          2H2'        C   2   0.859   3.999   4.412
   24   1H5*    G   3          1H5'        G   3   2.312   4.716   1.534
   25   2H5*    G   3          2H5'        G   3   1.784   6.253   0.834
   26    H4*    G   3           H4'        G   3   0.672   4.406  -0.278
   27    H3*    G   3           H3'        G   3  -0.750   6.583   0.697
   28    H1*    G   3           H1'        G   3  -1.914   3.082   0.767
   29    H8     G   3           H8         G   3  -1.817   4.087   4.429
   30    H1     G   3           H1         G   3  -3.179  -2.100   3.330
   31   1H2     G   3          H21         G   3  -2.928  -2.474   1.037
   32   2H2     G   3          H22         G   3  -2.692  -1.088  -0.007
   33   1H2*    G   3          1H2'        G   3  -1.471   5.412   2.660
   34   2H2*    G   3          2H2'        G   3  -2.861   5.142   1.578
   35   1H5*    A   4          1H5'        A   4  -2.470   3.167  -2.116
   36   2H5*    A   4          2H5'        A   4  -3.498   3.930  -3.332
   37    H4*    A   4           H4'        A   4  -4.163   1.581  -2.908
   38    H3*    A   4           H3'        A   4  -5.953   3.697  -3.115
   39    H1*    A   4           H1'        A   4  -6.176   0.850  -0.608
   40    H8     A   4           H8         A   4  -4.732   3.978   1.149
   41   1H6     A   4          H61         A   4  -5.396   0.472   6.234
   42   2H6     A   4          H62         A   4  -4.725   2.019   5.683
   43    H2     A   4           H2         A   4  -7.215  -1.638   3.047
   44   1H2*    A   4          1H2'        A   4  -6.251   3.911  -0.734
   45   2H2*    A   4          2H2'        A   4  -7.569   2.756  -1.108
   46   1H5*    A   5          1H5'        A   5  -7.150  -0.174  -6.482
   47   2H5*    A   5          2H5'        A   5  -6.327  -0.322  -4.918
   48    H4*    A   5           H4'        A   5  -4.999   0.983  -7.342
   49    H3*    A   5           H3'        A   5  -5.544  -1.758  -7.212
   50    H1*    A   5           H1'        A   5  -2.293  -0.271  -6.133
   51    H8     A   5           H8         A   5  -3.708  -1.861  -2.935
   52   1H6     A   5          H61         A   5   0.305   1.888   0.022
   53   2H6     A   5          H62         A   5  -0.997   0.745   0.324
   54    H2     A   5           H2         A   5   0.606   2.753  -4.188
   55   1H2*    A   5          1H2'        A   5  -4.566  -1.986  -5.035
   56   2H2*    A   5          2H2'        A   5  -3.207  -2.507  -6.079
   57   1H5*    G   6          1H5'        G   6  -1.313  -0.559  -8.158
   58   2H5*    G   6          2H5'        G   6  -0.470  -1.536  -9.366
   59    H4*    G   6           H4'        G   6   0.948  -0.982  -7.414
   60    H3*    G   6           H3'        G   6   0.421  -3.791  -8.195
   61    H1*    G   6           H1'        G   6   1.527  -1.868  -5.025
   62    H8     G   6           H8         G   6  -1.395  -4.458  -4.356
   63    H1     G   6           H1         G   6   1.185  -1.469   0.728
   64   1H2     G   6          H21         G   6   2.459   0.192   0.016
   65   2H2     G   6          H22         G   6   2.860   0.286  -1.709
   66   1H2*    G   6          1H2'        G   6   0.420  -4.517  -6.056
   67   2H2*    G   6          2H2'        G   6   2.122  -4.007  -5.907
   68   1H5*    C   7          1H5'        C   7   4.435  -1.596  -7.262
   69   2H5*    C   7          2H5'        C   7   5.842  -2.428  -7.947
   70    H4*    C   7           H4'        C   7   6.459  -1.470  -5.796
   71    H3*    C   7           H3'        C   7   6.086  -4.482  -5.665
   72    H1*    C   7           H1'        C   7   5.810  -1.685  -3.032
   73   1H4     C   7          H41         C   7   1.339  -6.014  -0.629
   74   2H4     C   7          H42         C   7   2.086  -5.109   0.701
   75    H5     C   7           H5         C   7   2.164  -5.761  -2.913
   76    H6     C   7           H6         C   7   3.742  -4.469  -4.344
   77    H3T    C   7           H3T        C   7   7.842  -3.776  -6.926
   78   1H2*    C   7          1H2'        C   7   6.615  -4.458  -3.448
   79   2H2*    C   7          2H2'        C   7   7.598  -2.978  -3.615
  Start of MODEL    5
    1   1H5*    G   1          1H5'        G   1   5.324  -2.481  10.416
    2   2H5*    G   1          2H5'        G   1   4.272  -3.080   9.112
    3    H4*    G   1           H4'        G   1   6.540  -1.051   8.824
    4    H3*    G   1           H3'        G   1   4.109  -0.409   9.829
    5    H1*    G   1           H1'        G   1   4.613  -0.275   6.007
    6    H8     G   1           H8         G   1   2.407  -3.364   7.024
    7    H1     G   1           H1         G   1   3.704  -2.836   0.745
    8   1H2     G   1          H21         G   1   5.096  -1.121   0.408
    9   2H2     G   1          H22         G   1   5.540  -0.080   1.787
   10    H5T    G   1           H5T        G   1   6.326  -3.653   8.047
   11   1H2*    G   1          1H2'        G   1   2.788  -1.423   8.147
   12   2H2*    G   1          2H2'        G   1   2.862   0.238   7.499
   13   1H5*    C   2          1H5'        C   2   5.451   2.217   6.277
   14   2H5*    C   2          2H5'        C   2   5.235   3.931   6.681
   15    H4*    C   2           H4'        C   2   4.648   3.578   4.335
   16    H3*    C   2           H3'        C   2   2.769   4.704   6.191
   17    H1*    C   2           H1'        C   2   2.374   2.731   3.060
   18   1H4     C   2          H41         C   2  -0.304  -2.980   2.473
   19   2H4     C   2          H42         C   2  -0.526  -3.186   4.226
   20    H5     C   2           H5         C   2  -0.120  -1.328   5.790
   21    H6     C   2           H6         C   2   0.893   0.887   5.964
   22   1H2*    C   2          1H2'        C   2   1.277   2.925   5.901
   23   2H2*    C   2          2H2'        C   2   0.729   3.912   4.581
   24   1H5*    G   3          1H5'        G   3   2.244   4.781   1.705
   25   2H5*    G   3          2H5'        G   3   1.730   6.346   1.066
   26    H4*    G   3           H4'        G   3   0.663   4.488  -0.134
   27    H3*    G   3           H3'        G   3  -0.758   6.699   0.752
   28    H1*    G   3           H1'        G   3  -2.013   3.219   0.839
   29    H8     G   3           H8         G   3  -1.957   4.296   4.492
   30    H1     G   3           H1         G   3  -3.218  -1.937   3.511
   31   1H2     G   3          H21         G   3  -2.823  -2.353   1.233
   32   2H2     G   3          H22         G   3  -2.765  -0.971   0.162
   33   1H2*    G   3          1H2'        G   3  -1.565   5.576   2.708
   34   2H2*    G   3          2H2'        G   3  -2.926   5.321   1.584
   35   1H5*    A   4          1H5'        A   4  -2.402   3.279  -2.091
   36   2H5*    A   4          2H5'        A   4  -3.374   4.034  -3.359
   37    H4*    A   4           H4'        A   4  -4.070   1.690  -2.926
   38    H3*    A   4           H3'        A   4  -5.846   3.807  -3.240
   39    H1*    A   4           H1'        A   4  -6.173   1.018  -0.679
   40    H8     A   4           H8         A   4  -4.799   4.191   1.061
   41   1H6     A   4          H61         A   4  -5.559   0.741   6.179
   42   2H6     A   4          H62         A   4  -4.882   2.286   5.631
   43    H2     A   4           H2         A   4  -7.271  -1.424   2.968
   44   1H2*    A   4          1H2'        A   4  -6.233   4.067  -0.880
   45   2H2*    A   4          2H2'        A   4  -7.539   2.910  -1.282
   46   1H5*    A   5          1H5'        A   5  -7.039  -0.212  -6.528
   47   2H5*    A   5          2H5'        A   5  -6.272  -0.322  -4.933
   48    H4*    A   5           H4'        A   5  -4.791   0.776  -7.376
   49    H3*    A   5           H3'        A   5  -5.478  -1.930  -7.080
   50    H1*    A   5           H1'        A   5  -2.198  -0.505  -5.985
   51    H8     A   5           H8         A   5  -3.794  -1.821  -2.752
   52   1H6     A   5          H61         A   5   0.194   1.991   0.139
   53   2H6     A   5          H62         A   5  -1.145   0.892   0.445
   54    H2     A   5           H2         A   5   0.667   2.627  -4.105
   55   1H2*    A   5          1H2'        A   5  -4.579  -2.045  -4.858
   56   2H2*    A   5          2H2'        A   5  -3.207  -2.691  -5.811
   57   1H5*    G   6          1H5'        G   6  -1.177  -0.838  -7.986
   58   2H5*    G   6          2H5'        G   6  -0.380  -1.894  -9.164
   59    H4*    G   6           H4'        G   6   1.151  -1.249  -7.350
   60    H3*    G   6           H3'        G   6   0.746  -3.921  -8.185
   61    H1*    G   6           H1'        G   6   1.549  -2.585  -4.762
   62    H8     G   6           H8         G   6  -1.666  -4.697  -4.198
   63    H1     G   6           H1         G   6   0.834  -1.588   0.863
   64   1H2     G   6          H21         G   6   2.150   0.044   0.138
   65   2H2     G   6          H22         G   6   2.580   0.094  -1.576
   66   1H2*    G   6          1H2'        G   6  -0.364  -4.530  -6.177
   67   2H2*    G   6          2H2'        G   6   1.337  -4.850  -5.678
   68   1H5*    C   7          1H5'        C   7   4.763  -1.907  -7.676
   69   2H5*    C   7          2H5'        C   7   6.201  -2.803  -8.207
   70    H4*    C   7           H4'        C   7   6.805  -1.316  -6.330
   71    H3*    C   7           H3'        C   7   6.734  -4.272  -5.734
   72    H1*    C   7           H1'        C   7   5.963  -1.285  -3.335
   73   1H4     C   7          H41         C   7   1.542  -5.773  -1.168
   74   2H4     C   7          H42         C   7   2.200  -4.854   0.199
   75    H5     C   7           H5         C   7   2.412  -5.442  -3.399
   76    H6     C   7           H6         C   7   3.961  -4.085  -4.787
   77    H3T    C   7           H3T        C   7   8.539  -3.483  -6.829
   78   1H2*    C   7          1H2'        C   7   6.882  -4.015  -3.499
   79   2H2*    C   7          2H2'        C   7   7.853  -2.510  -3.665
  Start of MODEL    6
    1   1H5*    G   1          1H5'        G   1   5.023  -2.196  10.596
    2   2H5*    G   1          2H5'        G   1   3.975  -2.776   9.286
    3    H4*    G   1           H4'        G   1   6.433  -0.987   8.988
    4    H3*    G   1           H3'        G   1   4.033  -0.069   9.820
    5    H1*    G   1           H1'        G   1   4.647  -0.291   6.008
    6    H8     G   1           H8         G   1   2.240  -3.166   7.234
    7    H1     G   1           H1         G   1   3.606  -3.159   0.952
    8   1H2     G   1          H21         G   1   4.992  -1.463   0.487
    9   2H2     G   1          H22         G   1   5.468  -0.344   1.795
   10    H5T    G   1           H5T        G   1   6.012  -3.614   8.356
   11   1H2*    G   1          1H2'        G   1   2.680  -1.092   8.164
   12   2H2*    G   1          2H2'        G   1   2.935   0.497   7.391
   13   1H5*    C   2          1H5'        C   2   5.506   2.450   6.145
   14   2H5*    C   2          2H5'        C   2   5.304   4.168   6.544
   15    H4*    C   2           H4'        C   2   4.568   3.816   4.238
   16    H3*    C   2           H3'        C   2   2.742   4.864   6.217
   17    H1*    C   2           H1'        C   2   2.315   2.943   3.073
   18   1H4     C   2          H41         C   2  -0.091  -2.865   2.391
   19   2H4     C   2          H42         C   2  -0.340  -3.105   4.134
   20    H5     C   2           H5         C   2  -0.066  -1.232   5.724
   21    H6     C   2           H6         C   2   0.838   1.028   5.926
   22   1H2*    C   2          1H2'        C   2   1.288   3.045   5.938
   23   2H2*    C   2          2H2'        C   2   0.668   4.033   4.661
   24   1H5*    G   3          1H5'        G   3   2.114   4.939   1.737
   25   2H5*    G   3          2H5'        G   3   1.539   6.496   1.119
   26    H4*    G   3           H4'        G   3   0.540   4.624  -0.106
   27    H3*    G   3           H3'        G   3  -0.966   6.756   0.849
   28    H1*    G   3           H1'        G   3  -2.083   3.212   0.844
   29    H8     G   3           H8         G   3  -2.122   4.228   4.512
   30    H1     G   3           H1         G   3  -3.078  -2.031   3.413
   31   1H2     G   3          H21         G   3  -2.692  -2.397   1.129
   32   2H2     G   3          H22         G   3  -2.630  -0.998   0.079
   33   1H2*    G   3          1H2'        G   3  -1.730   5.550   2.766
   34   2H2*    G   3          2H2'        G   3  -3.075   5.263   1.629
   35   1H5*    A   4          1H5'        A   4  -2.461   3.300  -2.001
   36   2H5*    A   4          2H5'        A   4  -3.473   4.013  -3.262
   37    H4*    A   4           H4'        A   4  -4.068   1.642  -2.831
   38    H3*    A   4           H3'        A   4  -5.918   3.696  -3.115
   39    H1*    A   4           H1'        A   4  -6.131   0.875  -0.578
   40    H8     A   4           H8         A   4  -4.984   4.135   1.205
   41   1H6     A   4          H61         A   4  -5.447   0.547   6.266
   42   2H6     A   4          H62         A   4  -4.891   2.147   5.744
   43    H2     A   4           H2         A   4  -6.943  -1.721   3.018
   44   1H2*    A   4          1H2'        A   4  -6.328   3.924  -0.762
   45   2H2*    A   4          2H2'        A   4  -7.579   2.704  -1.174
   46   1H5*    A   5          1H5'        A   5  -6.979  -0.217  -6.526
   47   2H5*    A   5          2H5'        A   5  -6.189  -0.369  -4.945
   48    H4*    A   5           H4'        A   5  -4.806   0.922  -7.350
   49    H3*    A   5           H3'        A   5  -5.358  -1.818  -7.173
   50    H1*    A   5           H1'        A   5  -2.120  -0.282  -6.073
   51    H8     A   5           H8         A   5  -3.626  -1.813  -2.880
   52   1H6     A   5          H61         A   5   0.232   2.053   0.133
   53   2H6     A   5          H62         A   5  -1.069   0.905   0.412
   54    H2     A   5           H2         A   5   0.696   2.805  -4.086
   55   1H2*    A   5          1H2'        A   5  -4.386  -2.019  -4.994
   56   2H2*    A   5          2H2'        A   5  -3.007  -2.527  -6.019
   57   1H5*    G   6          1H5'        G   6  -1.114  -0.666  -8.212
   58   2H5*    G   6          2H5'        G   6  -0.266  -1.716  -9.359
   59    H4*    G   6           H4'        G   6   1.120  -1.071  -7.396
   60    H3*    G   6           H3'        G   6   0.500  -3.967  -7.879
   61    H1*    G   6           H1'        G   6   1.583  -1.692  -4.907
   62    H8     G   6           H8         G   6  -1.120  -4.553  -4.347
   63    H1     G   6           H1         G   6   1.049  -1.374   0.810
   64   1H2     G   6          H21         G   6   2.358   0.297   0.142
   65   2H2     G   6          H22         G   6   2.827   0.385  -1.565
   66   1H2*    G   6          1H2'        G   6   1.069  -4.534  -5.764
   67   2H2*    G   6          2H2'        G   6   2.556  -3.551  -5.818
   68   1H5*    C   7          1H5'        C   7   4.531  -1.892  -7.471
   69   2H5*    C   7          2H5'        C   7   5.941  -2.752  -8.112
   70    H4*    C   7           H4'        C   7   6.505  -1.730  -5.952
   71    H3*    C   7           H3'        C   7   6.193  -4.745  -5.841
   72    H1*    C   7           H1'        C   7   5.825  -1.940  -3.203
   73   1H4     C   7          H41         C   7   1.252  -6.127  -0.767
   74   2H4     C   7          H42         C   7   1.938  -5.127   0.532
   75    H5     C   7           H5         C   7   2.221  -6.032  -3.051
   76    H6     C   7           H6         C   7   3.847  -4.824  -4.455
   77    H3T    C   7           H3T        C   7   7.987  -4.007  -7.001
   78   1H2*    C   7          1H2'        C   7   6.610  -4.730  -3.589
   79   2H2*    C   7          2H2'        C   7   7.598  -3.255  -3.707
  Start of MODEL    7
    1   1H5*    G   1          1H5'        G   1   5.007  -2.208  10.674
    2   2H5*    G   1          2H5'        G   1   3.951  -2.799   9.372
    3    H4*    G   1           H4'        G   1   6.393  -0.996   9.044
    4    H3*    G   1           H3'        G   1   3.996  -0.080   9.890
    5    H1*    G   1           H1'        G   1   4.612  -0.299   6.097
    6    H8     G   1           H8         G   1   2.210  -3.197   7.266
    7    H1     G   1           H1         G   1   3.645  -3.124   0.997
    8   1H2     G   1          H21         G   1   5.032  -1.422   0.562
    9   2H2     G   1          H22         G   1   5.482  -0.313   1.886
   10    H5T    G   1           H5T        G   1   5.990  -3.622   8.436
   11   1H2*    G   1          1H2'        G   1   2.645  -1.134   8.248
   12   2H2*    G   1          2H2'        G   1   2.869   0.459   7.470
   13   1H5*    C   2          1H5'        C   2   5.493   2.356   6.163
   14   2H5*    C   2          2H5'        C   2   5.311   4.079   6.543
   15    H4*    C   2           H4'        C   2   4.597   3.726   4.225
   16    H3*    C   2           H3'        C   2   2.773   4.807   6.177
   17    H1*    C   2           H1'        C   2   2.341   2.866   3.041
   18   1H4     C   2          H41         C   2  -0.139  -2.907   2.361
   19   2H4     C   2          H42         C   2  -0.392  -3.140   4.108
   20    H5     C   2           H5         C   2  -0.112  -1.266   5.686
   21    H6     C   2           H6         C   2   0.819   0.979   5.896
   22   1H2*    C   2          1H2'        C   2   1.308   2.993   5.904
   23   2H2*    C   2          2H2'        C   2   0.696   3.987   4.629
   24   1H5*    G   3          1H5'        G   3   2.201   4.837   1.688
   25   2H5*    G   3          2H5'        G   3   1.656   6.392   1.048
   26    H4*    G   3           H4'        G   3   0.647   4.516  -0.172
   27    H3*    G   3           H3'        G   3  -0.823   6.694   0.715
   28    H1*    G   3           H1'        G   3  -2.022   3.177   0.768
   29    H8     G   3           H8         G   3  -2.044   4.263   4.428
   30    H1     G   3           H1         G   3  -3.135  -1.992   3.445
   31   1H2     G   3          H21         G   3  -2.791  -2.413   1.165
   32   2H2     G   3          H22         G   3  -2.657  -1.040   0.091
   33   1H2*    G   3          1H2'        G   3  -1.639   5.544   2.647
   34   2H2*    G   3          2H2'        G   3  -2.979   5.267   1.495
   35   1H5*    A   4          1H5'        A   4  -2.427   3.210  -2.037
   36   2H5*    A   4          2H5'        A   4  -3.422   3.901  -3.322
   37    H4*    A   4           H4'        A   4  -4.091   1.576  -2.794
   38    H3*    A   4           H3'        A   4  -5.894   3.666  -3.138
   39    H1*    A   4           H1'        A   4  -6.148   0.933  -0.539
   40    H8     A   4           H8         A   4  -4.925   4.180   1.222
   41   1H6     A   4          H61         A   4  -5.459   0.630   6.297
   42   2H6     A   4          H62         A   4  -4.877   2.219   5.766
   43    H2     A   4           H2         A   4  -7.030  -1.611   3.068
   44   1H2*    A   4          1H2'        A   4  -6.252   3.983  -0.777
   45   2H2*    A   4          2H2'        A   4  -7.554   2.803  -1.147
   46   1H5*    A   5          1H5'        A   5  -7.050  -0.248  -6.450
   47   2H5*    A   5          2H5'        A   5  -6.244  -0.392  -4.880
   48    H4*    A   5           H4'        A   5  -4.867   0.888  -7.291
   49    H3*    A   5           H3'        A   5  -5.441  -1.850  -7.132
   50    H1*    A   5           H1'        A   5  -2.191  -0.344  -6.059
   51    H8     A   5           H8         A   5  -3.661  -1.875  -2.850
   52   1H6     A   5          H61         A   5   0.260   1.971   0.110
   53   2H6     A   5          H62         A   5  -1.058   0.840   0.405
   54    H2     A   5           H2         A   5   0.679   2.712  -4.113
   55   1H2*    A   5          1H2'        A   5  -4.460  -2.071  -4.962
   56   2H2*    A   5          2H2'        A   5  -3.094  -2.586  -6.000
   57   1H5*    G   6          1H5'        G   6  -1.216  -0.653  -8.157
   58   2H5*    G   6          2H5'        G   6  -0.376  -1.661  -9.348
   59    H4*    G   6           H4'        G   6   1.047  -1.045  -7.404
   60    H3*    G   6           H3'        G   6   0.496  -3.898  -8.068
   61    H1*    G   6           H1'        G   6   1.600  -1.837  -4.948
   62    H8     G   6           H8         G   6  -1.178  -4.611  -4.366
   63    H1     G   6           H1         G   6   1.054  -1.449   0.780
   64   1H2     G   6          H21         G   6   2.358   0.205   0.115
   65   2H2     G   6          H22         G   6   2.824   0.301  -1.591
   66   1H2*    G   6          1H2'        G   6   0.751  -4.580  -5.939
   67   2H2*    G   6          2H2'        G   6   2.376  -3.849  -5.874
   68   1H5*    C   7          1H5'        C   7   4.518  -1.706  -7.416
   69   2H5*    C   7          2H5'        C   7   5.932  -2.543  -8.080
   70    H4*    C   7           H4'        C   7   6.513  -1.531  -5.922
   71    H3*    C   7           H3'        C   7   6.228  -4.554  -5.821
   72    H1*    C   7           H1'        C   7   5.862  -1.771  -3.163
   73   1H4     C   7          H41         C   7   1.349  -6.059  -0.783
   74   2H4     C   7          H42         C   7   2.033  -5.093   0.541
   75    H5     C   7           H5         C   7   2.289  -5.904  -3.047
   76    H6     C   7           H6         C   7   3.885  -4.645  -4.454
   77    H3T    C   7           H3T        C   7   7.994  -3.779  -7.013
   78   1H2*    C   7          1H2'        C   7   6.671  -4.547  -3.583
   79   2H2*    C   7          2H2'        C   7   7.657  -3.066  -3.702
  Start of MODEL    8
    1   1H5*    G   1          1H5'        G   1   4.882  -2.074  10.918
    2   2H5*    G   1          2H5'        G   1   3.861  -2.860   9.693
    3    H4*    G   1           H4'        G   1   6.115  -0.865   9.145
    4    H3*    G   1           H3'        G   1   3.591  -0.182   9.994
    5    H1*    G   1           H1'        G   1   4.403  -0.430   6.250
    6    H8     G   1           H8         G   1   2.129  -3.446   7.352
    7    H1     G   1           H1         G   1   3.684  -3.231   1.109
    8   1H2     G   1          H21         G   1   4.985  -1.452   0.728
    9   2H2     G   1          H22         G   1   5.350  -0.339   2.076
   10    H5T    G   1           H5T        G   1   5.952  -3.556   8.763
   11   1H2*    G   1          1H2'        G   1   2.381  -1.329   8.323
   12   2H2*    G   1          2H2'        G   1   2.544   0.257   7.513
   13   1H5*    C   2          1H5'        C   2   5.349   2.354   6.408
   14   2H5*    C   2          2H5'        C   2   5.066   4.057   6.809
   15    H4*    C   2           H4'        C   2   4.856   3.756   4.410
   16    H3*    C   2           H3'        C   2   2.784   4.919   5.962
   17    H1*    C   2           H1'        C   2   2.544   2.850   2.865
   18   1H4     C   2          H41         C   2  -0.018  -2.865   2.319
   19   2H4     C   2          H42         C   2  -0.271  -3.081   4.070
   20    H5     C   2           H5         C   2   0.086  -1.190   5.622
   21    H6     C   2           H6         C   2   1.060   1.046   5.776
   22   1H2*    C   2          1H2'        C   2   1.344   3.108   5.665
   23   2H2*    C   2          2H2'        C   2   0.881   4.041   4.234
   24   1H5*    G   3          1H5'        G   3   2.346   4.835   1.470
   25   2H5*    G   3          2H5'        G   3   1.806   6.371   0.772
   26    H4*    G   3           H4'        G   3   0.686   4.506  -0.311
   27    H3*    G   3           H3'        G   3  -0.735   6.684   0.654
   28    H1*    G   3           H1'        G   3  -1.872   3.175   0.759
   29    H8     G   3           H8         G   3  -1.835   4.208   4.448
   30    H1     G   3           H1         G   3  -3.049  -2.009   3.347
   31   1H2     G   3          H21         G   3  -2.763  -2.398   1.076
   32   2H2     G   3          H22         G   3  -2.568  -1.019   0.014
   33   1H2*    G   3          1H2'        G   3  -1.439   5.530   2.632
   34   2H2*    G   3          2H2'        G   3  -2.834   5.236   1.552
   35   1H5*    A   4          1H5'        A   4  -2.424   3.269  -2.142
   36   2H5*    A   4          2H5'        A   4  -3.517   3.967  -3.343
   37    H4*    A   4           H4'        A   4  -4.074   1.593  -2.812
   38    H3*    A   4           H3'        A   4  -5.956   3.617  -3.065
   39    H1*    A   4           H1'        A   4  -6.003   0.875  -0.473
   40    H8     A   4           H8         A   4  -4.787   4.145   1.252
   41   1H6     A   4          H61         A   4  -5.289   0.635   6.362
   42   2H6     A   4          H62         A   4  -4.694   2.213   5.812
   43    H2     A   4           H2         A   4  -6.874  -1.631   3.176
   44   1H2*    A   4          1H2'        A   4  -6.214   3.922  -0.686
   45   2H2*    A   4          2H2'        A   4  -7.494   2.703  -0.996
   46   1H5*    A   5          1H5'        A   5  -7.147  -0.455  -6.234
   47   2H5*    A   5          2H5'        A   5  -6.214  -0.482  -4.727
   48    H4*    A   5           H4'        A   5  -5.148   0.761  -7.297
   49    H3*    A   5           H3'        A   5  -5.533  -1.972  -7.051
   50    H1*    A   5           H1'        A   5  -2.266  -0.365  -6.122
   51    H8     A   5           H8         A   5  -3.633  -1.857  -2.866
   52   1H6     A   5          H61         A   5   0.329   2.034  -0.031
   53   2H6     A   5          H62         A   5  -0.950   0.873   0.295
   54    H2     A   5           H2         A   5   0.594   2.799  -4.274
   55   1H2*    A   5          1H2'        A   5  -4.467  -2.098  -4.916
   56   2H2*    A   5          2H2'        A   5  -3.126  -2.603  -5.987
   57   1H5*    G   6          1H5'        G   6  -1.388  -0.692  -8.191
   58   2H5*    G   6          2H5'        G   6  -0.565  -1.680  -9.410
   59    H4*    G   6           H4'        G   6   0.916  -1.034  -7.536
   60    H3*    G   6           H3'        G   6   0.457  -3.851  -8.280
   61    H1*    G   6           H1'        G   6   1.596  -1.943  -5.118
   62    H8     G   6           H8         G   6  -1.299  -4.537  -4.355
   63    H1     G   6           H1         G   6   1.203  -1.374   0.653
   64   1H2     G   6          H21         G   6   2.450   0.283  -0.082
   65   2H2     G   6          H22         G   6   2.832   0.391  -1.812
   66   1H2*    G   6          1H2'        G   6   0.346  -4.544  -6.125
   67   2H2*    G   6          2H2'        G   6   2.078  -4.142  -5.975
   68   1H5*    C   7          1H5'        C   7   4.382  -1.547  -7.331
   69   2H5*    C   7          2H5'        C   7   5.837  -2.339  -7.962
   70    H4*    C   7           H4'        C   7   6.345  -1.272  -5.818
   71    H3*    C   7           H3'        C   7   6.170  -4.298  -5.635
   72    H1*    C   7           H1'        C   7   5.621  -1.509  -3.041
   73   1H4     C   7          H41         C   7   1.370  -6.087  -0.775
   74   2H4     C   7          H42         C   7   2.079  -5.187   0.580
   75    H5     C   7           H5         C   7   2.241  -5.804  -3.014
   76    H6     C   7           H6         C   7   3.795  -4.417  -4.422
   77    H3T    C   7           H3T        C   7   7.886  -3.521  -6.900
   78   1H2*    C   7          1H2'        C   7   6.756  -4.156  -3.395
   79   2H2*    C   7          2H2'        C   7   7.541  -2.577  -3.639
  Start of MODEL    9
    1   1H5*    G   1          1H5'        G   1   5.073  -2.323  10.531
    2   2H5*    G   1          2H5'        G   1   4.049  -2.882   9.190
    3    H4*    G   1           H4'        G   1   6.392  -0.927   8.993
    4    H3*    G   1           H3'        G   1   3.955  -0.198   9.899
    5    H1*    G   1           H1'        G   1   4.517  -0.182   6.052
    6    H8     G   1           H8         G   1   2.232  -3.167   7.207
    7    H1     G   1           H1         G   1   3.677  -3.080   0.943
    8   1H2     G   1          H21         G   1   5.060  -1.381   0.511
    9   2H2     G   1          H22         G   1   5.509  -0.266   1.828
   10    H5T    G   1           H5T        G   1   6.118  -3.529   8.200
   11   1H2*    G   1          1H2'        G   1   2.639  -1.182   8.209
   12   2H2*    G   1          2H2'        G   1   2.802   0.450   7.513
   13   1H5*    C   2          1H5'        C   2   5.432   2.370   6.360
   14   2H5*    C   2          2H5'        C   2   5.216   4.092   6.723
   15    H4*    C   2           H4'        C   2   4.667   3.710   4.382
   16    H3*    C   2           H3'        C   2   2.743   4.851   6.184
   17    H1*    C   2           H1'        C   2   2.426   2.846   3.081
   18   1H4     C   2          H41         C   2  -0.159  -2.874   2.408
   19   2H4     C   2          H42         C   2  -0.453  -3.094   4.148
   20    H5     C   2           H5         C   2  -0.147  -1.216   5.727
   21    H6     C   2           H6         C   2   0.828   1.014   5.929
   22   1H2*    C   2          1H2'        C   2   1.261   3.044   5.890
   23   2H2*    C   2          2H2'        C   2   0.738   4.014   4.546
   24   1H5*    G   3          1H5'        G   3   2.257   4.769   1.683
   25   2H5*    G   3          2H5'        G   3   1.744   6.316   0.988
   26    H4*    G   3           H4'        G   3   0.681   4.449  -0.172
   27    H3*    G   3           H3'        G   3  -0.759   6.646   0.721
   28    H1*    G   3           H1'        G   3  -1.967   3.146   0.798
   29    H8     G   3           H8         G   3  -1.975   4.230   4.440
   30    H1     G   3           H1         G   3  -3.240  -1.995   3.454
   31   1H2     G   3          H21         G   3  -2.914  -2.423   1.181
   32   2H2     G   3          H22         G   3  -2.690  -1.058   0.107
   33   1H2*    G   3          1H2'        G   3  -1.563   5.510   2.668
   34   2H2*    G   3          2H2'        G   3  -2.911   5.238   1.537
   35   1H5*    A   4          1H5'        A   4  -2.410   3.164  -2.041
   36   2H5*    A   4          2H5'        A   4  -3.397   3.891  -3.311
   37    H4*    A   4           H4'        A   4  -4.102   1.576  -2.833
   38    H3*    A   4           H3'        A   4  -5.866   3.697  -3.140
   39    H1*    A   4           H1'        A   4  -6.178   0.921  -0.577
   40    H8     A   4           H8         A   4  -4.818   4.098   1.187
   41   1H6     A   4          H61         A   4  -5.558   0.613   6.274
   42   2H6     A   4          H62         A   4  -4.896   2.164   5.736
   43    H2     A   4           H2         A   4  -7.231  -1.563   3.045
   44   1H2*    A   4          1H2'        A   4  -6.221   3.979  -0.774
   45   2H2*    A   4          2H2'        A   4  -7.542   2.829  -1.159
   46   1H5*    A   5          1H5'        A   5  -7.052  -0.208  -6.478
   47   2H5*    A   5          2H5'        A   5  -6.265  -0.361  -4.895
   48    H4*    A   5           H4'        A   5  -4.847   0.890  -7.303
   49    H3*    A   5           H3'        A   5  -5.460  -1.850  -7.115
   50    H1*    A   5           H1'        A   5  -2.197  -0.360  -6.041
   51    H8     A   5           H8         A   5  -3.695  -1.869  -2.829
   52   1H6     A   5          H61         A   5   0.292   1.904   0.133
   53   2H6     A   5          H62         A   5  -1.045   0.797   0.422
   54    H2     A   5           H2         A   5   0.720   2.648  -4.096
   55   1H2*    A   5          1H2'        A   5  -4.488  -2.058  -4.944
   56   2H2*    A   5          2H2'        A   5  -3.119  -2.594  -5.970
   57   1H5*    G   6          1H5'        G   6  -1.227  -0.734  -8.249
   58   2H5*    G   6          2H5'        G   6  -0.373  -1.818  -9.362
   59    H4*    G   6           H4'        G   6   0.980  -1.068  -7.393
   60    H3*    G   6           H3'        G   6   0.487  -3.997  -7.842
   61    H1*    G   6           H1'        G   6   1.461  -1.617  -4.925
   62    H8     G   6           H8         G   6  -1.289  -4.418  -4.349
   63    H1     G   6           H1         G   6   1.111  -1.457   0.836
   64   1H2     G   6          H21         G   6   2.429   0.199   0.171
   65   2H2     G   6          H22         G   6   2.886   0.297  -1.540
   66   1H2*    G   6          1H2'        G   6   1.076  -4.500  -5.717
   67   2H2*    G   6          2H2'        G   6   2.520  -3.450  -5.789
   68   1H5*    C   7          1H5'        C   7   4.474  -1.744  -7.477
   69   2H5*    C   7          2H5'        C   7   5.879  -2.588  -8.152
   70    H4*    C   7           H4'        C   7   6.498  -1.516  -6.032
   71    H3*    C   7           H3'        C   7   6.264  -4.539  -5.877
   72    H1*    C   7           H1'        C   7   5.894  -1.742  -3.228
   73   1H4     C   7          H41         C   7   1.390  -6.045  -0.825
   74   2H4     C   7          H42         C   7   2.066  -5.064   0.491
   75    H5     C   7           H5         C   7   2.340  -5.890  -3.096
   76    H6     C   7           H6         C   7   3.940  -4.634  -4.500
   77    H3T    C   7           H3T        C   7   8.013  -3.737  -7.086
   78   1H2*    C   7          1H2'        C   7   6.681  -4.523  -3.659
   79   2H2*    C   7          2H2'        C   7   7.677  -3.044  -3.756
  Start of MODEL   10
    1   1H5*    G   1          1H5'        G   1   5.219  -2.358  10.405
    2   2H5*    G   1          2H5'        G   1   4.172  -2.863   9.061
    3    H4*    G   1           H4'        G   1   6.550  -0.954   8.889
    4    H3*    G   1           H3'        G   1   4.164  -0.174   9.836
    5    H1*    G   1           H1'        G   1   4.594  -0.148   5.972
    6    H8     G   1           H8         G   1   2.318  -3.116   7.182
    7    H1     G   1           H1         G   1   3.691  -3.077   0.901
    8   1H2     G   1          H21         G   1   5.091  -1.404   0.448
    9   2H2     G   1          H22         G   1   5.561  -0.282   1.754
   10    H5T    G   1           H5T        G   1   6.220  -3.527   8.032
   11   1H2*    G   1          1H2'        G   1   2.784  -1.138   8.184
   12   2H2*    G   1          2H2'        G   1   2.946   0.496   7.489
   13   1H5*    C   2          1H5'        C   2   5.449   2.436   6.252
   14   2H5*    C   2          2H5'        C   2   5.223   4.157   6.629
   15    H4*    C   2           H4'        C   2   4.447   3.754   4.342
   16    H3*    C   2           H3'        C   2   2.622   4.764   6.347
   17    H1*    C   2           H1'        C   2   2.278   2.840   3.185
   18   1H4     C   2          H41         C   2  -0.165  -2.939   2.446
   19   2H4     C   2          H42         C   2  -0.463  -3.183   4.179
   20    H5     C   2           H5         C   2  -0.204  -1.314   5.779
   21    H6     C   2           H6         C   2   0.728   0.931   6.010
   22   1H2*    C   2          1H2'        C   2   1.188   2.944   6.029
   23   2H2*    C   2          2H2'        C   2   0.562   3.923   4.782
   24   1H5*    G   3          1H5'        G   3   2.163   4.826   1.846
   25   2H5*    G   3          2H5'        G   3   1.623   6.387   1.211
   26    H4*    G   3           H4'        G   3   0.725   4.490  -0.091
   27    H3*    G   3           H3'        G   3  -0.806   6.661   0.680
   28    H1*    G   3           H1'        G   3  -2.018   3.138   0.731
   29    H8     G   3           H8         G   3  -2.092   4.281   4.375
   30    H1     G   3           H1         G   3  -3.180  -1.994   3.472
   31   1H2     G   3          H21         G   3  -2.791  -2.445   1.208
   32   2H2     G   3          H22         G   3  -2.663  -1.079   0.116
   33   1H2*    G   3          1H2'        G   3  -1.715   5.535   2.590
   34   2H2*    G   3          2H2'        G   3  -2.988   5.252   1.376
   35   1H5*    A   4          1H5'        A   4  -2.399   3.127  -2.035
   36   2H5*    A   4          2H5'        A   4  -3.344   3.821  -3.359
   37    H4*    A   4           H4'        A   4  -4.121   1.550  -2.792
   38    H3*    A   4           H3'        A   4  -5.826   3.712  -3.193
   39    H1*    A   4           H1'        A   4  -6.237   1.010  -0.593
   40    H8     A   4           H8         A   4  -4.972   4.223   1.207
   41   1H6     A   4          H61         A   4  -5.536   0.646   6.246
   42   2H6     A   4          H62         A   4  -4.948   2.231   5.719
   43    H2     A   4           H2         A   4  -7.131  -1.566   2.999
   44   1H2*    A   4          1H2'        A   4  -6.219   4.063  -0.843
   45   2H2*    A   4          2H2'        A   4  -7.561   2.931  -1.230
   46   1H5*    A   5          1H5'        A   5  -7.021  -0.136  -6.531
   47   2H5*    A   5          2H5'        A   5  -6.271  -0.321  -4.934
   48    H4*    A   5           H4'        A   5  -4.769   0.926  -7.294
   49    H3*    A   5           H3'        A   5  -5.439  -1.806  -7.133
   50    H1*    A   5           H1'        A   5  -2.185  -0.347  -6.030
   51    H8     A   5           H8         A   5  -3.669  -1.889  -2.831
   52   1H6     A   5          H61         A   5   0.265   1.915   0.159
   53   2H6     A   5          H62         A   5  -1.063   0.797   0.440
   54    H2     A   5           H2         A   5   0.722   2.660  -4.064
   55   1H2*    A   5          1H2'        A   5  -4.489  -2.038  -4.950
   56   2H2*    A   5          2H2'        A   5  -3.117  -2.584  -5.965
   57   1H5*    G   6          1H5'        G   6  -1.181  -0.701  -8.191
   58   2H5*    G   6          2H5'        G   6  -0.322  -1.775  -9.310
   59    H4*    G   6           H4'        G   6   1.029  -1.056  -7.334
   60    H3*    G   6           H3'        G   6   0.480  -3.989  -7.741
   61    H1*    G   6           H1'        G   6   1.476  -1.583  -4.848
   62    H8     G   6           H8         G   6  -1.135  -4.546  -4.318
   63    H1     G   6           H1         G   6   1.063  -1.485   0.899
   64   1H2     G   6          H21         G   6   2.383   0.189   0.259
   65   2H2     G   6          H22         G   6   2.850   0.306  -1.445
   66   1H2*    G   6          1H2'        G   6   1.241  -4.466  -5.647
   67   2H2*    G   6          2H2'        G   6   2.599  -3.309  -5.783
   68   1H5*    C   7          1H5'        C   7   4.516  -1.821  -7.505
   69   2H5*    C   7          2H5'        C   7   5.891  -2.707  -8.190
   70    H4*    C   7           H4'        C   7   6.560  -1.643  -6.078
   71    H3*    C   7           H3'        C   7   6.252  -4.656  -5.949
   72    H1*    C   7           H1'        C   7   5.976  -1.868  -3.265
   73   1H4     C   7          H41         C   7   1.366  -6.039  -0.825
   74   2H4     C   7          H42         C   7   2.071  -5.066   0.481
   75    H5     C   7           H5         C   7   2.299  -5.904  -3.120
   76    H6     C   7           H6         C   7   3.905  -4.684  -4.527
   77    H3T    C   7           H3T        C   7   8.038  -3.879  -7.111
   78   1H2*    C   7          1H2'        C   7   6.616  -4.686  -3.724
   79   2H2*    C   7          2H2'        C   7   7.692  -3.265  -3.783
  Start of MODEL   11
    1   1H5*    G   1          1H5'        G   1   4.928  -2.105  10.796
    2   2H5*    G   1          2H5'        G   1   3.883  -2.741   9.504
    3    H4*    G   1           H4'        G   1   6.340  -0.960   9.135
    4    H3*    G   1           H3'        G   1   3.922  -0.022   9.929
    5    H1*    G   1           H1'        G   1   4.642  -0.314   6.168
    6    H8     G   1           H8         G   1   2.186  -3.184   7.301
    7    H1     G   1           H1         G   1   3.702  -3.110   1.051
    8   1H2     G   1          H21         G   1   5.115  -1.424   0.639
    9   2H2     G   1          H22         G   1   5.553  -0.319   1.972
   10    H5T    G   1           H5T        G   1   5.924  -3.607   8.619
   11   1H2*    G   1          1H2'        G   1   2.599  -1.093   8.272
   12   2H2*    G   1          2H2'        G   1   2.857   0.485   7.471
   13   1H5*    C   2          1H5'        C   2   5.525   2.332   6.195
   14   2H5*    C   2          2H5'        C   2   5.364   4.065   6.543
   15    H4*    C   2           H4'        C   2   4.710   3.697   4.221
   16    H3*    C   2           H3'        C   2   2.840   4.820   6.095
   17    H1*    C   2           H1'        C   2   2.469   2.838   2.979
   18   1H4     C   2          H41         C   2  -0.153  -2.881   2.329
   19   2H4     C   2          H42         C   2  -0.423  -3.091   4.074
   20    H5     C   2           H5         C   2  -0.074  -1.228   5.646
   21    H6     C   2           H6         C   2   0.934   0.984   5.851
   22   1H2*    C   2          1H2'        C   2   1.362   3.017   5.811
   23   2H2*    C   2          2H2'        C   2   0.791   3.995   4.516
   24   1H5*    G   3          1H5'        G   3   2.270   4.774   1.607
   25   2H5*    G   3          2H5'        G   3   1.727   6.323   0.942
   26    H4*    G   3           H4'        G   3   0.657   4.453  -0.214
   27    H3*    G   3           H3'        G   3  -0.786   6.633   0.722
   28    H1*    G   3           H1'        G   3  -1.964   3.123   0.807
   29    H8     G   3           H8         G   3  -1.877   4.176   4.465
   30    H1     G   3           H1         G   3  -3.224  -2.022   3.425
   31   1H2     G   3          H21         G   3  -2.937  -2.430   1.143
   32   2H2     G   3          H22         G   3  -2.702  -1.057   0.081
   33   1H2*    G   3          1H2'        G   3  -1.534   5.478   2.682
   34   2H2*    G   3          2H2'        G   3  -2.908   5.205   1.581
   35   1H5*    A   4          1H5'        A   4  -2.452   3.153  -2.051
   36   2H5*    A   4          2H5'        A   4  -3.449   3.901  -3.305
   37    H4*    A   4           H4'        A   4  -4.143   1.569  -2.865
   38    H3*    A   4           H3'        A   4  -5.908   3.700  -3.119
   39    H1*    A   4           H1'        A   4  -6.203   0.882  -0.585
   40    H8     A   4           H8         A   4  -4.771   4.023   1.165
   41   1H6     A   4          H61         A   4  -5.497   0.547   6.261
   42   2H6     A   4          H62         A   4  -4.830   2.096   5.714
   43    H2     A   4           H2         A   4  -7.270  -1.587   3.054
   44   1H2*    A   4          1H2'        A   4  -6.249   3.938  -0.750
   45   2H2*    A   4          2H2'        A   4  -7.569   2.791  -1.138
   46   1H5*    A   5          1H5'        A   5  -7.095  -0.168  -6.499
   47   2H5*    A   5          2H5'        A   5  -6.320  -0.343  -4.914
   48    H4*    A   5           H4'        A   5  -4.867   0.924  -7.298
   49    H3*    A   5           H3'        A   5  -5.499  -1.818  -7.131
   50    H1*    A   5           H1'        A   5  -2.242  -0.322  -6.065
   51    H8     A   5           H8         A   5  -3.689  -1.877  -2.853
   52   1H6     A   5          H61         A   5   0.269   1.926   0.103
   53   2H6     A   5          H62         A   5  -1.036   0.783   0.394
   54    H2     A   5           H2         A   5   0.637   2.725  -4.119
   55   1H2*    A   5          1H2'        A   5  -4.512  -2.043  -4.966
   56   2H2*    A   5          2H2'        A   5  -3.147  -2.565  -6.005
   57   1H5*    G   6          1H5'        G   6  -1.278  -0.634  -8.156
   58   2H5*    G   6          2H5'        G   6  -0.453  -1.633  -9.362
   59    H4*    G   6           H4'        G   6   1.005  -1.027  -7.450
   60    H3*    G   6           H3'        G   6   0.483  -3.838  -8.198
   61    H1*    G   6           H1'        G   6   1.597  -1.935  -4.996
   62    H8     G   6           H8         G   6  -1.312  -4.548  -4.384
   63    H1     G   6           H1         G   6   1.092  -1.474   0.740
   64   1H2     G   6          H21         G   6   2.390   0.187   0.046
   65   2H2     G   6          H22         G   6   2.826   0.270  -1.669
   66   1H2*    G   6          1H2'        G   6   0.456  -4.559  -6.061
   67   2H2*    G   6          2H2'        G   6   2.164  -4.075  -5.908
   68   1H5*    C   7          1H5'        C   7   4.561  -1.657  -7.362
   69   2H5*    C   7          2H5'        C   7   5.943  -2.538  -8.031
   70    H4*    C   7           H4'        C   7   6.590  -1.515  -5.909
   71    H3*    C   7           H3'        C   7   6.211  -4.522  -5.752
   72    H1*    C   7           H1'        C   7   5.931  -1.707  -3.107
   73   1H4     C   7          H41         C   7   1.341  -5.950  -0.775
   74   2H4     C   7          H42         C   7   2.058  -5.035   0.564
   75    H5     C   7           H5         C   7   2.235  -5.737  -3.037
   76    H6     C   7           H6         C   7   3.829  -4.467  -4.449
   77    H3T    C   7           H3T        C   7   7.997  -3.825  -6.957
   78   1H2*    C   7          1H2'        C   7   6.630  -4.508  -3.531
   79   2H2*    C   7          2H2'        C   7   7.690  -3.071  -3.649
  Start of MODEL   12
    1   1H5*    G   1          1H5'        G   1   4.950  -2.260  10.604
    2   2H5*    G   1          2H5'        G   1   3.896  -2.856   9.301
    3    H4*    G   1           H4'        G   1   6.435  -1.188   8.967
    4    H3*    G   1           H3'        G   1   4.048  -0.149   9.703
    5    H1*    G   1           H1'        G   1   4.830  -0.487   5.966
    6    H8     G   1           H8         G   1   2.333  -3.365   7.032
    7    H1     G   1           H1         G   1   3.636  -2.889   0.743
    8   1H2     G   1          H21         G   1   5.086  -1.218   0.411
    9   2H2     G   1          H22         G   1   5.578  -0.207   1.795
   10    H5T    G   1           H5T        G   1   5.912  -3.819   8.452
   11   1H2*    G   1          1H2'        G   1   2.711  -1.174   8.018
   12   2H2*    G   1          2H2'        G   1   3.055   0.391   7.221
   13   1H5*    C   2          1H5'        C   2   5.582   2.262   5.989
   14   2H5*    C   2          2H5'        C   2   5.436   3.988   6.377
   15    H4*    C   2           H4'        C   2   4.602   3.640   4.107
   16    H3*    C   2           H3'        C   2   2.845   4.696   6.153
   17    H1*    C   2           H1'        C   2   2.345   2.792   2.995
   18   1H4     C   2          H41         C   2  -0.301  -2.939   2.401
   19   2H4     C   2          H42         C   2  -0.468  -3.166   4.153
   20    H5     C   2           H5         C   2  -0.067  -1.322   5.727
   21    H6     C   2           H6         C   2   0.937   0.899   5.906
   22   1H2*    C   2          1H2'        C   2   1.359   2.921   5.877
   23   2H2*    C   2          2H2'        C   2   0.725   3.919   4.633
   24   1H5*    G   3          1H5'        G   3   2.122   4.889   1.702
   25   2H5*    G   3          2H5'        G   3   1.556   6.465   1.122
   26    H4*    G   3           H4'        G   3   0.513   4.601  -0.095
   27    H3*    G   3           H3'        G   3  -0.931   6.772   0.856
   28    H1*    G   3           H1'        G   3  -2.127   3.255   0.904
   29    H8     G   3           H8         G   3  -2.042   4.295   4.557
   30    H1     G   3           H1         G   3  -3.155  -1.955   3.513
   31   1H2     G   3          H21         G   3  -2.748  -2.318   1.220
   32   2H2     G   3          H22         G   3  -2.780  -0.920   0.172
   33   1H2*    G   3          1H2'        G   3  -1.694   5.599   2.801
   34   2H2*    G   3          2H2'        G   3  -3.064   5.332   1.684
   35   1H5*    A   4          1H5'        A   4  -2.462   3.395  -2.049
   36   2H5*    A   4          2H5'        A   4  -3.476   4.118  -3.305
   37    H4*    A   4           H4'        A   4  -4.061   1.733  -2.893
   38    H3*    A   4           H3'        A   4  -5.920   3.779  -3.182
   39    H1*    A   4           H1'        A   4  -6.126   0.957  -0.645
   40    H8     A   4           H8         A   4  -4.947   4.201   1.131
   41   1H6     A   4          H61         A   4  -5.524   0.636   6.205
   42   2H6     A   4          H62         A   4  -4.948   2.233   5.693
   43    H2     A   4           H2         A   4  -7.040  -1.605   2.943
   44   1H2*    A   4          1H2'        A   4  -6.332   4.004  -0.830
   45   2H2*    A   4          2H2'        A   4  -7.578   2.785  -1.241
   46   1H5*    A   5          1H5'        A   5  -6.967  -0.213  -6.557
   47   2H5*    A   5          2H5'        A   5  -6.204  -0.345  -4.964
   48    H4*    A   5           H4'        A   5  -4.744   0.849  -7.377
   49    H3*    A   5           H3'        A   5  -5.350  -1.877  -7.152
   50    H1*    A   5           H1'        A   5  -2.120  -0.393  -5.983
   51    H8     A   5           H8         A   5  -3.741  -1.795  -2.796
   52   1H6     A   5          H61         A   5   0.132   2.063   0.199
   53   2H6     A   5          H62         A   5  -1.197   0.942   0.481
   54    H2     A   5           H2         A   5   0.648   2.760  -4.020
   55   1H2*    A   5          1H2'        A   5  -4.478  -2.021  -4.923
   56   2H2*    A   5          2H2'        A   5  -3.078  -2.607  -5.875
   57   1H5*    G   6          1H5'        G   6  -1.017  -0.751  -7.983
   58   2H5*    G   6          2H5'        G   6  -0.238  -1.784  -9.192
   59    H4*    G   6           H4'        G   6   1.319  -1.272  -7.381
   60    H3*    G   6           H3'        G   6   0.812  -3.901  -8.250
   61    H1*    G   6           H1'        G   6   1.607  -2.706  -4.777
   62    H8     G   6           H8         G   6  -1.577  -4.773  -4.260
   63    H1     G   6           H1         G   6   0.747  -1.522   0.793
   64   1H2     G   6          H21         G   6   2.098   0.090   0.072
   65   2H2     G   6          H22         G   6   2.530   0.133  -1.644
   66   1H2*    G   6          1H2'        G   6  -0.418  -4.459  -6.284
   67   2H2*    G   6          2H2'        G   6   1.240  -4.924  -5.752
   68   1H5*    C   7          1H5'        C   7   4.862  -2.082  -7.691
   69   2H5*    C   7          2H5'        C   7   6.288  -3.042  -8.141
   70    H4*    C   7           H4'        C   7   6.859  -1.465  -6.322
   71    H3*    C   7           H3'        C   7   6.818  -4.393  -5.705
   72    H1*    C   7           H1'        C   7   5.962  -1.406  -3.321
   73   1H4     C   7          H41         C   7   1.426  -5.790  -1.180
   74   2H4     C   7          H42         C   7   2.076  -4.863   0.187
   75    H5     C   7           H5         C   7   2.349  -5.497  -3.418
   76    H6     C   7           H6         C   7   3.954  -4.189  -4.775
   77    H3T    C   7           H3T        C   7   9.044  -3.950  -5.452
   78   1H2*    C   7          1H2'        C   7   6.864  -4.147  -3.442
   79   2H2*    C   7          2H2'        C   7   7.832  -2.643  -3.573
  Start of MODEL   13
    1   1H5*    G   1          1H5'        G   1   4.853  -2.160  10.812
    2   2H5*    G   1          2H5'        G   1   3.820  -2.768   9.500
    3    H4*    G   1           H4'        G   1   6.314  -1.035   9.187
    4    H3*    G   1           H3'        G   1   3.909  -0.048   9.931
    5    H1*    G   1           H1'        G   1   4.671  -0.365   6.179
    6    H8     G   1           H8         G   1   2.182  -3.217   7.291
    7    H1     G   1           H1         G   1   3.697  -3.099   1.041
    8   1H2     G   1          H21         G   1   5.102  -1.407   0.639
    9   2H2     G   1          H22         G   1   5.545  -0.316   1.980
   10    H5T    G   1           H5T        G   1   5.863  -3.667   8.648
   11   1H2*    G   1          1H2'        G   1   2.596  -1.116   8.258
   12   2H2*    G   1          2H2'        G   1   2.877   0.458   7.457
   13   1H5*    C   2          1H5'        C   2   5.513   2.284   6.188
   14   2H5*    C   2          2H5'        C   2   5.356   4.019   6.530
   15    H4*    C   2           H4'        C   2   4.647   3.633   4.223
   16    H3*    C   2           H3'        C   2   2.817   4.766   6.142
   17    H1*    C   2           H1'        C   2   2.411   2.797   3.029
   18   1H4     C   2          H41         C   2  -0.157  -2.933   2.368
   19   2H4     C   2          H42         C   2  -0.435  -3.160   4.108
   20    H5     C   2           H5         C   2  -0.139  -1.271   5.683
   21    H6     C   2           H6         C   2   0.819   0.966   5.880
   22   1H2*    C   2          1H2'        C   2   1.317   2.976   5.867
   23   2H2*    C   2          2H2'        C   2   0.747   3.962   4.575
   24   1H5*    G   3          1H5'        G   3   2.285   4.734   1.636
   25   2H5*    G   3          2H5'        G   3   1.766   6.287   0.967
   26    H4*    G   3           H4'        G   3   0.727   4.403  -0.221
   27    H3*    G   3           H3'        G   3  -0.717   6.615   0.625
   28    H1*    G   3           H1'        G   3  -1.960   3.116   0.748
   29    H8     G   3           H8         G   3  -1.929   4.258   4.384
   30    H1     G   3           H1         G   3  -3.194  -1.983   3.495
   31   1H2     G   3          H21         G   3  -2.890  -2.438   1.220
   32   2H2     G   3          H22         G   3  -2.691  -1.084   0.127
   33   1H2*    G   3          1H2'        G   3  -1.545   5.512   2.587
   34   2H2*    G   3          2H2'        G   3  -2.886   5.233   1.442
   35   1H5*    A   4          1H5'        A   4  -2.415   3.113  -2.080
   36   2H5*    A   4          2H5'        A   4  -3.384   3.834  -3.373
   37    H4*    A   4           H4'        A   4  -4.139   1.538  -2.846
   38    H3*    A   4           H3'        A   4  -5.859   3.698  -3.188
   39    H1*    A   4           H1'        A   4  -6.224   0.975  -0.588
   40    H8     A   4           H8         A   4  -4.842   4.166   1.147
   41   1H6     A   4          H61         A   4  -5.461   0.690   6.257
   42   2H6     A   4          H62         A   4  -4.825   2.246   5.695
   43    H2     A   4           H2         A   4  -7.169  -1.514   3.054
   44   1H2*    A   4          1H2'        A   4  -6.208   4.027  -0.833
   45   2H2*    A   4          2H2'        A   4  -7.552   2.892  -1.196
   46   1H5*    A   5          1H5'        A   5  -7.125  -0.216  -6.473
   47   2H5*    A   5          2H5'        A   5  -6.354  -0.375  -4.883
   48    H4*    A   5           H4'        A   5  -4.879   0.820  -7.287
   49    H3*    A   5           H3'        A   5  -5.559  -1.911  -7.065
   50    H1*    A   5           H1'        A   5  -2.281  -0.434  -6.036
   51    H8     A   5           H8         A   5  -3.737  -1.919  -2.798
   52   1H6     A   5          H61         A   5   0.273   1.890   0.086
   53   2H6     A   5          H62         A   5  -1.050   0.776   0.406
   54    H2     A   5           H2         A   5   0.661   2.590  -4.148
   55   1H2*    A   5          1H2'        A   5  -4.567  -2.112  -4.901
   56   2H2*    A   5          2H2'        A   5  -3.209  -2.669  -5.932
   57   1H5*    G   6          1H5'        G   6  -1.369  -0.724  -8.169
   58   2H5*    G   6          2H5'        G   6  -0.512  -1.733  -9.345
   59    H4*    G   6           H4'        G   6   0.898  -0.993  -7.419
   60    H3*    G   6           H3'        G   6   0.523  -3.864  -8.097
   61    H1*    G   6           H1'        G   6   1.519  -1.766  -4.963
   62    H8     G   6           H8         G   6  -1.226  -4.580  -4.375
   63    H1     G   6           H1         G   6   1.070  -1.480   0.778
   64   1H2     G   6          H21         G   6   2.394   0.171   0.104
   65   2H2     G   6          H22         G   6   2.835   0.281  -1.609
   66   1H2*    G   6          1H2'        G   6   0.760  -4.538  -5.959
   67   2H2*    G   6          2H2'        G   6   2.370  -3.769  -5.884
   68   1H5*    C   7          1H5'        C   7   4.466  -1.498  -7.341
   69   2H5*    C   7          2H5'        C   7   5.892  -2.276  -8.057
   70    H4*    C   7           H4'        C   7   6.491  -1.329  -5.884
   71    H3*    C   7           H3'        C   7   6.252  -4.359  -5.859
   72    H1*    C   7           H1'        C   7   5.904  -1.636  -3.141
   73   1H4     C   7          H41         C   7   1.421  -5.992  -0.797
   74   2H4     C   7          H42         C   7   2.094  -5.049   0.546
   75    H5     C   7           H5         C   7   2.338  -5.790  -3.044
   76    H6     C   7           H6         C   7   3.922  -4.495  -4.448
   77    H3T    C   7           H3T        C   7   7.996  -3.507  -7.046
   78   1H2*    C   7          1H2'        C   7   6.655  -4.428  -3.644
   79   2H2*    C   7          2H2'        C   7   7.686  -2.963  -3.693
  Start of MODEL   14
    1   1H5*    G   1          1H5'        G   1   5.021  -2.221  10.685
    2   2H5*    G   1          2H5'        G   1   3.989  -2.813   9.365
    3    H4*    G   1           H4'        G   1   6.382  -0.935   9.103
    4    H3*    G   1           H3'        G   1   3.955  -0.109   9.946
    5    H1*    G   1           H1'        G   1   4.585  -0.234   6.135
    6    H8     G   1           H8         G   1   2.235  -3.179   7.278
    7    H1     G   1           H1         G   1   3.711  -3.093   1.024
    8   1H2     G   1          H21         G   1   5.100  -1.392   0.594
    9   2H2     G   1          H22         G   1   5.534  -0.275   1.916
   10    H5T    G   1           H5T        G   1   6.055  -3.559   8.424
   11   1H2*    G   1          1H2'        G   1   2.646  -1.150   8.273
   12   2H2*    G   1          2H2'        G   1   2.836   0.460   7.528
   13   1H5*    C   2          1H5'        C   2   5.474   2.341   6.303
   14   2H5*    C   2          2H5'        C   2   5.277   4.072   6.642
   15    H4*    C   2           H4'        C   2   4.667   3.661   4.313
   16    H3*    C   2           H3'        C   2   2.777   4.816   6.144
   17    H1*    C   2           H1'        C   2   2.443   2.797   3.053
   18   1H4     C   2          H41         C   2  -0.147  -2.921   2.414
   19   2H4     C   2          H42         C   2  -0.441  -3.135   4.157
   20    H5     C   2           H5         C   2  -0.136  -1.244   5.724
   21    H6     C   2           H6         C   2   0.840   0.989   5.912
   22   1H2*    C   2          1H2'        C   2   1.288   3.019   5.865
   23   2H2*    C   2          2H2'        C   2   0.752   3.979   4.538
   24   1H5*    G   3          1H5'        G   3   2.292   4.703   1.642
   25   2H5*    G   3          2H5'        G   3   1.782   6.251   0.942
   26    H4*    G   3           H4'        G   3   0.722   4.378  -0.220
   27    H3*    G   3           H3'        G   3  -0.710   6.589   0.650
   28    H1*    G   3           H1'        G   3  -1.953   3.089   0.767
   29    H8     G   3           H8         G   3  -1.924   4.211   4.394
   30    H1     G   3           H1         G   3  -3.230  -2.012   3.462
   31   1H2     G   3          H21         G   3  -2.925  -2.456   1.183
   32   2H2     G   3          H22         G   3  -2.696  -1.095   0.102
   33   1H2*    G   3          1H2'        G   3  -1.522   5.476   2.609
   34   2H2*    G   3          2H2'        G   3  -2.873   5.205   1.476
   35   1H5*    A   4          1H5'        A   4  -2.427   3.110  -2.091
   36   2H5*    A   4          2H5'        A   4  -3.402   3.855  -3.367
   37    H4*    A   4           H4'        A   4  -4.155   1.553  -2.878
   38    H3*    A   4           H3'        A   4  -5.876   3.717  -3.176
   39    H1*    A   4           H1'        A   4  -6.232   0.949  -0.614
   40    H8     A   4           H8         A   4  -4.801   4.103   1.141
   41   1H6     A   4          H61         A   4  -5.503   0.616   6.225
   42   2H6     A   4          H62         A   4  -4.842   2.170   5.684
   43    H2     A   4           H2         A   4  -7.239  -1.541   3.022
   44   1H2*    A   4          1H2'        A   4  -6.212   4.005  -0.808
   45   2H2*    A   4          2H2'        A   4  -7.559   2.884  -1.187
   46   1H5*    A   5          1H5'        A   5  -7.116  -0.158  -6.503
   47   2H5*    A   5          2H5'        A   5  -6.344  -0.326  -4.916
   48    H4*    A   5           H4'        A   5  -4.882   0.904  -7.305
   49    H3*    A   5           H3'        A   5  -5.541  -1.831  -7.123
   50    H1*    A   5           H1'        A   5  -2.274  -0.375  -6.055
   51    H8     A   5           H8         A   5  -3.742  -1.895  -2.838
   52   1H6     A   5          H61         A   5   0.284   1.862   0.095
   53   2H6     A   5          H62         A   5  -1.037   0.740   0.402
   54    H2     A   5           H2         A   5   0.671   2.619  -4.125
   55   1H2*    A   5          1H2'        A   5  -4.577  -2.050  -4.949
   56   2H2*    A   5          2H2'        A   5  -3.213  -2.604  -5.974
   57   1H5*    G   6          1H5'        G   6  -1.313  -0.680  -8.170
   58   2H5*    G   6          2H5'        G   6  -0.459  -1.714  -9.326
   59    H4*    G   6           H4'        G   6   0.921  -1.007  -7.361
   60    H3*    G   6           H3'        G   6   0.479  -3.894  -7.991
   61    H1*    G   6           H1'        G   6   1.474  -1.713  -4.930
   62    H8     G   6           H8         G   6  -1.291  -4.498  -4.332
   63    H1     G   6           H1         G   6   1.114  -1.491   0.824
   64   1H2     G   6          H21         G   6   2.426   0.167   0.145
   65   2H2     G   6          H22         G   6   2.862   0.277  -1.569
   66   1H2*    G   6          1H2'        G   6   0.835  -4.529  -5.857
   67   2H2*    G   6          2H2'        G   6   2.396  -3.663  -5.819
   68   1H5*    C   7          1H5'        C   7   4.454  -1.589  -7.364
   69   2H5*    C   7          2H5'        C   7   5.869  -2.386  -8.078
   70    H4*    C   7           H4'        C   7   6.494  -1.417  -5.921
   71    H3*    C   7           H3'        C   7   6.226  -4.443  -5.864
   72    H1*    C   7           H1'        C   7   5.916  -1.700  -3.167
   73   1H4     C   7          H41         C   7   1.412  -6.014  -0.771
   74   2H4     C   7          H42         C   7   2.098  -5.063   0.558
   75    H5     C   7           H5         C   7   2.334  -5.835  -3.034
   76    H6     C   7           H6         C   7   3.925  -4.561  -4.444
   77    H3T    C   7           H3T        C   7   7.974  -3.644  -7.065
   78   1H2*    C   7          1H2'        C   7   6.651  -4.492  -3.654
   79   2H2*    C   7          2H2'        C   7   7.683  -3.031  -3.721